data_17610 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17610 _Entry.PDB_ID 2LCF save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 17610 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 8 8 THR N N 2 124.188 124.188 119.005 5.183 17610 2 1 1 . 1 1 8 8 THR HA H 2 3.983 3.983 4.576 -0.593 17610 3 1 1 . 1 1 8 8 THR C C 2 171.971 171.971 172.754 -0.783 17610 4 1 1 . 1 1 8 8 THR CA C 2 63.551 63.551 61.192 2.359 17610 5 1 1 . 1 1 8 8 THR CB C 2 69.619 69.619 70.700 -1.081 17610 6 1 1 . 1 1 8 8 THR H H 2 8.667 8.667 8.412 0.255 17610 7 1 1 . 1 1 9 9 GLU N N 3 127.895 127.895 125.257 2.638 17610 8 1 1 . 1 1 9 9 GLU HA H 3 5.280 5.280 4.341 0.939 17610 9 1 1 . 1 1 9 9 GLU C C 3 175.089 175.089 175.084 0.005 17610 10 1 1 . 1 1 9 9 GLU CA C 3 53.636 53.636 56.038 -2.402 17610 11 1 1 . 1 1 9 9 GLU CB C 3 32.029 32.029 30.650 1.379 17610 12 1 1 . 1 1 9 9 GLU H H 3 8.316 8.316 8.532 -0.216 17610 13 1 1 . 1 1 10 10 TYR N N 4 123.375 123.375 125.820 -2.445 17610 14 1 1 . 1 1 10 10 TYR HA H 4 5.131 5.131 4.602 0.529 17610 15 1 1 . 1 1 10 10 TYR C C 4 174.621 174.621 174.958 -0.337 17610 16 1 1 . 1 1 10 10 TYR CA C 4 56.649 56.649 56.554 0.095 17610 17 1 1 . 1 1 10 10 TYR CB C 4 41.323 41.323 39.401 1.923 17610 18 1 1 . 1 1 10 10 TYR H H 4 8.739 8.739 8.408 0.331 17610 19 1 1 . 1 1 11 11 LYS N N 5 125.147 125.147 126.544 -1.397 17610 20 1 1 . 1 1 11 11 LYS HA H 5 5.168 5.168 4.481 0.687 17610 21 1 1 . 1 1 11 11 LYS C C 5 175.291 175.291 175.188 0.103 17610 22 1 1 . 1 1 11 11 LYS CA C 5 55.145 55.145 56.102 -0.957 17610 23 1 1 . 1 1 11 11 LYS CB C 5 32.225 32.225 31.663 0.562 17610 24 1 1 . 1 1 11 11 LYS H H 5 9.142 9.142 8.826 0.316 17610 25 1 1 . 1 1 12 12 LEU N N 6 127.306 127.306 126.871 0.435 17610 26 1 1 . 1 1 12 12 LEU HA H 6 4.970 4.970 4.338 0.632 17610 27 1 1 . 1 1 12 12 LEU C C 6 175.298 175.298 175.641 -0.343 17610 28 1 1 . 1 1 12 12 LEU CA C 6 52.743 52.743 54.166 -1.423 17610 29 1 1 . 1 1 12 12 LEU CB C 6 43.063 43.063 42.090 0.973 17610 30 1 1 . 1 1 12 12 LEU H H 6 9.150 9.150 8.694 0.456 17610 31 1 1 . 1 1 13 13 VAL N N 7 123.170 123.170 126.769 -3.599 17610 32 1 1 . 1 1 13 13 VAL HA H 7 4.827 4.827 4.098 0.729 17610 33 1 1 . 1 1 13 13 VAL C C 7 174.230 174.230 175.496 -1.266 17610 34 1 1 . 1 1 13 13 VAL CB C 7 34.048 34.048 30.670 3.378 17610 35 1 1 . 1 1 13 13 VAL H H 7 8.113 8.113 8.088 0.025 17610 36 1 1 . 1 1 14 14 VAL N N 8 129.854 129.854 128.296 1.558 17610 37 1 1 . 1 1 14 14 VAL HA H 8 4.669 4.669 4.228 0.441 17610 38 1 1 . 1 1 14 14 VAL C C 8 175.377 175.377 175.891 -0.514 17610 39 1 1 . 1 1 14 14 VAL CA C 8 61.935 61.935 61.287 0.648 17610 40 1 1 . 1 1 14 14 VAL CB C 8 32.496 32.496 31.990 0.506 17610 41 1 1 . 1 1 14 14 VAL H H 8 8.707 8.707 7.897 0.810 17610 42 1 1 . 1 1 15 15 VAL N N 9 121.835 121.835 116.070 5.765 17610 43 1 1 . 1 1 15 15 VAL HA H 9 4.616 4.616 4.541 0.075 17610 44 1 1 . 1 1 15 15 VAL C C 9 172.824 172.824 174.459 -1.635 17610 45 1 1 . 1 1 15 15 VAL CA C 9 58.963 58.963 59.073 -0.110 17610 46 1 1 . 1 1 15 15 VAL CB C 9 35.405 35.405 34.282 1.123 17610 47 1 1 . 1 1 15 15 VAL H H 9 9.107 9.107 8.046 1.061 17610 48 1 1 . 1 1 16 16 GLY N N 10 109.233 109.233 106.868 2.365 17610 49 1 1 . 1 1 16 16 GLY C C 10 172.504 172.504 173.434 -0.930 17610 50 1 1 . 1 1 16 16 GLY CA C 10 43.848 43.848 45.371 -1.523 17610 51 1 1 . 1 1 16 16 GLY H H 10 7.394 7.394 7.658 -0.264 17610 52 1 1 . 1 1 17 17 ALA N N 11 123.120 123.120 123.101 0.019 17610 53 1 1 . 1 1 17 17 ALA HA H 11 4.547 4.547 4.785 -0.238 17610 54 1 1 . 1 1 17 17 ALA C C 11 177.371 177.371 177.682 -0.311 17610 55 1 1 . 1 1 17 17 ALA CA C 11 52.236 52.236 53.802 -1.566 17610 56 1 1 . 1 1 17 17 ALA CB C 11 19.807 19.807 19.445 0.362 17610 57 1 1 . 1 1 17 17 ALA H H 11 9.054 9.054 8.881 0.173 17610 58 1 1 . 1 1 18 18 GLY N N 12 107.391 107.391 104.821 2.570 17610 59 1 1 . 1 1 18 18 GLY C C 12 176.858 176.858 174.690 2.168 17610 60 1 1 . 1 1 18 18 GLY CA C 12 46.465 46.465 45.071 1.394 17610 61 1 1 . 1 1 18 18 GLY H H 12 8.694 8.694 8.204 0.490 17610 62 1 1 . 1 1 19 19 GLY N N 13 114.596 114.596 108.727 5.869 17610 63 1 1 . 1 1 19 19 GLY C C 13 174.661 174.661 175.462 -0.801 17610 64 1 1 . 1 1 19 19 GLY CA C 13 46.545 46.545 44.554 1.991 17610 65 1 1 . 1 1 19 19 GLY H H 13 8.916 8.916 8.495 0.421 17610 66 1 1 . 1 1 20 20 VAL N N 14 113.376 113.376 114.921 -1.545 17610 67 1 1 . 1 1 20 20 VAL HA H 14 4.008 4.008 4.156 -0.148 17610 68 1 1 . 1 1 20 20 VAL C C 14 174.469 174.469 176.085 -1.616 17610 69 1 1 . 1 1 20 20 VAL CA C 14 62.825 62.825 61.222 1.603 17610 70 1 1 . 1 1 20 20 VAL CB C 14 31.740 31.740 31.734 0.006 17610 71 1 1 . 1 1 20 20 VAL H H 14 7.427 7.427 7.438 -0.011 17610 72 1 1 . 1 1 21 21 GLY N N 15 109.392 109.392 105.605 3.787 17610 73 1 1 . 1 1 21 21 GLY C C 15 173.254 173.254 175.542 -2.288 17610 74 1 1 . 1 1 21 21 GLY CA C 15 45.708 45.708 45.024 0.684 17610 75 1 1 . 1 1 21 21 GLY H H 15 8.388 8.388 8.223 0.165 17610 76 1 1 . 1 1 22 22 LYS N N 16 124.844 124.844 121.269 3.575 17610 77 1 1 . 1 1 22 22 LYS HA H 16 3.537 3.537 3.982 -0.445 17610 78 1 1 . 1 1 22 22 LYS C C 16 179.106 179.106 177.598 1.508 17610 79 1 1 . 1 1 22 22 LYS CA C 16 60.990 60.990 59.269 1.721 17610 80 1 1 . 1 1 22 22 LYS CB C 16 29.967 29.967 32.257 -2.290 17610 81 1 1 . 1 1 22 22 LYS H H 16 9.097 9.097 8.364 0.733 17610 82 1 1 . 1 1 23 23 SER N N 17 121.228 121.228 114.493 6.735 17610 83 1 1 . 1 1 23 23 SER HA H 17 4.292 4.292 4.343 -0.051 17610 84 1 1 . 1 1 23 23 SER C C 17 175.697 175.697 176.443 -0.746 17610 85 1 1 . 1 1 23 23 SER CA C 17 61.346 61.346 61.691 -0.345 17610 86 1 1 . 1 1 23 23 SER CB C 17 61.337 61.337 62.386 -1.049 17610 87 1 1 . 1 1 23 23 SER H H 17 9.546 9.546 8.856 0.690 17610 88 1 1 . 1 1 24 24 ALA N N 18 126.557 126.557 124.975 1.582 17610 89 1 1 . 1 1 24 24 ALA HA H 18 3.946 3.946 3.944 0.002 17610 90 1 1 . 1 1 24 24 ALA C C 18 181.834 181.834 179.553 2.281 17610 91 1 1 . 1 1 24 24 ALA CA C 18 54.587 54.587 54.511 0.076 17610 92 1 1 . 1 1 24 24 ALA CB C 18 18.539 18.539 18.216 0.323 17610 93 1 1 . 1 1 24 24 ALA H H 18 9.189 9.189 8.106 1.083 17610 94 1 1 . 1 1 25 25 LEU N N 19 121.712 121.712 118.279 3.433 17610 95 1 1 . 1 1 25 25 LEU HA H 19 3.878 3.878 4.090 -0.212 17610 96 1 1 . 1 1 25 25 LEU C C 19 177.485 177.485 179.402 -1.917 17610 97 1 1 . 1 1 25 25 LEU CA C 19 58.729 58.729 58.096 0.633 17610 98 1 1 . 1 1 25 25 LEU CB C 19 43.227 43.227 42.075 1.152 17610 99 1 1 . 1 1 25 25 LEU H H 19 8.817 8.817 8.335 0.482 17610 100 1 1 . 1 1 26 26 THR N N 20 118.148 118.148 116.708 1.440 17610 101 1 1 . 1 1 26 26 THR HA H 20 3.401 3.401 4.015 -0.614 17610 102 1 1 . 1 1 26 26 THR C C 20 175.714 175.714 176.763 -1.049 17610 103 1 1 . 1 1 26 26 THR CA C 20 68.122 68.122 67.021 1.101 17610 104 1 1 . 1 1 26 26 THR CB C 20 68.196 68.196 68.893 -0.697 17610 105 1 1 . 1 1 26 26 THR H H 20 7.517 7.517 7.606 -0.089 17610 106 1 1 . 1 1 27 27 ILE N N 21 121.987 121.987 119.988 1.999 17610 107 1 1 . 1 1 27 27 ILE HA H 21 3.302 3.302 3.480 -0.178 17610 108 1 1 . 1 1 27 27 ILE C C 21 175.380 175.380 177.887 -2.507 17610 109 1 1 . 1 1 27 27 ILE CA C 21 64.278 64.278 63.704 0.574 17610 110 1 1 . 1 1 27 27 ILE CB C 21 36.758 36.758 35.917 0.841 17610 111 1 1 . 1 1 27 27 ILE H H 21 8.950 8.950 8.125 0.825 17610 112 1 1 . 1 1 28 28 GLN N N 22 121.898 121.898 118.389 3.509 17610 113 1 1 . 1 1 28 28 GLN HA H 22 4.334 4.334 4.102 0.232 17610 114 1 1 . 1 1 28 28 GLN C C 22 179.058 179.058 178.857 0.201 17610 115 1 1 . 1 1 28 28 GLN CA C 22 58.796 58.796 58.381 0.415 17610 116 1 1 . 1 1 28 28 GLN CB C 22 29.752 29.752 28.702 1.050 17610 117 1 1 . 1 1 28 28 GLN H H 22 8.094 8.094 7.511 0.583 17610 118 1 1 . 1 1 29 29 LEU N N 23 121.426 121.426 119.767 1.659 17610 119 1 1 . 1 1 29 29 LEU HA H 23 3.765 3.765 3.974 -0.209 17610 120 1 1 . 1 1 29 29 LEU C C 23 178.155 178.155 177.555 0.600 17610 121 1 1 . 1 1 29 29 LEU CA C 23 58.304 58.304 56.397 1.907 17610 122 1 1 . 1 1 29 29 LEU CB C 23 40.637 40.637 40.608 0.029 17610 123 1 1 . 1 1 29 29 LEU H H 23 7.746 7.746 7.832 -0.086 17610 124 1 1 . 1 1 30 30 ILE N N 24 115.325 115.325 117.558 -2.233 17610 125 1 1 . 1 1 30 30 ILE HA H 24 3.697 3.697 3.932 -0.235 17610 126 1 1 . 1 1 30 30 ILE C C 24 177.421 177.421 177.390 0.031 17610 127 1 1 . 1 1 30 30 ILE CA C 24 62.050 62.050 62.260 -0.210 17610 128 1 1 . 1 1 30 30 ILE CB C 24 37.183 37.183 37.767 -0.585 17610 129 1 1 . 1 1 30 30 ILE H H 24 8.115 8.115 7.460 0.655 17610 130 1 1 . 1 1 31 31 GLN N N 25 117.213 117.213 117.219 -0.006 17610 131 1 1 . 1 1 31 31 GLN HA H 25 4.539 4.539 4.169 0.370 17610 132 1 1 . 1 1 31 31 GLN C C 25 176.149 176.149 175.706 0.443 17610 133 1 1 . 1 1 31 31 GLN CA C 25 55.234 55.234 56.441 -1.207 17610 134 1 1 . 1 1 31 31 GLN CB C 25 30.184 30.184 29.977 0.207 17610 135 1 1 . 1 1 31 31 GLN H H 25 8.887 8.887 7.708 1.179 17610 136 1 1 . 1 1 32 32 ASN N N 26 117.820 117.820 116.454 1.366 17610 137 1 1 . 1 1 32 32 ASN HA H 26 4.807 4.807 4.259 0.548 17610 138 1 1 . 1 1 32 32 ASN C C 26 174.051 174.051 173.382 0.669 17610 139 1 1 . 1 1 32 32 ASN CA C 26 54.310 54.310 54.200 0.110 17610 140 1 1 . 1 1 32 32 ASN CB C 26 37.184 37.184 36.450 0.734 17610 141 1 1 . 1 1 32 32 ASN H H 26 7.982 7.982 8.144 -0.162 17610 142 1 1 . 1 1 33 33 HIS N N 27 112.968 112.968 113.808 -0.840 17610 143 1 1 . 1 1 33 33 HIS HA H 27 4.889 4.889 4.742 0.147 17610 144 1 1 . 1 1 33 33 HIS C C 27 172.514 172.514 172.506 0.008 17610 145 1 1 . 1 1 33 33 HIS CA C 27 54.314 54.314 54.845 -0.531 17610 146 1 1 . 1 1 33 33 HIS CB C 27 32.616 32.616 30.680 1.936 17610 147 1 1 . 1 1 33 33 HIS H H 27 6.804 6.804 7.508 -0.704 17610 148 1 1 . 1 1 34 34 PHE N N 28 123.605 123.605 121.437 2.168 17610 149 1 1 . 1 1 34 34 PHE HA H 28 4.914 4.914 4.731 0.183 17610 150 1 1 . 1 1 34 34 PHE C C 28 174.641 174.641 175.484 -0.843 17610 151 1 1 . 1 1 34 34 PHE CA C 28 55.754 55.754 56.752 -0.998 17610 152 1 1 . 1 1 34 34 PHE CB C 28 40.573 40.573 40.626 -0.053 17610 153 1 1 . 1 1 34 34 PHE H H 28 8.462 8.462 8.526 -0.064 17610 154 1 1 . 1 1 35 35 VAL N N 29 126.695 126.695 122.943 3.752 17610 155 1 1 . 1 1 35 35 VAL HA H 29 3.911 3.911 3.755 0.156 17610 156 1 1 . 1 1 35 35 VAL C C 29 173.764 173.764 175.381 -1.617 17610 157 1 1 . 1 1 35 35 VAL CA C 29 61.275 61.275 63.245 -1.970 17610 158 1 1 . 1 1 35 35 VAL CB C 29 33.154 33.154 31.332 1.822 17610 159 1 1 . 1 1 35 35 VAL H H 29 7.537 7.537 7.889 -0.352 17610 160 1 1 . 1 1 36 36 ASP N N 30 123.271 123.271 126.720 -3.449 17610 161 1 1 . 1 1 36 36 ASP HA H 30 4.185 4.185 4.705 -0.520 17610 162 1 1 . 1 1 36 36 ASP C C 30 176.129 176.129 175.927 0.202 17610 163 1 1 . 1 1 36 36 ASP CA C 30 54.662 54.662 54.700 -0.038 17610 164 1 1 . 1 1 36 36 ASP CB C 30 41.323 41.323 41.569 -0.246 17610 165 1 1 . 1 1 36 36 ASP H H 30 7.618 7.618 8.946 -1.328 17610 166 1 1 . 1 1 37 37 GLU N N 31 119.730 119.730 117.142 2.588 17610 167 1 1 . 1 1 37 37 GLU HA H 31 4.262 4.262 4.410 -0.148 17610 168 1 1 . 1 1 37 37 GLU C C 31 174.901 174.901 175.528 -0.627 17610 169 1 1 . 1 1 37 37 GLU CA C 31 56.137 56.137 56.139 -0.002 17610 170 1 1 . 1 1 37 37 GLU CB C 31 30.459 30.459 29.506 0.953 17610 171 1 1 . 1 1 37 37 GLU H H 31 7.857 7.857 8.092 -0.235 17610 172 1 1 . 1 1 38 38 TYR N N 32 123.296 123.296 119.678 3.618 17610 173 1 1 . 1 1 38 38 TYR HA H 32 4.486 4.486 4.731 -0.245 17610 174 1 1 . 1 1 38 38 TYR C C 32 174.370 174.370 175.347 -0.977 17610 175 1 1 . 1 1 38 38 TYR CA C 32 57.511 57.511 56.102 1.409 17610 176 1 1 . 1 1 38 38 TYR CB C 32 39.199 39.199 38.740 0.459 17610 177 1 1 . 1 1 38 38 TYR H H 32 8.244 8.244 7.981 0.263 17610 178 1 1 . 1 1 39 39 ASP N N 33 127.452 127.452 121.109 6.343 17610 179 1 1 . 1 1 39 39 ASP HA H 33 4.891 4.891 4.621 0.270 17610 180 1 1 . 1 1 39 39 ASP CA C 33 51.207 51.207 54.052 -2.845 17610 181 1 1 . 1 1 39 39 ASP CB C 33 41.837 41.837 41.123 0.714 17610 182 1 1 . 1 1 39 39 ASP H H 33 8.158 8.158 8.432 -0.274 17610 183 1 1 . 1 1 40 40 PRO HA H 34 4.405 4.405 4.111 0.294 17610 184 1 1 . 1 1 40 40 PRO C C 34 176.938 176.938 176.124 0.814 17610 185 1 1 . 1 1 40 40 PRO CA C 34 63.068 63.068 62.723 0.345 17610 186 1 1 . 1 1 40 40 PRO CB C 34 32.089 32.089 30.349 1.740 17610 187 1 1 . 1 1 41 41 SER N N 35 117.575 117.575 117.664 -0.089 17610 188 1 1 . 1 1 41 41 SER HA H 35 4.433 4.433 3.959 0.474 17610 189 1 1 . 1 1 41 41 SER C C 35 174.777 174.777 172.851 1.926 17610 190 1 1 . 1 1 41 41 SER CA C 35 58.346 58.346 59.082 -0.736 17610 191 1 1 . 1 1 41 41 SER CB C 35 63.704 63.704 63.440 0.264 17610 192 1 1 . 1 1 41 41 SER H H 35 8.495 8.495 7.883 0.612 17610 193 1 1 . 1 1 42 42 ILE N N 36 123.018 123.018 121.426 1.592 17610 194 1 1 . 1 1 42 42 ILE HA H 36 4.219 4.219 4.430 -0.211 17610 195 1 1 . 1 1 42 42 ILE C C 36 175.966 175.966 173.983 1.983 17610 196 1 1 . 1 1 42 42 ILE CA C 36 61.665 61.665 59.599 2.066 17610 197 1 1 . 1 1 42 42 ILE CB C 36 38.745 38.745 39.686 -0.941 17610 198 1 1 . 1 1 42 42 ILE H H 36 7.919 7.919 8.110 -0.191 17610 199 1 1 . 1 1 43 43 GLU N N 37 124.699 124.699 118.731 5.968 17610 200 1 1 . 1 1 43 43 GLU HA H 37 4.381 4.381 4.055 0.326 17610 201 1 1 . 1 1 43 43 GLU C C 37 179.069 179.069 176.252 2.817 17610 202 1 1 . 1 1 43 43 GLU CA C 37 56.223 56.223 57.036 -0.813 17610 203 1 1 . 1 1 43 43 GLU CB C 37 30.616 30.616 29.838 0.778 17610 204 1 1 . 1 1 43 43 GLU H H 37 8.201 8.201 8.428 -0.227 17610 205 1 1 . 1 1 44 44 ASP N N 38 121.902 121.902 120.037 1.865 17610 206 1 1 . 1 1 44 44 ASP HA H 38 4.622 4.622 4.449 0.173 17610 207 1 1 . 1 1 44 44 ASP C C 38 174.634 174.634 175.321 -0.687 17610 208 1 1 . 1 1 44 44 ASP CA C 38 54.095 54.095 53.950 0.145 17610 209 1 1 . 1 1 44 44 ASP CB C 38 41.837 41.837 38.695 3.142 17610 210 1 1 . 1 1 44 44 ASP H H 38 8.094 8.094 8.033 0.061 17610 211 1 1 . 1 1 45 45 SER N N 39 114.779 114.779 114.652 0.127 17610 212 1 1 . 1 1 45 45 SER HA H 39 4.923 4.923 4.279 0.644 17610 213 1 1 . 1 1 45 45 SER C C 39 173.339 173.339 173.915 -0.576 17610 214 1 1 . 1 1 45 45 SER CA C 39 57.023 57.023 58.627 -1.604 17610 215 1 1 . 1 1 45 45 SER CB C 39 64.751 64.751 64.174 0.577 17610 216 1 1 . 1 1 45 45 SER H H 39 7.792 7.792 7.833 -0.041 17610 217 1 1 . 1 1 46 46 TYR N N 40 124.235 124.235 119.394 4.841 17610 218 1 1 . 1 1 46 46 TYR HA H 40 4.662 4.662 4.680 -0.018 17610 219 1 1 . 1 1 46 46 TYR C C 40 173.910 173.910 174.068 -0.158 17610 220 1 1 . 1 1 46 46 TYR CA C 40 56.944 56.944 56.242 0.702 17610 221 1 1 . 1 1 46 46 TYR CB C 40 41.323 41.323 41.656 -0.333 17610 222 1 1 . 1 1 46 46 TYR H H 40 8.976 8.976 8.002 0.974 17610 223 1 1 . 1 1 47 47 ARG N N 41 121.906 121.906 118.707 3.199 17610 224 1 1 . 1 1 47 47 ARG HA H 41 5.802 5.802 5.126 0.676 17610 225 1 1 . 1 1 47 47 ARG C C 41 176.150 176.150 174.721 1.429 17610 226 1 1 . 1 1 47 47 ARG CA C 41 54.129 54.129 54.786 -0.657 17610 227 1 1 . 1 1 47 47 ARG CB C 41 34.105 34.105 32.742 1.363 17610 228 1 1 . 1 1 47 47 ARG H H 41 8.238 8.238 8.527 -0.289 17610 229 1 1 . 1 1 48 48 LYS N N 42 123.924 123.924 123.998 -0.074 17610 230 1 1 . 1 1 48 48 LYS HA H 42 4.508 4.508 4.516 -0.008 17610 231 1 1 . 1 1 48 48 LYS C C 42 173.710 173.710 174.976 -1.266 17610 232 1 1 . 1 1 48 48 LYS CA C 42 55.651 55.651 54.557 1.094 17610 233 1 1 . 1 1 48 48 LYS CB C 42 38.139 38.139 35.613 2.526 17610 234 1 1 . 1 1 48 48 LYS H H 42 8.705 8.705 8.545 0.160 17610 235 1 1 . 1 1 49 49 GLN N N 43 130.301 130.301 125.391 4.910 17610 236 1 1 . 1 1 49 49 GLN HA H 43 5.230 5.230 4.684 0.546 17610 237 1 1 . 1 1 49 49 GLN C C 43 175.254 175.254 175.017 0.237 17610 238 1 1 . 1 1 49 49 GLN CA C 43 55.496 55.496 55.517 -0.021 17610 239 1 1 . 1 1 49 49 GLN CB C 43 29.892 29.892 29.366 0.525 17610 240 1 1 . 1 1 49 49 GLN H H 43 8.897 8.897 8.600 0.297 17610 241 1 1 . 1 1 50 50 VAL N N 44 122.354 122.354 120.718 1.636 17610 242 1 1 . 1 1 50 50 VAL HA H 44 4.772 4.772 4.705 0.067 17610 243 1 1 . 1 1 50 50 VAL C C 44 173.116 173.116 173.302 -0.186 17610 244 1 1 . 1 1 50 50 VAL CA C 44 59.238 59.238 59.464 -0.226 17610 245 1 1 . 1 1 50 50 VAL CB C 44 35.888 35.888 35.229 0.659 17610 246 1 1 . 1 1 50 50 VAL H H 44 9.104 9.104 8.868 0.236 17610 247 1 1 . 1 1 51 51 VAL N N 45 122.385 122.385 120.621 1.764 17610 248 1 1 . 1 1 51 51 VAL HA H 45 4.462 4.462 4.495 -0.033 17610 249 1 1 . 1 1 51 51 VAL C C 45 175.450 175.450 175.236 0.214 17610 250 1 1 . 1 1 51 51 VAL CA C 45 61.832 61.832 60.425 1.407 17610 251 1 1 . 1 1 51 51 VAL CB C 45 32.228 32.228 33.286 -1.058 17610 252 1 1 . 1 1 51 51 VAL H H 45 8.100 8.100 8.398 -0.298 17610 253 1 1 . 1 1 52 52 ILE N N 46 126.953 126.953 129.882 -2.929 17610 254 1 1 . 1 1 52 52 ILE HA H 46 3.995 3.995 3.929 0.066 17610 255 1 1 . 1 1 52 52 ILE C C 46 176.424 176.424 175.602 0.822 17610 256 1 1 . 1 1 52 52 ILE CA C 46 60.343 60.343 59.870 0.472 17610 257 1 1 . 1 1 52 52 ILE CB C 46 40.096 40.096 35.870 4.226 17610 258 1 1 . 1 1 52 52 ILE H H 46 8.118 8.118 8.371 -0.253 17610 259 1 1 . 1 1 53 53 ASP N N 47 132.206 132.206 127.244 4.962 17610 260 1 1 . 1 1 53 53 ASP HA H 47 4.267 4.267 4.281 -0.014 17610 261 1 1 . 1 1 53 53 ASP C C 47 176.121 176.121 176.107 0.014 17610 262 1 1 . 1 1 53 53 ASP CA C 47 55.267 55.267 55.094 0.173 17610 263 1 1 . 1 1 53 53 ASP CB C 47 39.203 39.203 40.204 -1.001 17610 264 1 1 . 1 1 53 53 ASP H H 47 9.605 9.605 8.543 1.062 17610 265 1 1 . 1 1 54 54 GLY N N 48 104.275 104.275 104.713 -0.438 17610 266 1 1 . 1 1 54 54 GLY C C 48 173.219 173.219 173.392 -0.173 17610 267 1 1 . 1 1 54 54 GLY CA C 48 45.318 45.318 45.327 -0.009 17610 268 1 1 . 1 1 54 54 GLY H H 48 8.332 8.332 8.152 0.180 17610 269 1 1 . 1 1 55 55 GLU N N 49 123.384 123.384 119.887 3.497 17610 270 1 1 . 1 1 55 55 GLU HA H 49 4.691 4.691 4.614 0.077 17610 271 1 1 . 1 1 55 55 GLU C C 49 175.614 175.614 175.310 0.304 17610 272 1 1 . 1 1 55 55 GLU CA C 49 54.719 54.719 54.063 0.656 17610 273 1 1 . 1 1 55 55 GLU CB C 49 31.803 31.803 30.905 0.898 17610 274 1 1 . 1 1 55 55 GLU H H 49 7.684 7.684 8.153 -0.469 17610 275 1 1 . 1 1 56 56 THR N N 50 127.153 127.153 123.101 4.052 17610 276 1 1 . 1 1 56 56 THR HA H 50 4.727 4.727 4.461 0.266 17610 277 1 1 . 1 1 56 56 THR C C 50 173.530 173.530 174.326 -0.796 17610 278 1 1 . 1 1 56 56 THR CA C 50 63.521 63.521 64.674 -1.153 17610 279 1 1 . 1 1 56 56 THR CB C 50 68.478 68.478 68.754 -0.276 17610 280 1 1 . 1 1 56 56 THR H H 50 8.951 8.951 8.764 0.187 17610 281 1 1 . 1 1 57 57 CYS N N 51 124.835 124.835 124.841 -0.006 17610 282 1 1 . 1 1 57 57 CYS HA H 51 5.086 5.086 5.117 -0.031 17610 283 1 1 . 1 1 57 57 CYS C C 51 170.937 170.937 172.987 -2.050 17610 284 1 1 . 1 1 57 57 CYS CA C 51 56.423 56.423 58.084 -1.661 17610 285 1 1 . 1 1 57 57 CYS CB C 51 31.549 31.549 32.158 -0.609 17610 286 1 1 . 1 1 57 57 CYS H H 51 9.424 9.424 9.217 0.207 17610 287 1 1 . 1 1 58 58 LEU N N 52 123.111 123.111 121.991 1.120 17610 288 1 1 . 1 1 58 58 LEU HA H 52 4.943 4.943 4.661 0.282 17610 289 1 1 . 1 1 58 58 LEU C C 52 175.044 175.044 175.774 -0.730 17610 290 1 1 . 1 1 58 58 LEU CA C 52 53.372 53.372 54.453 -1.081 17610 291 1 1 . 1 1 58 58 LEU CB C 52 44.304 44.304 43.392 0.912 17610 292 1 1 . 1 1 58 58 LEU H H 52 8.803 8.803 8.813 -0.010 17610 293 1 1 . 1 1 59 59 LEU N N 53 124.540 124.540 124.293 0.247 17610 294 1 1 . 1 1 59 59 LEU HA H 53 4.888 4.888 4.850 0.038 17610 295 1 1 . 1 1 59 59 LEU C C 53 174.358 174.358 175.240 -0.882 17610 296 1 1 . 1 1 59 59 LEU CA C 53 53.490 53.490 53.834 -0.344 17610 297 1 1 . 1 1 59 59 LEU CB C 53 42.195 42.195 43.187 -0.992 17610 298 1 1 . 1 1 59 59 LEU H H 53 9.054 9.054 9.157 -0.103 17610 299 1 1 . 1 1 60 60 ASP N N 54 126.666 126.666 125.635 1.031 17610 300 1 1 . 1 1 60 60 ASP HA H 54 5.225 5.225 4.959 0.266 17610 301 1 1 . 1 1 60 60 ASP C C 54 174.846 174.846 175.550 -0.704 17610 302 1 1 . 1 1 60 60 ASP CA C 54 53.040 53.040 53.577 -0.537 17610 303 1 1 . 1 1 60 60 ASP CB C 54 42.622 42.622 40.395 2.227 17610 304 1 1 . 1 1 60 60 ASP H H 54 8.739 8.739 8.498 0.241 17610 305 1 1 . 1 1 61 61 ILE N N 55 125.100 125.100 124.867 0.233 17610 306 1 1 . 1 1 61 61 ILE HA H 55 4.690 4.690 4.383 0.307 17610 307 1 1 . 1 1 61 61 ILE C C 55 174.745 174.745 175.073 -0.328 17610 308 1 1 . 1 1 61 61 ILE CA C 55 60.331 60.331 60.474 -0.143 17610 309 1 1 . 1 1 61 61 ILE CB C 55 39.682 39.682 38.268 1.414 17610 310 1 1 . 1 1 61 61 ILE H H 55 9.115 9.115 7.985 1.130 17610 311 1 1 . 1 1 62 62 LEU N N 56 131.208 131.208 129.559 1.649 17610 312 1 1 . 1 1 62 62 LEU HA H 56 4.667 4.667 4.527 0.140 17610 313 1 1 . 1 1 62 62 LEU C C 56 174.063 174.063 174.605 -0.542 17610 314 1 1 . 1 1 62 62 LEU CA C 56 53.795 53.795 54.129 -0.334 17610 315 1 1 . 1 1 62 62 LEU CB C 56 42.256 42.256 44.495 -2.239 17610 316 1 1 . 1 1 62 62 LEU H H 56 9.014 9.014 8.754 0.260 17610 317 1 1 . 1 1 63 63 ASP N N 57 128.415 128.415 125.262 3.153 17610 318 1 1 . 1 1 63 63 ASP HA H 57 4.783 4.783 4.789 -0.006 17610 319 1 1 . 1 1 63 63 ASP C C 57 176.341 176.341 175.581 0.760 17610 320 1 1 . 1 1 63 63 ASP CA C 57 52.988 52.988 52.425 0.563 17610 321 1 1 . 1 1 63 63 ASP CB C 57 41.837 41.837 41.331 0.506 17610 322 1 1 . 1 1 63 63 ASP H H 57 8.657 8.657 8.449 0.208 17610 323 1 1 . 1 1 64 64 THR N N 58 114.950 114.950 114.582 0.368 17610 324 1 1 . 1 1 64 64 THR HA H 58 4.425 4.425 4.240 0.185 17610 325 1 1 . 1 1 64 64 THR C C 58 172.734 172.734 174.894 -2.160 17610 326 1 1 . 1 1 64 64 THR CA C 58 61.488 61.488 60.635 0.853 17610 327 1 1 . 1 1 64 64 THR CB C 58 71.398 71.398 69.825 1.573 17610 328 1 1 . 1 1 64 64 THR H H 58 7.369 7.369 8.000 -0.631 17610 329 1 1 . 1 1 65 65 ALA N N 59 123.940 123.940 120.821 3.119 17610 330 1 1 . 1 1 65 65 ALA HA H 59 4.764 4.764 4.490 0.274 17610 331 1 1 . 1 1 65 65 ALA C C 59 179.480 179.480 178.019 1.461 17610 332 1 1 . 1 1 65 65 ALA CA C 59 51.422 51.422 51.171 0.251 17610 333 1 1 . 1 1 65 65 ALA CB C 59 20.796 20.796 20.143 0.652 17610 334 1 1 . 1 1 65 65 ALA H H 59 8.329 8.329 8.388 -0.059 17610 335 1 1 . 1 1 66 66 GLY N N 60 112.527 112.527 106.629 5.898 17610 336 1 1 . 1 1 66 66 GLY C C 60 174.938 174.938 173.982 0.956 17610 337 1 1 . 1 1 66 66 GLY CA C 60 46.057 46.057 44.742 1.315 17610 338 1 1 . 1 1 66 66 GLY H H 60 9.397 9.397 8.289 1.108 17610 339 1 1 . 1 1 67 67 GLN N N 61 120.877 120.877 120.698 0.179 17610 340 1 1 . 1 1 67 67 GLN HA H 61 4.422 4.422 4.087 0.335 17610 341 1 1 . 1 1 67 67 GLN C C 61 176.298 176.298 175.289 1.009 17610 342 1 1 . 1 1 67 67 GLN CA C 61 56.355 56.355 56.657 -0.302 17610 343 1 1 . 1 1 67 67 GLN CB C 61 29.438 29.438 27.360 2.078 17610 344 1 1 . 1 1 67 67 GLN H H 61 8.237 8.237 8.232 0.005 17610 345 1 1 . 1 1 68 68 GLU N N 62 123.751 123.751 121.336 2.415 17610 346 1 1 . 1 1 68 68 GLU HA H 62 4.208 4.208 4.455 -0.247 17610 347 1 1 . 1 1 68 68 GLU C C 62 177.032 177.032 176.020 1.012 17610 348 1 1 . 1 1 68 68 GLU CA C 62 57.801 57.801 56.194 1.607 17610 349 1 1 . 1 1 68 68 GLU CB C 62 29.834 29.834 30.207 -0.373 17610 350 1 1 . 1 1 68 68 GLU H H 62 8.738 8.738 8.336 0.402 17610 351 1 1 . 1 1 69 69 GLU N N 63 121.861 121.861 118.291 3.570 17610 352 1 1 . 1 1 69 69 GLU HA H 63 4.228 4.228 4.030 0.198 17610 353 1 1 . 1 1 69 69 GLU C C 63 176.145 176.145 174.684 1.461 17610 354 1 1 . 1 1 69 69 GLU CA C 63 57.026 57.026 57.035 -0.009 17610 355 1 1 . 1 1 69 69 GLU CB C 63 30.231 30.231 29.087 1.144 17610 356 1 1 . 1 1 69 69 GLU H H 63 8.607 8.607 8.543 0.064 17610 357 1 1 . 1 1 70 70 TYR N N 64 121.801 121.801 120.162 1.639 17610 358 1 1 . 1 1 70 70 TYR HA H 64 4.587 4.587 4.553 0.034 17610 359 1 1 . 1 1 70 70 TYR C C 64 175.965 175.965 175.025 0.940 17610 360 1 1 . 1 1 70 70 TYR CA C 64 58.160 58.160 57.590 0.570 17610 361 1 1 . 1 1 70 70 TYR CB C 64 38.288 38.288 38.672 -0.385 17610 362 1 1 . 1 1 70 70 TYR H H 64 8.225 8.225 8.236 -0.011 17610 363 1 1 . 1 1 71 71 SER N N 65 120.137 120.137 118.053 2.084 17610 364 1 1 . 1 1 71 71 SER HA H 65 4.269 4.269 4.157 0.112 17610 365 1 1 . 1 1 71 71 SER C C 65 174.912 174.912 176.137 -1.225 17610 366 1 1 . 1 1 71 71 SER CA C 65 58.755 58.755 60.501 -1.746 17610 367 1 1 . 1 1 71 71 SER CB C 65 63.755 63.755 63.059 0.696 17610 368 1 1 . 1 1 71 71 SER H H 65 7.884 7.884 8.393 -0.509 17610 369 1 1 . 1 1 72 72 ALA N N 66 127.848 127.848 123.837 4.011 17610 370 1 1 . 1 1 72 72 ALA HA H 66 4.193 4.193 4.154 0.039 17610 371 1 1 . 1 1 72 72 ALA C C 66 179.820 179.820 179.241 0.579 17610 372 1 1 . 1 1 72 72 ALA CA C 66 54.595 54.595 54.703 -0.108 17610 373 1 1 . 1 1 72 72 ALA CB C 66 18.264 18.264 18.277 -0.014 17610 374 1 1 . 1 1 72 72 ALA H H 66 8.706 8.706 8.315 0.391 17610 375 1 1 . 1 1 73 73 MET N N 67 118.448 118.448 115.855 2.593 17610 376 1 1 . 1 1 73 73 MET HA H 67 4.271 4.271 4.097 0.174 17610 377 1 1 . 1 1 73 73 MET C C 67 177.098 177.098 178.025 -0.927 17610 378 1 1 . 1 1 73 73 MET CA C 67 56.915 56.915 56.205 0.710 17610 379 1 1 . 1 1 73 73 MET CB C 67 32.031 32.031 31.611 0.420 17610 380 1 1 . 1 1 73 73 MET H H 67 8.007 8.007 7.646 0.361 17610 381 1 1 . 1 1 74 74 ARG N N 68 121.351 121.351 121.070 0.281 17610 382 1 1 . 1 1 74 74 ARG HA H 68 3.793 3.793 4.031 -0.238 17610 383 1 1 . 1 1 74 74 ARG C C 68 177.730 177.730 178.483 -0.753 17610 384 1 1 . 1 1 74 74 ARG CA C 68 59.093 59.093 60.176 -1.083 17610 385 1 1 . 1 1 74 74 ARG CB C 68 30.118 30.118 29.887 0.231 17610 386 1 1 . 1 1 74 74 ARG H H 68 7.761 7.761 7.571 0.190 17610 387 1 1 . 1 1 75 75 ASP N N 69 119.938 119.938 117.381 2.557 17610 388 1 1 . 1 1 75 75 ASP HA H 69 4.286 4.286 4.510 -0.224 17610 389 1 1 . 1 1 75 75 ASP C C 69 177.998 177.998 178.290 -0.292 17610 390 1 1 . 1 1 75 75 ASP CA C 69 57.555 57.555 57.110 0.445 17610 391 1 1 . 1 1 75 75 ASP CB C 69 40.401 40.401 40.435 -0.034 17610 392 1 1 . 1 1 75 75 ASP H H 69 8.077 8.077 7.803 0.274 17610 393 1 1 . 1 1 76 76 GLN N N 70 119.151 119.151 119.919 -0.768 17610 394 1 1 . 1 1 76 76 GLN HA H 70 4.050 4.050 4.069 -0.019 17610 395 1 1 . 1 1 76 76 GLN C C 70 178.837 178.837 177.845 0.992 17610 396 1 1 . 1 1 76 76 GLN CA C 70 58.920 58.920 58.015 0.905 17610 397 1 1 . 1 1 76 76 GLN CB C 70 28.063 28.063 28.048 0.015 17610 398 1 1 . 1 1 76 76 GLN H H 70 7.789 7.789 7.518 0.271 17610 399 1 1 . 1 1 77 77 TYR N N 71 119.847 119.847 117.965 1.882 17610 400 1 1 . 1 1 77 77 TYR HA H 71 4.548 4.548 4.555 -0.007 17610 401 1 1 . 1 1 77 77 TYR C C 71 178.680 178.680 179.010 -0.330 17610 402 1 1 . 1 1 77 77 TYR CA C 71 58.785 58.785 59.129 -0.344 17610 403 1 1 . 1 1 77 77 TYR CB C 71 36.986 36.986 38.084 -1.098 17610 404 1 1 . 1 1 77 77 TYR H H 71 8.131 8.131 7.540 0.591 17610 405 1 1 . 1 1 78 78 MET N N 72 119.987 119.987 118.721 1.266 17610 406 1 1 . 1 1 78 78 MET HA H 72 4.402 4.402 4.412 -0.010 17610 407 1 1 . 1 1 78 78 MET C C 72 177.008 177.008 178.788 -1.780 17610 408 1 1 . 1 1 78 78 MET CA C 72 59.028 59.028 59.954 -0.926 17610 409 1 1 . 1 1 78 78 MET CB C 72 32.709 32.709 32.228 0.481 17610 410 1 1 . 1 1 78 78 MET H H 72 8.380 8.380 8.522 -0.142 17610 411 1 1 . 1 1 79 79 ARG N N 73 117.792 117.792 115.560 2.232 17610 412 1 1 . 1 1 79 79 ARG HA H 73 3.914 3.914 4.219 -0.305 17610 413 1 1 . 1 1 79 79 ARG C C 73 178.169 178.169 177.659 0.510 17610 414 1 1 . 1 1 79 79 ARG CA C 73 59.493 59.493 58.680 0.813 17610 415 1 1 . 1 1 79 79 ARG CB C 73 30.100 30.100 30.448 -0.348 17610 416 1 1 . 1 1 79 79 ARG H H 73 7.992 7.992 7.739 0.253 17610 417 1 1 . 1 1 80 80 THR N N 74 110.012 110.012 108.826 1.186 17610 418 1 1 . 1 1 80 80 THR HA H 74 4.242 4.242 4.459 -0.217 17610 419 1 1 . 1 1 80 80 THR C C 74 175.640 175.640 175.218 0.422 17610 420 1 1 . 1 1 80 80 THR CA C 74 62.863 62.863 61.924 0.939 17610 421 1 1 . 1 1 80 80 THR CB C 74 69.808 69.808 70.127 -0.319 17610 422 1 1 . 1 1 80 80 THR H H 74 7.718 7.718 7.788 -0.070 17610 423 1 1 . 1 1 81 81 GLY N N 75 109.297 109.297 109.827 -0.530 17610 424 1 1 . 1 1 81 81 GLY C C 75 172.419 172.419 173.715 -1.296 17610 425 1 1 . 1 1 81 81 GLY CA C 75 46.504 46.504 44.295 2.209 17610 426 1 1 . 1 1 81 81 GLY H H 75 7.852 7.852 7.616 0.236 17610 427 1 1 . 1 1 82 82 GLU N N 76 122.399 122.399 122.917 -0.518 17610 428 1 1 . 1 1 82 82 GLU HA H 76 4.523 4.523 4.167 0.356 17610 429 1 1 . 1 1 82 82 GLU C C 76 176.409 176.409 176.031 0.378 17610 430 1 1 . 1 1 82 82 GLU CA C 76 56.469 56.469 58.014 -1.545 17610 431 1 1 . 1 1 82 82 GLU CB C 76 32.049 32.049 30.536 1.513 17610 432 1 1 . 1 1 82 82 GLU H H 76 8.879 8.879 8.035 0.844 17610 433 1 1 . 1 1 83 83 GLY N N 77 102.282 102.282 103.598 -1.316 17610 434 1 1 . 1 1 83 83 GLY C C 77 170.803 170.803 171.438 -0.635 17610 435 1 1 . 1 1 83 83 GLY CA C 77 45.453 45.453 44.963 0.490 17610 436 1 1 . 1 1 83 83 GLY H H 77 7.192 7.192 7.247 -0.055 17610 437 1 1 . 1 1 84 84 PHE N N 78 122.648 122.648 117.034 5.614 17610 438 1 1 . 1 1 84 84 PHE HA H 78 5.448 5.448 5.629 -0.181 17610 439 1 1 . 1 1 84 84 PHE C C 78 173.734 173.734 174.247 -0.513 17610 440 1 1 . 1 1 84 84 PHE CA C 78 57.065 57.065 56.440 0.625 17610 441 1 1 . 1 1 84 84 PHE CB C 78 42.997 42.997 43.903 -0.906 17610 442 1 1 . 1 1 84 84 PHE H H 78 8.224 8.224 8.279 -0.055 17610 443 1 1 . 1 1 85 85 LEU N N 79 127.298 127.298 122.518 4.780 17610 444 1 1 . 1 1 85 85 LEU HA H 79 4.690 4.690 5.108 -0.418 17610 445 1 1 . 1 1 85 85 LEU C C 79 174.690 174.690 175.312 -0.622 17610 446 1 1 . 1 1 85 85 LEU CA C 79 53.981 53.981 53.878 0.103 17610 447 1 1 . 1 1 85 85 LEU CB C 79 43.058 43.058 46.007 -2.949 17610 448 1 1 . 1 1 85 85 LEU H H 79 9.189 9.189 8.558 0.631 17610 449 1 1 . 1 1 86 86 CYS N N 80 125.581 125.581 125.770 -0.189 17610 450 1 1 . 1 1 86 86 CYS HA H 80 4.689 4.689 4.529 0.160 17610 451 1 1 . 1 1 86 86 CYS C C 80 172.664 172.664 173.571 -0.907 17610 452 1 1 . 1 1 86 86 CYS CA C 80 57.767 57.767 58.428 -0.661 17610 453 1 1 . 1 1 86 86 CYS CB C 80 27.397 27.397 27.116 0.281 17610 454 1 1 . 1 1 86 86 CYS H H 80 8.720 8.720 9.144 -0.424 17610 455 1 1 . 1 1 87 87 VAL N N 81 127.252 127.252 127.543 -0.291 17610 456 1 1 . 1 1 87 87 VAL HA H 81 4.983 4.983 4.562 0.421 17610 457 1 1 . 1 1 87 87 VAL C C 81 175.119 175.119 174.837 0.282 17610 458 1 1 . 1 1 87 87 VAL CA C 81 61.275 61.275 61.828 -0.553 17610 459 1 1 . 1 1 87 87 VAL CB C 81 33.407 33.407 32.467 0.940 17610 460 1 1 . 1 1 87 87 VAL H H 81 9.028 9.028 7.962 1.066 17610 461 1 1 . 1 1 88 88 PHE N N 82 125.157 125.157 126.447 -1.290 17610 462 1 1 . 1 1 88 88 PHE HA H 82 4.992 4.992 5.095 -0.103 17610 463 1 1 . 1 1 88 88 PHE C C 82 171.162 171.162 172.494 -1.332 17610 464 1 1 . 1 1 88 88 PHE CA C 82 55.349 55.349 55.228 0.121 17610 465 1 1 . 1 1 88 88 PHE CB C 82 40.430 40.430 42.839 -2.409 17610 466 1 1 . 1 1 88 88 PHE H H 82 9.306 9.306 8.666 0.640 17610 467 1 1 . 1 1 89 89 ALA N N 83 122.321 122.321 125.215 -2.894 17610 468 1 1 . 1 1 89 89 ALA HA H 83 5.082 5.082 4.638 0.444 17610 469 1 1 . 1 1 89 89 ALA C C 83 179.267 179.267 177.801 1.466 17610 470 1 1 . 1 1 89 89 ALA CA C 83 49.635 49.635 49.435 0.200 17610 471 1 1 . 1 1 89 89 ALA CB C 83 21.739 21.739 20.269 1.470 17610 472 1 1 . 1 1 89 89 ALA H H 83 8.692 8.692 8.256 0.436 17610 473 1 1 . 1 1 90 90 ILE N N 84 114.459 114.459 118.255 -3.796 17610 474 1 1 . 1 1 90 90 ILE HA H 84 4.054 4.054 3.553 0.501 17610 475 1 1 . 1 1 90 90 ILE C C 84 174.164 174.164 176.664 -2.500 17610 476 1 1 . 1 1 90 90 ILE CA C 84 63.169 63.169 64.010 -0.841 17610 477 1 1 . 1 1 90 90 ILE CB C 84 38.174 38.174 37.699 0.475 17610 478 1 1 . 1 1 90 90 ILE H H 84 8.461 8.461 7.301 1.160 17610 479 1 1 . 1 1 91 91 ASN N N 85 118.240 118.240 115.999 2.241 17610 480 1 1 . 1 1 91 91 ASN HA H 85 5.049 5.049 4.750 0.299 17610 481 1 1 . 1 1 91 91 ASN C C 85 174.583 174.583 175.090 -0.507 17610 482 1 1 . 1 1 91 91 ASN CA C 85 52.161 52.161 54.823 -2.662 17610 483 1 1 . 1 1 91 91 ASN CB C 85 38.132 38.132 38.681 -0.548 17610 484 1 1 . 1 1 91 91 ASN H H 85 7.906 7.906 8.470 -0.564 17610 485 1 1 . 1 1 92 92 ASN N N 86 120.345 120.345 117.159 3.186 17610 486 1 1 . 1 1 92 92 ASN HA H 86 5.080 5.080 4.911 0.169 17610 487 1 1 . 1 1 92 92 ASN C C 86 175.090 175.090 175.555 -0.465 17610 488 1 1 . 1 1 92 92 ASN CA C 86 52.041 52.041 51.945 0.096 17610 489 1 1 . 1 1 92 92 ASN CB C 86 39.203 39.203 39.109 0.094 17610 490 1 1 . 1 1 92 92 ASN H H 86 7.931 7.931 7.763 0.168 17610 491 1 1 . 1 1 93 93 THR N N 87 125.665 125.665 121.533 4.132 17610 492 1 1 . 1 1 93 93 THR HA H 87 3.772 3.772 4.211 -0.439 17610 493 1 1 . 1 1 93 93 THR C C 87 176.012 176.012 176.099 -0.087 17610 494 1 1 . 1 1 93 93 THR CA C 87 66.753 66.753 65.849 0.904 17610 495 1 1 . 1 1 93 93 THR CB C 87 68.400 68.400 69.074 -0.674 17610 496 1 1 . 1 1 93 93 THR H H 87 9.272 9.272 8.791 0.481 17610 497 1 1 . 1 1 94 94 LYS N N 88 125.404 125.404 121.846 3.558 17610 498 1 1 . 1 1 94 94 LYS HA H 88 4.186 4.186 4.114 0.072 17610 499 1 1 . 1 1 94 94 LYS C C 88 178.027 178.027 178.599 -0.572 17610 500 1 1 . 1 1 94 94 LYS CA C 88 59.359 59.359 60.089 -0.730 17610 501 1 1 . 1 1 94 94 LYS CB C 88 31.292 31.292 32.430 -1.138 17610 502 1 1 . 1 1 94 94 LYS H H 88 8.456 8.456 8.310 0.146 17610 503 1 1 . 1 1 95 95 SER N N 89 115.491 115.491 115.564 -0.073 17610 504 1 1 . 1 1 95 95 SER HA H 89 4.188 4.188 4.741 -0.553 17610 505 1 1 . 1 1 95 95 SER C C 89 175.751 175.751 176.489 -0.738 17610 506 1 1 . 1 1 95 95 SER CA C 89 61.751 61.751 61.453 0.298 17610 507 1 1 . 1 1 95 95 SER CB C 89 63.530 63.530 62.511 1.019 17610 508 1 1 . 1 1 95 95 SER H H 89 7.970 7.970 7.725 0.245 17610 509 1 1 . 1 1 96 96 PHE N N 90 125.899 125.899 121.603 4.296 17610 510 1 1 . 1 1 96 96 PHE HA H 90 4.037 4.037 4.276 -0.239 17610 511 1 1 . 1 1 96 96 PHE C C 90 177.267 177.267 176.882 0.385 17610 512 1 1 . 1 1 96 96 PHE CA C 90 59.688 59.688 60.870 -1.183 17610 513 1 1 . 1 1 96 96 PHE CB C 90 40.175 40.175 39.151 1.024 17610 514 1 1 . 1 1 96 96 PHE H H 90 7.419 7.419 8.026 -0.607 17610 515 1 1 . 1 1 97 97 GLU N N 91 122.834 122.834 117.856 4.978 17610 516 1 1 . 1 1 97 97 GLU HA H 91 3.787 3.787 4.055 -0.268 17610 517 1 1 . 1 1 97 97 GLU C C 91 179.628 179.628 178.363 1.265 17610 518 1 1 . 1 1 97 97 GLU CA C 91 59.004 59.004 59.465 -0.461 17610 519 1 1 . 1 1 97 97 GLU CB C 91 29.261 29.261 29.852 -0.591 17610 520 1 1 . 1 1 97 97 GLU H H 91 8.449 8.449 7.755 0.694 17610 521 1 1 . 1 1 98 98 ASP N N 92 118.617 118.617 119.324 -0.707 17610 522 1 1 . 1 1 98 98 ASP HA H 92 4.553 4.553 4.328 0.225 17610 523 1 1 . 1 1 98 98 ASP C C 92 177.582 177.582 178.805 -1.223 17610 524 1 1 . 1 1 98 98 ASP CA C 92 56.171 56.171 56.806 -0.635 17610 525 1 1 . 1 1 98 98 ASP CB C 92 41.184 41.184 40.200 0.984 17610 526 1 1 . 1 1 98 98 ASP H H 92 8.492 8.492 8.040 0.452 17610 527 1 1 . 1 1 99 99 ILE N N 93 121.939 121.939 119.545 2.394 17610 528 1 1 . 1 1 99 99 ILE HA H 93 3.954 3.954 4.086 -0.132 17610 529 1 1 . 1 1 99 99 ILE C C 93 177.442 177.442 177.496 -0.054 17610 530 1 1 . 1 1 99 99 ILE CA C 93 62.370 62.370 63.363 -0.993 17610 531 1 1 . 1 1 99 99 ILE CB C 93 34.570 34.570 36.753 -2.183 17610 532 1 1 . 1 1 99 99 ILE H H 93 7.583 7.583 8.649 -1.066 17610 533 1 1 . 1 1 100 100 HIS N N 94 118.387 118.387 119.488 -1.101 17610 534 1 1 . 1 1 100 100 HIS HA H 94 4.273 4.273 4.298 -0.025 17610 535 1 1 . 1 1 100 100 HIS C C 94 177.345 177.345 176.890 0.455 17610 536 1 1 . 1 1 100 100 HIS CA C 94 60.090 60.090 59.587 0.503 17610 537 1 1 . 1 1 100 100 HIS CB C 94 30.512 30.512 30.220 0.292 17610 538 1 1 . 1 1 100 100 HIS H H 94 7.799 7.799 7.418 0.381 17610 539 1 1 . 1 1 101 101 GLN N N 95 117.673 117.673 118.760 -1.087 17610 540 1 1 . 1 1 101 101 GLN HA H 95 3.941 3.941 3.749 0.192 17610 541 1 1 . 1 1 101 101 GLN C C 95 179.155 179.155 178.265 0.890 17610 542 1 1 . 1 1 101 101 GLN CA C 95 58.371 58.371 58.003 0.368 17610 543 1 1 . 1 1 101 101 GLN CB C 95 27.807 27.807 27.463 0.344 17610 544 1 1 . 1 1 101 101 GLN H H 95 7.468 7.468 7.641 -0.173 17610 545 1 1 . 1 1 102 102 TYR N N 96 120.407 120.407 120.539 -0.132 17610 546 1 1 . 1 1 102 102 TYR HA H 96 4.064 4.064 3.975 0.089 17610 547 1 1 . 1 1 102 102 TYR C C 96 177.660 177.660 177.761 -0.101 17610 548 1 1 . 1 1 102 102 TYR CA C 96 62.847 62.847 61.269 1.578 17610 549 1 1 . 1 1 102 102 TYR CB C 96 37.795 37.795 38.046 -0.251 17610 550 1 1 . 1 1 102 102 TYR H H 96 7.600 7.600 8.429 -0.829 17610 551 1 1 . 1 1 103 103 ARG N N 97 119.974 119.974 119.044 0.930 17610 552 1 1 . 1 1 103 103 ARG HA H 97 3.616 3.616 3.689 -0.073 17610 553 1 1 . 1 1 103 103 ARG C C 97 177.618 177.618 178.046 -0.428 17610 554 1 1 . 1 1 103 103 ARG CA C 97 59.938 59.938 59.451 0.487 17610 555 1 1 . 1 1 103 103 ARG CB C 97 28.599 28.599 29.521 -0.922 17610 556 1 1 . 1 1 103 103 ARG H H 97 8.395 8.395 7.654 0.741 17610 557 1 1 . 1 1 104 104 GLU N N 98 118.351 118.351 117.671 0.680 17610 558 1 1 . 1 1 104 104 GLU HA H 98 3.781 3.781 3.852 -0.071 17610 559 1 1 . 1 1 104 104 GLU C C 98 178.982 178.982 178.972 0.010 17610 560 1 1 . 1 1 104 104 GLU CA C 98 58.900 58.900 59.139 -0.239 17610 561 1 1 . 1 1 104 104 GLU CB C 98 29.435 29.435 28.877 0.558 17610 562 1 1 . 1 1 104 104 GLU H H 98 7.970 7.970 7.548 0.422 17610 563 1 1 . 1 1 105 105 GLN N N 99 121.350 121.350 117.902 3.448 17610 564 1 1 . 1 1 105 105 GLN HA H 99 3.946 3.946 4.050 -0.104 17610 565 1 1 . 1 1 105 105 GLN C C 99 177.701 177.701 178.310 -0.609 17610 566 1 1 . 1 1 105 105 GLN CA C 99 59.037 59.037 58.502 0.535 17610 567 1 1 . 1 1 105 105 GLN CB C 99 27.938 27.938 28.569 -0.631 17610 568 1 1 . 1 1 105 105 GLN H H 99 7.907 7.907 7.496 0.411 17610 569 1 1 . 1 1 106 106 ILE N N 100 121.310 121.310 120.552 0.758 17610 570 1 1 . 1 1 106 106 ILE HA H 100 3.177 3.177 3.364 -0.187 17610 571 1 1 . 1 1 106 106 ILE C C 100 177.199 177.199 177.734 -0.535 17610 572 1 1 . 1 1 106 106 ILE CA C 100 65.682 65.682 65.002 0.680 17610 573 1 1 . 1 1 106 106 ILE CB C 100 37.874 37.874 37.408 0.466 17610 574 1 1 . 1 1 106 106 ILE H H 100 7.920 7.920 7.399 0.521 17610 575 1 1 . 1 1 107 107 LYS N N 101 118.584 118.584 119.132 -0.548 17610 576 1 1 . 1 1 107 107 LYS HA H 101 3.951 3.951 4.137 -0.186 17610 577 1 1 . 1 1 107 107 LYS C C 101 179.476 179.476 179.290 0.186 17610 578 1 1 . 1 1 107 107 LYS CA C 101 59.571 59.571 59.440 0.131 17610 579 1 1 . 1 1 107 107 LYS CB C 101 32.227 32.227 31.899 0.328 17610 580 1 1 . 1 1 107 107 LYS H H 101 7.782 7.782 7.634 0.148 17610 581 1 1 . 1 1 108 108 ARG N N 102 119.152 119.152 119.207 -0.055 17610 582 1 1 . 1 1 108 108 ARG HA H 102 4.082 4.082 3.992 0.090 17610 583 1 1 . 1 1 108 108 ARG C C 102 179.582 179.582 178.474 1.108 17610 584 1 1 . 1 1 108 108 ARG CA C 102 58.946 58.946 59.229 -0.283 17610 585 1 1 . 1 1 108 108 ARG CB C 102 30.097 30.097 30.222 -0.125 17610 586 1 1 . 1 1 108 108 ARG H H 102 7.777 7.777 7.236 0.541 17610 587 1 1 . 1 1 109 109 VAL N N 103 119.544 119.544 119.624 -0.080 17610 588 1 1 . 1 1 109 109 VAL HA H 103 3.837 3.837 3.734 0.103 17610 589 1 1 . 1 1 109 109 VAL C C 103 177.919 177.919 177.932 -0.013 17610 590 1 1 . 1 1 109 109 VAL CA C 103 65.393 65.393 65.674 -0.281 17610 591 1 1 . 1 1 109 109 VAL CB C 103 31.599 31.599 31.361 0.238 17610 592 1 1 . 1 1 109 109 VAL H H 103 8.282 8.282 7.653 0.629 17610 593 1 1 . 1 1 110 110 LYS N N 104 117.592 117.592 117.745 -0.153 17610 594 1 1 . 1 1 110 110 LYS HA H 104 4.269 4.269 4.206 0.063 17610 595 1 1 . 1 1 110 110 LYS C C 104 175.878 175.878 176.425 -0.547 17610 596 1 1 . 1 1 110 110 LYS CA C 104 54.797 54.797 56.191 -1.394 17610 597 1 1 . 1 1 110 110 LYS CB C 104 30.687 30.687 32.103 -1.416 17610 598 1 1 . 1 1 110 110 LYS H H 104 8.117 8.117 8.084 0.033 17610 599 1 1 . 1 1 111 111 ASP N N 105 122.118 122.118 117.375 4.743 17610 600 1 1 . 1 1 111 111 ASP HA H 105 4.306 4.306 4.426 -0.120 17610 601 1 1 . 1 1 111 111 ASP C C 105 174.496 174.496 175.163 -0.667 17610 602 1 1 . 1 1 111 111 ASP CA C 105 54.442 54.442 55.075 -0.633 17610 603 1 1 . 1 1 111 111 ASP CB C 105 39.792 39.792 39.697 0.095 17610 604 1 1 . 1 1 111 111 ASP H H 105 7.958 7.958 7.880 0.078 17610 605 1 1 . 1 1 112 112 SER N N 106 110.372 110.372 112.007 -1.635 17610 606 1 1 . 1 1 112 112 SER HA H 106 4.565 4.565 4.555 0.010 17610 607 1 1 . 1 1 112 112 SER C C 106 172.985 172.985 173.157 -0.172 17610 608 1 1 . 1 1 112 112 SER CA C 106 56.779 56.779 57.980 -1.201 17610 609 1 1 . 1 1 112 112 SER CB C 106 65.259 65.259 64.815 0.444 17610 610 1 1 . 1 1 112 112 SER H H 106 7.539 7.539 7.630 -0.091 17610 611 1 1 . 1 1 113 113 ASP N N 107 123.301 123.301 123.744 -0.443 17610 612 1 1 . 1 1 113 113 ASP HA H 107 4.665 4.665 4.422 0.243 17610 613 1 1 . 1 1 113 113 ASP C C 107 176.066 176.066 175.311 0.755 17610 614 1 1 . 1 1 113 113 ASP CA C 107 54.267 54.267 55.451 -1.184 17610 615 1 1 . 1 1 113 113 ASP CB C 107 41.837 41.837 41.128 0.709 17610 616 1 1 . 1 1 113 113 ASP H H 107 8.385 8.385 8.627 -0.242 17610 617 1 1 . 1 1 114 114 ASP N N 108 122.347 122.347 122.120 0.227 17610 618 1 1 . 1 1 114 114 ASP HA H 108 4.882 4.882 4.550 0.332 17610 619 1 1 . 1 1 114 114 ASP C C 108 174.386 174.386 174.974 -0.588 17610 620 1 1 . 1 1 114 114 ASP CA C 108 53.143 53.143 54.462 -1.319 17610 621 1 1 . 1 1 114 114 ASP CB C 108 41.323 41.323 39.713 1.610 17610 622 1 1 . 1 1 114 114 ASP H H 108 8.404 8.404 8.160 0.244 17610 623 1 1 . 1 1 115 115 VAL N N 109 123.609 123.609 123.666 -0.057 17610 624 1 1 . 1 1 115 115 VAL HA H 109 4.337 4.337 4.326 0.011 17610 625 1 1 . 1 1 115 115 VAL CA C 109 58.984 58.984 58.656 0.328 17610 626 1 1 . 1 1 115 115 VAL CB C 109 34.932 34.932 35.425 -0.493 17610 627 1 1 . 1 1 115 115 VAL H H 109 7.649 7.649 7.579 0.070 17610 628 1 1 . 1 1 116 116 PRO HA H 110 4.430 4.430 4.518 -0.088 17610 629 1 1 . 1 1 116 116 PRO C C 110 175.942 175.942 175.794 0.148 17610 630 1 1 . 1 1 116 116 PRO CA C 110 63.872 63.872 62.928 0.944 17610 631 1 1 . 1 1 116 116 PRO CB C 110 32.120 32.120 30.907 1.213 17610 632 1 1 . 1 1 117 117 MET N N 111 124.020 124.020 120.326 3.694 17610 633 1 1 . 1 1 117 117 MET HA H 111 5.777 5.777 5.508 0.269 17610 634 1 1 . 1 1 117 117 MET C C 111 173.737 173.737 173.923 -0.186 17610 635 1 1 . 1 1 117 117 MET CA C 111 55.094 55.094 54.727 0.367 17610 636 1 1 . 1 1 117 117 MET CB C 111 37.889 37.889 37.286 0.603 17610 637 1 1 . 1 1 117 117 MET H H 111 8.274 8.274 7.959 0.315 17610 638 1 1 . 1 1 118 118 VAL N N 112 118.747 118.747 116.435 2.312 17610 639 1 1 . 1 1 118 118 VAL HA H 112 4.341 4.341 4.506 -0.165 17610 640 1 1 . 1 1 118 118 VAL C C 112 173.171 173.171 173.540 -0.369 17610 641 1 1 . 1 1 118 118 VAL CA C 112 60.943 60.943 60.860 0.083 17610 642 1 1 . 1 1 118 118 VAL CB C 112 37.030 37.030 36.736 0.294 17610 643 1 1 . 1 1 118 118 VAL H H 112 8.119 8.119 8.391 -0.272 17610 644 1 1 . 1 1 119 119 LEU N N 113 129.931 129.931 128.378 1.553 17610 645 1 1 . 1 1 119 119 LEU HA H 113 5.157 5.157 5.183 -0.026 17610 646 1 1 . 1 1 119 119 LEU C C 113 173.496 173.496 174.900 -1.404 17610 647 1 1 . 1 1 119 119 LEU CA C 113 53.828 53.828 53.136 0.692 17610 648 1 1 . 1 1 119 119 LEU CB C 113 43.876 43.876 43.365 0.511 17610 649 1 1 . 1 1 119 119 LEU H H 113 8.918 8.918 8.324 0.594 17610 650 1 1 . 1 1 120 120 VAL N N 114 129.371 129.371 127.847 1.524 17610 651 1 1 . 1 1 120 120 VAL HA H 114 5.117 5.117 5.153 -0.036 17610 652 1 1 . 1 1 120 120 VAL C C 114 173.667 173.667 175.539 -1.872 17610 653 1 1 . 1 1 120 120 VAL CA C 114 60.124 60.124 60.478 -0.354 17610 654 1 1 . 1 1 120 120 VAL CB C 114 35.225 35.225 34.431 0.794 17610 655 1 1 . 1 1 120 120 VAL H H 114 9.173 9.173 9.143 0.030 17610 656 1 1 . 1 1 121 121 GLY N N 115 115.789 115.789 112.177 3.612 17610 657 1 1 . 1 1 121 121 GLY C C 115 171.603 171.603 173.723 -2.120 17610 658 1 1 . 1 1 121 121 GLY CA C 115 45.256 45.256 43.900 1.356 17610 659 1 1 . 1 1 121 121 GLY H H 115 8.046 8.046 8.952 -0.906 17610 660 1 1 . 1 1 122 122 ASN N N 116 122.349 122.349 123.512 -1.163 17610 661 1 1 . 1 1 122 122 ASN HA H 116 5.620 5.620 4.671 0.949 17610 662 1 1 . 1 1 122 122 ASN C C 116 174.732 174.732 175.307 -0.575 17610 663 1 1 . 1 1 122 122 ASN CA C 116 51.492 51.492 52.868 -1.377 17610 664 1 1 . 1 1 122 122 ASN CB C 116 41.323 41.323 40.149 1.174 17610 665 1 1 . 1 1 122 122 ASN H H 116 8.756 8.756 7.830 0.926 17610 666 1 1 . 1 1 123 123 LYS N N 117 113.297 113.297 115.371 -2.074 17610 667 1 1 . 1 1 123 123 LYS HA H 117 4.280 4.280 4.046 0.234 17610 668 1 1 . 1 1 123 123 LYS C C 117 177.324 177.324 175.644 1.680 17610 669 1 1 . 1 1 123 123 LYS CA C 117 57.273 57.273 57.413 -0.140 17610 670 1 1 . 1 1 123 123 LYS CB C 117 29.775 29.775 29.526 0.249 17610 671 1 1 . 1 1 123 123 LYS H H 117 7.342 7.342 8.751 -1.409 17610 672 1 1 . 1 1 124 124 CYS N N 118 115.340 115.340 118.617 -3.277 17610 673 1 1 . 1 1 124 124 CYS HA H 118 4.292 4.292 4.361 -0.069 17610 674 1 1 . 1 1 124 124 CYS C C 118 173.325 173.325 174.407 -1.082 17610 675 1 1 . 1 1 124 124 CYS CA C 118 60.698 60.698 58.799 1.899 17610 676 1 1 . 1 1 124 124 CYS CB C 118 26.387 26.387 27.117 -0.731 17610 677 1 1 . 1 1 124 124 CYS H H 118 8.763 8.763 8.051 0.712 17610 678 1 1 . 1 1 125 125 ASP N N 119 118.603 118.603 118.736 -0.133 17610 679 1 1 . 1 1 125 125 ASP HA H 119 4.476 4.476 4.578 -0.102 17610 680 1 1 . 1 1 125 125 ASP C C 119 175.464 175.464 176.103 -0.639 17610 681 1 1 . 1 1 125 125 ASP CA C 119 53.951 53.951 53.992 -0.041 17610 682 1 1 . 1 1 125 125 ASP CB C 119 41.323 41.323 40.089 1.234 17610 683 1 1 . 1 1 125 125 ASP H H 119 8.613 8.613 8.110 0.503 17610 684 1 1 . 1 1 126 126 LEU N N 120 122.098 122.098 121.781 0.317 17610 685 1 1 . 1 1 126 126 LEU HA H 120 4.241 4.241 4.179 0.062 17610 686 1 1 . 1 1 126 126 LEU C C 120 176.420 176.420 177.292 -0.872 17610 687 1 1 . 1 1 126 126 LEU CA C 120 54.723 54.723 55.138 -0.415 17610 688 1 1 . 1 1 126 126 LEU CB C 120 41.837 41.837 42.537 -0.700 17610 689 1 1 . 1 1 126 126 LEU H H 120 7.802 7.802 7.840 -0.038 17610 690 1 1 . 1 1 127 127 ALA N N 121 123.959 123.959 124.382 -0.423 17610 691 1 1 . 1 1 127 127 ALA HA H 121 4.214 4.214 4.373 -0.160 17610 692 1 1 . 1 1 127 127 ALA C C 121 178.717 178.717 176.456 2.261 17610 693 1 1 . 1 1 127 127 ALA CA C 121 53.179 53.179 52.235 0.944 17610 694 1 1 . 1 1 127 127 ALA CB C 121 18.871 18.871 18.902 -0.031 17610 695 1 1 . 1 1 127 127 ALA H H 121 8.160 8.160 8.365 -0.205 17610 696 1 1 . 1 1 128 128 ALA N N 122 123.078 123.078 121.923 1.155 17610 697 1 1 . 1 1 128 128 ALA HA H 122 4.524 4.524 4.517 0.007 17610 698 1 1 . 1 1 128 128 ALA C C 122 175.272 175.272 176.053 -0.781 17610 699 1 1 . 1 1 128 128 ALA CA C 122 51.259 51.259 51.553 -0.294 17610 700 1 1 . 1 1 128 128 ALA CB C 122 17.623 17.623 19.188 -1.565 17610 701 1 1 . 1 1 128 128 ALA H H 122 7.698 7.698 7.791 -0.093 17610 702 1 1 . 1 1 129 129 ARG N N 123 121.454 121.454 119.775 1.679 17610 703 1 1 . 1 1 129 129 ARG HA H 123 4.093 4.093 4.312 -0.219 17610 704 1 1 . 1 1 129 129 ARG C C 123 176.271 176.271 175.885 0.386 17610 705 1 1 . 1 1 129 129 ARG CA C 123 55.596 55.596 55.808 -0.212 17610 706 1 1 . 1 1 129 129 ARG CB C 123 32.696 32.696 30.421 2.275 17610 707 1 1 . 1 1 129 129 ARG H H 123 7.992 7.992 7.967 0.025 17610 708 1 1 . 1 1 130 130 THR N N 124 115.617 115.617 113.186 2.431 17610 709 1 1 . 1 1 130 130 THR HA H 124 4.564 4.564 4.449 0.115 17610 710 1 1 . 1 1 130 130 THR C C 124 174.119 174.119 175.141 -1.022 17610 711 1 1 . 1 1 130 130 THR CA C 124 61.746 61.746 62.217 -0.471 17610 712 1 1 . 1 1 130 130 THR CB C 124 69.094 69.094 70.187 -1.093 17610 713 1 1 . 1 1 130 130 THR H H 124 9.145 9.145 8.951 0.194 17610 714 1 1 . 1 1 131 131 VAL N N 125 125.688 125.688 125.206 0.482 17610 715 1 1 . 1 1 131 131 VAL HA H 125 4.015 4.015 4.088 -0.073 17610 716 1 1 . 1 1 131 131 VAL C C 125 175.658 175.658 175.400 0.258 17610 717 1 1 . 1 1 131 131 VAL CA C 125 61.373 61.373 62.217 -0.844 17610 718 1 1 . 1 1 131 131 VAL CB C 125 33.147 33.147 31.640 1.507 17610 719 1 1 . 1 1 131 131 VAL H H 125 7.618 7.618 8.082 -0.464 17610 720 1 1 . 1 1 132 132 GLU N N 126 128.319 128.319 125.928 2.391 17610 721 1 1 . 1 1 132 132 GLU HA H 126 4.228 4.228 4.394 -0.166 17610 722 1 1 . 1 1 132 132 GLU C C 126 177.986 177.986 177.524 0.462 17610 723 1 1 . 1 1 132 132 GLU CA C 126 56.323 56.323 56.322 0.001 17610 724 1 1 . 1 1 132 132 GLU CB C 126 30.158 30.158 30.297 -0.139 17610 725 1 1 . 1 1 132 132 GLU H H 126 8.727 8.727 8.186 0.541 17610 726 1 1 . 1 1 133 133 SER N N 127 122.970 122.970 115.963 7.007 17610 727 1 1 . 1 1 133 133 SER HA H 127 4.074 4.074 4.277 -0.203 17610 728 1 1 . 1 1 133 133 SER C C 127 176.633 176.633 176.091 0.542 17610 729 1 1 . 1 1 133 133 SER CA C 127 62.598 62.598 61.123 1.474 17610 730 1 1 . 1 1 133 133 SER CB C 127 62.511 62.511 63.093 -0.582 17610 731 1 1 . 1 1 133 133 SER H H 127 9.421 9.421 8.929 0.492 17610 732 1 1 . 1 1 134 134 ARG N N 128 119.141 119.141 122.051 -2.910 17610 733 1 1 . 1 1 134 134 ARG HA H 128 4.028 4.028 3.967 0.061 17610 734 1 1 . 1 1 134 134 ARG C C 128 177.739 177.739 178.078 -0.339 17610 735 1 1 . 1 1 134 134 ARG CA C 128 58.785 58.785 58.777 0.008 17610 736 1 1 . 1 1 134 134 ARG CB C 128 29.752 29.752 29.273 0.479 17610 737 1 1 . 1 1 134 134 ARG H H 128 8.675 8.675 8.372 0.303 17610 738 1 1 . 1 1 135 135 GLN N N 129 118.050 118.050 118.601 -0.551 17610 739 1 1 . 1 1 135 135 GLN HA H 129 4.091 4.091 3.915 0.176 17610 740 1 1 . 1 1 135 135 GLN C C 129 179.009 179.009 177.828 1.181 17610 741 1 1 . 1 1 135 135 GLN CA C 129 58.389 58.389 58.894 -0.505 17610 742 1 1 . 1 1 135 135 GLN CB C 129 28.916 28.916 28.075 0.842 17610 743 1 1 . 1 1 135 135 GLN H H 129 6.796 6.796 7.726 -0.930 17610 744 1 1 . 1 1 136 136 ALA N N 130 124.769 124.769 120.722 4.047 17610 745 1 1 . 1 1 136 136 ALA HA H 130 3.933 3.933 3.795 0.138 17610 746 1 1 . 1 1 136 136 ALA C C 130 178.155 178.155 179.619 -1.464 17610 747 1 1 . 1 1 136 136 ALA CA C 130 54.760 54.760 54.562 0.198 17610 748 1 1 . 1 1 136 136 ALA CB C 130 18.546 18.546 17.594 0.952 17610 749 1 1 . 1 1 136 136 ALA H H 130 7.017 7.017 7.359 -0.342 17610 750 1 1 . 1 1 137 137 GLN N N 131 119.215 119.215 117.209 2.006 17610 751 1 1 . 1 1 137 137 GLN HA H 131 3.720 3.720 3.812 -0.092 17610 752 1 1 . 1 1 137 137 GLN C C 131 179.387 179.387 177.797 1.590 17610 753 1 1 . 1 1 137 137 GLN CA C 131 58.815 58.815 59.165 -0.350 17610 754 1 1 . 1 1 137 137 GLN CB C 131 28.503 28.503 28.560 -0.057 17610 755 1 1 . 1 1 137 137 GLN H H 131 8.602 8.602 7.897 0.705 17610 756 1 1 . 1 1 138 138 ASP N N 132 121.298 121.298 121.641 -0.343 17610 757 1 1 . 1 1 138 138 ASP HA H 132 4.371 4.371 4.300 0.071 17610 758 1 1 . 1 1 138 138 ASP C C 132 178.855 178.855 178.614 0.241 17610 759 1 1 . 1 1 138 138 ASP CA C 132 57.425 57.425 57.180 0.245 17610 760 1 1 . 1 1 138 138 ASP CB C 132 40.860 40.860 40.499 0.361 17610 761 1 1 . 1 1 138 138 ASP H H 132 8.203 8.203 7.638 0.565 17610 762 1 1 . 1 1 139 139 LEU N N 133 124.786 124.786 119.350 5.436 17610 763 1 1 . 1 1 139 139 LEU HA H 133 3.888 3.888 3.569 0.319 17610 764 1 1 . 1 1 139 139 LEU C C 133 178.953 178.953 178.781 0.172 17610 765 1 1 . 1 1 139 139 LEU CA C 133 57.827 57.827 57.496 0.331 17610 766 1 1 . 1 1 139 139 LEU CB C 133 41.837 41.837 41.588 0.249 17610 767 1 1 . 1 1 139 139 LEU H H 133 7.485 7.485 7.402 0.083 17610 768 1 1 . 1 1 140 140 ALA N N 134 123.038 123.038 120.660 2.378 17610 769 1 1 . 1 1 140 140 ALA HA H 134 3.783 3.783 4.075 -0.292 17610 770 1 1 . 1 1 140 140 ALA C C 134 179.902 179.902 179.300 0.602 17610 771 1 1 . 1 1 140 140 ALA CA C 134 55.832 55.832 55.184 0.648 17610 772 1 1 . 1 1 140 140 ALA CB C 134 18.120 18.120 18.444 -0.324 17610 773 1 1 . 1 1 140 140 ALA H H 134 8.426 8.426 7.561 0.865 17610 774 1 1 . 1 1 141 141 ARG N N 135 119.537 119.537 118.120 1.417 17610 775 1 1 . 1 1 141 141 ARG HA H 135 4.194 4.194 4.146 0.048 17610 776 1 1 . 1 1 141 141 ARG C C 135 180.037 180.037 178.197 1.840 17610 777 1 1 . 1 1 141 141 ARG CA C 135 59.331 59.331 58.653 0.678 17610 778 1 1 . 1 1 141 141 ARG CB C 135 29.864 29.864 29.999 -0.135 17610 779 1 1 . 1 1 141 141 ARG H H 135 8.459 8.459 8.516 -0.057 17610 780 1 1 . 1 1 142 142 SER N N 136 118.958 118.958 114.530 4.428 17610 781 1 1 . 1 1 142 142 SER HA H 136 4.277 4.277 4.258 0.019 17610 782 1 1 . 1 1 142 142 SER C C 136 176.127 176.127 176.015 0.112 17610 783 1 1 . 1 1 142 142 SER CA C 136 61.509 61.509 60.542 0.967 17610 784 1 1 . 1 1 142 142 SER CB C 136 62.529 62.529 63.345 -0.816 17610 785 1 1 . 1 1 142 142 SER H H 136 7.944 7.944 7.935 0.009 17610 786 1 1 . 1 1 143 143 TYR N N 137 121.309 121.309 118.283 3.026 17610 787 1 1 . 1 1 143 143 TYR HA H 137 4.907 4.907 4.593 0.314 17610 788 1 1 . 1 1 143 143 TYR C C 137 176.279 176.279 176.102 0.177 17610 789 1 1 . 1 1 143 143 TYR CA C 137 54.737 54.737 57.832 -3.095 17610 790 1 1 . 1 1 143 143 TYR CB C 137 38.830 38.830 38.910 -0.080 17610 791 1 1 . 1 1 143 143 TYR H H 137 7.623 7.623 7.808 -0.185 17610 792 1 1 . 1 1 144 144 GLY N N 138 112.193 112.193 107.887 4.306 17610 793 1 1 . 1 1 144 144 GLY C C 138 175.077 175.077 174.528 0.549 17610 794 1 1 . 1 1 144 144 GLY CA C 138 46.439 46.439 45.593 0.846 17610 795 1 1 . 1 1 144 144 GLY H H 138 8.328 8.328 7.523 0.805 17610 796 1 1 . 1 1 145 145 ILE N N 139 114.227 114.227 116.175 -1.948 17610 797 1 1 . 1 1 145 145 ILE HA H 139 5.241 5.241 4.697 0.544 17610 798 1 1 . 1 1 145 145 ILE CA C 139 58.420 58.420 57.834 0.586 17610 799 1 1 . 1 1 145 145 ILE CB C 139 38.543 38.543 38.834 -0.291 17610 800 1 1 . 1 1 145 145 ILE H H 139 8.059 8.059 7.706 0.353 17610 801 1 1 . 1 1 146 146 PRO HA H 140 4.627 4.627 4.491 0.136 17610 802 1 1 . 1 1 146 146 PRO C C 140 174.570 174.570 175.223 -0.653 17610 803 1 1 . 1 1 146 146 PRO CA C 140 62.362 62.362 62.426 -0.064 17610 804 1 1 . 1 1 146 146 PRO CB C 140 33.057 33.057 32.627 0.430 17610 805 1 1 . 1 1 147 147 TYR N N 141 121.135 121.135 121.333 -0.198 17610 806 1 1 . 1 1 147 147 TYR HA H 141 5.997 5.997 5.600 0.397 17610 807 1 1 . 1 1 147 147 TYR C C 141 174.492 174.492 174.662 -0.170 17610 808 1 1 . 1 1 147 147 TYR CA C 141 54.912 54.912 56.122 -1.210 17610 809 1 1 . 1 1 147 147 TYR CB C 141 40.972 40.972 40.635 0.337 17610 810 1 1 . 1 1 147 147 TYR H H 141 8.252 8.252 8.377 -0.125 17610 811 1 1 . 1 1 148 148 ILE N N 142 131.362 131.362 128.440 2.922 17610 812 1 1 . 1 1 148 148 ILE HA H 142 3.948 3.948 4.250 -0.302 17610 813 1 1 . 1 1 148 148 ILE C C 142 172.977 172.977 174.195 -1.218 17610 814 1 1 . 1 1 148 148 ILE CA C 142 59.383 59.383 59.753 -0.370 17610 815 1 1 . 1 1 148 148 ILE CB C 142 42.260 42.260 42.060 0.200 17610 816 1 1 . 1 1 148 148 ILE H H 142 8.495 8.495 8.532 -0.037 17610 817 1 1 . 1 1 149 149 GLU N N 143 125.874 125.874 122.945 2.929 17610 818 1 1 . 1 1 149 149 GLU HA H 143 4.788 4.788 4.663 0.125 17610 819 1 1 . 1 1 149 149 GLU C C 143 176.128 176.128 175.231 0.897 17610 820 1 1 . 1 1 149 149 GLU CA C 143 55.647 55.647 55.503 0.144 17610 821 1 1 . 1 1 149 149 GLU CB C 143 29.727 29.727 32.216 -2.489 17610 822 1 1 . 1 1 149 149 GLU H H 143 7.827 7.827 8.522 -0.695 17610 823 1 1 . 1 1 150 150 THR N N 144 113.629 113.629 114.006 -0.377 17610 824 1 1 . 1 1 150 150 THR HA H 144 5.081 5.081 5.365 -0.284 17610 825 1 1 . 1 1 150 150 THR C C 144 176.136 176.136 173.276 2.860 17610 826 1 1 . 1 1 150 150 THR CA C 144 59.464 59.464 59.583 -0.119 17610 827 1 1 . 1 1 150 150 THR CB C 144 73.639 73.639 72.286 1.353 17610 828 1 1 . 1 1 150 150 THR H H 144 8.800 8.800 8.037 0.763 17610 829 1 1 . 1 1 151 151 SER N N 145 113.706 113.706 114.217 -0.511 17610 830 1 1 . 1 1 151 151 SER HA H 145 4.883 4.883 5.287 -0.404 17610 831 1 1 . 1 1 151 151 SER C C 145 175.707 175.707 174.283 1.424 17610 832 1 1 . 1 1 151 151 SER CA C 145 57.438 57.438 56.523 0.915 17610 833 1 1 . 1 1 151 151 SER CB C 145 64.470 64.470 66.126 -1.656 17610 834 1 1 . 1 1 151 151 SER H H 145 8.807 8.807 8.151 0.656 17610 835 1 1 . 1 1 152 152 ALA N N 146 133.500 133.500 128.305 5.195 17610 836 1 1 . 1 1 152 152 ALA HA H 146 3.890 3.890 4.191 -0.301 17610 837 1 1 . 1 1 152 152 ALA C C 146 175.632 175.632 177.637 -2.005 17610 838 1 1 . 1 1 152 152 ALA CA C 146 54.416 54.416 54.586 -0.170 17610 839 1 1 . 1 1 152 152 ALA CB C 146 18.605 18.605 18.827 -0.222 17610 840 1 1 . 1 1 152 152 ALA H H 146 9.134 9.134 9.042 0.092 17610 841 1 1 . 1 1 153 153 LYS N N 147 117.223 117.223 116.363 0.860 17610 842 1 1 . 1 1 153 153 LYS HA H 147 2.616 2.616 4.164 -1.548 17610 843 1 1 . 1 1 153 153 LYS C C 147 177.045 177.045 177.346 -0.301 17610 844 1 1 . 1 1 153 153 LYS CA C 147 58.119 58.119 58.470 -0.351 17610 845 1 1 . 1 1 153 153 LYS CB C 147 33.956 33.956 32.509 1.447 17610 846 1 1 . 1 1 153 153 LYS H H 147 7.042 7.042 8.548 -1.506 17610 847 1 1 . 1 1 154 154 THR N N 148 107.404 107.404 108.184 -0.780 17610 848 1 1 . 1 1 154 154 THR HA H 148 4.157 4.157 4.237 -0.080 17610 849 1 1 . 1 1 154 154 THR C C 148 175.979 175.979 175.323 0.656 17610 850 1 1 . 1 1 154 154 THR CA C 148 61.489 61.489 62.530 -1.041 17610 851 1 1 . 1 1 154 154 THR CB C 148 69.911 69.911 69.435 0.476 17610 852 1 1 . 1 1 154 154 THR H H 148 7.721 7.721 7.630 0.091 17610 853 1 1 . 1 1 155 155 ARG N N 149 119.268 119.268 120.633 -1.365 17610 854 1 1 . 1 1 155 155 ARG HA H 149 3.476 3.476 4.008 -0.532 17610 855 1 1 . 1 1 155 155 ARG C C 149 175.481 175.481 173.973 1.508 17610 856 1 1 . 1 1 155 155 ARG CA C 149 59.653 59.653 56.904 2.748 17610 857 1 1 . 1 1 155 155 ARG CB C 149 30.445 30.445 28.334 2.111 17610 858 1 1 . 1 1 155 155 ARG H H 149 7.814 7.814 8.072 -0.258 17610 859 1 1 . 1 1 156 156 GLN N N 150 125.391 125.391 121.776 3.615 17610 860 1 1 . 1 1 156 156 GLN HA H 150 4.065 4.065 4.508 -0.443 17610 861 1 1 . 1 1 156 156 GLN C C 150 177.007 177.007 176.032 0.975 17610 862 1 1 . 1 1 156 156 GLN CA C 150 57.433 57.433 55.064 2.369 17610 863 1 1 . 1 1 156 156 GLN CB C 150 28.472 28.472 30.682 -2.210 17610 864 1 1 . 1 1 156 156 GLN H H 150 7.833 7.833 7.630 0.203 17610 865 1 1 . 1 1 157 157 GLY N N 151 116.380 116.380 113.713 2.667 17610 866 1 1 . 1 1 157 157 GLY C C 151 173.581 173.581 174.738 -1.157 17610 867 1 1 . 1 1 157 157 GLY CA C 151 46.945 46.945 46.417 0.528 17610 868 1 1 . 1 1 157 157 GLY H H 151 8.936 8.936 9.034 -0.098 17610 869 1 1 . 1 1 158 158 VAL N N 152 121.822 121.822 119.614 2.208 17610 870 1 1 . 1 1 158 158 VAL HA H 152 3.221 3.221 3.547 -0.326 17610 871 1 1 . 1 1 158 158 VAL C C 152 177.006 177.006 177.680 -0.674 17610 872 1 1 . 1 1 158 158 VAL CA C 152 68.314 68.314 66.222 2.093 17610 873 1 1 . 1 1 158 158 VAL CB C 152 31.473 31.473 31.950 -0.477 17610 874 1 1 . 1 1 158 158 VAL H H 152 7.099 7.099 7.979 -0.880 17610 875 1 1 . 1 1 159 159 GLU N N 153 118.087 118.087 118.279 -0.192 17610 876 1 1 . 1 1 159 159 GLU HA H 153 3.305 3.305 3.886 -0.581 17610 877 1 1 . 1 1 159 159 GLU C C 153 177.163 177.163 178.379 -1.216 17610 878 1 1 . 1 1 159 159 GLU CA C 153 60.407 60.407 59.928 0.479 17610 879 1 1 . 1 1 159 159 GLU CB C 153 28.787 28.787 28.549 0.238 17610 880 1 1 . 1 1 159 159 GLU H H 153 8.271 8.271 8.714 -0.443 17610 881 1 1 . 1 1 160 160 ASP N N 154 117.624 117.624 118.760 -1.136 17610 882 1 1 . 1 1 160 160 ASP HA H 154 4.205 4.205 4.578 -0.373 17610 883 1 1 . 1 1 160 160 ASP C C 154 179.366 179.366 177.796 1.570 17610 884 1 1 . 1 1 160 160 ASP CA C 154 57.288 57.288 57.505 -0.217 17610 885 1 1 . 1 1 160 160 ASP CB C 154 40.040 40.040 40.766 -0.725 17610 886 1 1 . 1 1 160 160 ASP H H 154 8.145 8.145 8.625 -0.480 17610 887 1 1 . 1 1 161 161 ALA N N 155 125.270 125.270 121.612 3.658 17610 888 1 1 . 1 1 161 161 ALA HA H 155 3.749 3.749 4.067 -0.318 17610 889 1 1 . 1 1 161 161 ALA C C 155 177.684 177.684 179.576 -1.892 17610 890 1 1 . 1 1 161 161 ALA CA C 155 56.295 56.295 54.701 1.594 17610 891 1 1 . 1 1 161 161 ALA CB C 155 17.397 17.397 18.405 -1.008 17610 892 1 1 . 1 1 161 161 ALA H H 155 8.603 8.603 7.324 1.279 17610 893 1 1 . 1 1 162 162 PHE N N 156 113.772 113.772 118.320 -4.548 17610 894 1 1 . 1 1 162 162 PHE HA H 156 3.912 3.912 4.071 -0.159 17610 895 1 1 . 1 1 162 162 PHE C C 156 177.975 177.975 177.838 0.137 17610 896 1 1 . 1 1 162 162 PHE CA C 156 62.851 62.851 62.232 0.619 17610 897 1 1 . 1 1 162 162 PHE CB C 156 39.472 39.472 38.668 0.804 17610 898 1 1 . 1 1 162 162 PHE H H 156 7.236 7.236 7.434 -0.198 17610 899 1 1 . 1 1 163 163 TYR N N 157 120.499 120.499 117.344 3.155 17610 900 1 1 . 1 1 163 163 TYR HA H 157 4.355 4.355 4.104 0.251 17610 901 1 1 . 1 1 163 163 TYR C C 157 179.097 179.097 178.226 0.871 17610 902 1 1 . 1 1 163 163 TYR CA C 157 58.309 58.309 60.826 -2.517 17610 903 1 1 . 1 1 163 163 TYR CB C 157 35.012 35.012 37.260 -2.248 17610 904 1 1 . 1 1 163 163 TYR H H 157 9.573 9.573 8.539 1.034 17610 905 1 1 . 1 1 164 164 THR N N 158 118.206 118.206 115.655 2.551 17610 906 1 1 . 1 1 164 164 THR HA H 158 3.903 3.903 3.909 -0.006 17610 907 1 1 . 1 1 164 164 THR C C 158 175.656 175.656 176.426 -0.770 17610 908 1 1 . 1 1 164 164 THR CA C 158 67.484 67.484 66.623 0.861 17610 909 1 1 . 1 1 164 164 THR CB C 158 67.819 67.819 68.508 -0.689 17610 910 1 1 . 1 1 164 164 THR H H 158 8.538 8.538 7.670 0.868 17610 911 1 1 . 1 1 165 165 LEU N N 159 122.864 122.864 121.664 1.200 17610 912 1 1 . 1 1 165 165 LEU HA H 159 3.871 3.871 4.064 -0.193 17610 913 1 1 . 1 1 165 165 LEU C C 159 177.513 177.513 178.084 -0.571 17610 914 1 1 . 1 1 165 165 LEU CA C 159 57.991 57.991 58.337 -0.346 17610 915 1 1 . 1 1 165 165 LEU CB C 159 40.181 40.181 40.916 -0.735 17610 916 1 1 . 1 1 165 165 LEU H H 159 7.232 7.232 7.781 -0.549 17610 917 1 1 . 1 1 166 166 VAL N N 160 120.322 120.322 117.737 2.585 17610 918 1 1 . 1 1 166 166 VAL HA H 160 3.045 3.045 3.401 -0.356 17610 919 1 1 . 1 1 166 166 VAL C C 160 177.474 177.474 178.344 -0.870 17610 920 1 1 . 1 1 166 166 VAL CA C 160 67.389 67.389 65.905 1.484 17610 921 1 1 . 1 1 166 166 VAL CB C 160 30.944 30.944 30.290 0.654 17610 922 1 1 . 1 1 166 166 VAL H H 160 7.517 7.517 7.477 0.040 17610 923 1 1 . 1 1 167 167 ARG N N 161 120.151 120.151 119.354 0.797 17610 924 1 1 . 1 1 167 167 ARG HA H 161 3.772 3.772 4.042 -0.270 17610 925 1 1 . 1 1 167 167 ARG C C 161 179.030 179.030 178.909 0.121 17610 926 1 1 . 1 1 167 167 ARG CA C 161 60.935 60.935 58.769 2.167 17610 927 1 1 . 1 1 167 167 ARG CB C 161 29.586 29.586 29.089 0.497 17610 928 1 1 . 1 1 167 167 ARG H H 161 8.044 8.044 7.324 0.720 17610 929 1 1 . 1 1 168 168 GLU N N 162 119.201 119.201 119.893 -0.692 17610 930 1 1 . 1 1 168 168 GLU HA H 162 4.050 4.050 4.096 -0.046 17610 931 1 1 . 1 1 168 168 GLU C C 162 179.805 179.805 179.261 0.544 17610 932 1 1 . 1 1 168 168 GLU CA C 162 58.867 58.867 59.390 -0.523 17610 933 1 1 . 1 1 168 168 GLU CB C 162 30.330 30.330 29.464 0.866 17610 934 1 1 . 1 1 168 168 GLU H H 162 8.171 8.171 7.664 0.507 17610 935 1 1 . 1 1 169 169 ILE N N 163 123.244 123.244 119.843 3.401 17610 936 1 1 . 1 1 169 169 ILE HA H 163 3.583 3.583 3.721 -0.138 17610 937 1 1 . 1 1 169 169 ILE C C 163 178.906 178.906 178.829 0.077 17610 938 1 1 . 1 1 169 169 ILE CA C 163 66.023 66.023 65.569 0.454 17610 939 1 1 . 1 1 169 169 ILE CB C 163 38.204 38.204 37.772 0.432 17610 940 1 1 . 1 1 169 169 ILE H H 163 8.174 8.174 7.994 0.180 17610 941 1 1 . 1 1 170 170 ARG N N 164 119.842 119.842 119.676 0.166 17610 942 1 1 . 1 1 170 170 ARG HA H 164 4.140 4.140 4.022 0.118 17610 943 1 1 . 1 1 170 170 ARG C C 164 177.532 177.532 178.714 -1.182 17610 944 1 1 . 1 1 170 170 ARG CA C 164 58.944 58.944 59.450 -0.506 17610 945 1 1 . 1 1 170 170 ARG CB C 164 31.206 31.206 30.130 1.076 17610 946 1 1 . 1 1 170 170 ARG H H 164 8.405 8.405 8.030 0.375 17610 947 1 1 . 1 1 171 171 GLN N N 165 116.762 116.762 115.442 1.320 17610 948 1 1 . 1 1 171 171 GLN HA H 165 4.343 4.343 4.140 0.203 17610 949 1 1 . 1 1 171 171 GLN C C 165 175.218 175.218 176.508 -1.290 17610 950 1 1 . 1 1 171 171 GLN CA C 165 56.100 56.100 57.888 -1.788 17610 951 1 1 . 1 1 171 171 GLN CB C 165 29.236 29.236 29.329 -0.093 17610 952 1 1 . 1 1 171 171 GLN H H 165 7.646 7.646 7.855 -0.209 17610 953 1 2 . 1 1 8 8 THR N N 2 124.188 124.188 116.589 7.599 17610 954 1 2 . 1 1 8 8 THR HA H 2 3.983 3.983 4.458 -0.475 17610 955 1 2 . 1 1 8 8 THR C C 2 171.971 171.971 173.187 -1.216 17610 956 1 2 . 1 1 8 8 THR CA C 2 63.551 63.551 61.374 2.177 17610 957 1 2 . 1 1 8 8 THR CB C 2 69.619 69.619 70.700 -1.081 17610 958 1 2 . 1 1 8 8 THR H H 2 8.667 8.667 8.324 0.343 17610 959 1 2 . 1 1 9 9 GLU N N 3 127.895 127.895 125.989 1.906 17610 960 1 2 . 1 1 9 9 GLU HA H 3 5.280 5.280 4.424 0.856 17610 961 1 2 . 1 1 9 9 GLU C C 3 175.089 175.089 174.951 0.138 17610 962 1 2 . 1 1 9 9 GLU CA C 3 53.636 53.636 55.819 -2.183 17610 963 1 2 . 1 1 9 9 GLU CB C 3 32.029 32.029 30.343 1.686 17610 964 1 2 . 1 1 9 9 GLU H H 3 8.316 8.316 8.539 -0.223 17610 965 1 2 . 1 1 10 10 TYR N N 4 123.375 123.375 125.375 -2.000 17610 966 1 2 . 1 1 10 10 TYR HA H 4 5.131 5.131 4.609 0.522 17610 967 1 2 . 1 1 10 10 TYR C C 4 174.621 174.621 175.442 -0.821 17610 968 1 2 . 1 1 10 10 TYR CA C 4 56.649 56.649 57.332 -0.683 17610 969 1 2 . 1 1 10 10 TYR CB C 4 41.323 41.323 40.647 0.676 17610 970 1 2 . 1 1 10 10 TYR H H 4 8.739 8.739 7.880 0.859 17610 971 1 2 . 1 1 11 11 LYS N N 5 125.147 125.147 123.497 1.650 17610 972 1 2 . 1 1 11 11 LYS HA H 5 5.168 5.168 4.597 0.571 17610 973 1 2 . 1 1 11 11 LYS C C 5 175.291 175.291 174.678 0.613 17610 974 1 2 . 1 1 11 11 LYS CA C 5 55.145 55.145 55.371 -0.226 17610 975 1 2 . 1 1 11 11 LYS CB C 5 32.225 32.225 33.212 -0.987 17610 976 1 2 . 1 1 11 11 LYS H H 5 9.142 9.142 8.692 0.450 17610 977 1 2 . 1 1 12 12 LEU N N 6 127.306 127.306 125.635 1.671 17610 978 1 2 . 1 1 12 12 LEU HA H 6 4.970 4.970 4.442 0.528 17610 979 1 2 . 1 1 12 12 LEU C C 6 175.298 175.298 174.670 0.628 17610 980 1 2 . 1 1 12 12 LEU CA C 6 52.743 52.743 53.986 -1.242 17610 981 1 2 . 1 1 12 12 LEU CB C 6 43.063 43.063 43.117 -0.054 17610 982 1 2 . 1 1 12 12 LEU H H 6 9.150 9.150 8.211 0.939 17610 983 1 2 . 1 1 13 13 VAL N N 7 123.170 123.170 124.897 -1.727 17610 984 1 2 . 1 1 13 13 VAL HA H 7 4.827 4.827 4.188 0.639 17610 985 1 2 . 1 1 13 13 VAL C C 7 174.230 174.230 175.228 -0.998 17610 986 1 2 . 1 1 13 13 VAL CB C 7 34.048 34.048 31.310 2.738 17610 987 1 2 . 1 1 13 13 VAL H H 7 8.113 8.113 7.830 0.283 17610 988 1 2 . 1 1 14 14 VAL N N 8 129.854 129.854 129.201 0.653 17610 989 1 2 . 1 1 14 14 VAL HA H 8 4.669 4.669 4.430 0.239 17610 990 1 2 . 1 1 14 14 VAL C C 8 175.377 175.377 175.846 -0.469 17610 991 1 2 . 1 1 14 14 VAL CA C 8 61.935 61.935 61.719 0.215 17610 992 1 2 . 1 1 14 14 VAL CB C 8 32.496 32.496 31.495 1.001 17610 993 1 2 . 1 1 14 14 VAL H H 8 8.707 8.707 7.853 0.854 17610 994 1 2 . 1 1 15 15 VAL N N 9 121.835 121.835 119.583 2.252 17610 995 1 2 . 1 1 15 15 VAL HA H 9 4.616 4.616 4.490 0.126 17610 996 1 2 . 1 1 15 15 VAL C C 9 172.824 172.824 174.921 -2.097 17610 997 1 2 . 1 1 15 15 VAL CA C 9 58.963 58.963 58.857 0.106 17610 998 1 2 . 1 1 15 15 VAL CB C 9 35.405 35.405 33.135 2.270 17610 999 1 2 . 1 1 15 15 VAL H H 9 9.107 9.107 8.508 0.599 17610 1000 1 2 . 1 1 16 16 GLY N N 10 109.233 109.233 106.541 2.692 17610 1001 1 2 . 1 1 16 16 GLY C C 10 172.504 172.504 172.952 -0.448 17610 1002 1 2 . 1 1 16 16 GLY CA C 10 43.848 43.848 45.068 -1.220 17610 1003 1 2 . 1 1 16 16 GLY H H 10 7.394 7.394 7.837 -0.443 17610 1004 1 2 . 1 1 17 17 ALA N N 11 123.120 123.120 123.206 -0.086 17610 1005 1 2 . 1 1 17 17 ALA HA H 11 4.547 4.547 4.934 -0.387 17610 1006 1 2 . 1 1 17 17 ALA C C 11 177.371 177.371 177.213 0.158 17610 1007 1 2 . 1 1 17 17 ALA CA C 11 52.236 52.236 51.415 0.821 17610 1008 1 2 . 1 1 17 17 ALA CB C 11 19.807 19.807 20.084 -0.277 17610 1009 1 2 . 1 1 17 17 ALA H H 11 9.054 9.054 8.720 0.334 17610 1010 1 2 . 1 1 18 18 GLY N N 12 107.391 107.391 106.075 1.316 17610 1011 1 2 . 1 1 18 18 GLY C C 12 176.858 176.858 174.781 2.077 17610 1012 1 2 . 1 1 18 18 GLY CA C 12 46.465 46.465 45.052 1.413 17610 1013 1 2 . 1 1 18 18 GLY H H 12 8.694 8.694 8.067 0.627 17610 1014 1 2 . 1 1 19 19 GLY N N 13 114.596 114.596 107.827 6.769 17610 1015 1 2 . 1 1 19 19 GLY C C 13 174.661 174.661 174.055 0.606 17610 1016 1 2 . 1 1 19 19 GLY CA C 13 46.545 46.545 44.776 1.769 17610 1017 1 2 . 1 1 19 19 GLY H H 13 8.916 8.916 8.260 0.656 17610 1018 1 2 . 1 1 20 20 VAL N N 14 113.376 113.376 113.526 -0.150 17610 1019 1 2 . 1 1 20 20 VAL HA H 14 4.008 4.008 4.389 -0.381 17610 1020 1 2 . 1 1 20 20 VAL C C 14 174.469 174.469 175.728 -1.259 17610 1021 1 2 . 1 1 20 20 VAL CA C 14 62.825 62.825 60.104 2.721 17610 1022 1 2 . 1 1 20 20 VAL CB C 14 31.740 31.740 32.623 -0.883 17610 1023 1 2 . 1 1 20 20 VAL H H 14 7.427 7.427 7.682 -0.255 17610 1024 1 2 . 1 1 21 21 GLY N N 15 109.392 109.392 108.121 1.271 17610 1025 1 2 . 1 1 21 21 GLY C C 15 173.254 173.254 175.588 -2.334 17610 1026 1 2 . 1 1 21 21 GLY CA C 15 45.708 45.708 45.363 0.345 17610 1027 1 2 . 1 1 21 21 GLY H H 15 8.388 8.388 8.174 0.214 17610 1028 1 2 . 1 1 22 22 LYS N N 16 124.844 124.844 121.061 3.783 17610 1029 1 2 . 1 1 22 22 LYS HA H 16 3.537 3.537 3.888 -0.351 17610 1030 1 2 . 1 1 22 22 LYS C C 16 179.106 179.106 177.616 1.490 17610 1031 1 2 . 1 1 22 22 LYS CA C 16 60.990 60.990 59.200 1.790 17610 1032 1 2 . 1 1 22 22 LYS CB C 16 29.967 29.967 31.986 -2.019 17610 1033 1 2 . 1 1 22 22 LYS H H 16 9.097 9.097 8.533 0.564 17610 1034 1 2 . 1 1 23 23 SER N N 17 121.228 121.228 115.923 5.305 17610 1035 1 2 . 1 1 23 23 SER HA H 17 4.292 4.292 4.232 0.060 17610 1036 1 2 . 1 1 23 23 SER C C 17 175.697 175.697 176.371 -0.674 17610 1037 1 2 . 1 1 23 23 SER CA C 17 61.346 61.346 61.180 0.166 17610 1038 1 2 . 1 1 23 23 SER CB C 17 61.337 61.337 62.069 -0.731 17610 1039 1 2 . 1 1 23 23 SER H H 17 9.546 9.546 8.473 1.073 17610 1040 1 2 . 1 1 24 24 ALA N N 18 126.557 126.557 125.393 1.164 17610 1041 1 2 . 1 1 24 24 ALA HA H 18 3.946 3.946 3.902 0.044 17610 1042 1 2 . 1 1 24 24 ALA C C 18 181.834 181.834 179.735 2.099 17610 1043 1 2 . 1 1 24 24 ALA CA C 18 54.587 54.587 54.912 -0.325 17610 1044 1 2 . 1 1 24 24 ALA CB C 18 18.539 18.539 18.212 0.327 17610 1045 1 2 . 1 1 24 24 ALA H H 18 9.189 9.189 7.942 1.247 17610 1046 1 2 . 1 1 25 25 LEU N N 19 121.712 121.712 118.881 2.831 17610 1047 1 2 . 1 1 25 25 LEU HA H 19 3.878 3.878 3.877 0.001 17610 1048 1 2 . 1 1 25 25 LEU C C 19 177.485 177.485 179.690 -2.205 17610 1049 1 2 . 1 1 25 25 LEU CA C 19 58.729 58.729 58.218 0.511 17610 1050 1 2 . 1 1 25 25 LEU CB C 19 43.227 43.227 41.774 1.453 17610 1051 1 2 . 1 1 25 25 LEU H H 19 8.817 8.817 8.321 0.496 17610 1052 1 2 . 1 1 26 26 THR N N 20 118.148 118.148 115.653 2.495 17610 1053 1 2 . 1 1 26 26 THR HA H 20 3.401 3.401 3.822 -0.421 17610 1054 1 2 . 1 1 26 26 THR C C 20 175.714 175.714 176.759 -1.045 17610 1055 1 2 . 1 1 26 26 THR CA C 20 68.122 68.122 67.070 1.052 17610 1056 1 2 . 1 1 26 26 THR CB C 20 68.196 68.196 68.865 -0.669 17610 1057 1 2 . 1 1 26 26 THR H H 20 7.517 7.517 7.733 -0.216 17610 1058 1 2 . 1 1 27 27 ILE N N 21 121.987 121.987 121.628 0.359 17610 1059 1 2 . 1 1 27 27 ILE HA H 21 3.302 3.302 3.541 -0.239 17610 1060 1 2 . 1 1 27 27 ILE C C 21 175.380 175.380 177.853 -2.473 17610 1061 1 2 . 1 1 27 27 ILE CA C 21 64.278 64.278 64.258 0.020 17610 1062 1 2 . 1 1 27 27 ILE CB C 21 36.758 36.758 37.710 -0.952 17610 1063 1 2 . 1 1 27 27 ILE H H 21 8.950 8.950 8.015 0.935 17610 1064 1 2 . 1 1 28 28 GLN N N 22 121.898 121.898 119.365 2.533 17610 1065 1 2 . 1 1 28 28 GLN HA H 22 4.334 4.334 4.131 0.203 17610 1066 1 2 . 1 1 28 28 GLN C C 22 179.058 179.058 178.905 0.153 17610 1067 1 2 . 1 1 28 28 GLN CA C 22 58.796 58.796 58.482 0.314 17610 1068 1 2 . 1 1 28 28 GLN CB C 22 29.752 29.752 28.498 1.254 17610 1069 1 2 . 1 1 28 28 GLN H H 22 8.094 8.094 8.517 -0.423 17610 1070 1 2 . 1 1 29 29 LEU N N 23 121.426 121.426 119.387 2.039 17610 1071 1 2 . 1 1 29 29 LEU HA H 23 3.765 3.765 4.130 -0.365 17610 1072 1 2 . 1 1 29 29 LEU C C 23 178.155 178.155 177.051 1.104 17610 1073 1 2 . 1 1 29 29 LEU CA C 23 58.304 58.304 56.802 1.502 17610 1074 1 2 . 1 1 29 29 LEU CB C 23 40.637 40.637 41.884 -1.247 17610 1075 1 2 . 1 1 29 29 LEU H H 23 7.746 7.746 7.555 0.191 17610 1076 1 2 . 1 1 30 30 ILE N N 24 115.325 115.325 116.342 -1.017 17610 1077 1 2 . 1 1 30 30 ILE HA H 24 3.697 3.697 4.013 -0.316 17610 1078 1 2 . 1 1 30 30 ILE C C 24 177.421 177.421 177.230 0.191 17610 1079 1 2 . 1 1 30 30 ILE CA C 24 62.050 62.050 62.426 -0.376 17610 1080 1 2 . 1 1 30 30 ILE CB C 24 37.183 37.183 37.377 -0.194 17610 1081 1 2 . 1 1 30 30 ILE H H 24 8.115 8.115 6.982 1.133 17610 1082 1 2 . 1 1 31 31 GLN N N 25 117.213 117.213 117.240 -0.027 17610 1083 1 2 . 1 1 31 31 GLN HA H 25 4.539 4.539 4.154 0.385 17610 1084 1 2 . 1 1 31 31 GLN C C 25 176.149 176.149 176.526 -0.377 17610 1085 1 2 . 1 1 31 31 GLN CA C 25 55.234 55.234 56.234 -1.000 17610 1086 1 2 . 1 1 31 31 GLN CB C 25 30.184 30.184 29.591 0.593 17610 1087 1 2 . 1 1 31 31 GLN H H 25 8.887 8.887 8.019 0.868 17610 1088 1 2 . 1 1 32 32 ASN N N 26 117.820 117.820 114.907 2.913 17610 1089 1 2 . 1 1 32 32 ASN HA H 26 4.807 4.807 4.557 0.250 17610 1090 1 2 . 1 1 32 32 ASN C C 26 174.051 174.051 173.828 0.223 17610 1091 1 2 . 1 1 32 32 ASN CA C 26 54.310 54.310 54.344 -0.034 17610 1092 1 2 . 1 1 32 32 ASN CB C 26 37.184 37.184 37.340 -0.156 17610 1093 1 2 . 1 1 32 32 ASN H H 26 7.982 7.982 8.353 -0.371 17610 1094 1 2 . 1 1 33 33 HIS N N 27 112.968 112.968 115.907 -2.939 17610 1095 1 2 . 1 1 33 33 HIS HA H 27 4.889 4.889 4.758 0.131 17610 1096 1 2 . 1 1 33 33 HIS C C 27 172.514 172.514 173.277 -0.763 17610 1097 1 2 . 1 1 33 33 HIS CA C 27 54.314 54.314 54.469 -0.155 17610 1098 1 2 . 1 1 33 33 HIS CB C 27 32.616 32.616 31.667 0.949 17610 1099 1 2 . 1 1 33 33 HIS H H 27 6.804 6.804 7.606 -0.802 17610 1100 1 2 . 1 1 34 34 PHE N N 28 123.605 123.605 120.961 2.644 17610 1101 1 2 . 1 1 34 34 PHE HA H 28 4.914 4.914 4.338 0.576 17610 1102 1 2 . 1 1 34 34 PHE C C 28 174.641 174.641 174.838 -0.197 17610 1103 1 2 . 1 1 34 34 PHE CA C 28 55.754 55.754 56.198 -0.444 17610 1104 1 2 . 1 1 34 34 PHE CB C 28 40.573 40.573 40.207 0.366 17610 1105 1 2 . 1 1 34 34 PHE H H 28 8.462 8.462 8.286 0.176 17610 1106 1 2 . 1 1 35 35 VAL N N 29 126.695 126.695 122.866 3.829 17610 1107 1 2 . 1 1 35 35 VAL HA H 29 3.911 3.911 3.964 -0.053 17610 1108 1 2 . 1 1 35 35 VAL C C 29 173.764 173.764 175.266 -1.502 17610 1109 1 2 . 1 1 35 35 VAL CA C 29 61.275 61.275 62.777 -1.502 17610 1110 1 2 . 1 1 35 35 VAL CB C 29 33.154 33.154 32.078 1.076 17610 1111 1 2 . 1 1 35 35 VAL H H 29 7.537 7.537 7.888 -0.351 17610 1112 1 2 . 1 1 36 36 ASP N N 30 123.271 123.271 125.944 -2.673 17610 1113 1 2 . 1 1 36 36 ASP HA H 30 4.185 4.185 4.792 -0.607 17610 1114 1 2 . 1 1 36 36 ASP C C 30 176.129 176.129 174.931 1.198 17610 1115 1 2 . 1 1 36 36 ASP CA C 30 54.662 54.662 54.597 0.065 17610 1116 1 2 . 1 1 36 36 ASP CB C 30 41.323 41.323 41.615 -0.292 17610 1117 1 2 . 1 1 36 36 ASP H H 30 7.618 7.618 8.900 -1.282 17610 1118 1 2 . 1 1 37 37 GLU N N 31 119.730 119.730 118.932 0.798 17610 1119 1 2 . 1 1 37 37 GLU HA H 31 4.262 4.262 4.354 -0.092 17610 1120 1 2 . 1 1 37 37 GLU C C 31 174.901 174.901 174.383 0.518 17610 1121 1 2 . 1 1 37 37 GLU CA C 31 56.137 56.137 56.176 -0.039 17610 1122 1 2 . 1 1 37 37 GLU CB C 31 30.459 30.459 29.392 1.067 17610 1123 1 2 . 1 1 37 37 GLU H H 31 7.857 7.857 7.982 -0.125 17610 1124 1 2 . 1 1 38 38 TYR N N 32 123.296 123.296 116.961 6.335 17610 1125 1 2 . 1 1 38 38 TYR HA H 32 4.486 4.486 5.058 -0.572 17610 1126 1 2 . 1 1 38 38 TYR C C 32 174.370 174.370 174.182 0.188 17610 1127 1 2 . 1 1 38 38 TYR CA C 32 57.511 57.511 57.464 0.047 17610 1128 1 2 . 1 1 38 38 TYR CB C 32 39.199 39.199 39.514 -0.315 17610 1129 1 2 . 1 1 38 38 TYR H H 32 8.244 8.244 7.611 0.633 17610 1130 1 2 . 1 1 39 39 ASP N N 33 127.452 127.452 120.711 6.741 17610 1131 1 2 . 1 1 39 39 ASP HA H 33 4.891 4.891 5.020 -0.129 17610 1132 1 2 . 1 1 39 39 ASP CA C 33 51.207 51.207 51.650 -0.443 17610 1133 1 2 . 1 1 39 39 ASP CB C 33 41.837 41.837 42.769 -0.932 17610 1134 1 2 . 1 1 39 39 ASP H H 33 8.158 8.158 8.234 -0.076 17610 1135 1 2 . 1 1 40 40 PRO HA H 34 4.405 4.405 4.587 -0.182 17610 1136 1 2 . 1 1 40 40 PRO C C 34 176.938 176.938 176.139 0.799 17610 1137 1 2 . 1 1 40 40 PRO CA C 34 63.068 63.068 63.449 -0.381 17610 1138 1 2 . 1 1 40 40 PRO CB C 34 32.089 32.089 32.444 -0.355 17610 1139 1 2 . 1 1 41 41 SER N N 35 117.575 117.575 115.954 1.621 17610 1140 1 2 . 1 1 41 41 SER HA H 35 4.433 4.433 4.155 0.278 17610 1141 1 2 . 1 1 41 41 SER C C 35 174.777 174.777 174.535 0.242 17610 1142 1 2 . 1 1 41 41 SER CA C 35 58.346 58.346 58.941 -0.595 17610 1143 1 2 . 1 1 41 41 SER CB C 35 63.704 63.704 62.231 1.472 17610 1144 1 2 . 1 1 41 41 SER H H 35 8.495 8.495 8.524 -0.029 17610 1145 1 2 . 1 1 42 42 ILE N N 36 123.018 123.018 119.178 3.840 17610 1146 1 2 . 1 1 42 42 ILE HA H 36 4.219 4.219 4.341 -0.122 17610 1147 1 2 . 1 1 42 42 ILE C C 36 175.966 175.966 176.562 -0.596 17610 1148 1 2 . 1 1 42 42 ILE CA C 36 61.665 61.665 60.703 0.962 17610 1149 1 2 . 1 1 42 42 ILE CB C 36 38.745 38.745 38.601 0.144 17610 1150 1 2 . 1 1 42 42 ILE H H 36 7.919 7.919 8.208 -0.289 17610 1151 1 2 . 1 1 43 43 GLU N N 37 124.699 124.699 118.770 5.929 17610 1152 1 2 . 1 1 43 43 GLU HA H 37 4.381 4.381 3.835 0.546 17610 1153 1 2 . 1 1 43 43 GLU C C 37 179.069 179.069 175.492 3.577 17610 1154 1 2 . 1 1 43 43 GLU CA C 37 56.223 56.223 57.786 -1.563 17610 1155 1 2 . 1 1 43 43 GLU CB C 37 30.616 30.616 28.176 2.440 17610 1156 1 2 . 1 1 43 43 GLU H H 37 8.201 8.201 8.607 -0.406 17610 1157 1 2 . 1 1 44 44 ASP N N 38 121.902 121.902 118.087 3.815 17610 1158 1 2 . 1 1 44 44 ASP HA H 38 4.622 4.622 4.669 -0.047 17610 1159 1 2 . 1 1 44 44 ASP C C 38 174.634 174.634 175.443 -0.809 17610 1160 1 2 . 1 1 44 44 ASP CA C 38 54.095 54.095 53.294 0.801 17610 1161 1 2 . 1 1 44 44 ASP CB C 38 41.837 41.837 40.172 1.665 17610 1162 1 2 . 1 1 44 44 ASP H H 38 8.094 8.094 8.279 -0.185 17610 1163 1 2 . 1 1 45 45 SER N N 39 114.779 114.779 114.394 0.385 17610 1164 1 2 . 1 1 45 45 SER HA H 39 4.923 4.923 3.665 1.258 17610 1165 1 2 . 1 1 45 45 SER C C 39 173.339 173.339 173.171 0.168 17610 1166 1 2 . 1 1 45 45 SER CA C 39 57.023 57.023 58.706 -1.683 17610 1167 1 2 . 1 1 45 45 SER CB C 39 64.751 64.751 63.672 1.079 17610 1168 1 2 . 1 1 45 45 SER H H 39 7.792 7.792 7.541 0.251 17610 1169 1 2 . 1 1 46 46 TYR N N 40 124.235 124.235 115.746 8.489 17610 1170 1 2 . 1 1 46 46 TYR HA H 40 4.662 4.662 4.771 -0.109 17610 1171 1 2 . 1 1 46 46 TYR C C 40 173.910 173.910 173.875 0.035 17610 1172 1 2 . 1 1 46 46 TYR CA C 40 56.944 56.944 56.526 0.418 17610 1173 1 2 . 1 1 46 46 TYR CB C 40 41.323 41.323 41.536 -0.213 17610 1174 1 2 . 1 1 46 46 TYR H H 40 8.976 8.976 7.855 1.121 17610 1175 1 2 . 1 1 47 47 ARG N N 41 121.906 121.906 117.639 4.267 17610 1176 1 2 . 1 1 47 47 ARG HA H 41 5.802 5.802 5.132 0.670 17610 1177 1 2 . 1 1 47 47 ARG C C 41 176.150 176.150 174.668 1.482 17610 1178 1 2 . 1 1 47 47 ARG CA C 41 54.129 54.129 54.321 -0.192 17610 1179 1 2 . 1 1 47 47 ARG CB C 41 34.105 34.105 34.033 0.072 17610 1180 1 2 . 1 1 47 47 ARG H H 41 8.238 8.238 8.408 -0.170 17610 1181 1 2 . 1 1 48 48 LYS N N 42 123.924 123.924 118.975 4.949 17610 1182 1 2 . 1 1 48 48 LYS HA H 42 4.508 4.508 4.450 0.058 17610 1183 1 2 . 1 1 48 48 LYS C C 42 173.710 173.710 174.258 -0.548 17610 1184 1 2 . 1 1 48 48 LYS CA C 42 55.651 55.651 55.627 0.025 17610 1185 1 2 . 1 1 48 48 LYS CB C 42 38.139 38.139 36.758 1.381 17610 1186 1 2 . 1 1 48 48 LYS H H 42 8.705 8.705 8.170 0.535 17610 1187 1 2 . 1 1 49 49 GLN N N 43 130.301 130.301 125.411 4.890 17610 1188 1 2 . 1 1 49 49 GLN HA H 43 5.230 5.230 4.605 0.625 17610 1189 1 2 . 1 1 49 49 GLN C C 43 175.254 175.254 175.041 0.213 17610 1190 1 2 . 1 1 49 49 GLN CA C 43 55.496 55.496 55.055 0.441 17610 1191 1 2 . 1 1 49 49 GLN CB C 43 29.892 29.892 29.888 0.004 17610 1192 1 2 . 1 1 49 49 GLN H H 43 8.897 8.897 8.576 0.321 17610 1193 1 2 . 1 1 50 50 VAL N N 44 122.354 122.354 121.381 0.973 17610 1194 1 2 . 1 1 50 50 VAL HA H 44 4.772 4.772 4.681 0.091 17610 1195 1 2 . 1 1 50 50 VAL C C 44 173.116 173.116 173.438 -0.322 17610 1196 1 2 . 1 1 50 50 VAL CA C 44 59.238 59.238 59.358 -0.120 17610 1197 1 2 . 1 1 50 50 VAL CB C 44 35.888 35.888 35.699 0.189 17610 1198 1 2 . 1 1 50 50 VAL H H 44 9.104 9.104 8.314 0.790 17610 1199 1 2 . 1 1 51 51 VAL N N 45 122.385 122.385 120.802 1.583 17610 1200 1 2 . 1 1 51 51 VAL HA H 45 4.462 4.462 4.280 0.182 17610 1201 1 2 . 1 1 51 51 VAL C C 45 175.450 175.450 175.088 0.362 17610 1202 1 2 . 1 1 51 51 VAL CA C 45 61.832 61.832 61.964 -0.132 17610 1203 1 2 . 1 1 51 51 VAL CB C 45 32.228 32.228 31.209 1.019 17610 1204 1 2 . 1 1 51 51 VAL H H 45 8.100 8.100 8.257 -0.157 17610 1205 1 2 . 1 1 52 52 ILE N N 46 126.953 126.953 127.537 -0.584 17610 1206 1 2 . 1 1 52 52 ILE HA H 46 3.995 3.995 4.205 -0.210 17610 1207 1 2 . 1 1 52 52 ILE C C 46 176.424 176.424 176.036 0.388 17610 1208 1 2 . 1 1 52 52 ILE CA C 46 60.343 60.343 60.429 -0.086 17610 1209 1 2 . 1 1 52 52 ILE CB C 46 40.096 40.096 39.875 0.221 17610 1210 1 2 . 1 1 52 52 ILE H H 46 8.118 8.118 7.783 0.335 17610 1211 1 2 . 1 1 53 53 ASP N N 47 132.206 132.206 126.674 5.532 17610 1212 1 2 . 1 1 53 53 ASP HA H 47 4.267 4.267 4.372 -0.105 17610 1213 1 2 . 1 1 53 53 ASP C C 47 176.121 176.121 176.200 -0.079 17610 1214 1 2 . 1 1 53 53 ASP CA C 47 55.267 55.267 55.040 0.227 17610 1215 1 2 . 1 1 53 53 ASP CB C 47 39.203 39.203 39.573 -0.370 17610 1216 1 2 . 1 1 53 53 ASP H H 47 9.605 9.605 9.141 0.464 17610 1217 1 2 . 1 1 54 54 GLY N N 48 104.275 104.275 104.187 0.088 17610 1218 1 2 . 1 1 54 54 GLY C C 48 173.219 173.219 173.955 -0.736 17610 1219 1 2 . 1 1 54 54 GLY CA C 48 45.318 45.318 45.608 -0.290 17610 1220 1 2 . 1 1 54 54 GLY H H 48 8.332 8.332 8.497 -0.165 17610 1221 1 2 . 1 1 55 55 GLU N N 49 123.384 123.384 119.803 3.581 17610 1222 1 2 . 1 1 55 55 GLU HA H 49 4.691 4.691 4.604 0.087 17610 1223 1 2 . 1 1 55 55 GLU C C 49 175.614 175.614 175.476 0.138 17610 1224 1 2 . 1 1 55 55 GLU CA C 49 54.719 54.719 54.906 -0.187 17610 1225 1 2 . 1 1 55 55 GLU CB C 49 31.803 31.803 32.079 -0.276 17610 1226 1 2 . 1 1 55 55 GLU H H 49 7.684 7.684 7.638 0.046 17610 1227 1 2 . 1 1 56 56 THR N N 50 127.153 127.153 123.564 3.589 17610 1228 1 2 . 1 1 56 56 THR HA H 50 4.727 4.727 4.477 0.250 17610 1229 1 2 . 1 1 56 56 THR C C 50 173.530 173.530 174.039 -0.509 17610 1230 1 2 . 1 1 56 56 THR CA C 50 63.521 63.521 64.514 -0.993 17610 1231 1 2 . 1 1 56 56 THR CB C 50 68.478 68.478 69.052 -0.575 17610 1232 1 2 . 1 1 56 56 THR H H 50 8.951 8.951 8.589 0.362 17610 1233 1 2 . 1 1 57 57 CYS N N 51 124.835 124.835 123.559 1.276 17610 1234 1 2 . 1 1 57 57 CYS HA H 51 5.086 5.086 4.768 0.318 17610 1235 1 2 . 1 1 57 57 CYS C C 51 170.937 170.937 173.058 -2.121 17610 1236 1 2 . 1 1 57 57 CYS CA C 51 56.423 56.423 57.962 -1.539 17610 1237 1 2 . 1 1 57 57 CYS CB C 51 31.549 31.549 31.443 0.106 17610 1238 1 2 . 1 1 57 57 CYS H H 51 9.424 9.424 8.479 0.945 17610 1239 1 2 . 1 1 58 58 LEU N N 52 123.111 123.111 122.535 0.576 17610 1240 1 2 . 1 1 58 58 LEU HA H 52 4.943 4.943 4.763 0.180 17610 1241 1 2 . 1 1 58 58 LEU C C 52 175.044 175.044 176.145 -1.101 17610 1242 1 2 . 1 1 58 58 LEU CA C 52 53.372 53.372 54.594 -1.222 17610 1243 1 2 . 1 1 58 58 LEU CB C 52 44.304 44.304 43.264 1.040 17610 1244 1 2 . 1 1 58 58 LEU H H 52 8.803 8.803 8.853 -0.050 17610 1245 1 2 . 1 1 59 59 LEU N N 53 124.540 124.540 124.235 0.305 17610 1246 1 2 . 1 1 59 59 LEU HA H 53 4.888 4.888 4.572 0.316 17610 1247 1 2 . 1 1 59 59 LEU C C 53 174.358 174.358 175.344 -0.986 17610 1248 1 2 . 1 1 59 59 LEU CA C 53 53.490 53.490 53.688 -0.198 17610 1249 1 2 . 1 1 59 59 LEU CB C 53 42.195 42.195 42.493 -0.298 17610 1250 1 2 . 1 1 59 59 LEU H H 53 9.054 9.054 9.068 -0.014 17610 1251 1 2 . 1 1 60 60 ASP N N 54 126.666 126.666 124.570 2.096 17610 1252 1 2 . 1 1 60 60 ASP HA H 54 5.225 5.225 4.747 0.478 17610 1253 1 2 . 1 1 60 60 ASP C C 54 174.846 174.846 175.423 -0.577 17610 1254 1 2 . 1 1 60 60 ASP CA C 54 53.040 53.040 54.580 -1.540 17610 1255 1 2 . 1 1 60 60 ASP CB C 54 42.622 42.622 40.704 1.918 17610 1256 1 2 . 1 1 60 60 ASP H H 54 8.739 8.739 8.093 0.646 17610 1257 1 2 . 1 1 61 61 ILE N N 55 125.100 125.100 124.059 1.041 17610 1258 1 2 . 1 1 61 61 ILE HA H 55 4.690 4.690 3.962 0.728 17610 1259 1 2 . 1 1 61 61 ILE C C 55 174.745 174.745 174.822 -0.077 17610 1260 1 2 . 1 1 61 61 ILE CA C 55 60.331 60.331 59.373 0.958 17610 1261 1 2 . 1 1 61 61 ILE CB C 55 39.682 39.682 36.454 3.228 17610 1262 1 2 . 1 1 61 61 ILE H H 55 9.115 9.115 7.888 1.227 17610 1263 1 2 . 1 1 62 62 LEU N N 56 131.208 131.208 130.263 0.945 17610 1264 1 2 . 1 1 62 62 LEU HA H 56 4.667 4.667 4.292 0.375 17610 1265 1 2 . 1 1 62 62 LEU C C 56 174.063 174.063 174.688 -0.625 17610 1266 1 2 . 1 1 62 62 LEU CA C 56 53.795 53.795 54.711 -0.916 17610 1267 1 2 . 1 1 62 62 LEU CB C 56 42.256 42.256 43.342 -1.086 17610 1268 1 2 . 1 1 62 62 LEU H H 56 9.014 9.014 8.224 0.790 17610 1269 1 2 . 1 1 63 63 ASP N N 57 128.415 128.415 127.406 1.009 17610 1270 1 2 . 1 1 63 63 ASP HA H 57 4.783 4.783 4.758 0.025 17610 1271 1 2 . 1 1 63 63 ASP C C 57 176.341 176.341 175.649 0.692 17610 1272 1 2 . 1 1 63 63 ASP CA C 57 52.988 52.988 51.400 1.588 17610 1273 1 2 . 1 1 63 63 ASP CB C 57 41.837 41.837 40.526 1.311 17610 1274 1 2 . 1 1 63 63 ASP H H 57 8.657 8.657 8.498 0.159 17610 1275 1 2 . 1 1 64 64 THR N N 58 114.950 114.950 114.147 0.803 17610 1276 1 2 . 1 1 64 64 THR HA H 58 4.425 4.425 4.079 0.346 17610 1277 1 2 . 1 1 64 64 THR C C 58 172.734 172.734 174.740 -2.006 17610 1278 1 2 . 1 1 64 64 THR CA C 58 61.488 61.488 60.759 0.729 17610 1279 1 2 . 1 1 64 64 THR CB C 58 71.398 71.398 69.642 1.756 17610 1280 1 2 . 1 1 64 64 THR H H 58 7.369 7.369 7.382 -0.013 17610 1281 1 2 . 1 1 65 65 ALA N N 59 123.940 123.940 120.920 3.020 17610 1282 1 2 . 1 1 65 65 ALA HA H 59 4.764 4.764 4.231 0.533 17610 1283 1 2 . 1 1 65 65 ALA C C 59 179.480 179.480 179.143 0.337 17610 1284 1 2 . 1 1 65 65 ALA CA C 59 51.422 51.422 52.921 -1.499 17610 1285 1 2 . 1 1 65 65 ALA CB C 59 20.796 20.796 19.243 1.553 17610 1286 1 2 . 1 1 65 65 ALA H H 59 8.329 8.329 8.062 0.267 17610 1287 1 2 . 1 1 66 66 GLY N N 60 112.527 112.527 105.774 6.753 17610 1288 1 2 . 1 1 66 66 GLY C C 60 174.938 174.938 173.922 1.016 17610 1289 1 2 . 1 1 66 66 GLY CA C 60 46.057 46.057 44.897 1.160 17610 1290 1 2 . 1 1 66 66 GLY H H 60 9.397 9.397 8.744 0.653 17610 1291 1 2 . 1 1 67 67 GLN N N 61 120.877 120.877 115.935 4.942 17610 1292 1 2 . 1 1 67 67 GLN HA H 61 4.422 4.422 4.149 0.273 17610 1293 1 2 . 1 1 67 67 GLN C C 61 176.298 176.298 173.922 2.376 17610 1294 1 2 . 1 1 67 67 GLN CA C 61 56.355 56.355 56.528 -0.173 17610 1295 1 2 . 1 1 67 67 GLN CB C 61 29.438 29.438 28.225 1.213 17610 1296 1 2 . 1 1 67 67 GLN H H 61 8.237 8.237 8.109 0.128 17610 1297 1 2 . 1 1 68 68 GLU N N 62 123.751 123.751 120.260 3.491 17610 1298 1 2 . 1 1 68 68 GLU HA H 62 4.208 4.208 4.633 -0.425 17610 1299 1 2 . 1 1 68 68 GLU C C 62 177.032 177.032 175.997 1.035 17610 1300 1 2 . 1 1 68 68 GLU CA C 62 57.801 57.801 55.888 1.913 17610 1301 1 2 . 1 1 68 68 GLU CB C 62 29.834 29.834 30.942 -1.109 17610 1302 1 2 . 1 1 68 68 GLU H H 62 8.738 8.738 8.289 0.449 17610 1303 1 2 . 1 1 69 69 GLU N N 63 121.861 121.861 119.070 2.791 17610 1304 1 2 . 1 1 69 69 GLU HA H 63 4.228 4.228 4.030 0.198 17610 1305 1 2 . 1 1 69 69 GLU C C 63 176.145 176.145 174.675 1.470 17610 1306 1 2 . 1 1 69 69 GLU CA C 63 57.026 57.026 57.906 -0.880 17610 1307 1 2 . 1 1 69 69 GLU CB C 63 30.231 30.231 28.722 1.509 17610 1308 1 2 . 1 1 69 69 GLU H H 63 8.607 8.607 8.918 -0.311 17610 1309 1 2 . 1 1 70 70 TYR N N 64 121.801 121.801 118.154 3.647 17610 1310 1 2 . 1 1 70 70 TYR HA H 64 4.587 4.587 4.672 -0.085 17610 1311 1 2 . 1 1 70 70 TYR C C 64 175.965 175.965 174.865 1.100 17610 1312 1 2 . 1 1 70 70 TYR CA C 64 58.160 58.160 57.550 0.610 17610 1313 1 2 . 1 1 70 70 TYR CB C 64 38.288 38.288 41.119 -2.831 17610 1314 1 2 . 1 1 70 70 TYR H H 64 8.225 8.225 7.675 0.550 17610 1315 1 2 . 1 1 71 71 SER N N 65 120.137 120.137 113.563 6.574 17610 1316 1 2 . 1 1 71 71 SER HA H 65 4.269 4.269 4.462 -0.193 17610 1317 1 2 . 1 1 71 71 SER C C 65 174.912 174.912 175.409 -0.497 17610 1318 1 2 . 1 1 71 71 SER CA C 65 58.755 58.755 58.963 -0.208 17610 1319 1 2 . 1 1 71 71 SER CB C 65 63.755 63.755 63.937 -0.182 17610 1320 1 2 . 1 1 71 71 SER H H 65 7.884 7.884 8.664 -0.780 17610 1321 1 2 . 1 1 72 72 ALA N N 66 127.848 127.848 126.104 1.744 17610 1322 1 2 . 1 1 72 72 ALA HA H 66 4.193 4.193 4.105 0.088 17610 1323 1 2 . 1 1 72 72 ALA C C 66 179.820 179.820 180.110 -0.290 17610 1324 1 2 . 1 1 72 72 ALA CA C 66 54.595 54.595 54.934 -0.339 17610 1325 1 2 . 1 1 72 72 ALA CB C 66 18.264 18.264 18.384 -0.120 17610 1326 1 2 . 1 1 72 72 ALA H H 66 8.706 8.706 8.293 0.413 17610 1327 1 2 . 1 1 73 73 MET N N 67 118.448 118.448 116.692 1.756 17610 1328 1 2 . 1 1 73 73 MET HA H 67 4.271 4.271 4.035 0.236 17610 1329 1 2 . 1 1 73 73 MET C C 67 177.098 177.098 177.749 -0.651 17610 1330 1 2 . 1 1 73 73 MET CA C 67 56.915 56.915 57.641 -0.726 17610 1331 1 2 . 1 1 73 73 MET CB C 67 32.031 32.031 31.552 0.478 17610 1332 1 2 . 1 1 73 73 MET H H 67 8.007 8.007 8.074 -0.067 17610 1333 1 2 . 1 1 74 74 ARG N N 68 121.351 121.351 119.264 2.087 17610 1334 1 2 . 1 1 74 74 ARG HA H 68 3.793 3.793 4.126 -0.333 17610 1335 1 2 . 1 1 74 74 ARG C C 68 177.730 177.730 178.597 -0.867 17610 1336 1 2 . 1 1 74 74 ARG CA C 68 59.093 59.093 59.473 -0.380 17610 1337 1 2 . 1 1 74 74 ARG CB C 68 30.118 30.118 29.509 0.610 17610 1338 1 2 . 1 1 74 74 ARG H H 68 7.761 7.761 8.250 -0.489 17610 1339 1 2 . 1 1 75 75 ASP N N 69 119.938 119.938 118.568 1.370 17610 1340 1 2 . 1 1 75 75 ASP HA H 69 4.286 4.286 4.414 -0.128 17610 1341 1 2 . 1 1 75 75 ASP C C 69 177.998 177.998 178.036 -0.038 17610 1342 1 2 . 1 1 75 75 ASP CA C 69 57.555 57.555 57.986 -0.431 17610 1343 1 2 . 1 1 75 75 ASP CB C 69 40.401 40.401 40.910 -0.509 17610 1344 1 2 . 1 1 75 75 ASP H H 69 8.077 8.077 7.946 0.131 17610 1345 1 2 . 1 1 76 76 GLN N N 70 119.151 119.151 119.736 -0.585 17610 1346 1 2 . 1 1 76 76 GLN HA H 70 4.050 4.050 4.036 0.014 17610 1347 1 2 . 1 1 76 76 GLN C C 70 178.837 178.837 178.257 0.580 17610 1348 1 2 . 1 1 76 76 GLN CA C 70 58.920 58.920 58.185 0.735 17610 1349 1 2 . 1 1 76 76 GLN CB C 70 28.063 28.063 27.830 0.233 17610 1350 1 2 . 1 1 76 76 GLN H H 70 7.789 7.789 7.254 0.535 17610 1351 1 2 . 1 1 77 77 TYR N N 71 119.847 119.847 118.562 1.285 17610 1352 1 2 . 1 1 77 77 TYR HA H 71 4.548 4.548 4.568 -0.020 17610 1353 1 2 . 1 1 77 77 TYR C C 71 178.680 178.680 177.850 0.830 17610 1354 1 2 . 1 1 77 77 TYR CA C 71 58.785 58.785 59.673 -0.888 17610 1355 1 2 . 1 1 77 77 TYR CB C 71 36.986 36.986 37.893 -0.907 17610 1356 1 2 . 1 1 77 77 TYR H H 71 8.131 8.131 7.079 1.052 17610 1357 1 2 . 1 1 78 78 MET N N 72 119.987 119.987 116.270 3.717 17610 1358 1 2 . 1 1 78 78 MET HA H 72 4.402 4.402 4.323 0.079 17610 1359 1 2 . 1 1 78 78 MET C C 72 177.008 177.008 179.035 -2.027 17610 1360 1 2 . 1 1 78 78 MET CA C 72 59.028 59.028 59.634 -0.606 17610 1361 1 2 . 1 1 78 78 MET CB C 72 32.709 32.709 32.681 0.028 17610 1362 1 2 . 1 1 78 78 MET H H 72 8.380 8.380 8.150 0.230 17610 1363 1 2 . 1 1 79 79 ARG N N 73 117.792 117.792 116.396 1.396 17610 1364 1 2 . 1 1 79 79 ARG HA H 73 3.914 3.914 4.160 -0.246 17610 1365 1 2 . 1 1 79 79 ARG C C 73 178.169 178.169 177.326 0.843 17610 1366 1 2 . 1 1 79 79 ARG CA C 73 59.493 59.493 59.093 0.401 17610 1367 1 2 . 1 1 79 79 ARG CB C 73 30.100 30.100 30.407 -0.307 17610 1368 1 2 . 1 1 79 79 ARG H H 73 7.992 7.992 7.668 0.324 17610 1369 1 2 . 1 1 80 80 THR N N 74 110.012 110.012 107.499 2.513 17610 1370 1 2 . 1 1 80 80 THR HA H 74 4.242 4.242 4.421 -0.179 17610 1371 1 2 . 1 1 80 80 THR C C 74 175.640 175.640 174.290 1.350 17610 1372 1 2 . 1 1 80 80 THR CA C 74 62.863 62.863 61.430 1.433 17610 1373 1 2 . 1 1 80 80 THR CB C 74 69.808 69.808 68.527 1.281 17610 1374 1 2 . 1 1 80 80 THR H H 74 7.718 7.718 7.233 0.485 17610 1375 1 2 . 1 1 81 81 GLY N N 75 109.297 109.297 109.358 -0.061 17610 1376 1 2 . 1 1 81 81 GLY C C 75 172.419 172.419 173.346 -0.927 17610 1377 1 2 . 1 1 81 81 GLY CA C 75 46.504 46.504 43.968 2.536 17610 1378 1 2 . 1 1 81 81 GLY H H 75 7.852 7.852 7.590 0.262 17610 1379 1 2 . 1 1 82 82 GLU N N 76 122.399 122.399 122.741 -0.342 17610 1380 1 2 . 1 1 82 82 GLU HA H 76 4.523 4.523 4.138 0.385 17610 1381 1 2 . 1 1 82 82 GLU C C 76 176.409 176.409 176.424 -0.015 17610 1382 1 2 . 1 1 82 82 GLU CA C 76 56.469 56.469 58.798 -2.329 17610 1383 1 2 . 1 1 82 82 GLU CB C 76 32.049 32.049 30.413 1.636 17610 1384 1 2 . 1 1 82 82 GLU H H 76 8.879 8.879 8.050 0.829 17610 1385 1 2 . 1 1 83 83 GLY N N 77 102.282 102.282 104.620 -2.338 17610 1386 1 2 . 1 1 83 83 GLY C C 77 170.803 170.803 171.884 -1.081 17610 1387 1 2 . 1 1 83 83 GLY CA C 77 45.453 45.453 44.812 0.641 17610 1388 1 2 . 1 1 83 83 GLY H H 77 7.192 7.192 7.518 -0.326 17610 1389 1 2 . 1 1 84 84 PHE N N 78 122.648 122.648 116.449 6.199 17610 1390 1 2 . 1 1 84 84 PHE HA H 78 5.448 5.448 5.262 0.186 17610 1391 1 2 . 1 1 84 84 PHE C C 78 173.734 173.734 173.842 -0.108 17610 1392 1 2 . 1 1 84 84 PHE CA C 78 57.065 57.065 57.343 -0.278 17610 1393 1 2 . 1 1 84 84 PHE CB C 78 42.997 42.997 44.321 -1.324 17610 1394 1 2 . 1 1 84 84 PHE H H 78 8.224 8.224 8.223 0.001 17610 1395 1 2 . 1 1 85 85 LEU N N 79 127.298 127.298 122.308 4.990 17610 1396 1 2 . 1 1 85 85 LEU HA H 79 4.690 4.690 5.223 -0.533 17610 1397 1 2 . 1 1 85 85 LEU C C 79 174.690 174.690 175.022 -0.332 17610 1398 1 2 . 1 1 85 85 LEU CA C 79 53.981 53.981 54.135 -0.154 17610 1399 1 2 . 1 1 85 85 LEU CB C 79 43.058 43.058 46.348 -3.290 17610 1400 1 2 . 1 1 85 85 LEU H H 79 9.189 9.189 9.018 0.171 17610 1401 1 2 . 1 1 86 86 CYS N N 80 125.581 125.581 127.178 -1.597 17610 1402 1 2 . 1 1 86 86 CYS HA H 80 4.689 4.689 4.763 -0.074 17610 1403 1 2 . 1 1 86 86 CYS C C 80 172.664 172.664 173.417 -0.753 17610 1404 1 2 . 1 1 86 86 CYS CA C 80 57.767 57.767 58.914 -1.147 17610 1405 1 2 . 1 1 86 86 CYS CB C 80 27.397 27.397 28.716 -1.319 17610 1406 1 2 . 1 1 86 86 CYS H H 80 8.720 8.720 9.287 -0.567 17610 1407 1 2 . 1 1 87 87 VAL N N 81 127.252 127.252 127.094 0.158 17610 1408 1 2 . 1 1 87 87 VAL HA H 81 4.983 4.983 4.476 0.507 17610 1409 1 2 . 1 1 87 87 VAL C C 81 175.119 175.119 174.814 0.305 17610 1410 1 2 . 1 1 87 87 VAL CA C 81 61.275 61.275 61.736 -0.460 17610 1411 1 2 . 1 1 87 87 VAL CB C 81 33.407 33.407 31.972 1.435 17610 1412 1 2 . 1 1 87 87 VAL H H 81 9.028 9.028 8.836 0.192 17610 1413 1 2 . 1 1 88 88 PHE N N 82 125.157 125.157 127.589 -2.432 17610 1414 1 2 . 1 1 88 88 PHE HA H 82 4.992 4.992 5.229 -0.237 17610 1415 1 2 . 1 1 88 88 PHE C C 82 171.162 171.162 172.867 -1.705 17610 1416 1 2 . 1 1 88 88 PHE CA C 82 55.349 55.349 54.795 0.554 17610 1417 1 2 . 1 1 88 88 PHE CB C 82 40.430 40.430 43.095 -2.665 17610 1418 1 2 . 1 1 88 88 PHE H H 82 9.306 9.306 8.851 0.455 17610 1419 1 2 . 1 1 89 89 ALA N N 83 122.321 122.321 123.599 -1.278 17610 1420 1 2 . 1 1 89 89 ALA HA H 83 5.082 5.082 4.605 0.477 17610 1421 1 2 . 1 1 89 89 ALA C C 83 179.267 179.267 177.920 1.347 17610 1422 1 2 . 1 1 89 89 ALA CA C 83 49.635 49.635 49.226 0.409 17610 1423 1 2 . 1 1 89 89 ALA CB C 83 21.739 21.739 20.540 1.199 17610 1424 1 2 . 1 1 89 89 ALA H H 83 8.692 8.692 8.610 0.082 17610 1425 1 2 . 1 1 90 90 ILE N N 84 114.459 114.459 119.098 -4.639 17610 1426 1 2 . 1 1 90 90 ILE HA H 84 4.054 4.054 3.746 0.308 17610 1427 1 2 . 1 1 90 90 ILE C C 84 174.164 174.164 176.840 -2.676 17610 1428 1 2 . 1 1 90 90 ILE CA C 84 63.169 63.169 64.381 -1.212 17610 1429 1 2 . 1 1 90 90 ILE CB C 84 38.174 38.174 37.705 0.469 17610 1430 1 2 . 1 1 90 90 ILE H H 84 8.461 8.461 7.554 0.907 17610 1431 1 2 . 1 1 91 91 ASN N N 85 118.240 118.240 118.142 0.098 17610 1432 1 2 . 1 1 91 91 ASN HA H 85 5.049 5.049 4.572 0.477 17610 1433 1 2 . 1 1 91 91 ASN C C 85 174.583 174.583 174.810 -0.227 17610 1434 1 2 . 1 1 91 91 ASN CA C 85 52.161 52.161 54.548 -2.387 17610 1435 1 2 . 1 1 91 91 ASN CB C 85 38.132 38.132 38.879 -0.747 17610 1436 1 2 . 1 1 91 91 ASN H H 85 7.906 7.906 8.645 -0.739 17610 1437 1 2 . 1 1 92 92 ASN N N 86 120.345 120.345 116.847 3.498 17610 1438 1 2 . 1 1 92 92 ASN HA H 86 5.080 5.080 4.957 0.123 17610 1439 1 2 . 1 1 92 92 ASN C C 86 175.090 175.090 175.705 -0.615 17610 1440 1 2 . 1 1 92 92 ASN CA C 86 52.041 52.041 51.892 0.149 17610 1441 1 2 . 1 1 92 92 ASN CB C 86 39.203 39.203 39.081 0.122 17610 1442 1 2 . 1 1 92 92 ASN H H 86 7.931 7.931 7.960 -0.029 17610 1443 1 2 . 1 1 93 93 THR N N 87 125.665 125.665 121.244 4.421 17610 1444 1 2 . 1 1 93 93 THR HA H 87 3.772 3.772 4.115 -0.343 17610 1445 1 2 . 1 1 93 93 THR C C 87 176.012 176.012 176.022 -0.010 17610 1446 1 2 . 1 1 93 93 THR CA C 87 66.753 66.753 67.191 -0.438 17610 1447 1 2 . 1 1 93 93 THR CB C 87 68.400 68.400 69.097 -0.698 17610 1448 1 2 . 1 1 93 93 THR H H 87 9.272 9.272 8.711 0.561 17610 1449 1 2 . 1 1 94 94 LYS N N 88 125.404 125.404 120.523 4.881 17610 1450 1 2 . 1 1 94 94 LYS HA H 88 4.186 4.186 4.071 0.115 17610 1451 1 2 . 1 1 94 94 LYS C C 88 178.027 178.027 178.598 -0.571 17610 1452 1 2 . 1 1 94 94 LYS CA C 88 59.359 59.359 60.029 -0.670 17610 1453 1 2 . 1 1 94 94 LYS CB C 88 31.292 31.292 32.082 -0.790 17610 1454 1 2 . 1 1 94 94 LYS H H 88 8.456 8.456 8.541 -0.085 17610 1455 1 2 . 1 1 95 95 SER N N 89 115.491 115.491 115.383 0.108 17610 1456 1 2 . 1 1 95 95 SER HA H 89 4.188 4.188 4.364 -0.176 17610 1457 1 2 . 1 1 95 95 SER C C 89 175.751 175.751 176.368 -0.617 17610 1458 1 2 . 1 1 95 95 SER CA C 89 61.751 61.751 61.921 -0.170 17610 1459 1 2 . 1 1 95 95 SER CB C 89 63.530 63.530 62.681 0.849 17610 1460 1 2 . 1 1 95 95 SER H H 89 7.970 7.970 7.843 0.127 17610 1461 1 2 . 1 1 96 96 PHE N N 90 125.899 125.899 122.275 3.624 17610 1462 1 2 . 1 1 96 96 PHE HA H 90 4.037 4.037 4.022 0.015 17610 1463 1 2 . 1 1 96 96 PHE C C 90 177.267 177.267 177.073 0.194 17610 1464 1 2 . 1 1 96 96 PHE CA C 90 59.688 59.688 61.263 -1.575 17610 1465 1 2 . 1 1 96 96 PHE CB C 90 40.175 40.175 39.071 1.104 17610 1466 1 2 . 1 1 96 96 PHE H H 90 7.419 7.419 7.917 -0.498 17610 1467 1 2 . 1 1 97 97 GLU N N 91 122.834 122.834 118.068 4.766 17610 1468 1 2 . 1 1 97 97 GLU HA H 91 3.787 3.787 3.942 -0.155 17610 1469 1 2 . 1 1 97 97 GLU C C 91 179.628 179.628 178.363 1.265 17610 1470 1 2 . 1 1 97 97 GLU CA C 91 59.004 59.004 59.454 -0.450 17610 1471 1 2 . 1 1 97 97 GLU CB C 91 29.261 29.261 29.497 -0.235 17610 1472 1 2 . 1 1 97 97 GLU H H 91 8.449 8.449 7.549 0.900 17610 1473 1 2 . 1 1 98 98 ASP N N 92 118.617 118.617 120.713 -2.096 17610 1474 1 2 . 1 1 98 98 ASP HA H 92 4.553 4.553 4.356 0.197 17610 1475 1 2 . 1 1 98 98 ASP C C 92 177.582 177.582 178.793 -1.211 17610 1476 1 2 . 1 1 98 98 ASP CA C 92 56.171 56.171 57.053 -0.882 17610 1477 1 2 . 1 1 98 98 ASP CB C 92 41.184 41.184 40.737 0.447 17610 1478 1 2 . 1 1 98 98 ASP H H 92 8.492 8.492 8.180 0.312 17610 1479 1 2 . 1 1 99 99 ILE N N 93 121.939 121.939 118.210 3.729 17610 1480 1 2 . 1 1 99 99 ILE HA H 93 3.954 3.954 4.075 -0.121 17610 1481 1 2 . 1 1 99 99 ILE C C 93 177.442 177.442 177.536 -0.094 17610 1482 1 2 . 1 1 99 99 ILE CA C 93 62.370 62.370 63.211 -0.841 17610 1483 1 2 . 1 1 99 99 ILE CB C 93 34.570 34.570 36.806 -2.236 17610 1484 1 2 . 1 1 99 99 ILE H H 93 7.583 7.583 8.499 -0.916 17610 1485 1 2 . 1 1 100 100 HIS N N 94 118.387 118.387 119.592 -1.205 17610 1486 1 2 . 1 1 100 100 HIS HA H 94 4.273 4.273 4.428 -0.155 17610 1487 1 2 . 1 1 100 100 HIS C C 94 177.345 177.345 177.715 -0.370 17610 1488 1 2 . 1 1 100 100 HIS CA C 94 60.090 60.090 59.377 0.714 17610 1489 1 2 . 1 1 100 100 HIS CB C 94 30.512 30.512 30.010 0.502 17610 1490 1 2 . 1 1 100 100 HIS H H 94 7.799 7.799 7.383 0.416 17610 1491 1 2 . 1 1 101 101 GLN N N 95 117.673 117.673 119.333 -1.660 17610 1492 1 2 . 1 1 101 101 GLN HA H 95 3.941 3.941 3.709 0.232 17610 1493 1 2 . 1 1 101 101 GLN C C 95 179.155 179.155 178.113 1.042 17610 1494 1 2 . 1 1 101 101 GLN CA C 95 58.371 58.371 57.949 0.422 17610 1495 1 2 . 1 1 101 101 GLN CB C 95 27.807 27.807 27.383 0.424 17610 1496 1 2 . 1 1 101 101 GLN H H 95 7.468 7.468 7.688 -0.220 17610 1497 1 2 . 1 1 102 102 TYR N N 96 120.407 120.407 120.287 0.120 17610 1498 1 2 . 1 1 102 102 TYR HA H 96 4.064 4.064 4.110 -0.046 17610 1499 1 2 . 1 1 102 102 TYR C C 96 177.660 177.660 178.537 -0.877 17610 1500 1 2 . 1 1 102 102 TYR CA C 96 62.847 62.847 60.096 2.752 17610 1501 1 2 . 1 1 102 102 TYR CB C 96 37.795 37.795 37.990 -0.195 17610 1502 1 2 . 1 1 102 102 TYR H H 96 7.600 7.600 8.228 -0.628 17610 1503 1 2 . 1 1 103 103 ARG N N 97 119.974 119.974 119.634 0.340 17610 1504 1 2 . 1 1 103 103 ARG HA H 97 3.616 3.616 3.695 -0.079 17610 1505 1 2 . 1 1 103 103 ARG C C 97 177.618 177.618 177.575 0.043 17610 1506 1 2 . 1 1 103 103 ARG CA C 97 59.938 59.938 60.003 -0.065 17610 1507 1 2 . 1 1 103 103 ARG CB C 97 28.599 28.599 29.613 -1.014 17610 1508 1 2 . 1 1 103 103 ARG H H 97 8.395 8.395 7.509 0.886 17610 1509 1 2 . 1 1 104 104 GLU N N 98 118.351 118.351 117.084 1.267 17610 1510 1 2 . 1 1 104 104 GLU HA H 98 3.781 3.781 3.892 -0.111 17610 1511 1 2 . 1 1 104 104 GLU C C 98 178.982 178.982 178.940 0.042 17610 1512 1 2 . 1 1 104 104 GLU CA C 98 58.900 58.900 59.335 -0.435 17610 1513 1 2 . 1 1 104 104 GLU CB C 98 29.435 29.435 28.724 0.711 17610 1514 1 2 . 1 1 104 104 GLU H H 98 7.970 7.970 7.667 0.303 17610 1515 1 2 . 1 1 105 105 GLN N N 99 121.350 121.350 118.591 2.759 17610 1516 1 2 . 1 1 105 105 GLN HA H 99 3.946 3.946 4.052 -0.106 17610 1517 1 2 . 1 1 105 105 GLN C C 99 177.701 177.701 178.295 -0.594 17610 1518 1 2 . 1 1 105 105 GLN CA C 99 59.037 59.037 59.001 0.036 17610 1519 1 2 . 1 1 105 105 GLN CB C 99 27.938 27.938 28.606 -0.668 17610 1520 1 2 . 1 1 105 105 GLN H H 99 7.907 7.907 7.656 0.251 17610 1521 1 2 . 1 1 106 106 ILE N N 100 121.310 121.310 120.252 1.058 17610 1522 1 2 . 1 1 106 106 ILE HA H 100 3.177 3.177 3.349 -0.172 17610 1523 1 2 . 1 1 106 106 ILE C C 100 177.199 177.199 178.352 -1.153 17610 1524 1 2 . 1 1 106 106 ILE CA C 100 65.682 65.682 64.819 0.863 17610 1525 1 2 . 1 1 106 106 ILE CB C 100 37.874 37.874 37.311 0.563 17610 1526 1 2 . 1 1 106 106 ILE H H 100 7.920 7.920 7.202 0.718 17610 1527 1 2 . 1 1 107 107 LYS N N 101 118.584 118.584 118.284 0.300 17610 1528 1 2 . 1 1 107 107 LYS HA H 101 3.951 3.951 4.107 -0.156 17610 1529 1 2 . 1 1 107 107 LYS C C 101 179.476 179.476 178.931 0.545 17610 1530 1 2 . 1 1 107 107 LYS CA C 101 59.571 59.571 59.380 0.191 17610 1531 1 2 . 1 1 107 107 LYS CB C 101 32.227 32.227 31.975 0.252 17610 1532 1 2 . 1 1 107 107 LYS H H 101 7.782 7.782 7.644 0.138 17610 1533 1 2 . 1 1 108 108 ARG N N 102 119.152 119.152 119.670 -0.518 17610 1534 1 2 . 1 1 108 108 ARG HA H 102 4.082 4.082 4.076 0.006 17610 1535 1 2 . 1 1 108 108 ARG C C 102 179.582 179.582 178.294 1.288 17610 1536 1 2 . 1 1 108 108 ARG CA C 102 58.946 58.946 58.916 0.029 17610 1537 1 2 . 1 1 108 108 ARG CB C 102 30.097 30.097 30.015 0.082 17610 1538 1 2 . 1 1 108 108 ARG H H 102 7.777 7.777 7.203 0.574 17610 1539 1 2 . 1 1 109 109 VAL N N 103 119.544 119.544 119.560 -0.016 17610 1540 1 2 . 1 1 109 109 VAL HA H 103 3.837 3.837 3.742 0.095 17610 1541 1 2 . 1 1 109 109 VAL C C 103 177.919 177.919 178.129 -0.210 17610 1542 1 2 . 1 1 109 109 VAL CA C 103 65.393 65.393 65.692 -0.299 17610 1543 1 2 . 1 1 109 109 VAL CB C 103 31.599 31.599 31.694 -0.095 17610 1544 1 2 . 1 1 109 109 VAL H H 103 8.282 8.282 7.674 0.608 17610 1545 1 2 . 1 1 110 110 LYS N N 104 117.592 117.592 117.625 -0.033 17610 1546 1 2 . 1 1 110 110 LYS HA H 104 4.269 4.269 4.205 0.064 17610 1547 1 2 . 1 1 110 110 LYS C C 104 175.878 175.878 176.533 -0.655 17610 1548 1 2 . 1 1 110 110 LYS CA C 104 54.797 54.797 56.392 -1.595 17610 1549 1 2 . 1 1 110 110 LYS CB C 104 30.687 30.687 32.413 -1.726 17610 1550 1 2 . 1 1 110 110 LYS H H 104 8.117 8.117 8.214 -0.097 17610 1551 1 2 . 1 1 111 111 ASP N N 105 122.118 122.118 118.134 3.984 17610 1552 1 2 . 1 1 111 111 ASP HA H 105 4.306 4.306 4.346 -0.040 17610 1553 1 2 . 1 1 111 111 ASP C C 105 174.496 174.496 175.073 -0.577 17610 1554 1 2 . 1 1 111 111 ASP CA C 105 54.442 54.442 55.318 -0.876 17610 1555 1 2 . 1 1 111 111 ASP CB C 105 39.792 39.792 39.224 0.568 17610 1556 1 2 . 1 1 111 111 ASP H H 105 7.958 7.958 7.809 0.149 17610 1557 1 2 . 1 1 112 112 SER N N 106 110.372 110.372 112.278 -1.906 17610 1558 1 2 . 1 1 112 112 SER HA H 106 4.565 4.565 4.664 -0.099 17610 1559 1 2 . 1 1 112 112 SER C C 106 172.985 172.985 173.089 -0.104 17610 1560 1 2 . 1 1 112 112 SER CA C 106 56.779 56.779 57.528 -0.749 17610 1561 1 2 . 1 1 112 112 SER CB C 106 65.259 65.259 64.523 0.736 17610 1562 1 2 . 1 1 112 112 SER H H 106 7.539 7.539 7.641 -0.102 17610 1563 1 2 . 1 1 113 113 ASP N N 107 123.301 123.301 121.285 2.016 17610 1564 1 2 . 1 1 113 113 ASP HA H 107 4.665 4.665 4.525 0.140 17610 1565 1 2 . 1 1 113 113 ASP C C 107 176.066 176.066 175.739 0.327 17610 1566 1 2 . 1 1 113 113 ASP CA C 107 54.267 54.267 55.513 -1.246 17610 1567 1 2 . 1 1 113 113 ASP CB C 107 41.837 41.837 40.827 1.010 17610 1568 1 2 . 1 1 113 113 ASP H H 107 8.385 8.385 8.703 -0.318 17610 1569 1 2 . 1 1 114 114 ASP N N 108 122.347 122.347 121.663 0.684 17610 1570 1 2 . 1 1 114 114 ASP HA H 108 4.882 4.882 4.572 0.310 17610 1571 1 2 . 1 1 114 114 ASP C C 108 174.386 174.386 174.970 -0.584 17610 1572 1 2 . 1 1 114 114 ASP CA C 108 53.143 53.143 54.863 -1.720 17610 1573 1 2 . 1 1 114 114 ASP CB C 108 41.323 41.323 40.186 1.137 17610 1574 1 2 . 1 1 114 114 ASP H H 108 8.404 8.404 8.010 0.394 17610 1575 1 2 . 1 1 115 115 VAL N N 109 123.609 123.609 123.484 0.125 17610 1576 1 2 . 1 1 115 115 VAL HA H 109 4.337 4.337 4.377 -0.040 17610 1577 1 2 . 1 1 115 115 VAL CA C 109 58.984 58.984 57.984 1.000 17610 1578 1 2 . 1 1 115 115 VAL CB C 109 34.932 34.932 34.739 0.193 17610 1579 1 2 . 1 1 115 115 VAL H H 109 7.649 7.649 7.676 -0.027 17610 1580 1 2 . 1 1 116 116 PRO HA H 110 4.430 4.430 4.595 -0.165 17610 1581 1 2 . 1 1 116 116 PRO C C 110 175.942 175.942 175.883 0.059 17610 1582 1 2 . 1 1 116 116 PRO CA C 110 63.872 63.872 62.975 0.897 17610 1583 1 2 . 1 1 116 116 PRO CB C 110 32.120 32.120 30.591 1.529 17610 1584 1 2 . 1 1 117 117 MET N N 111 124.020 124.020 119.497 4.523 17610 1585 1 2 . 1 1 117 117 MET HA H 111 5.777 5.777 5.534 0.243 17610 1586 1 2 . 1 1 117 117 MET C C 111 173.737 173.737 173.927 -0.190 17610 1587 1 2 . 1 1 117 117 MET CA C 111 55.094 55.094 54.449 0.645 17610 1588 1 2 . 1 1 117 117 MET CB C 111 37.889 37.889 37.034 0.855 17610 1589 1 2 . 1 1 117 117 MET H H 111 8.274 8.274 7.816 0.458 17610 1590 1 2 . 1 1 118 118 VAL N N 112 118.747 118.747 116.633 2.114 17610 1591 1 2 . 1 1 118 118 VAL HA H 112 4.341 4.341 4.551 -0.210 17610 1592 1 2 . 1 1 118 118 VAL C C 112 173.171 173.171 173.659 -0.488 17610 1593 1 2 . 1 1 118 118 VAL CA C 112 60.943 60.943 60.509 0.434 17610 1594 1 2 . 1 1 118 118 VAL CB C 112 37.030 37.030 36.403 0.627 17610 1595 1 2 . 1 1 118 118 VAL H H 112 8.119 8.119 8.436 -0.317 17610 1596 1 2 . 1 1 119 119 LEU N N 113 129.931 129.931 127.839 2.092 17610 1597 1 2 . 1 1 119 119 LEU HA H 113 5.157 5.157 5.214 -0.057 17610 1598 1 2 . 1 1 119 119 LEU C C 113 173.496 173.496 174.942 -1.446 17610 1599 1 2 . 1 1 119 119 LEU CA C 113 53.828 53.828 53.293 0.535 17610 1600 1 2 . 1 1 119 119 LEU CB C 113 43.876 43.876 44.373 -0.497 17610 1601 1 2 . 1 1 119 119 LEU H H 113 8.918 8.918 8.113 0.805 17610 1602 1 2 . 1 1 120 120 VAL N N 114 129.371 129.371 126.297 3.074 17610 1603 1 2 . 1 1 120 120 VAL HA H 114 5.117 5.117 5.034 0.083 17610 1604 1 2 . 1 1 120 120 VAL C C 114 173.667 173.667 175.347 -1.680 17610 1605 1 2 . 1 1 120 120 VAL CA C 114 60.124 60.124 60.135 -0.011 17610 1606 1 2 . 1 1 120 120 VAL CB C 114 35.225 35.225 34.645 0.580 17610 1607 1 2 . 1 1 120 120 VAL H H 114 9.173 9.173 9.378 -0.205 17610 1608 1 2 . 1 1 121 121 GLY N N 115 115.789 115.789 112.657 3.132 17610 1609 1 2 . 1 1 121 121 GLY C C 115 171.603 171.603 174.074 -2.471 17610 1610 1 2 . 1 1 121 121 GLY CA C 115 45.256 45.256 43.816 1.440 17610 1611 1 2 . 1 1 121 121 GLY H H 115 8.046 8.046 8.955 -0.909 17610 1612 1 2 . 1 1 122 122 ASN N N 116 122.349 122.349 122.670 -0.321 17610 1613 1 2 . 1 1 122 122 ASN HA H 116 5.620 5.620 4.519 1.101 17610 1614 1 2 . 1 1 122 122 ASN C C 116 174.732 174.732 175.423 -0.691 17610 1615 1 2 . 1 1 122 122 ASN CA C 116 51.492 51.492 53.529 -2.037 17610 1616 1 2 . 1 1 122 122 ASN CB C 116 41.323 41.323 39.710 1.613 17610 1617 1 2 . 1 1 122 122 ASN H H 116 8.756 8.756 7.887 0.869 17610 1618 1 2 . 1 1 123 123 LYS N N 117 113.297 113.297 116.339 -3.042 17610 1619 1 2 . 1 1 123 123 LYS HA H 117 4.280 4.280 3.953 0.327 17610 1620 1 2 . 1 1 123 123 LYS C C 117 177.324 177.324 175.433 1.891 17610 1621 1 2 . 1 1 123 123 LYS CA C 117 57.273 57.273 57.298 -0.025 17610 1622 1 2 . 1 1 123 123 LYS CB C 117 29.775 29.775 30.558 -0.783 17610 1623 1 2 . 1 1 123 123 LYS H H 117 7.342 7.342 8.848 -1.506 17610 1624 1 2 . 1 1 124 124 CYS N N 118 115.340 115.340 115.626 -0.286 17610 1625 1 2 . 1 1 124 124 CYS HA H 118 4.292 4.292 4.432 -0.140 17610 1626 1 2 . 1 1 124 124 CYS C C 118 173.325 173.325 174.811 -1.486 17610 1627 1 2 . 1 1 124 124 CYS CA C 118 60.698 60.698 57.323 3.375 17610 1628 1 2 . 1 1 124 124 CYS CB C 118 26.387 26.387 28.026 -1.639 17610 1629 1 2 . 1 1 124 124 CYS H H 118 8.763 8.763 7.739 1.024 17610 1630 1 2 . 1 1 125 125 ASP N N 119 118.603 118.603 120.661 -2.058 17610 1631 1 2 . 1 1 125 125 ASP HA H 119 4.476 4.476 4.593 -0.117 17610 1632 1 2 . 1 1 125 125 ASP C C 119 175.464 175.464 176.338 -0.874 17610 1633 1 2 . 1 1 125 125 ASP CA C 119 53.951 53.951 54.465 -0.514 17610 1634 1 2 . 1 1 125 125 ASP CB C 119 41.323 41.323 40.811 0.512 17610 1635 1 2 . 1 1 125 125 ASP H H 119 8.613 8.613 8.199 0.414 17610 1636 1 2 . 1 1 126 126 LEU N N 120 122.098 122.098 122.442 -0.344 17610 1637 1 2 . 1 1 126 126 LEU HA H 120 4.241 4.241 4.229 0.012 17610 1638 1 2 . 1 1 126 126 LEU C C 120 176.420 176.420 177.022 -0.602 17610 1639 1 2 . 1 1 126 126 LEU CA C 120 54.723 54.723 54.868 -0.145 17610 1640 1 2 . 1 1 126 126 LEU CB C 120 41.837 41.837 42.844 -1.007 17610 1641 1 2 . 1 1 126 126 LEU H H 120 7.802 7.802 7.762 0.040 17610 1642 1 2 . 1 1 127 127 ALA N N 121 123.959 123.959 126.231 -2.272 17610 1643 1 2 . 1 1 127 127 ALA HA H 121 4.214 4.214 4.439 -0.225 17610 1644 1 2 . 1 1 127 127 ALA C C 121 178.717 178.717 176.779 1.938 17610 1645 1 2 . 1 1 127 127 ALA CA C 121 53.179 53.179 52.479 0.700 17610 1646 1 2 . 1 1 127 127 ALA CB C 121 18.871 18.871 18.602 0.269 17610 1647 1 2 . 1 1 127 127 ALA H H 121 8.160 8.160 8.505 -0.345 17610 1648 1 2 . 1 1 128 128 ALA N N 122 123.078 123.078 121.840 1.238 17610 1649 1 2 . 1 1 128 128 ALA HA H 122 4.524 4.524 4.489 0.035 17610 1650 1 2 . 1 1 128 128 ALA C C 122 175.272 175.272 176.727 -1.455 17610 1651 1 2 . 1 1 128 128 ALA CA C 122 51.259 51.259 51.120 0.139 17610 1652 1 2 . 1 1 128 128 ALA CB C 122 17.623 17.623 19.285 -1.662 17610 1653 1 2 . 1 1 128 128 ALA H H 122 7.698 7.698 7.839 -0.141 17610 1654 1 2 . 1 1 129 129 ARG N N 123 121.454 121.454 119.927 1.527 17610 1655 1 2 . 1 1 129 129 ARG HA H 123 4.093 4.093 4.112 -0.019 17610 1656 1 2 . 1 1 129 129 ARG C C 123 176.271 176.271 176.000 0.271 17610 1657 1 2 . 1 1 129 129 ARG CA C 123 55.596 55.596 56.796 -1.200 17610 1658 1 2 . 1 1 129 129 ARG CB C 123 32.696 32.696 30.049 2.647 17610 1659 1 2 . 1 1 129 129 ARG H H 123 7.992 7.992 7.995 -0.003 17610 1660 1 2 . 1 1 130 130 THR N N 124 115.617 115.617 113.376 2.241 17610 1661 1 2 . 1 1 130 130 THR HA H 124 4.564 4.564 4.447 0.117 17610 1662 1 2 . 1 1 130 130 THR C C 124 174.119 174.119 175.133 -1.014 17610 1663 1 2 . 1 1 130 130 THR CA C 124 61.746 61.746 62.510 -0.764 17610 1664 1 2 . 1 1 130 130 THR CB C 124 69.094 69.094 70.448 -1.354 17610 1665 1 2 . 1 1 130 130 THR H H 124 9.145 9.145 9.029 0.116 17610 1666 1 2 . 1 1 131 131 VAL N N 125 125.688 125.688 125.402 0.286 17610 1667 1 2 . 1 1 131 131 VAL HA H 125 4.015 4.015 4.006 0.009 17610 1668 1 2 . 1 1 131 131 VAL C C 125 175.658 175.658 174.954 0.704 17610 1669 1 2 . 1 1 131 131 VAL CA C 125 61.373 61.373 61.816 -0.443 17610 1670 1 2 . 1 1 131 131 VAL CB C 125 33.147 33.147 31.395 1.752 17610 1671 1 2 . 1 1 131 131 VAL H H 125 7.618 7.618 8.215 -0.597 17610 1672 1 2 . 1 1 132 132 GLU N N 126 128.319 128.319 127.710 0.609 17610 1673 1 2 . 1 1 132 132 GLU HA H 126 4.228 4.228 4.158 0.070 17610 1674 1 2 . 1 1 132 132 GLU C C 126 177.986 177.986 177.131 0.855 17610 1675 1 2 . 1 1 132 132 GLU CA C 126 56.323 56.323 56.392 -0.069 17610 1676 1 2 . 1 1 132 132 GLU CB C 126 30.158 30.158 30.133 0.025 17610 1677 1 2 . 1 1 132 132 GLU H H 126 8.727 8.727 8.225 0.502 17610 1678 1 2 . 1 1 133 133 SER N N 127 122.970 122.970 117.111 5.859 17610 1679 1 2 . 1 1 133 133 SER HA H 127 4.074 4.074 4.165 -0.091 17610 1680 1 2 . 1 1 133 133 SER C C 127 176.633 176.633 176.438 0.195 17610 1681 1 2 . 1 1 133 133 SER CA C 127 62.598 62.598 62.070 0.528 17610 1682 1 2 . 1 1 133 133 SER CB C 127 62.511 62.511 63.127 -0.616 17610 1683 1 2 . 1 1 133 133 SER H H 127 9.421 9.421 8.734 0.687 17610 1684 1 2 . 1 1 134 134 ARG N N 128 119.141 119.141 121.076 -1.935 17610 1685 1 2 . 1 1 134 134 ARG HA H 128 4.028 4.028 4.068 -0.040 17610 1686 1 2 . 1 1 134 134 ARG C C 128 177.739 177.739 178.280 -0.541 17610 1687 1 2 . 1 1 134 134 ARG CA C 128 58.785 58.785 59.055 -0.270 17610 1688 1 2 . 1 1 134 134 ARG CB C 128 29.752 29.752 29.462 0.290 17610 1689 1 2 . 1 1 134 134 ARG H H 128 8.675 8.675 8.392 0.283 17610 1690 1 2 . 1 1 135 135 GLN N N 129 118.050 118.050 117.325 0.725 17610 1691 1 2 . 1 1 135 135 GLN HA H 129 4.091 4.091 3.909 0.182 17610 1692 1 2 . 1 1 135 135 GLN C C 129 179.009 179.009 177.724 1.285 17610 1693 1 2 . 1 1 135 135 GLN CA C 129 58.389 58.389 59.040 -0.651 17610 1694 1 2 . 1 1 135 135 GLN CB C 129 28.916 28.916 28.062 0.854 17610 1695 1 2 . 1 1 135 135 GLN H H 129 6.796 6.796 8.512 -1.716 17610 1696 1 2 . 1 1 136 136 ALA N N 130 124.769 124.769 121.154 3.615 17610 1697 1 2 . 1 1 136 136 ALA HA H 130 3.933 3.933 3.969 -0.036 17610 1698 1 2 . 1 1 136 136 ALA C C 130 178.155 178.155 179.599 -1.444 17610 1699 1 2 . 1 1 136 136 ALA CA C 130 54.760 54.760 54.502 0.258 17610 1700 1 2 . 1 1 136 136 ALA CB C 130 18.546 18.546 18.029 0.517 17610 1701 1 2 . 1 1 136 136 ALA H H 130 7.017 7.017 7.415 -0.398 17610 1702 1 2 . 1 1 137 137 GLN N N 131 119.215 119.215 117.907 1.308 17610 1703 1 2 . 1 1 137 137 GLN HA H 131 3.720 3.720 3.810 -0.090 17610 1704 1 2 . 1 1 137 137 GLN C C 131 179.387 179.387 177.928 1.459 17610 1705 1 2 . 1 1 137 137 GLN CA C 131 58.815 58.815 59.187 -0.372 17610 1706 1 2 . 1 1 137 137 GLN CB C 131 28.503 28.503 28.774 -0.271 17610 1707 1 2 . 1 1 137 137 GLN H H 131 8.602 8.602 8.250 0.352 17610 1708 1 2 . 1 1 138 138 ASP N N 132 121.298 121.298 120.986 0.312 17610 1709 1 2 . 1 1 138 138 ASP HA H 132 4.371 4.371 4.325 0.046 17610 1710 1 2 . 1 1 138 138 ASP C C 132 178.855 178.855 178.569 0.286 17610 1711 1 2 . 1 1 138 138 ASP CA C 132 57.425 57.425 57.271 0.154 17610 1712 1 2 . 1 1 138 138 ASP CB C 132 40.860 40.860 40.664 0.196 17610 1713 1 2 . 1 1 138 138 ASP H H 132 8.203 8.203 8.351 -0.148 17610 1714 1 2 . 1 1 139 139 LEU N N 133 124.786 124.786 120.420 4.366 17610 1715 1 2 . 1 1 139 139 LEU HA H 133 3.888 3.888 3.956 -0.068 17610 1716 1 2 . 1 1 139 139 LEU C C 133 178.953 178.953 177.851 1.102 17610 1717 1 2 . 1 1 139 139 LEU CA C 133 57.827 57.827 57.639 0.188 17610 1718 1 2 . 1 1 139 139 LEU CB C 133 41.837 41.837 41.680 0.157 17610 1719 1 2 . 1 1 139 139 LEU H H 133 7.485 7.485 7.268 0.217 17610 1720 1 2 . 1 1 140 140 ALA N N 134 123.038 123.038 121.699 1.339 17610 1721 1 2 . 1 1 140 140 ALA HA H 134 3.783 3.783 4.054 -0.271 17610 1722 1 2 . 1 1 140 140 ALA C C 134 179.902 179.902 179.295 0.607 17610 1723 1 2 . 1 1 140 140 ALA CA C 134 55.832 55.832 55.353 0.479 17610 1724 1 2 . 1 1 140 140 ALA CB C 134 18.120 18.120 18.411 -0.291 17610 1725 1 2 . 1 1 140 140 ALA H H 134 8.426 8.426 7.453 0.973 17610 1726 1 2 . 1 1 141 141 ARG N N 135 119.537 119.537 117.561 1.976 17610 1727 1 2 . 1 1 141 141 ARG HA H 135 4.194 4.194 4.005 0.189 17610 1728 1 2 . 1 1 141 141 ARG C C 135 180.037 180.037 178.581 1.456 17610 1729 1 2 . 1 1 141 141 ARG CA C 135 59.331 59.331 59.248 0.083 17610 1730 1 2 . 1 1 141 141 ARG CB C 135 29.864 29.864 30.149 -0.285 17610 1731 1 2 . 1 1 141 141 ARG H H 135 8.459 8.459 8.585 -0.126 17610 1732 1 2 . 1 1 142 142 SER N N 136 118.958 118.958 114.132 4.826 17610 1733 1 2 . 1 1 142 142 SER HA H 136 4.277 4.277 4.196 0.081 17610 1734 1 2 . 1 1 142 142 SER C C 136 176.127 176.127 175.887 0.240 17610 1735 1 2 . 1 1 142 142 SER CA C 136 61.509 61.509 60.649 0.860 17610 1736 1 2 . 1 1 142 142 SER CB C 136 62.529 62.529 62.947 -0.418 17610 1737 1 2 . 1 1 142 142 SER H H 136 7.944 7.944 7.293 0.651 17610 1738 1 2 . 1 1 143 143 TYR N N 137 121.309 121.309 118.969 2.340 17610 1739 1 2 . 1 1 143 143 TYR HA H 137 4.907 4.907 4.370 0.537 17610 1740 1 2 . 1 1 143 143 TYR C C 137 176.279 176.279 176.557 -0.278 17610 1741 1 2 . 1 1 143 143 TYR CA C 137 54.737 54.737 58.487 -3.750 17610 1742 1 2 . 1 1 143 143 TYR CB C 137 38.830 38.830 38.531 0.299 17610 1743 1 2 . 1 1 143 143 TYR H H 137 7.623 7.623 7.361 0.262 17610 1744 1 2 . 1 1 144 144 GLY N N 138 112.193 112.193 107.200 4.993 17610 1745 1 2 . 1 1 144 144 GLY C C 138 175.077 175.077 174.527 0.550 17610 1746 1 2 . 1 1 144 144 GLY CA C 138 46.439 46.439 45.448 0.991 17610 1747 1 2 . 1 1 144 144 GLY H H 138 8.328 8.328 7.622 0.706 17610 1748 1 2 . 1 1 145 145 ILE N N 139 114.227 114.227 116.304 -2.077 17610 1749 1 2 . 1 1 145 145 ILE HA H 139 5.241 5.241 4.803 0.438 17610 1750 1 2 . 1 1 145 145 ILE CA C 139 58.420 58.420 57.898 0.522 17610 1751 1 2 . 1 1 145 145 ILE CB C 139 38.543 38.543 39.086 -0.543 17610 1752 1 2 . 1 1 145 145 ILE H H 139 8.059 8.059 7.571 0.488 17610 1753 1 2 . 1 1 146 146 PRO HA H 140 4.627 4.627 4.501 0.126 17610 1754 1 2 . 1 1 146 146 PRO C C 140 174.570 174.570 175.271 -0.701 17610 1755 1 2 . 1 1 146 146 PRO CA C 140 62.362 62.362 62.487 -0.125 17610 1756 1 2 . 1 1 146 146 PRO CB C 140 33.057 33.057 32.560 0.497 17610 1757 1 2 . 1 1 147 147 TYR N N 141 121.135 121.135 120.081 1.054 17610 1758 1 2 . 1 1 147 147 TYR HA H 141 5.997 5.997 5.589 0.408 17610 1759 1 2 . 1 1 147 147 TYR C C 141 174.492 174.492 174.526 -0.034 17610 1760 1 2 . 1 1 147 147 TYR CA C 141 54.912 54.912 56.622 -1.710 17610 1761 1 2 . 1 1 147 147 TYR CB C 141 40.972 40.972 40.950 0.022 17610 1762 1 2 . 1 1 147 147 TYR H H 141 8.252 8.252 8.322 -0.070 17610 1763 1 2 . 1 1 148 148 ILE N N 142 131.362 131.362 127.708 3.654 17610 1764 1 2 . 1 1 148 148 ILE HA H 142 3.948 3.948 4.257 -0.309 17610 1765 1 2 . 1 1 148 148 ILE C C 142 172.977 172.977 174.109 -1.132 17610 1766 1 2 . 1 1 148 148 ILE CA C 142 59.383 59.383 59.449 -0.066 17610 1767 1 2 . 1 1 148 148 ILE CB C 142 42.260 42.260 42.028 0.232 17610 1768 1 2 . 1 1 148 148 ILE H H 142 8.495 8.495 8.300 0.195 17610 1769 1 2 . 1 1 149 149 GLU N N 143 125.874 125.874 122.656 3.218 17610 1770 1 2 . 1 1 149 149 GLU HA H 143 4.788 4.788 4.438 0.350 17610 1771 1 2 . 1 1 149 149 GLU C C 143 176.128 176.128 175.450 0.678 17610 1772 1 2 . 1 1 149 149 GLU CA C 143 55.647 55.647 55.257 0.390 17610 1773 1 2 . 1 1 149 149 GLU CB C 143 29.727 29.727 31.889 -2.162 17610 1774 1 2 . 1 1 149 149 GLU H H 143 7.827 7.827 8.547 -0.720 17610 1775 1 2 . 1 1 150 150 THR N N 144 113.629 113.629 114.436 -0.807 17610 1776 1 2 . 1 1 150 150 THR HA H 144 5.081 5.081 5.251 -0.170 17610 1777 1 2 . 1 1 150 150 THR C C 144 176.136 176.136 172.770 3.366 17610 1778 1 2 . 1 1 150 150 THR CA C 144 59.464 59.464 59.694 -0.230 17610 1779 1 2 . 1 1 150 150 THR CB C 144 73.639 73.639 71.319 2.321 17610 1780 1 2 . 1 1 150 150 THR H H 144 8.800 8.800 7.777 1.023 17610 1781 1 2 . 1 1 151 151 SER N N 145 113.706 113.706 113.982 -0.276 17610 1782 1 2 . 1 1 151 151 SER HA H 145 4.883 4.883 4.916 -0.033 17610 1783 1 2 . 1 1 151 151 SER C C 145 175.707 175.707 173.728 1.979 17610 1784 1 2 . 1 1 151 151 SER CA C 145 57.438 57.438 57.418 0.020 17610 1785 1 2 . 1 1 151 151 SER CB C 145 64.470 64.470 66.319 -1.849 17610 1786 1 2 . 1 1 151 151 SER H H 145 8.807 8.807 7.980 0.827 17610 1787 1 2 . 1 1 152 152 ALA N N 146 133.500 133.500 127.960 5.540 17610 1788 1 2 . 1 1 152 152 ALA HA H 146 3.890 3.890 4.080 -0.190 17610 1789 1 2 . 1 1 152 152 ALA C C 146 175.632 175.632 178.290 -2.658 17610 1790 1 2 . 1 1 152 152 ALA CA C 146 54.416 54.416 54.679 -0.263 17610 1791 1 2 . 1 1 152 152 ALA CB C 146 18.605 18.605 18.610 -0.005 17610 1792 1 2 . 1 1 152 152 ALA H H 146 9.134 9.134 8.706 0.428 17610 1793 1 2 . 1 1 153 153 LYS N N 147 117.223 117.223 118.228 -1.005 17610 1794 1 2 . 1 1 153 153 LYS HA H 147 2.616 2.616 4.515 -1.899 17610 1795 1 2 . 1 1 153 153 LYS C C 147 177.045 177.045 177.302 -0.257 17610 1796 1 2 . 1 1 153 153 LYS CA C 147 58.119 58.119 58.828 -0.709 17610 1797 1 2 . 1 1 153 153 LYS CB C 147 33.956 33.956 32.279 1.677 17610 1798 1 2 . 1 1 153 153 LYS H H 147 7.042 7.042 8.220 -1.178 17610 1799 1 2 . 1 1 154 154 THR N N 148 107.404 107.404 107.709 -0.305 17610 1800 1 2 . 1 1 154 154 THR HA H 148 4.157 4.157 4.230 -0.073 17610 1801 1 2 . 1 1 154 154 THR C C 148 175.979 175.979 174.304 1.675 17610 1802 1 2 . 1 1 154 154 THR CA C 148 61.489 61.489 63.143 -1.654 17610 1803 1 2 . 1 1 154 154 THR CB C 148 69.911 69.911 69.376 0.535 17610 1804 1 2 . 1 1 154 154 THR H H 148 7.721 7.721 7.831 -0.110 17610 1805 1 2 . 1 1 155 155 ARG N N 149 119.268 119.268 120.317 -1.049 17610 1806 1 2 . 1 1 155 155 ARG HA H 149 3.476 3.476 4.004 -0.528 17610 1807 1 2 . 1 1 155 155 ARG C C 149 175.481 175.481 174.034 1.447 17610 1808 1 2 . 1 1 155 155 ARG CA C 149 59.653 59.653 56.836 2.817 17610 1809 1 2 . 1 1 155 155 ARG CB C 149 30.445 30.445 28.359 2.086 17610 1810 1 2 . 1 1 155 155 ARG H H 149 7.814 7.814 7.972 -0.158 17610 1811 1 2 . 1 1 156 156 GLN N N 150 125.391 125.391 120.873 4.518 17610 1812 1 2 . 1 1 156 156 GLN HA H 150 4.065 4.065 4.490 -0.425 17610 1813 1 2 . 1 1 156 156 GLN C C 150 177.007 177.007 176.141 0.866 17610 1814 1 2 . 1 1 156 156 GLN CA C 150 57.433 57.433 55.216 2.217 17610 1815 1 2 . 1 1 156 156 GLN CB C 150 28.472 28.472 30.606 -2.134 17610 1816 1 2 . 1 1 156 156 GLN H H 150 7.833 7.833 7.617 0.216 17610 1817 1 2 . 1 1 157 157 GLY N N 151 116.380 116.380 114.476 1.904 17610 1818 1 2 . 1 1 157 157 GLY C C 151 173.581 173.581 174.838 -1.257 17610 1819 1 2 . 1 1 157 157 GLY CA C 151 46.945 46.945 46.558 0.387 17610 1820 1 2 . 1 1 157 157 GLY H H 151 8.936 8.936 9.031 -0.095 17610 1821 1 2 . 1 1 158 158 VAL N N 152 121.822 121.822 118.604 3.218 17610 1822 1 2 . 1 1 158 158 VAL HA H 152 3.221 3.221 3.551 -0.330 17610 1823 1 2 . 1 1 158 158 VAL C C 152 177.006 177.006 177.798 -0.792 17610 1824 1 2 . 1 1 158 158 VAL CA C 152 68.314 68.314 65.507 2.807 17610 1825 1 2 . 1 1 158 158 VAL CB C 152 31.473 31.473 31.659 -0.186 17610 1826 1 2 . 1 1 158 158 VAL H H 152 7.099 7.099 8.128 -1.029 17610 1827 1 2 . 1 1 159 159 GLU N N 153 118.087 118.087 117.089 0.998 17610 1828 1 2 . 1 1 159 159 GLU HA H 153 3.305 3.305 3.944 -0.639 17610 1829 1 2 . 1 1 159 159 GLU C C 153 177.163 177.163 178.196 -1.033 17610 1830 1 2 . 1 1 159 159 GLU CA C 153 60.407 60.407 60.276 0.132 17610 1831 1 2 . 1 1 159 159 GLU CB C 153 28.787 28.787 28.400 0.387 17610 1832 1 2 . 1 1 159 159 GLU H H 153 8.271 8.271 8.590 -0.319 17610 1833 1 2 . 1 1 160 160 ASP N N 154 117.624 117.624 119.533 -1.909 17610 1834 1 2 . 1 1 160 160 ASP HA H 154 4.205 4.205 4.588 -0.383 17610 1835 1 2 . 1 1 160 160 ASP C C 154 179.366 179.366 178.064 1.302 17610 1836 1 2 . 1 1 160 160 ASP CA C 154 57.288 57.288 57.520 -0.232 17610 1837 1 2 . 1 1 160 160 ASP CB C 154 40.040 40.040 40.623 -0.583 17610 1838 1 2 . 1 1 160 160 ASP H H 154 8.145 8.145 8.351 -0.206 17610 1839 1 2 . 1 1 161 161 ALA N N 155 125.270 125.270 121.926 3.344 17610 1840 1 2 . 1 1 161 161 ALA HA H 155 3.749 3.749 3.993 -0.244 17610 1841 1 2 . 1 1 161 161 ALA C C 155 177.684 177.684 179.416 -1.732 17610 1842 1 2 . 1 1 161 161 ALA CA C 155 56.295 56.295 54.760 1.535 17610 1843 1 2 . 1 1 161 161 ALA CB C 155 17.397 17.397 18.236 -0.839 17610 1844 1 2 . 1 1 161 161 ALA H H 155 8.603 8.603 7.368 1.235 17610 1845 1 2 . 1 1 162 162 PHE N N 156 113.772 113.772 117.576 -3.804 17610 1846 1 2 . 1 1 162 162 PHE HA H 156 3.912 3.912 4.073 -0.161 17610 1847 1 2 . 1 1 162 162 PHE C C 156 177.975 177.975 177.961 0.014 17610 1848 1 2 . 1 1 162 162 PHE CA C 156 62.851 62.851 61.573 1.278 17610 1849 1 2 . 1 1 162 162 PHE CB C 156 39.472 39.472 38.305 1.167 17610 1850 1 2 . 1 1 162 162 PHE H H 156 7.236 7.236 7.224 0.012 17610 1851 1 2 . 1 1 163 163 TYR N N 157 120.499 120.499 117.161 3.338 17610 1852 1 2 . 1 1 163 163 TYR HA H 157 4.355 4.355 4.174 0.181 17610 1853 1 2 . 1 1 163 163 TYR C C 157 179.097 179.097 178.225 0.872 17610 1854 1 2 . 1 1 163 163 TYR CA C 157 58.309 58.309 60.463 -2.154 17610 1855 1 2 . 1 1 163 163 TYR CB C 157 35.012 35.012 37.255 -2.243 17610 1856 1 2 . 1 1 163 163 TYR H H 157 9.573 9.573 8.542 1.031 17610 1857 1 2 . 1 1 164 164 THR N N 158 118.206 118.206 114.514 3.692 17610 1858 1 2 . 1 1 164 164 THR HA H 158 3.903 3.903 4.025 -0.122 17610 1859 1 2 . 1 1 164 164 THR C C 158 175.656 175.656 176.130 -0.474 17610 1860 1 2 . 1 1 164 164 THR CA C 158 67.484 67.484 65.681 1.803 17610 1861 1 2 . 1 1 164 164 THR CB C 158 67.819 67.819 68.284 -0.465 17610 1862 1 2 . 1 1 164 164 THR H H 158 8.538 8.538 7.616 0.922 17610 1863 1 2 . 1 1 165 165 LEU N N 159 122.864 122.864 121.361 1.503 17610 1864 1 2 . 1 1 165 165 LEU HA H 159 3.871 3.871 4.063 -0.192 17610 1865 1 2 . 1 1 165 165 LEU C C 159 177.513 177.513 178.034 -0.521 17610 1866 1 2 . 1 1 165 165 LEU CA C 159 57.991 57.991 58.087 -0.096 17610 1867 1 2 . 1 1 165 165 LEU CB C 159 40.181 40.181 40.979 -0.798 17610 1868 1 2 . 1 1 165 165 LEU H H 159 7.232 7.232 7.714 -0.482 17610 1869 1 2 . 1 1 166 166 VAL N N 160 120.322 120.322 118.673 1.649 17610 1870 1 2 . 1 1 166 166 VAL HA H 160 3.045 3.045 3.270 -0.225 17610 1871 1 2 . 1 1 166 166 VAL C C 160 177.474 177.474 178.109 -0.635 17610 1872 1 2 . 1 1 166 166 VAL CA C 160 67.389 67.389 66.641 0.748 17610 1873 1 2 . 1 1 166 166 VAL CB C 160 30.944 30.944 31.172 -0.228 17610 1874 1 2 . 1 1 166 166 VAL H H 160 7.517 7.517 7.269 0.248 17610 1875 1 2 . 1 1 167 167 ARG N N 161 120.151 120.151 118.659 1.492 17610 1876 1 2 . 1 1 167 167 ARG HA H 161 3.772 3.772 3.996 -0.224 17610 1877 1 2 . 1 1 167 167 ARG C C 161 179.030 179.030 179.003 0.027 17610 1878 1 2 . 1 1 167 167 ARG CA C 161 60.935 60.935 59.562 1.373 17610 1879 1 2 . 1 1 167 167 ARG CB C 161 29.586 29.586 29.908 -0.322 17610 1880 1 2 . 1 1 167 167 ARG H H 161 8.044 8.044 7.445 0.599 17610 1881 1 2 . 1 1 168 168 GLU N N 162 119.201 119.201 119.770 -0.569 17610 1882 1 2 . 1 1 168 168 GLU HA H 162 4.050 4.050 4.195 -0.145 17610 1883 1 2 . 1 1 168 168 GLU C C 162 179.805 179.805 179.082 0.723 17610 1884 1 2 . 1 1 168 168 GLU CA C 162 58.867 58.867 58.946 -0.079 17610 1885 1 2 . 1 1 168 168 GLU CB C 162 30.330 30.330 29.471 0.859 17610 1886 1 2 . 1 1 168 168 GLU H H 162 8.171 8.171 7.570 0.601 17610 1887 1 2 . 1 1 169 169 ILE N N 163 123.244 123.244 120.056 3.188 17610 1888 1 2 . 1 1 169 169 ILE HA H 163 3.583 3.583 3.839 -0.256 17610 1889 1 2 . 1 1 169 169 ILE C C 163 178.906 178.906 178.289 0.617 17610 1890 1 2 . 1 1 169 169 ILE CA C 163 66.023 66.023 64.924 1.099 17610 1891 1 2 . 1 1 169 169 ILE CB C 163 38.204 38.204 37.703 0.501 17610 1892 1 2 . 1 1 169 169 ILE H H 163 8.174 8.174 8.047 0.127 17610 1893 1 2 . 1 1 170 170 ARG N N 164 119.842 119.842 118.419 1.423 17610 1894 1 2 . 1 1 170 170 ARG HA H 164 4.140 4.140 4.177 -0.037 17610 1895 1 2 . 1 1 170 170 ARG C C 164 177.532 177.532 177.683 -0.151 17610 1896 1 2 . 1 1 170 170 ARG CA C 164 58.944 58.944 58.586 0.358 17610 1897 1 2 . 1 1 170 170 ARG CB C 164 31.206 31.206 30.292 0.914 17610 1898 1 2 . 1 1 170 170 ARG H H 164 8.405 8.405 8.207 0.198 17610 1899 1 2 . 1 1 171 171 GLN N N 165 116.762 116.762 115.142 1.620 17610 1900 1 2 . 1 1 171 171 GLN HA H 165 4.343 4.343 4.320 0.023 17610 1901 1 2 . 1 1 171 171 GLN C C 165 175.218 175.218 176.337 -1.119 17610 1902 1 2 . 1 1 171 171 GLN CA C 165 56.100 56.100 56.612 -0.512 17610 1903 1 2 . 1 1 171 171 GLN CB C 165 29.236 29.236 30.110 -0.874 17610 1904 1 2 . 1 1 171 171 GLN H H 165 7.646 7.646 7.650 -0.004 17610 1905 1 3 . 1 1 8 8 THR N N 2 124.188 124.188 116.920 7.268 17610 1906 1 3 . 1 1 8 8 THR HA H 2 3.983 3.983 4.382 -0.399 17610 1907 1 3 . 1 1 8 8 THR C C 2 171.971 171.971 173.323 -1.352 17610 1908 1 3 . 1 1 8 8 THR CA C 2 63.551 63.551 61.901 1.650 17610 1909 1 3 . 1 1 8 8 THR CB C 2 69.619 69.619 70.385 -0.766 17610 1910 1 3 . 1 1 8 8 THR H H 2 8.667 8.667 8.508 0.159 17610 1911 1 3 . 1 1 9 9 GLU N N 3 127.895 127.895 124.989 2.906 17610 1912 1 3 . 1 1 9 9 GLU HA H 3 5.280 5.280 4.371 0.909 17610 1913 1 3 . 1 1 9 9 GLU C C 3 175.089 175.089 174.669 0.420 17610 1914 1 3 . 1 1 9 9 GLU CA C 3 53.636 53.636 55.957 -2.321 17610 1915 1 3 . 1 1 9 9 GLU CB C 3 32.029 32.029 31.541 0.488 17610 1916 1 3 . 1 1 9 9 GLU H H 3 8.316 8.316 8.424 -0.108 17610 1917 1 3 . 1 1 10 10 TYR N N 4 123.375 123.375 123.891 -0.516 17610 1918 1 3 . 1 1 10 10 TYR HA H 4 5.131 5.131 4.703 0.428 17610 1919 1 3 . 1 1 10 10 TYR C C 4 174.621 174.621 174.634 -0.013 17610 1920 1 3 . 1 1 10 10 TYR CA C 4 56.649 56.649 56.816 -0.167 17610 1921 1 3 . 1 1 10 10 TYR CB C 4 41.323 41.323 41.736 -0.413 17610 1922 1 3 . 1 1 10 10 TYR H H 4 8.739 8.739 8.284 0.455 17610 1923 1 3 . 1 1 11 11 LYS N N 5 125.147 125.147 126.085 -0.938 17610 1924 1 3 . 1 1 11 11 LYS HA H 5 5.168 5.168 4.484 0.684 17610 1925 1 3 . 1 1 11 11 LYS C C 5 175.291 175.291 175.071 0.220 17610 1926 1 3 . 1 1 11 11 LYS CA C 5 55.145 55.145 55.696 -0.550 17610 1927 1 3 . 1 1 11 11 LYS CB C 5 32.225 32.225 32.871 -0.646 17610 1928 1 3 . 1 1 11 11 LYS H H 5 9.142 9.142 8.838 0.304 17610 1929 1 3 . 1 1 12 12 LEU N N 6 127.306 127.306 127.298 0.008 17610 1930 1 3 . 1 1 12 12 LEU HA H 6 4.970 4.970 4.358 0.612 17610 1931 1 3 . 1 1 12 12 LEU C C 6 175.298 175.298 174.799 0.499 17610 1932 1 3 . 1 1 12 12 LEU CA C 6 52.743 52.743 53.429 -0.686 17610 1933 1 3 . 1 1 12 12 LEU CB C 6 43.063 43.063 41.076 1.987 17610 1934 1 3 . 1 1 12 12 LEU H H 6 9.150 9.150 8.751 0.399 17610 1935 1 3 . 1 1 13 13 VAL N N 7 123.170 123.170 127.217 -4.047 17610 1936 1 3 . 1 1 13 13 VAL HA H 7 4.827 4.827 4.100 0.727 17610 1937 1 3 . 1 1 13 13 VAL C C 7 174.230 174.230 174.766 -0.536 17610 1938 1 3 . 1 1 13 13 VAL CB C 7 34.048 34.048 31.272 2.776 17610 1939 1 3 . 1 1 13 13 VAL H H 7 8.113 8.113 7.925 0.188 17610 1940 1 3 . 1 1 14 14 VAL N N 8 129.854 129.854 127.963 1.891 17610 1941 1 3 . 1 1 14 14 VAL HA H 8 4.669 4.669 4.463 0.206 17610 1942 1 3 . 1 1 14 14 VAL C C 8 175.377 175.377 176.107 -0.730 17610 1943 1 3 . 1 1 14 14 VAL CA C 8 61.935 61.935 61.486 0.449 17610 1944 1 3 . 1 1 14 14 VAL CB C 8 32.496 32.496 32.156 0.340 17610 1945 1 3 . 1 1 14 14 VAL H H 8 8.707 8.707 7.747 0.960 17610 1946 1 3 . 1 1 15 15 VAL N N 9 121.835 121.835 119.486 2.349 17610 1947 1 3 . 1 1 15 15 VAL HA H 9 4.616 4.616 4.571 0.045 17610 1948 1 3 . 1 1 15 15 VAL C C 9 172.824 172.824 174.762 -1.938 17610 1949 1 3 . 1 1 15 15 VAL CA C 9 58.963 58.963 59.259 -0.296 17610 1950 1 3 . 1 1 15 15 VAL CB C 9 35.405 35.405 34.307 1.098 17610 1951 1 3 . 1 1 15 15 VAL H H 9 9.107 9.107 7.983 1.124 17610 1952 1 3 . 1 1 16 16 GLY N N 10 109.233 109.233 104.794 4.439 17610 1953 1 3 . 1 1 16 16 GLY C C 10 172.504 172.504 172.565 -0.061 17610 1954 1 3 . 1 1 16 16 GLY CA C 10 43.848 43.848 45.454 -1.606 17610 1955 1 3 . 1 1 16 16 GLY H H 10 7.394 7.394 7.759 -0.365 17610 1956 1 3 . 1 1 17 17 ALA N N 11 123.120 123.120 122.153 0.967 17610 1957 1 3 . 1 1 17 17 ALA HA H 11 4.547 4.547 5.000 -0.453 17610 1958 1 3 . 1 1 17 17 ALA C C 11 177.371 177.371 177.970 -0.599 17610 1959 1 3 . 1 1 17 17 ALA CA C 11 52.236 52.236 51.330 0.906 17610 1960 1 3 . 1 1 17 17 ALA CB C 11 19.807 19.807 19.342 0.465 17610 1961 1 3 . 1 1 17 17 ALA H H 11 9.054 9.054 8.626 0.428 17610 1962 1 3 . 1 1 18 18 GLY N N 12 107.391 107.391 109.593 -2.202 17610 1963 1 3 . 1 1 18 18 GLY C C 12 176.858 176.858 176.132 0.726 17610 1964 1 3 . 1 1 18 18 GLY CA C 12 46.465 46.465 45.361 1.104 17610 1965 1 3 . 1 1 18 18 GLY H H 12 8.694 8.694 8.334 0.360 17610 1966 1 3 . 1 1 19 19 GLY N N 13 114.596 114.596 112.307 2.289 17610 1967 1 3 . 1 1 19 19 GLY C C 13 174.661 174.661 174.599 0.062 17610 1968 1 3 . 1 1 19 19 GLY CA C 13 46.545 46.545 44.540 2.005 17610 1969 1 3 . 1 1 19 19 GLY H H 13 8.916 8.916 8.386 0.530 17610 1970 1 3 . 1 1 20 20 VAL N N 14 113.376 113.376 114.268 -0.892 17610 1971 1 3 . 1 1 20 20 VAL HA H 14 4.008 4.008 4.431 -0.423 17610 1972 1 3 . 1 1 20 20 VAL C C 14 174.469 174.469 176.109 -1.640 17610 1973 1 3 . 1 1 20 20 VAL CA C 14 62.825 62.825 60.656 2.170 17610 1974 1 3 . 1 1 20 20 VAL CB C 14 31.740 31.740 32.657 -0.917 17610 1975 1 3 . 1 1 20 20 VAL H H 14 7.427 7.427 7.434 -0.007 17610 1976 1 3 . 1 1 21 21 GLY N N 15 109.392 109.392 109.790 -0.398 17610 1977 1 3 . 1 1 21 21 GLY C C 15 173.254 173.254 175.180 -1.926 17610 1978 1 3 . 1 1 21 21 GLY CA C 15 45.708 45.708 46.187 -0.479 17610 1979 1 3 . 1 1 21 21 GLY H H 15 8.388 8.388 7.944 0.444 17610 1980 1 3 . 1 1 22 22 LYS N N 16 124.844 124.844 119.346 5.498 17610 1981 1 3 . 1 1 22 22 LYS HA H 16 3.537 3.537 3.999 -0.462 17610 1982 1 3 . 1 1 22 22 LYS C C 16 179.106 179.106 178.167 0.939 17610 1983 1 3 . 1 1 22 22 LYS CA C 16 60.990 60.990 58.832 2.158 17610 1984 1 3 . 1 1 22 22 LYS CB C 16 29.967 29.967 31.989 -2.022 17610 1985 1 3 . 1 1 22 22 LYS H H 16 9.097 9.097 8.187 0.910 17610 1986 1 3 . 1 1 23 23 SER N N 17 121.228 121.228 114.313 6.915 17610 1987 1 3 . 1 1 23 23 SER HA H 17 4.292 4.292 4.265 0.027 17610 1988 1 3 . 1 1 23 23 SER C C 17 175.697 175.697 176.009 -0.312 17610 1989 1 3 . 1 1 23 23 SER CA C 17 61.346 61.346 60.529 0.817 17610 1990 1 3 . 1 1 23 23 SER CB C 17 61.337 61.337 62.160 -0.823 17610 1991 1 3 . 1 1 23 23 SER H H 17 9.546 9.546 8.300 1.246 17610 1992 1 3 . 1 1 24 24 ALA N N 18 126.557 126.557 124.545 2.012 17610 1993 1 3 . 1 1 24 24 ALA HA H 18 3.946 3.946 3.721 0.225 17610 1994 1 3 . 1 1 24 24 ALA C C 18 181.834 181.834 179.208 2.626 17610 1995 1 3 . 1 1 24 24 ALA CA C 18 54.587 54.587 54.448 0.139 17610 1996 1 3 . 1 1 24 24 ALA CB C 18 18.539 18.539 18.011 0.528 17610 1997 1 3 . 1 1 24 24 ALA H H 18 9.189 9.189 7.786 1.403 17610 1998 1 3 . 1 1 25 25 LEU N N 19 121.712 121.712 117.593 4.119 17610 1999 1 3 . 1 1 25 25 LEU HA H 19 3.878 3.878 3.946 -0.068 17610 2000 1 3 . 1 1 25 25 LEU C C 19 177.485 177.485 179.420 -1.935 17610 2001 1 3 . 1 1 25 25 LEU CA C 19 58.729 58.729 57.955 0.774 17610 2002 1 3 . 1 1 25 25 LEU CB C 19 43.227 43.227 41.493 1.734 17610 2003 1 3 . 1 1 25 25 LEU H H 19 8.817 8.817 7.571 1.246 17610 2004 1 3 . 1 1 26 26 THR N N 20 118.148 118.148 116.370 1.778 17610 2005 1 3 . 1 1 26 26 THR HA H 20 3.401 3.401 3.992 -0.591 17610 2006 1 3 . 1 1 26 26 THR C C 20 175.714 175.714 176.796 -1.082 17610 2007 1 3 . 1 1 26 26 THR CA C 20 68.122 68.122 66.934 1.188 17610 2008 1 3 . 1 1 26 26 THR CB C 20 68.196 68.196 68.755 -0.559 17610 2009 1 3 . 1 1 26 26 THR H H 20 7.517 7.517 7.307 0.210 17610 2010 1 3 . 1 1 27 27 ILE N N 21 121.987 121.987 120.593 1.394 17610 2011 1 3 . 1 1 27 27 ILE HA H 21 3.302 3.302 3.600 -0.298 17610 2012 1 3 . 1 1 27 27 ILE C C 21 175.380 175.380 178.308 -2.928 17610 2013 1 3 . 1 1 27 27 ILE CA C 21 64.278 64.278 62.302 1.976 17610 2014 1 3 . 1 1 27 27 ILE CB C 21 36.758 36.758 36.306 0.452 17610 2015 1 3 . 1 1 27 27 ILE H H 21 8.950 8.950 7.925 1.025 17610 2016 1 3 . 1 1 28 28 GLN N N 22 121.898 121.898 119.435 2.463 17610 2017 1 3 . 1 1 28 28 GLN HA H 22 4.334 4.334 3.968 0.366 17610 2018 1 3 . 1 1 28 28 GLN C C 22 179.058 179.058 178.355 0.703 17610 2019 1 3 . 1 1 28 28 GLN CA C 22 58.796 58.796 59.258 -0.462 17610 2020 1 3 . 1 1 28 28 GLN CB C 22 29.752 29.752 28.288 1.464 17610 2021 1 3 . 1 1 28 28 GLN H H 22 8.094 8.094 8.250 -0.156 17610 2022 1 3 . 1 1 29 29 LEU N N 23 121.426 121.426 118.942 2.484 17610 2023 1 3 . 1 1 29 29 LEU HA H 23 3.765 3.765 4.076 -0.311 17610 2024 1 3 . 1 1 29 29 LEU C C 23 178.155 178.155 178.264 -0.109 17610 2025 1 3 . 1 1 29 29 LEU CA C 23 58.304 58.304 56.992 1.312 17610 2026 1 3 . 1 1 29 29 LEU CB C 23 40.637 40.637 41.648 -1.011 17610 2027 1 3 . 1 1 29 29 LEU H H 23 7.746 7.746 7.340 0.406 17610 2028 1 3 . 1 1 30 30 ILE N N 24 115.325 115.325 116.739 -1.414 17610 2029 1 3 . 1 1 30 30 ILE HA H 24 3.697 3.697 3.794 -0.097 17610 2030 1 3 . 1 1 30 30 ILE C C 24 177.421 177.421 177.002 0.419 17610 2031 1 3 . 1 1 30 30 ILE CA C 24 62.050 62.050 63.152 -1.102 17610 2032 1 3 . 1 1 30 30 ILE CB C 24 37.183 37.183 37.507 -0.324 17610 2033 1 3 . 1 1 30 30 ILE H H 24 8.115 8.115 7.205 0.910 17610 2034 1 3 . 1 1 31 31 GLN N N 25 117.213 117.213 117.852 -0.639 17610 2035 1 3 . 1 1 31 31 GLN HA H 25 4.539 4.539 4.381 0.158 17610 2036 1 3 . 1 1 31 31 GLN C C 25 176.149 176.149 174.196 1.953 17610 2037 1 3 . 1 1 31 31 GLN CA C 25 55.234 55.234 54.078 1.156 17610 2038 1 3 . 1 1 31 31 GLN CB C 25 30.184 30.184 28.899 1.285 17610 2039 1 3 . 1 1 31 31 GLN H H 25 8.887 8.887 7.910 0.977 17610 2040 1 3 . 1 1 32 32 ASN N N 26 117.820 117.820 122.766 -4.946 17610 2041 1 3 . 1 1 32 32 ASN HA H 26 4.807 4.807 4.553 0.254 17610 2042 1 3 . 1 1 32 32 ASN C C 26 174.051 174.051 175.071 -1.020 17610 2043 1 3 . 1 1 32 32 ASN CA C 26 54.310 54.310 53.781 0.529 17610 2044 1 3 . 1 1 32 32 ASN CB C 26 37.184 37.184 37.789 -0.605 17610 2045 1 3 . 1 1 32 32 ASN H H 26 7.982 7.982 8.823 -0.841 17610 2046 1 3 . 1 1 33 33 HIS N N 27 112.968 112.968 117.332 -4.364 17610 2047 1 3 . 1 1 33 33 HIS HA H 27 4.889 4.889 4.812 0.077 17610 2048 1 3 . 1 1 33 33 HIS C C 27 172.514 172.514 174.882 -2.368 17610 2049 1 3 . 1 1 33 33 HIS CA C 27 54.314 54.314 55.128 -0.814 17610 2050 1 3 . 1 1 33 33 HIS CB C 27 32.616 32.616 30.770 1.846 17610 2051 1 3 . 1 1 33 33 HIS H H 27 6.804 6.804 8.779 -1.975 17610 2052 1 3 . 1 1 34 34 PHE N N 28 123.605 123.605 119.561 4.044 17610 2053 1 3 . 1 1 34 34 PHE HA H 28 4.914 4.914 4.115 0.799 17610 2054 1 3 . 1 1 34 34 PHE C C 28 174.641 174.641 173.618 1.023 17610 2055 1 3 . 1 1 34 34 PHE CA C 28 55.754 55.754 58.532 -2.779 17610 2056 1 3 . 1 1 34 34 PHE CB C 28 40.573 40.573 38.666 1.907 17610 2057 1 3 . 1 1 34 34 PHE H H 28 8.462 8.462 7.880 0.582 17610 2058 1 3 . 1 1 35 35 VAL N N 29 126.695 126.695 124.616 2.079 17610 2059 1 3 . 1 1 35 35 VAL HA H 29 3.911 3.911 3.873 0.038 17610 2060 1 3 . 1 1 35 35 VAL C C 29 173.764 173.764 175.129 -1.365 17610 2061 1 3 . 1 1 35 35 VAL CA C 29 61.275 61.275 64.004 -2.729 17610 2062 1 3 . 1 1 35 35 VAL CB C 29 33.154 33.154 31.882 1.272 17610 2063 1 3 . 1 1 35 35 VAL H H 29 7.537 7.537 7.986 -0.449 17610 2064 1 3 . 1 1 36 36 ASP N N 30 123.271 123.271 122.004 1.267 17610 2065 1 3 . 1 1 36 36 ASP HA H 30 4.185 4.185 4.835 -0.650 17610 2066 1 3 . 1 1 36 36 ASP C C 30 176.129 176.129 175.817 0.312 17610 2067 1 3 . 1 1 36 36 ASP CA C 30 54.662 54.662 55.057 -0.395 17610 2068 1 3 . 1 1 36 36 ASP CB C 30 41.323 41.323 41.786 -0.463 17610 2069 1 3 . 1 1 36 36 ASP H H 30 7.618 7.618 8.614 -0.996 17610 2070 1 3 . 1 1 37 37 GLU N N 31 119.730 119.730 121.704 -1.974 17610 2071 1 3 . 1 1 37 37 GLU HA H 31 4.262 4.262 4.738 -0.476 17610 2072 1 3 . 1 1 37 37 GLU C C 31 174.901 174.901 175.813 -0.912 17610 2073 1 3 . 1 1 37 37 GLU CA C 31 56.137 56.137 55.803 0.334 17610 2074 1 3 . 1 1 37 37 GLU CB C 31 30.459 30.459 28.939 1.520 17610 2075 1 3 . 1 1 37 37 GLU H H 31 7.857 7.857 8.656 -0.799 17610 2076 1 3 . 1 1 38 38 TYR N N 32 123.296 123.296 117.644 5.652 17610 2077 1 3 . 1 1 38 38 TYR HA H 32 4.486 4.486 4.912 -0.426 17610 2078 1 3 . 1 1 38 38 TYR C C 32 174.370 174.370 174.351 0.019 17610 2079 1 3 . 1 1 38 38 TYR CA C 32 57.511 57.511 56.515 0.996 17610 2080 1 3 . 1 1 38 38 TYR CB C 32 39.199 39.199 39.706 -0.507 17610 2081 1 3 . 1 1 38 38 TYR H H 32 8.244 8.244 7.935 0.309 17610 2082 1 3 . 1 1 39 39 ASP N N 33 127.452 127.452 121.820 5.632 17610 2083 1 3 . 1 1 39 39 ASP HA H 33 4.891 4.891 4.754 0.137 17610 2084 1 3 . 1 1 39 39 ASP CA C 33 51.207 51.207 51.942 -0.735 17610 2085 1 3 . 1 1 39 39 ASP CB C 33 41.837 41.837 42.019 -0.182 17610 2086 1 3 . 1 1 39 39 ASP H H 33 8.158 8.158 8.565 -0.407 17610 2087 1 3 . 1 1 40 40 PRO HA H 34 4.405 4.405 4.361 0.044 17610 2088 1 3 . 1 1 40 40 PRO C C 34 176.938 176.938 175.766 1.172 17610 2089 1 3 . 1 1 40 40 PRO CA C 34 63.068 63.068 63.106 -0.038 17610 2090 1 3 . 1 1 40 40 PRO CB C 34 32.089 32.089 31.963 0.126 17610 2091 1 3 . 1 1 41 41 SER N N 35 117.575 117.575 115.197 2.378 17610 2092 1 3 . 1 1 41 41 SER HA H 35 4.433 4.433 4.151 0.282 17610 2093 1 3 . 1 1 41 41 SER C C 35 174.777 174.777 173.820 0.957 17610 2094 1 3 . 1 1 41 41 SER CA C 35 58.346 58.346 59.321 -0.975 17610 2095 1 3 . 1 1 41 41 SER CB C 35 63.704 63.704 62.103 1.601 17610 2096 1 3 . 1 1 41 41 SER H H 35 8.495 8.495 8.541 -0.046 17610 2097 1 3 . 1 1 42 42 ILE N N 36 123.018 123.018 118.784 4.234 17610 2098 1 3 . 1 1 42 42 ILE HA H 36 4.219 4.219 4.546 -0.327 17610 2099 1 3 . 1 1 42 42 ILE C C 36 175.966 175.966 174.174 1.792 17610 2100 1 3 . 1 1 42 42 ILE CA C 36 61.665 61.665 59.572 2.094 17610 2101 1 3 . 1 1 42 42 ILE CB C 36 38.745 38.745 42.030 -3.285 17610 2102 1 3 . 1 1 42 42 ILE H H 36 7.919 7.919 7.948 -0.029 17610 2103 1 3 . 1 1 43 43 GLU N N 37 124.699 124.699 120.116 4.583 17610 2104 1 3 . 1 1 43 43 GLU HA H 37 4.381 4.381 4.423 -0.042 17610 2105 1 3 . 1 1 43 43 GLU C C 37 179.069 179.069 175.927 3.142 17610 2106 1 3 . 1 1 43 43 GLU CA C 37 56.223 56.223 55.737 0.486 17610 2107 1 3 . 1 1 43 43 GLU CB C 37 30.616 30.616 30.253 0.363 17610 2108 1 3 . 1 1 43 43 GLU H H 37 8.201 8.201 8.514 -0.313 17610 2109 1 3 . 1 1 44 44 ASP N N 38 121.902 121.902 120.598 1.304 17610 2110 1 3 . 1 1 44 44 ASP HA H 38 4.622 4.622 4.513 0.108 17610 2111 1 3 . 1 1 44 44 ASP C C 38 174.634 174.634 175.405 -0.771 17610 2112 1 3 . 1 1 44 44 ASP CA C 38 54.095 54.095 53.424 0.671 17610 2113 1 3 . 1 1 44 44 ASP CB C 38 41.837 41.837 38.980 2.857 17610 2114 1 3 . 1 1 44 44 ASP H H 38 8.094 8.094 8.113 -0.019 17610 2115 1 3 . 1 1 45 45 SER N N 39 114.779 114.779 115.378 -0.599 17610 2116 1 3 . 1 1 45 45 SER HA H 39 4.923 4.923 4.099 0.824 17610 2117 1 3 . 1 1 45 45 SER C C 39 173.339 173.339 174.400 -1.061 17610 2118 1 3 . 1 1 45 45 SER CA C 39 57.023 57.023 59.275 -2.252 17610 2119 1 3 . 1 1 45 45 SER CB C 39 64.751 64.751 63.875 0.876 17610 2120 1 3 . 1 1 45 45 SER H H 39 7.792 7.792 7.635 0.157 17610 2121 1 3 . 1 1 46 46 TYR N N 40 124.235 124.235 126.640 -2.405 17610 2122 1 3 . 1 1 46 46 TYR HA H 40 4.662 4.662 4.588 0.074 17610 2123 1 3 . 1 1 46 46 TYR C C 40 173.910 173.910 174.784 -0.874 17610 2124 1 3 . 1 1 46 46 TYR CA C 40 56.944 56.944 56.666 0.278 17610 2125 1 3 . 1 1 46 46 TYR CB C 40 41.323 41.323 40.022 1.301 17610 2126 1 3 . 1 1 46 46 TYR H H 40 8.976 8.976 7.879 1.097 17610 2127 1 3 . 1 1 47 47 ARG N N 41 121.906 121.906 119.354 2.552 17610 2128 1 3 . 1 1 47 47 ARG HA H 41 5.802 5.802 5.009 0.793 17610 2129 1 3 . 1 1 47 47 ARG C C 41 176.150 176.150 175.099 1.051 17610 2130 1 3 . 1 1 47 47 ARG CA C 41 54.129 54.129 55.196 -1.067 17610 2131 1 3 . 1 1 47 47 ARG CB C 41 34.105 34.105 31.972 2.133 17610 2132 1 3 . 1 1 47 47 ARG H H 41 8.238 8.238 8.621 -0.383 17610 2133 1 3 . 1 1 48 48 LYS N N 42 123.924 123.924 124.744 -0.820 17610 2134 1 3 . 1 1 48 48 LYS HA H 42 4.508 4.508 4.576 -0.068 17610 2135 1 3 . 1 1 48 48 LYS C C 42 173.710 173.710 174.762 -1.052 17610 2136 1 3 . 1 1 48 48 LYS CA C 42 55.651 55.651 54.488 1.163 17610 2137 1 3 . 1 1 48 48 LYS CB C 42 38.139 38.139 35.589 2.550 17610 2138 1 3 . 1 1 48 48 LYS H H 42 8.705 8.705 8.860 -0.155 17610 2139 1 3 . 1 1 49 49 GLN N N 43 130.301 130.301 126.123 4.178 17610 2140 1 3 . 1 1 49 49 GLN HA H 43 5.230 5.230 4.924 0.306 17610 2141 1 3 . 1 1 49 49 GLN C C 43 175.254 175.254 174.809 0.445 17610 2142 1 3 . 1 1 49 49 GLN CA C 43 55.496 55.496 54.902 0.594 17610 2143 1 3 . 1 1 49 49 GLN CB C 43 29.892 29.892 30.327 -0.435 17610 2144 1 3 . 1 1 49 49 GLN H H 43 8.897 8.897 8.568 0.329 17610 2145 1 3 . 1 1 50 50 VAL N N 44 122.354 122.354 120.997 1.357 17610 2146 1 3 . 1 1 50 50 VAL HA H 44 4.772 4.772 4.673 0.099 17610 2147 1 3 . 1 1 50 50 VAL C C 44 173.116 173.116 173.273 -0.157 17610 2148 1 3 . 1 1 50 50 VAL CA C 44 59.238 59.238 59.094 0.144 17610 2149 1 3 . 1 1 50 50 VAL CB C 44 35.888 35.888 35.683 0.205 17610 2150 1 3 . 1 1 50 50 VAL H H 44 9.104 9.104 8.685 0.419 17610 2151 1 3 . 1 1 51 51 VAL N N 45 122.385 122.385 119.993 2.392 17610 2152 1 3 . 1 1 51 51 VAL HA H 45 4.462 4.462 4.481 -0.019 17610 2153 1 3 . 1 1 51 51 VAL C C 45 175.450 175.450 175.539 -0.089 17610 2154 1 3 . 1 1 51 51 VAL CA C 45 61.832 61.832 61.282 0.550 17610 2155 1 3 . 1 1 51 51 VAL CB C 45 32.228 32.228 32.030 0.198 17610 2156 1 3 . 1 1 51 51 VAL H H 45 8.100 8.100 8.400 -0.300 17610 2157 1 3 . 1 1 52 52 ILE N N 46 126.953 126.953 128.529 -1.576 17610 2158 1 3 . 1 1 52 52 ILE HA H 46 3.995 3.995 3.987 0.008 17610 2159 1 3 . 1 1 52 52 ILE C C 46 176.424 176.424 175.639 0.785 17610 2160 1 3 . 1 1 52 52 ILE CA C 46 60.343 60.343 60.716 -0.373 17610 2161 1 3 . 1 1 52 52 ILE CB C 46 40.096 40.096 36.221 3.875 17610 2162 1 3 . 1 1 52 52 ILE H H 46 8.118 8.118 8.658 -0.540 17610 2163 1 3 . 1 1 53 53 ASP N N 47 132.206 132.206 128.233 3.973 17610 2164 1 3 . 1 1 53 53 ASP HA H 47 4.267 4.267 4.350 -0.083 17610 2165 1 3 . 1 1 53 53 ASP C C 47 176.121 176.121 176.650 -0.529 17610 2166 1 3 . 1 1 53 53 ASP CA C 47 55.267 55.267 54.584 0.683 17610 2167 1 3 . 1 1 53 53 ASP CB C 47 39.203 39.203 38.618 0.585 17610 2168 1 3 . 1 1 53 53 ASP H H 47 9.605 9.605 8.815 0.790 17610 2169 1 3 . 1 1 54 54 GLY N N 48 104.275 104.275 105.495 -1.220 17610 2170 1 3 . 1 1 54 54 GLY C C 48 173.219 173.219 173.334 -0.115 17610 2171 1 3 . 1 1 54 54 GLY CA C 48 45.318 45.318 45.565 -0.247 17610 2172 1 3 . 1 1 54 54 GLY H H 48 8.332 8.332 8.498 -0.166 17610 2173 1 3 . 1 1 55 55 GLU N N 49 123.384 123.384 119.018 4.366 17610 2174 1 3 . 1 1 55 55 GLU HA H 49 4.691 4.691 4.491 0.200 17610 2175 1 3 . 1 1 55 55 GLU C C 49 175.614 175.614 175.443 0.171 17610 2176 1 3 . 1 1 55 55 GLU CA C 49 54.719 54.719 53.949 0.770 17610 2177 1 3 . 1 1 55 55 GLU CB C 49 31.803 31.803 30.997 0.806 17610 2178 1 3 . 1 1 55 55 GLU H H 49 7.684 7.684 7.939 -0.255 17610 2179 1 3 . 1 1 56 56 THR N N 50 127.153 127.153 122.740 4.413 17610 2180 1 3 . 1 1 56 56 THR HA H 50 4.727 4.727 4.905 -0.178 17610 2181 1 3 . 1 1 56 56 THR C C 50 173.530 173.530 174.676 -1.146 17610 2182 1 3 . 1 1 56 56 THR CA C 50 63.521 63.521 64.419 -0.898 17610 2183 1 3 . 1 1 56 56 THR CB C 50 68.478 68.478 69.233 -0.755 17610 2184 1 3 . 1 1 56 56 THR H H 50 8.951 8.951 8.641 0.310 17610 2185 1 3 . 1 1 57 57 CYS N N 51 124.835 124.835 120.501 4.334 17610 2186 1 3 . 1 1 57 57 CYS HA H 51 5.086 5.086 4.772 0.314 17610 2187 1 3 . 1 1 57 57 CYS C C 51 170.937 170.937 172.597 -1.660 17610 2188 1 3 . 1 1 57 57 CYS CA C 51 56.423 56.423 57.507 -1.084 17610 2189 1 3 . 1 1 57 57 CYS CB C 51 31.549 31.549 31.255 0.294 17610 2190 1 3 . 1 1 57 57 CYS H H 51 9.424 9.424 8.813 0.611 17610 2191 1 3 . 1 1 58 58 LEU N N 52 123.111 123.111 123.447 -0.336 17610 2192 1 3 . 1 1 58 58 LEU HA H 52 4.943 4.943 4.582 0.361 17610 2193 1 3 . 1 1 58 58 LEU C C 52 175.044 175.044 175.587 -0.543 17610 2194 1 3 . 1 1 58 58 LEU CA C 52 53.372 53.372 54.407 -1.035 17610 2195 1 3 . 1 1 58 58 LEU CB C 52 44.304 44.304 43.215 1.089 17610 2196 1 3 . 1 1 58 58 LEU H H 52 8.803 8.803 9.042 -0.239 17610 2197 1 3 . 1 1 59 59 LEU N N 53 124.540 124.540 125.954 -1.414 17610 2198 1 3 . 1 1 59 59 LEU HA H 53 4.888 4.888 4.679 0.209 17610 2199 1 3 . 1 1 59 59 LEU C C 53 174.358 174.358 175.157 -0.799 17610 2200 1 3 . 1 1 59 59 LEU CA C 53 53.490 53.490 53.956 -0.466 17610 2201 1 3 . 1 1 59 59 LEU CB C 53 42.195 42.195 43.682 -1.487 17610 2202 1 3 . 1 1 59 59 LEU H H 53 9.054 9.054 9.271 -0.217 17610 2203 1 3 . 1 1 60 60 ASP N N 54 126.666 126.666 126.087 0.579 17610 2204 1 3 . 1 1 60 60 ASP HA H 54 5.225 5.225 5.267 -0.042 17610 2205 1 3 . 1 1 60 60 ASP C C 54 174.846 174.846 175.410 -0.564 17610 2206 1 3 . 1 1 60 60 ASP CA C 54 53.040 53.040 52.199 0.841 17610 2207 1 3 . 1 1 60 60 ASP CB C 54 42.622 42.622 40.964 1.658 17610 2208 1 3 . 1 1 60 60 ASP H H 54 8.739 8.739 9.097 -0.358 17610 2209 1 3 . 1 1 61 61 ILE N N 55 125.100 125.100 124.118 0.982 17610 2210 1 3 . 1 1 61 61 ILE HA H 55 4.690 4.690 4.308 0.382 17610 2211 1 3 . 1 1 61 61 ILE C C 55 174.745 174.745 175.062 -0.317 17610 2212 1 3 . 1 1 61 61 ILE CA C 55 60.331 60.331 59.140 1.191 17610 2213 1 3 . 1 1 61 61 ILE CB C 55 39.682 39.682 36.739 2.943 17610 2214 1 3 . 1 1 61 61 ILE H H 55 9.115 9.115 8.360 0.755 17610 2215 1 3 . 1 1 62 62 LEU N N 56 131.208 131.208 128.719 2.489 17610 2216 1 3 . 1 1 62 62 LEU HA H 56 4.667 4.667 4.513 0.154 17610 2217 1 3 . 1 1 62 62 LEU C C 56 174.063 174.063 174.673 -0.610 17610 2218 1 3 . 1 1 62 62 LEU CA C 56 53.795 53.795 54.165 -0.370 17610 2219 1 3 . 1 1 62 62 LEU CB C 56 42.256 42.256 43.979 -1.723 17610 2220 1 3 . 1 1 62 62 LEU H H 56 9.014 9.014 8.725 0.289 17610 2221 1 3 . 1 1 63 63 ASP N N 57 128.415 128.415 124.654 3.761 17610 2222 1 3 . 1 1 63 63 ASP HA H 57 4.783 4.783 4.798 -0.015 17610 2223 1 3 . 1 1 63 63 ASP C C 57 176.341 176.341 175.788 0.553 17610 2224 1 3 . 1 1 63 63 ASP CA C 57 52.988 52.988 52.168 0.820 17610 2225 1 3 . 1 1 63 63 ASP CB C 57 41.837 41.837 41.219 0.618 17610 2226 1 3 . 1 1 63 63 ASP H H 57 8.657 8.657 8.461 0.196 17610 2227 1 3 . 1 1 64 64 THR N N 58 114.950 114.950 114.642 0.308 17610 2228 1 3 . 1 1 64 64 THR HA H 58 4.425 4.425 4.317 0.108 17610 2229 1 3 . 1 1 64 64 THR C C 58 172.734 172.734 174.742 -2.008 17610 2230 1 3 . 1 1 64 64 THR CA C 58 61.488 61.488 61.576 -0.088 17610 2231 1 3 . 1 1 64 64 THR CB C 58 71.398 71.398 69.829 1.569 17610 2232 1 3 . 1 1 64 64 THR H H 58 7.369 7.369 8.042 -0.673 17610 2233 1 3 . 1 1 65 65 ALA N N 59 123.940 123.940 121.280 2.660 17610 2234 1 3 . 1 1 65 65 ALA HA H 59 4.764 4.764 4.594 0.170 17610 2235 1 3 . 1 1 65 65 ALA C C 59 179.480 179.480 176.786 2.694 17610 2236 1 3 . 1 1 65 65 ALA CA C 59 51.422 51.422 51.694 -0.272 17610 2237 1 3 . 1 1 65 65 ALA CB C 59 20.796 20.796 20.506 0.290 17610 2238 1 3 . 1 1 65 65 ALA H H 59 8.329 8.329 8.541 -0.212 17610 2239 1 3 . 1 1 66 66 GLY N N 60 112.527 112.527 106.201 6.326 17610 2240 1 3 . 1 1 66 66 GLY C C 60 174.938 174.938 175.457 -0.519 17610 2241 1 3 . 1 1 66 66 GLY CA C 60 46.057 46.057 45.739 0.318 17610 2242 1 3 . 1 1 66 66 GLY H H 60 9.397 9.397 8.905 0.492 17610 2243 1 3 . 1 1 67 67 GLN N N 61 120.877 120.877 119.010 1.867 17610 2244 1 3 . 1 1 67 67 GLN HA H 61 4.422 4.422 4.578 -0.156 17610 2245 1 3 . 1 1 67 67 GLN C C 61 176.298 176.298 176.501 -0.203 17610 2246 1 3 . 1 1 67 67 GLN CA C 61 56.355 56.355 56.321 0.034 17610 2247 1 3 . 1 1 67 67 GLN CB C 61 29.438 29.438 29.788 -0.350 17610 2248 1 3 . 1 1 67 67 GLN H H 61 8.237 8.237 8.305 -0.068 17610 2249 1 3 . 1 1 68 68 GLU N N 62 123.751 123.751 119.767 3.984 17610 2250 1 3 . 1 1 68 68 GLU HA H 62 4.208 4.208 4.046 0.162 17610 2251 1 3 . 1 1 68 68 GLU C C 62 177.032 177.032 175.929 1.103 17610 2252 1 3 . 1 1 68 68 GLU CA C 62 57.801 57.801 55.866 1.935 17610 2253 1 3 . 1 1 68 68 GLU CB C 62 29.834 29.834 29.807 0.027 17610 2254 1 3 . 1 1 68 68 GLU H H 62 8.738 8.738 8.372 0.366 17610 2255 1 3 . 1 1 69 69 GLU N N 63 121.861 121.861 118.869 2.992 17610 2256 1 3 . 1 1 69 69 GLU HA H 63 4.228 4.228 3.769 0.459 17610 2257 1 3 . 1 1 69 69 GLU C C 63 176.145 176.145 175.566 0.579 17610 2258 1 3 . 1 1 69 69 GLU CA C 63 57.026 57.026 57.600 -0.574 17610 2259 1 3 . 1 1 69 69 GLU CB C 63 30.231 30.231 29.872 0.359 17610 2260 1 3 . 1 1 69 69 GLU H H 63 8.607 8.607 8.366 0.241 17610 2261 1 3 . 1 1 70 70 TYR N N 64 121.801 121.801 118.317 3.484 17610 2262 1 3 . 1 1 70 70 TYR HA H 64 4.587 4.587 4.749 -0.162 17610 2263 1 3 . 1 1 70 70 TYR C C 64 175.965 175.965 177.433 -1.468 17610 2264 1 3 . 1 1 70 70 TYR CA C 64 58.160 58.160 58.431 -0.271 17610 2265 1 3 . 1 1 70 70 TYR CB C 64 38.288 38.288 38.155 0.133 17610 2266 1 3 . 1 1 70 70 TYR H H 64 8.225 8.225 8.361 -0.136 17610 2267 1 3 . 1 1 71 71 SER N N 65 120.137 120.137 119.735 0.402 17610 2268 1 3 . 1 1 71 71 SER HA H 65 4.269 4.269 4.191 0.078 17610 2269 1 3 . 1 1 71 71 SER C C 65 174.912 174.912 176.633 -1.721 17610 2270 1 3 . 1 1 71 71 SER CA C 65 58.755 58.755 61.786 -3.031 17610 2271 1 3 . 1 1 71 71 SER CB C 65 63.755 63.755 62.613 1.142 17610 2272 1 3 . 1 1 71 71 SER H H 65 7.884 7.884 9.096 -1.212 17610 2273 1 3 . 1 1 72 72 ALA N N 66 127.848 127.848 124.588 3.260 17610 2274 1 3 . 1 1 72 72 ALA HA H 66 4.193 4.193 4.044 0.149 17610 2275 1 3 . 1 1 72 72 ALA C C 66 179.820 179.820 179.447 0.373 17610 2276 1 3 . 1 1 72 72 ALA CA C 66 54.595 54.595 54.687 -0.092 17610 2277 1 3 . 1 1 72 72 ALA CB C 66 18.264 18.264 18.208 0.056 17610 2278 1 3 . 1 1 72 72 ALA H H 66 8.706 8.706 8.557 0.149 17610 2279 1 3 . 1 1 73 73 MET N N 67 118.448 118.448 117.574 0.874 17610 2280 1 3 . 1 1 73 73 MET HA H 67 4.271 4.271 4.052 0.219 17610 2281 1 3 . 1 1 73 73 MET C C 67 177.098 177.098 177.722 -0.624 17610 2282 1 3 . 1 1 73 73 MET CA C 67 56.915 56.915 57.321 -0.406 17610 2283 1 3 . 1 1 73 73 MET CB C 67 32.031 32.031 32.585 -0.554 17610 2284 1 3 . 1 1 73 73 MET H H 67 8.007 8.007 7.694 0.313 17610 2285 1 3 . 1 1 74 74 ARG N N 68 121.351 121.351 120.798 0.553 17610 2286 1 3 . 1 1 74 74 ARG HA H 68 3.793 3.793 4.019 -0.226 17610 2287 1 3 . 1 1 74 74 ARG C C 68 177.730 177.730 178.098 -0.368 17610 2288 1 3 . 1 1 74 74 ARG CA C 68 59.093 59.093 60.145 -1.052 17610 2289 1 3 . 1 1 74 74 ARG CB C 68 30.118 30.118 30.110 0.008 17610 2290 1 3 . 1 1 74 74 ARG H H 68 7.761 7.761 8.432 -0.671 17610 2291 1 3 . 1 1 75 75 ASP N N 69 119.938 119.938 117.708 2.230 17610 2292 1 3 . 1 1 75 75 ASP HA H 69 4.286 4.286 4.464 -0.178 17610 2293 1 3 . 1 1 75 75 ASP C C 69 177.998 177.998 177.892 0.106 17610 2294 1 3 . 1 1 75 75 ASP CA C 69 57.555 57.555 57.442 0.113 17610 2295 1 3 . 1 1 75 75 ASP CB C 69 40.401 40.401 40.621 -0.220 17610 2296 1 3 . 1 1 75 75 ASP H H 69 8.077 8.077 7.767 0.310 17610 2297 1 3 . 1 1 76 76 GLN N N 70 119.151 119.151 120.172 -1.021 17610 2298 1 3 . 1 1 76 76 GLN HA H 70 4.050 4.050 4.035 0.015 17610 2299 1 3 . 1 1 76 76 GLN C C 70 178.837 178.837 178.457 0.380 17610 2300 1 3 . 1 1 76 76 GLN CA C 70 58.920 58.920 58.249 0.670 17610 2301 1 3 . 1 1 76 76 GLN CB C 70 28.063 28.063 27.910 0.153 17610 2302 1 3 . 1 1 76 76 GLN H H 70 7.789 7.789 7.561 0.228 17610 2303 1 3 . 1 1 77 77 TYR N N 71 119.847 119.847 118.402 1.445 17610 2304 1 3 . 1 1 77 77 TYR HA H 71 4.548 4.548 4.487 0.061 17610 2305 1 3 . 1 1 77 77 TYR C C 71 178.680 178.680 178.703 -0.023 17610 2306 1 3 . 1 1 77 77 TYR CA C 71 58.785 58.785 59.464 -0.679 17610 2307 1 3 . 1 1 77 77 TYR CB C 71 36.986 36.986 37.901 -0.915 17610 2308 1 3 . 1 1 77 77 TYR H H 71 8.131 8.131 7.378 0.753 17610 2309 1 3 . 1 1 78 78 MET N N 72 119.987 119.987 118.649 1.338 17610 2310 1 3 . 1 1 78 78 MET HA H 72 4.402 4.402 4.468 -0.066 17610 2311 1 3 . 1 1 78 78 MET C C 72 177.008 177.008 178.715 -1.707 17610 2312 1 3 . 1 1 78 78 MET CA C 72 59.028 59.028 59.562 -0.534 17610 2313 1 3 . 1 1 78 78 MET CB C 72 32.709 32.709 32.190 0.519 17610 2314 1 3 . 1 1 78 78 MET H H 72 8.380 8.380 7.752 0.628 17610 2315 1 3 . 1 1 79 79 ARG N N 73 117.792 117.792 117.360 0.432 17610 2316 1 3 . 1 1 79 79 ARG HA H 73 3.914 3.914 4.228 -0.314 17610 2317 1 3 . 1 1 79 79 ARG C C 73 178.169 178.169 177.790 0.379 17610 2318 1 3 . 1 1 79 79 ARG CA C 73 59.493 59.493 58.745 0.748 17610 2319 1 3 . 1 1 79 79 ARG CB C 73 30.100 30.100 30.304 -0.204 17610 2320 1 3 . 1 1 79 79 ARG H H 73 7.992 7.992 7.866 0.126 17610 2321 1 3 . 1 1 80 80 THR N N 74 110.012 110.012 108.220 1.792 17610 2322 1 3 . 1 1 80 80 THR HA H 74 4.242 4.242 4.568 -0.326 17610 2323 1 3 . 1 1 80 80 THR C C 74 175.640 175.640 174.622 1.018 17610 2324 1 3 . 1 1 80 80 THR CA C 74 62.863 62.863 61.437 1.427 17610 2325 1 3 . 1 1 80 80 THR CB C 74 69.808 69.808 69.299 0.509 17610 2326 1 3 . 1 1 80 80 THR H H 74 7.718 7.718 7.574 0.144 17610 2327 1 3 . 1 1 81 81 GLY N N 75 109.297 109.297 109.284 0.013 17610 2328 1 3 . 1 1 81 81 GLY C C 75 172.419 172.419 173.142 -0.723 17610 2329 1 3 . 1 1 81 81 GLY CA C 75 46.504 46.504 43.816 2.688 17610 2330 1 3 . 1 1 81 81 GLY H H 75 7.852 7.852 7.711 0.141 17610 2331 1 3 . 1 1 82 82 GLU N N 76 122.399 122.399 119.141 3.258 17610 2332 1 3 . 1 1 82 82 GLU HA H 76 4.523 4.523 4.525 -0.002 17610 2333 1 3 . 1 1 82 82 GLU C C 76 176.409 176.409 175.038 1.371 17610 2334 1 3 . 1 1 82 82 GLU CA C 76 56.469 56.469 55.798 0.671 17610 2335 1 3 . 1 1 82 82 GLU CB C 76 32.049 32.049 31.127 0.922 17610 2336 1 3 . 1 1 82 82 GLU H H 76 8.879 8.879 7.831 1.048 17610 2337 1 3 . 1 1 83 83 GLY N N 77 102.282 102.282 105.339 -3.057 17610 2338 1 3 . 1 1 83 83 GLY C C 77 170.803 170.803 171.385 -0.582 17610 2339 1 3 . 1 1 83 83 GLY CA C 77 45.453 45.453 45.313 0.140 17610 2340 1 3 . 1 1 83 83 GLY H H 77 7.192 7.192 7.037 0.155 17610 2341 1 3 . 1 1 84 84 PHE N N 78 122.648 122.648 117.271 5.377 17610 2342 1 3 . 1 1 84 84 PHE HA H 78 5.448 5.448 5.514 -0.066 17610 2343 1 3 . 1 1 84 84 PHE C C 78 173.734 173.734 173.961 -0.227 17610 2344 1 3 . 1 1 84 84 PHE CA C 78 57.065 57.065 56.590 0.475 17610 2345 1 3 . 1 1 84 84 PHE CB C 78 42.997 42.997 44.088 -1.091 17610 2346 1 3 . 1 1 84 84 PHE H H 78 8.224 8.224 8.184 0.040 17610 2347 1 3 . 1 1 85 85 LEU N N 79 127.298 127.298 122.162 5.136 17610 2348 1 3 . 1 1 85 85 LEU HA H 79 4.690 4.690 5.212 -0.522 17610 2349 1 3 . 1 1 85 85 LEU C C 79 174.690 174.690 175.102 -0.412 17610 2350 1 3 . 1 1 85 85 LEU CA C 79 53.981 53.981 53.928 0.053 17610 2351 1 3 . 1 1 85 85 LEU CB C 79 43.058 43.058 46.082 -3.024 17610 2352 1 3 . 1 1 85 85 LEU H H 79 9.189 9.189 8.518 0.671 17610 2353 1 3 . 1 1 86 86 CYS N N 80 125.581 125.581 127.088 -1.507 17610 2354 1 3 . 1 1 86 86 CYS HA H 80 4.689 4.689 4.661 0.028 17610 2355 1 3 . 1 1 86 86 CYS C C 80 172.664 172.664 173.679 -1.015 17610 2356 1 3 . 1 1 86 86 CYS CA C 80 57.767 57.767 59.035 -1.268 17610 2357 1 3 . 1 1 86 86 CYS CB C 80 27.397 27.397 28.311 -0.915 17610 2358 1 3 . 1 1 86 86 CYS H H 80 8.720 8.720 8.981 -0.261 17610 2359 1 3 . 1 1 87 87 VAL N N 81 127.252 127.252 127.039 0.213 17610 2360 1 3 . 1 1 87 87 VAL HA H 81 4.983 4.983 4.693 0.290 17610 2361 1 3 . 1 1 87 87 VAL C C 81 175.119 175.119 175.017 0.102 17610 2362 1 3 . 1 1 87 87 VAL CA C 81 61.275 61.275 61.505 -0.230 17610 2363 1 3 . 1 1 87 87 VAL CB C 81 33.407 33.407 32.542 0.865 17610 2364 1 3 . 1 1 87 87 VAL H H 81 9.028 9.028 8.765 0.263 17610 2365 1 3 . 1 1 88 88 PHE N N 82 125.157 125.157 126.789 -1.632 17610 2366 1 3 . 1 1 88 88 PHE HA H 82 4.992 4.992 5.065 -0.073 17610 2367 1 3 . 1 1 88 88 PHE C C 82 171.162 171.162 172.595 -1.433 17610 2368 1 3 . 1 1 88 88 PHE CA C 82 55.349 55.349 54.900 0.449 17610 2369 1 3 . 1 1 88 88 PHE CB C 82 40.430 40.430 42.473 -2.043 17610 2370 1 3 . 1 1 88 88 PHE H H 82 9.306 9.306 8.689 0.617 17610 2371 1 3 . 1 1 89 89 ALA N N 83 122.321 122.321 124.897 -2.576 17610 2372 1 3 . 1 1 89 89 ALA HA H 83 5.082 5.082 4.679 0.403 17610 2373 1 3 . 1 1 89 89 ALA C C 83 179.267 179.267 178.261 1.006 17610 2374 1 3 . 1 1 89 89 ALA CA C 83 49.635 49.635 49.260 0.375 17610 2375 1 3 . 1 1 89 89 ALA CB C 83 21.739 21.739 20.219 1.520 17610 2376 1 3 . 1 1 89 89 ALA H H 83 8.692 8.692 8.103 0.589 17610 2377 1 3 . 1 1 90 90 ILE N N 84 114.459 114.459 119.624 -5.165 17610 2378 1 3 . 1 1 90 90 ILE HA H 84 4.054 4.054 3.483 0.571 17610 2379 1 3 . 1 1 90 90 ILE C C 84 174.164 174.164 176.787 -2.623 17610 2380 1 3 . 1 1 90 90 ILE CA C 84 63.169 63.169 64.333 -1.164 17610 2381 1 3 . 1 1 90 90 ILE CB C 84 38.174 38.174 37.684 0.490 17610 2382 1 3 . 1 1 90 90 ILE H H 84 8.461 8.461 7.499 0.962 17610 2383 1 3 . 1 1 91 91 ASN N N 85 118.240 118.240 117.666 0.574 17610 2384 1 3 . 1 1 91 91 ASN HA H 85 5.049 5.049 4.759 0.290 17610 2385 1 3 . 1 1 91 91 ASN C C 85 174.583 174.583 175.108 -0.525 17610 2386 1 3 . 1 1 91 91 ASN CA C 85 52.161 52.161 54.206 -2.045 17610 2387 1 3 . 1 1 91 91 ASN CB C 85 38.132 38.132 38.860 -0.728 17610 2388 1 3 . 1 1 91 91 ASN H H 85 7.906 7.906 8.580 -0.674 17610 2389 1 3 . 1 1 92 92 ASN N N 86 120.345 120.345 117.198 3.147 17610 2390 1 3 . 1 1 92 92 ASN HA H 86 5.080 5.080 4.951 0.129 17610 2391 1 3 . 1 1 92 92 ASN C C 86 175.090 175.090 175.523 -0.433 17610 2392 1 3 . 1 1 92 92 ASN CA C 86 52.041 52.041 52.421 -0.380 17610 2393 1 3 . 1 1 92 92 ASN CB C 86 39.203 39.203 38.924 0.279 17610 2394 1 3 . 1 1 92 92 ASN H H 86 7.931 7.931 7.927 0.004 17610 2395 1 3 . 1 1 93 93 THR N N 87 125.665 125.665 120.258 5.407 17610 2396 1 3 . 1 1 93 93 THR HA H 87 3.772 3.772 4.162 -0.390 17610 2397 1 3 . 1 1 93 93 THR C C 87 176.012 176.012 175.900 0.112 17610 2398 1 3 . 1 1 93 93 THR CA C 87 66.753 66.753 66.757 -0.004 17610 2399 1 3 . 1 1 93 93 THR CB C 87 68.400 68.400 69.012 -0.612 17610 2400 1 3 . 1 1 93 93 THR H H 87 9.272 9.272 8.427 0.845 17610 2401 1 3 . 1 1 94 94 LYS N N 88 125.404 125.404 121.691 3.713 17610 2402 1 3 . 1 1 94 94 LYS HA H 88 4.186 4.186 4.057 0.129 17610 2403 1 3 . 1 1 94 94 LYS C C 88 178.027 178.027 178.046 -0.019 17610 2404 1 3 . 1 1 94 94 LYS CA C 88 59.359 59.359 59.741 -0.382 17610 2405 1 3 . 1 1 94 94 LYS CB C 88 31.292 31.292 31.976 -0.684 17610 2406 1 3 . 1 1 94 94 LYS H H 88 8.456 8.456 8.381 0.075 17610 2407 1 3 . 1 1 95 95 SER N N 89 115.491 115.491 115.707 -0.216 17610 2408 1 3 . 1 1 95 95 SER HA H 89 4.188 4.188 4.717 -0.529 17610 2409 1 3 . 1 1 95 95 SER C C 89 175.751 175.751 176.485 -0.734 17610 2410 1 3 . 1 1 95 95 SER CA C 89 61.751 61.751 61.530 0.221 17610 2411 1 3 . 1 1 95 95 SER CB C 89 63.530 63.530 62.978 0.552 17610 2412 1 3 . 1 1 95 95 SER H H 89 7.970 7.970 7.783 0.187 17610 2413 1 3 . 1 1 96 96 PHE N N 90 125.899 125.899 122.047 3.852 17610 2414 1 3 . 1 1 96 96 PHE HA H 90 4.037 4.037 4.142 -0.105 17610 2415 1 3 . 1 1 96 96 PHE C C 90 177.267 177.267 176.828 0.439 17610 2416 1 3 . 1 1 96 96 PHE CA C 90 59.688 59.688 61.050 -1.362 17610 2417 1 3 . 1 1 96 96 PHE CB C 90 40.175 40.175 39.261 0.914 17610 2418 1 3 . 1 1 96 96 PHE H H 90 7.419 7.419 7.995 -0.576 17610 2419 1 3 . 1 1 97 97 GLU N N 91 122.834 122.834 117.384 5.450 17610 2420 1 3 . 1 1 97 97 GLU HA H 91 3.787 3.787 3.988 -0.201 17610 2421 1 3 . 1 1 97 97 GLU C C 91 179.628 179.628 178.612 1.016 17610 2422 1 3 . 1 1 97 97 GLU CA C 91 59.004 59.004 59.510 -0.505 17610 2423 1 3 . 1 1 97 97 GLU CB C 91 29.261 29.261 29.729 -0.468 17610 2424 1 3 . 1 1 97 97 GLU H H 91 8.449 8.449 7.627 0.822 17610 2425 1 3 . 1 1 98 98 ASP N N 92 118.617 118.617 119.704 -1.087 17610 2426 1 3 . 1 1 98 98 ASP HA H 92 4.553 4.553 4.246 0.307 17610 2427 1 3 . 1 1 98 98 ASP C C 92 177.582 177.582 178.783 -1.201 17610 2428 1 3 . 1 1 98 98 ASP CA C 92 56.171 56.171 56.685 -0.514 17610 2429 1 3 . 1 1 98 98 ASP CB C 92 41.184 41.184 40.195 0.989 17610 2430 1 3 . 1 1 98 98 ASP H H 92 8.492 8.492 8.204 0.288 17610 2431 1 3 . 1 1 99 99 ILE N N 93 121.939 121.939 119.466 2.473 17610 2432 1 3 . 1 1 99 99 ILE HA H 93 3.954 3.954 4.037 -0.083 17610 2433 1 3 . 1 1 99 99 ILE C C 93 177.442 177.442 177.616 -0.174 17610 2434 1 3 . 1 1 99 99 ILE CA C 93 62.370 62.370 63.517 -1.147 17610 2435 1 3 . 1 1 99 99 ILE CB C 93 34.570 34.570 36.682 -2.112 17610 2436 1 3 . 1 1 99 99 ILE H H 93 7.583 7.583 8.653 -1.070 17610 2437 1 3 . 1 1 100 100 HIS N N 94 118.387 118.387 119.659 -1.272 17610 2438 1 3 . 1 1 100 100 HIS HA H 94 4.273 4.273 4.514 -0.241 17610 2439 1 3 . 1 1 100 100 HIS C C 94 177.345 177.345 177.658 -0.313 17610 2440 1 3 . 1 1 100 100 HIS CA C 94 60.090 60.090 59.120 0.970 17610 2441 1 3 . 1 1 100 100 HIS CB C 94 30.512 30.512 30.149 0.363 17610 2442 1 3 . 1 1 100 100 HIS H H 94 7.799 7.799 7.568 0.231 17610 2443 1 3 . 1 1 101 101 GLN N N 95 117.673 117.673 119.507 -1.834 17610 2444 1 3 . 1 1 101 101 GLN HA H 95 3.941 3.941 3.646 0.295 17610 2445 1 3 . 1 1 101 101 GLN C C 95 179.155 179.155 178.169 0.986 17610 2446 1 3 . 1 1 101 101 GLN CA C 95 58.371 58.371 57.900 0.471 17610 2447 1 3 . 1 1 101 101 GLN CB C 95 27.807 27.807 27.288 0.519 17610 2448 1 3 . 1 1 101 101 GLN H H 95 7.468 7.468 7.614 -0.146 17610 2449 1 3 . 1 1 102 102 TYR N N 96 120.407 120.407 119.783 0.624 17610 2450 1 3 . 1 1 102 102 TYR HA H 96 4.064 4.064 4.046 0.018 17610 2451 1 3 . 1 1 102 102 TYR C C 96 177.660 177.660 178.336 -0.676 17610 2452 1 3 . 1 1 102 102 TYR CA C 96 62.847 62.847 60.272 2.575 17610 2453 1 3 . 1 1 102 102 TYR CB C 96 37.795 37.795 37.963 -0.168 17610 2454 1 3 . 1 1 102 102 TYR H H 96 7.600 7.600 8.456 -0.856 17610 2455 1 3 . 1 1 103 103 ARG N N 97 119.974 119.974 119.573 0.401 17610 2456 1 3 . 1 1 103 103 ARG HA H 97 3.616 3.616 3.725 -0.109 17610 2457 1 3 . 1 1 103 103 ARG C C 97 177.618 177.618 177.686 -0.068 17610 2458 1 3 . 1 1 103 103 ARG CA C 97 59.938 59.938 59.510 0.428 17610 2459 1 3 . 1 1 103 103 ARG CB C 97 28.599 28.599 29.449 -0.850 17610 2460 1 3 . 1 1 103 103 ARG H H 97 8.395 8.395 7.644 0.751 17610 2461 1 3 . 1 1 104 104 GLU N N 98 118.351 118.351 118.188 0.163 17610 2462 1 3 . 1 1 104 104 GLU HA H 98 3.781 3.781 3.847 -0.066 17610 2463 1 3 . 1 1 104 104 GLU C C 98 178.982 178.982 178.836 0.146 17610 2464 1 3 . 1 1 104 104 GLU CA C 98 58.900 58.900 59.182 -0.282 17610 2465 1 3 . 1 1 104 104 GLU CB C 98 29.435 29.435 28.881 0.554 17610 2466 1 3 . 1 1 104 104 GLU H H 98 7.970 7.970 7.686 0.284 17610 2467 1 3 . 1 1 105 105 GLN N N 99 121.350 121.350 118.122 3.228 17610 2468 1 3 . 1 1 105 105 GLN HA H 99 3.946 3.946 4.029 -0.083 17610 2469 1 3 . 1 1 105 105 GLN C C 99 177.701 177.701 178.352 -0.651 17610 2470 1 3 . 1 1 105 105 GLN CA C 99 59.037 59.037 58.686 0.351 17610 2471 1 3 . 1 1 105 105 GLN CB C 99 27.938 27.938 28.711 -0.773 17610 2472 1 3 . 1 1 105 105 GLN H H 99 7.907 7.907 7.557 0.350 17610 2473 1 3 . 1 1 106 106 ILE N N 100 121.310 121.310 119.973 1.337 17610 2474 1 3 . 1 1 106 106 ILE HA H 100 3.177 3.177 3.493 -0.316 17610 2475 1 3 . 1 1 106 106 ILE C C 100 177.199 177.199 178.272 -1.073 17610 2476 1 3 . 1 1 106 106 ILE CA C 100 65.682 65.682 64.442 1.240 17610 2477 1 3 . 1 1 106 106 ILE CB C 100 37.874 37.874 37.321 0.553 17610 2478 1 3 . 1 1 106 106 ILE H H 100 7.920 7.920 7.479 0.441 17610 2479 1 3 . 1 1 107 107 LYS N N 101 118.584 118.584 119.799 -1.215 17610 2480 1 3 . 1 1 107 107 LYS HA H 101 3.951 3.951 4.207 -0.256 17610 2481 1 3 . 1 1 107 107 LYS C C 101 179.476 179.476 178.686 0.790 17610 2482 1 3 . 1 1 107 107 LYS CA C 101 59.571 59.571 58.364 1.207 17610 2483 1 3 . 1 1 107 107 LYS CB C 101 32.227 32.227 31.645 0.582 17610 2484 1 3 . 1 1 107 107 LYS H H 101 7.782 7.782 7.711 0.071 17610 2485 1 3 . 1 1 108 108 ARG N N 102 119.152 119.152 118.904 0.248 17610 2486 1 3 . 1 1 108 108 ARG HA H 102 4.082 4.082 4.026 0.056 17610 2487 1 3 . 1 1 108 108 ARG C C 102 179.582 179.582 178.302 1.280 17610 2488 1 3 . 1 1 108 108 ARG CA C 102 58.946 58.946 58.843 0.103 17610 2489 1 3 . 1 1 108 108 ARG CB C 102 30.097 30.097 30.087 0.010 17610 2490 1 3 . 1 1 108 108 ARG H H 102 7.777 7.777 7.297 0.480 17610 2491 1 3 . 1 1 109 109 VAL N N 103 119.544 119.544 118.965 0.579 17610 2492 1 3 . 1 1 109 109 VAL HA H 103 3.837 3.837 3.786 0.051 17610 2493 1 3 . 1 1 109 109 VAL C C 103 177.919 177.919 177.940 -0.021 17610 2494 1 3 . 1 1 109 109 VAL CA C 103 65.393 65.393 65.112 0.281 17610 2495 1 3 . 1 1 109 109 VAL CB C 103 31.599 31.599 31.465 0.134 17610 2496 1 3 . 1 1 109 109 VAL H H 103 8.282 8.282 7.784 0.498 17610 2497 1 3 . 1 1 110 110 LYS N N 104 117.592 117.592 117.361 0.231 17610 2498 1 3 . 1 1 110 110 LYS HA H 104 4.269 4.269 4.300 -0.031 17610 2499 1 3 . 1 1 110 110 LYS C C 104 175.878 175.878 176.640 -0.762 17610 2500 1 3 . 1 1 110 110 LYS CA C 104 54.797 54.797 56.683 -1.886 17610 2501 1 3 . 1 1 110 110 LYS CB C 104 30.687 30.687 32.634 -1.947 17610 2502 1 3 . 1 1 110 110 LYS H H 104 8.117 8.117 8.043 0.074 17610 2503 1 3 . 1 1 111 111 ASP N N 105 122.118 122.118 117.749 4.369 17610 2504 1 3 . 1 1 111 111 ASP HA H 105 4.306 4.306 4.401 -0.095 17610 2505 1 3 . 1 1 111 111 ASP C C 105 174.496 174.496 174.999 -0.503 17610 2506 1 3 . 1 1 111 111 ASP CA C 105 54.442 54.442 55.364 -0.922 17610 2507 1 3 . 1 1 111 111 ASP CB C 105 39.792 39.792 39.619 0.173 17610 2508 1 3 . 1 1 111 111 ASP H H 105 7.958 7.958 7.796 0.162 17610 2509 1 3 . 1 1 112 112 SER N N 106 110.372 110.372 111.607 -1.235 17610 2510 1 3 . 1 1 112 112 SER HA H 106 4.565 4.565 4.606 -0.041 17610 2511 1 3 . 1 1 112 112 SER C C 106 172.985 172.985 173.880 -0.895 17610 2512 1 3 . 1 1 112 112 SER CA C 106 56.779 56.779 57.670 -0.891 17610 2513 1 3 . 1 1 112 112 SER CB C 106 65.259 65.259 65.172 0.087 17610 2514 1 3 . 1 1 112 112 SER H H 106 7.539 7.539 7.582 -0.043 17610 2515 1 3 . 1 1 113 113 ASP N N 107 123.301 123.301 122.840 0.461 17610 2516 1 3 . 1 1 113 113 ASP HA H 107 4.665 4.665 4.468 0.197 17610 2517 1 3 . 1 1 113 113 ASP C C 107 176.066 176.066 176.384 -0.318 17610 2518 1 3 . 1 1 113 113 ASP CA C 107 54.267 54.267 56.094 -1.827 17610 2519 1 3 . 1 1 113 113 ASP CB C 107 41.837 41.837 41.007 0.830 17610 2520 1 3 . 1 1 113 113 ASP H H 107 8.385 8.385 8.659 -0.274 17610 2521 1 3 . 1 1 114 114 ASP N N 108 122.347 122.347 121.080 1.267 17610 2522 1 3 . 1 1 114 114 ASP HA H 108 4.882 4.882 4.711 0.171 17610 2523 1 3 . 1 1 114 114 ASP C C 108 174.386 174.386 175.462 -1.076 17610 2524 1 3 . 1 1 114 114 ASP CA C 108 53.143 53.143 53.600 -0.457 17610 2525 1 3 . 1 1 114 114 ASP CB C 108 41.323 41.323 40.536 0.787 17610 2526 1 3 . 1 1 114 114 ASP H H 108 8.404 8.404 8.180 0.224 17610 2527 1 3 . 1 1 115 115 VAL N N 109 123.609 123.609 119.685 3.924 17610 2528 1 3 . 1 1 115 115 VAL HA H 109 4.337 4.337 4.465 -0.128 17610 2529 1 3 . 1 1 115 115 VAL CA C 109 58.984 58.984 57.498 1.486 17610 2530 1 3 . 1 1 115 115 VAL CB C 109 34.932 34.932 33.844 1.088 17610 2531 1 3 . 1 1 115 115 VAL H H 109 7.649 7.649 7.486 0.163 17610 2532 1 3 . 1 1 116 116 PRO HA H 110 4.430 4.430 4.581 -0.151 17610 2533 1 3 . 1 1 116 116 PRO C C 110 175.942 175.942 175.823 0.119 17610 2534 1 3 . 1 1 116 116 PRO CA C 110 63.872 63.872 62.895 0.977 17610 2535 1 3 . 1 1 116 116 PRO CB C 110 32.120 32.120 30.628 1.492 17610 2536 1 3 . 1 1 117 117 MET N N 111 124.020 124.020 119.309 4.711 17610 2537 1 3 . 1 1 117 117 MET HA H 111 5.777 5.777 5.319 0.458 17610 2538 1 3 . 1 1 117 117 MET C C 111 173.737 173.737 173.868 -0.131 17610 2539 1 3 . 1 1 117 117 MET CA C 111 55.094 55.094 54.760 0.334 17610 2540 1 3 . 1 1 117 117 MET CB C 111 37.889 37.889 37.012 0.877 17610 2541 1 3 . 1 1 117 117 MET H H 111 8.274 8.274 7.718 0.556 17610 2542 1 3 . 1 1 118 118 VAL N N 112 118.747 118.747 116.208 2.539 17610 2543 1 3 . 1 1 118 118 VAL HA H 112 4.341 4.341 4.497 -0.156 17610 2544 1 3 . 1 1 118 118 VAL C C 112 173.171 173.171 173.535 -0.364 17610 2545 1 3 . 1 1 118 118 VAL CA C 112 60.943 60.943 60.697 0.246 17610 2546 1 3 . 1 1 118 118 VAL CB C 112 37.030 37.030 36.490 0.540 17610 2547 1 3 . 1 1 118 118 VAL H H 112 8.119 8.119 8.356 -0.237 17610 2548 1 3 . 1 1 119 119 LEU N N 113 129.931 129.931 126.717 3.214 17610 2549 1 3 . 1 1 119 119 LEU HA H 113 5.157 5.157 5.162 -0.005 17610 2550 1 3 . 1 1 119 119 LEU C C 113 173.496 173.496 174.910 -1.414 17610 2551 1 3 . 1 1 119 119 LEU CA C 113 53.828 53.828 53.493 0.334 17610 2552 1 3 . 1 1 119 119 LEU CB C 113 43.876 43.876 43.653 0.223 17610 2553 1 3 . 1 1 119 119 LEU H H 113 8.918 8.918 8.060 0.858 17610 2554 1 3 . 1 1 120 120 VAL N N 114 129.371 129.371 127.385 1.986 17610 2555 1 3 . 1 1 120 120 VAL HA H 114 5.117 5.117 5.013 0.104 17610 2556 1 3 . 1 1 120 120 VAL C C 114 173.667 173.667 175.362 -1.695 17610 2557 1 3 . 1 1 120 120 VAL CA C 114 60.124 60.124 60.393 -0.269 17610 2558 1 3 . 1 1 120 120 VAL CB C 114 35.225 35.225 34.765 0.460 17610 2559 1 3 . 1 1 120 120 VAL H H 114 9.173 9.173 9.153 0.020 17610 2560 1 3 . 1 1 121 121 GLY N N 115 115.789 115.789 111.270 4.519 17610 2561 1 3 . 1 1 121 121 GLY C C 115 171.603 171.603 173.297 -1.694 17610 2562 1 3 . 1 1 121 121 GLY CA C 115 45.256 45.256 44.093 1.163 17610 2563 1 3 . 1 1 121 121 GLY H H 115 8.046 8.046 9.089 -1.043 17610 2564 1 3 . 1 1 122 122 ASN N N 116 122.349 122.349 123.976 -1.627 17610 2565 1 3 . 1 1 122 122 ASN HA H 116 5.620 5.620 4.750 0.870 17610 2566 1 3 . 1 1 122 122 ASN C C 116 174.732 174.732 175.565 -0.833 17610 2567 1 3 . 1 1 122 122 ASN CA C 116 51.492 51.492 52.371 -0.879 17610 2568 1 3 . 1 1 122 122 ASN CB C 116 41.323 41.323 40.170 1.153 17610 2569 1 3 . 1 1 122 122 ASN H H 116 8.756 8.756 8.081 0.675 17610 2570 1 3 . 1 1 123 123 LYS N N 117 113.297 113.297 115.379 -2.082 17610 2571 1 3 . 1 1 123 123 LYS HA H 117 4.280 4.280 3.906 0.374 17610 2572 1 3 . 1 1 123 123 LYS C C 117 177.324 177.324 177.001 0.323 17610 2573 1 3 . 1 1 123 123 LYS CA C 117 57.273 57.273 57.762 -0.489 17610 2574 1 3 . 1 1 123 123 LYS CB C 117 29.775 29.775 29.560 0.215 17610 2575 1 3 . 1 1 123 123 LYS H H 117 7.342 7.342 8.768 -1.426 17610 2576 1 3 . 1 1 124 124 CYS N N 118 115.340 115.340 117.638 -2.298 17610 2577 1 3 . 1 1 124 124 CYS HA H 118 4.292 4.292 4.131 0.161 17610 2578 1 3 . 1 1 124 124 CYS C C 118 173.325 173.325 175.084 -1.759 17610 2579 1 3 . 1 1 124 124 CYS CA C 118 60.698 60.698 60.600 0.098 17610 2580 1 3 . 1 1 124 124 CYS CB C 118 26.387 26.387 27.552 -1.165 17610 2581 1 3 . 1 1 124 124 CYS H H 118 8.763 8.763 8.366 0.397 17610 2582 1 3 . 1 1 125 125 ASP N N 119 118.603 118.603 119.878 -1.275 17610 2583 1 3 . 1 1 125 125 ASP HA H 119 4.476 4.476 4.572 -0.096 17610 2584 1 3 . 1 1 125 125 ASP C C 119 175.464 175.464 176.672 -1.208 17610 2585 1 3 . 1 1 125 125 ASP CA C 119 53.951 53.951 55.323 -1.372 17610 2586 1 3 . 1 1 125 125 ASP CB C 119 41.323 41.323 41.054 0.269 17610 2587 1 3 . 1 1 125 125 ASP H H 119 8.613 8.613 8.351 0.262 17610 2588 1 3 . 1 1 126 126 LEU N N 120 122.098 122.098 120.784 1.314 17610 2589 1 3 . 1 1 126 126 LEU HA H 120 4.241 4.241 4.143 0.098 17610 2590 1 3 . 1 1 126 126 LEU C C 120 176.420 176.420 177.434 -1.014 17610 2591 1 3 . 1 1 126 126 LEU CA C 120 54.723 54.723 55.301 -0.578 17610 2592 1 3 . 1 1 126 126 LEU CB C 120 41.837 41.837 41.939 -0.102 17610 2593 1 3 . 1 1 126 126 LEU H H 120 7.802 7.802 7.910 -0.108 17610 2594 1 3 . 1 1 127 127 ALA N N 121 123.959 123.959 124.761 -0.802 17610 2595 1 3 . 1 1 127 127 ALA HA H 121 4.214 4.214 4.360 -0.146 17610 2596 1 3 . 1 1 127 127 ALA C C 121 178.717 178.717 176.574 2.143 17610 2597 1 3 . 1 1 127 127 ALA CA C 121 53.179 53.179 52.475 0.704 17610 2598 1 3 . 1 1 127 127 ALA CB C 121 18.871 18.871 19.217 -0.346 17610 2599 1 3 . 1 1 127 127 ALA H H 121 8.160 8.160 8.469 -0.309 17610 2600 1 3 . 1 1 128 128 ALA N N 122 123.078 123.078 121.443 1.635 17610 2601 1 3 . 1 1 128 128 ALA HA H 122 4.524 4.524 4.530 -0.006 17610 2602 1 3 . 1 1 128 128 ALA C C 122 175.272 175.272 175.861 -0.589 17610 2603 1 3 . 1 1 128 128 ALA CA C 122 51.259 51.259 51.569 -0.311 17610 2604 1 3 . 1 1 128 128 ALA CB C 122 17.623 17.623 19.355 -1.732 17610 2605 1 3 . 1 1 128 128 ALA H H 122 7.698 7.698 7.710 -0.012 17610 2606 1 3 . 1 1 129 129 ARG N N 123 121.454 121.454 121.941 -0.487 17610 2607 1 3 . 1 1 129 129 ARG HA H 123 4.093 4.093 4.283 -0.190 17610 2608 1 3 . 1 1 129 129 ARG C C 123 176.271 176.271 176.181 0.090 17610 2609 1 3 . 1 1 129 129 ARG CA C 123 55.596 55.596 55.886 -0.290 17610 2610 1 3 . 1 1 129 129 ARG CB C 123 32.696 32.696 28.295 4.401 17610 2611 1 3 . 1 1 129 129 ARG H H 123 7.992 7.992 8.276 -0.284 17610 2612 1 3 . 1 1 130 130 THR N N 124 115.617 115.617 114.016 1.601 17610 2613 1 3 . 1 1 130 130 THR HA H 124 4.564 4.564 4.105 0.459 17610 2614 1 3 . 1 1 130 130 THR C C 124 174.119 174.119 175.271 -1.152 17610 2615 1 3 . 1 1 130 130 THR CA C 124 61.746 61.746 64.933 -3.187 17610 2616 1 3 . 1 1 130 130 THR CB C 124 69.094 69.094 69.084 0.010 17610 2617 1 3 . 1 1 130 130 THR H H 124 9.145 9.145 8.168 0.977 17610 2618 1 3 . 1 1 131 131 VAL N N 125 125.688 125.688 124.661 1.027 17610 2619 1 3 . 1 1 131 131 VAL HA H 125 4.015 4.015 4.094 -0.079 17610 2620 1 3 . 1 1 131 131 VAL C C 125 175.658 175.658 174.711 0.947 17610 2621 1 3 . 1 1 131 131 VAL CA C 125 61.373 61.373 61.022 0.351 17610 2622 1 3 . 1 1 131 131 VAL CB C 125 33.147 33.147 31.323 1.824 17610 2623 1 3 . 1 1 131 131 VAL H H 125 7.618 7.618 7.937 -0.319 17610 2624 1 3 . 1 1 132 132 GLU N N 126 128.319 128.319 126.675 1.644 17610 2625 1 3 . 1 1 132 132 GLU HA H 126 4.228 4.228 4.196 0.032 17610 2626 1 3 . 1 1 132 132 GLU C C 126 177.986 177.986 177.691 0.295 17610 2627 1 3 . 1 1 132 132 GLU CA C 126 56.323 56.323 56.509 -0.186 17610 2628 1 3 . 1 1 132 132 GLU CB C 126 30.158 30.158 30.002 0.156 17610 2629 1 3 . 1 1 132 132 GLU H H 126 8.727 8.727 8.086 0.641 17610 2630 1 3 . 1 1 133 133 SER N N 127 122.970 122.970 115.573 7.397 17610 2631 1 3 . 1 1 133 133 SER HA H 127 4.074 4.074 4.322 -0.248 17610 2632 1 3 . 1 1 133 133 SER C C 127 176.633 176.633 176.493 0.140 17610 2633 1 3 . 1 1 133 133 SER CA C 127 62.598 62.598 61.858 0.740 17610 2634 1 3 . 1 1 133 133 SER CB C 127 62.511 62.511 63.181 -0.670 17610 2635 1 3 . 1 1 133 133 SER H H 127 9.421 9.421 8.773 0.648 17610 2636 1 3 . 1 1 134 134 ARG N N 128 119.141 119.141 122.056 -2.915 17610 2637 1 3 . 1 1 134 134 ARG HA H 128 4.028 4.028 4.026 0.002 17610 2638 1 3 . 1 1 134 134 ARG C C 128 177.739 177.739 178.196 -0.457 17610 2639 1 3 . 1 1 134 134 ARG CA C 128 58.785 58.785 59.777 -0.992 17610 2640 1 3 . 1 1 134 134 ARG CB C 128 29.752 29.752 29.672 0.080 17610 2641 1 3 . 1 1 134 134 ARG H H 128 8.675 8.675 8.468 0.207 17610 2642 1 3 . 1 1 135 135 GLN N N 129 118.050 118.050 117.788 0.262 17610 2643 1 3 . 1 1 135 135 GLN HA H 129 4.091 4.091 3.897 0.194 17610 2644 1 3 . 1 1 135 135 GLN C C 129 179.009 179.009 177.787 1.222 17610 2645 1 3 . 1 1 135 135 GLN CA C 129 58.389 58.389 59.066 -0.676 17610 2646 1 3 . 1 1 135 135 GLN CB C 129 28.916 28.916 28.163 0.753 17610 2647 1 3 . 1 1 135 135 GLN H H 129 6.796 6.796 8.558 -1.762 17610 2648 1 3 . 1 1 136 136 ALA N N 130 124.769 124.769 120.727 4.042 17610 2649 1 3 . 1 1 136 136 ALA HA H 130 3.933 3.933 3.925 0.008 17610 2650 1 3 . 1 1 136 136 ALA C C 130 178.155 178.155 179.522 -1.367 17610 2651 1 3 . 1 1 136 136 ALA CA C 130 54.760 54.760 54.463 0.297 17610 2652 1 3 . 1 1 136 136 ALA CB C 130 18.546 18.546 17.799 0.747 17610 2653 1 3 . 1 1 136 136 ALA H H 130 7.017 7.017 7.499 -0.482 17610 2654 1 3 . 1 1 137 137 GLN N N 131 119.215 119.215 118.629 0.586 17610 2655 1 3 . 1 1 137 137 GLN HA H 131 3.720 3.720 3.823 -0.103 17610 2656 1 3 . 1 1 137 137 GLN C C 131 179.387 179.387 178.225 1.162 17610 2657 1 3 . 1 1 137 137 GLN CA C 131 58.815 58.815 59.669 -0.854 17610 2658 1 3 . 1 1 137 137 GLN CB C 131 28.503 28.503 28.597 -0.094 17610 2659 1 3 . 1 1 137 137 GLN H H 131 8.602 8.602 8.223 0.379 17610 2660 1 3 . 1 1 138 138 ASP N N 132 121.298 121.298 120.359 0.939 17610 2661 1 3 . 1 1 138 138 ASP HA H 132 4.371 4.371 4.306 0.065 17610 2662 1 3 . 1 1 138 138 ASP C C 132 178.855 178.855 178.647 0.208 17610 2663 1 3 . 1 1 138 138 ASP CA C 132 57.425 57.425 57.645 -0.220 17610 2664 1 3 . 1 1 138 138 ASP CB C 132 40.860 40.860 40.710 0.150 17610 2665 1 3 . 1 1 138 138 ASP H H 132 8.203 8.203 8.169 0.034 17610 2666 1 3 . 1 1 139 139 LEU N N 133 124.786 124.786 120.417 4.369 17610 2667 1 3 . 1 1 139 139 LEU HA H 133 3.888 3.888 3.904 -0.016 17610 2668 1 3 . 1 1 139 139 LEU C C 133 178.953 178.953 177.765 1.188 17610 2669 1 3 . 1 1 139 139 LEU CA C 133 57.827 57.827 57.589 0.238 17610 2670 1 3 . 1 1 139 139 LEU CB C 133 41.837 41.837 41.735 0.102 17610 2671 1 3 . 1 1 139 139 LEU H H 133 7.485 7.485 7.150 0.335 17610 2672 1 3 . 1 1 140 140 ALA N N 134 123.038 123.038 121.545 1.493 17610 2673 1 3 . 1 1 140 140 ALA HA H 134 3.783 3.783 3.980 -0.197 17610 2674 1 3 . 1 1 140 140 ALA C C 134 179.902 179.902 179.244 0.658 17610 2675 1 3 . 1 1 140 140 ALA CA C 134 55.832 55.832 55.350 0.482 17610 2676 1 3 . 1 1 140 140 ALA CB C 134 18.120 18.120 18.312 -0.192 17610 2677 1 3 . 1 1 140 140 ALA H H 134 8.426 8.426 7.716 0.710 17610 2678 1 3 . 1 1 141 141 ARG N N 135 119.537 119.537 117.481 2.056 17610 2679 1 3 . 1 1 141 141 ARG HA H 135 4.194 4.194 4.002 0.192 17610 2680 1 3 . 1 1 141 141 ARG C C 135 180.037 180.037 178.588 1.449 17610 2681 1 3 . 1 1 141 141 ARG CA C 135 59.331 59.331 59.179 0.152 17610 2682 1 3 . 1 1 141 141 ARG CB C 135 29.864 29.864 30.144 -0.280 17610 2683 1 3 . 1 1 141 141 ARG H H 135 8.459 8.459 8.424 0.035 17610 2684 1 3 . 1 1 142 142 SER N N 136 118.958 118.958 113.613 5.345 17610 2685 1 3 . 1 1 142 142 SER HA H 136 4.277 4.277 4.192 0.085 17610 2686 1 3 . 1 1 142 142 SER C C 136 176.127 176.127 175.655 0.472 17610 2687 1 3 . 1 1 142 142 SER CA C 136 61.509 61.509 60.537 0.972 17610 2688 1 3 . 1 1 142 142 SER CB C 136 62.529 62.529 63.092 -0.563 17610 2689 1 3 . 1 1 142 142 SER H H 136 7.944 7.944 7.318 0.626 17610 2690 1 3 . 1 1 143 143 TYR N N 137 121.309 121.309 117.780 3.529 17610 2691 1 3 . 1 1 143 143 TYR HA H 137 4.907 4.907 4.482 0.425 17610 2692 1 3 . 1 1 143 143 TYR C C 137 176.279 176.279 177.023 -0.744 17610 2693 1 3 . 1 1 143 143 TYR CA C 137 54.737 54.737 57.525 -2.788 17610 2694 1 3 . 1 1 143 143 TYR CB C 137 38.830 38.830 39.017 -0.187 17610 2695 1 3 . 1 1 143 143 TYR H H 137 7.623 7.623 7.304 0.319 17610 2696 1 3 . 1 1 144 144 GLY N N 138 112.193 112.193 107.830 4.363 17610 2697 1 3 . 1 1 144 144 GLY C C 138 175.077 175.077 174.483 0.594 17610 2698 1 3 . 1 1 144 144 GLY CA C 138 46.439 46.439 45.775 0.664 17610 2699 1 3 . 1 1 144 144 GLY H H 138 8.328 8.328 7.830 0.498 17610 2700 1 3 . 1 1 145 145 ILE N N 139 114.227 114.227 116.222 -1.995 17610 2701 1 3 . 1 1 145 145 ILE HA H 139 5.241 5.241 4.798 0.443 17610 2702 1 3 . 1 1 145 145 ILE CA C 139 58.420 58.420 57.970 0.450 17610 2703 1 3 . 1 1 145 145 ILE CB C 139 38.543 38.543 39.238 -0.695 17610 2704 1 3 . 1 1 145 145 ILE H H 139 8.059 8.059 7.562 0.497 17610 2705 1 3 . 1 1 146 146 PRO HA H 140 4.627 4.627 4.473 0.154 17610 2706 1 3 . 1 1 146 146 PRO C C 140 174.570 174.570 175.314 -0.744 17610 2707 1 3 . 1 1 146 146 PRO CA C 140 62.362 62.362 62.430 -0.068 17610 2708 1 3 . 1 1 146 146 PRO CB C 140 33.057 33.057 32.580 0.477 17610 2709 1 3 . 1 1 147 147 TYR N N 141 121.135 121.135 122.818 -1.683 17610 2710 1 3 . 1 1 147 147 TYR HA H 141 5.997 5.997 5.464 0.533 17610 2711 1 3 . 1 1 147 147 TYR C C 141 174.492 174.492 174.977 -0.485 17610 2712 1 3 . 1 1 147 147 TYR CA C 141 54.912 54.912 55.622 -0.710 17610 2713 1 3 . 1 1 147 147 TYR CB C 141 40.972 40.972 39.474 1.498 17610 2714 1 3 . 1 1 147 147 TYR H H 141 8.252 8.252 8.400 -0.148 17610 2715 1 3 . 1 1 148 148 ILE N N 142 131.362 131.362 128.747 2.615 17610 2716 1 3 . 1 1 148 148 ILE HA H 142 3.948 3.948 4.245 -0.297 17610 2717 1 3 . 1 1 148 148 ILE C C 142 172.977 172.977 174.457 -1.480 17610 2718 1 3 . 1 1 148 148 ILE CA C 142 59.383 59.383 59.872 -0.489 17610 2719 1 3 . 1 1 148 148 ILE CB C 142 42.260 42.260 40.777 1.483 17610 2720 1 3 . 1 1 148 148 ILE H H 142 8.495 8.495 8.126 0.369 17610 2721 1 3 . 1 1 149 149 GLU N N 143 125.874 125.874 124.160 1.714 17610 2722 1 3 . 1 1 149 149 GLU HA H 143 4.788 4.788 4.836 -0.048 17610 2723 1 3 . 1 1 149 149 GLU C C 143 176.128 176.128 175.671 0.457 17610 2724 1 3 . 1 1 149 149 GLU CA C 143 55.647 55.647 55.011 0.636 17610 2725 1 3 . 1 1 149 149 GLU CB C 143 29.727 29.727 31.273 -1.546 17610 2726 1 3 . 1 1 149 149 GLU H H 143 7.827 7.827 8.569 -0.742 17610 2727 1 3 . 1 1 150 150 THR N N 144 113.629 113.629 114.441 -0.812 17610 2728 1 3 . 1 1 150 150 THR HA H 144 5.081 5.081 5.147 -0.066 17610 2729 1 3 . 1 1 150 150 THR C C 144 176.136 176.136 173.222 2.914 17610 2730 1 3 . 1 1 150 150 THR CA C 144 59.464 59.464 59.646 -0.182 17610 2731 1 3 . 1 1 150 150 THR CB C 144 73.639 73.639 71.820 1.819 17610 2732 1 3 . 1 1 150 150 THR H H 144 8.800 8.800 8.464 0.336 17610 2733 1 3 . 1 1 151 151 SER N N 145 113.706 113.706 115.077 -1.371 17610 2734 1 3 . 1 1 151 151 SER HA H 145 4.883 4.883 5.136 -0.253 17610 2735 1 3 . 1 1 151 151 SER C C 145 175.707 175.707 173.400 2.307 17610 2736 1 3 . 1 1 151 151 SER CA C 145 57.438 57.438 56.975 0.463 17610 2737 1 3 . 1 1 151 151 SER CB C 145 64.470 64.470 66.021 -1.551 17610 2738 1 3 . 1 1 151 151 SER H H 145 8.807 8.807 8.183 0.624 17610 2739 1 3 . 1 1 152 152 ALA N N 146 133.500 133.500 129.213 4.287 17610 2740 1 3 . 1 1 152 152 ALA HA H 146 3.890 3.890 4.209 -0.319 17610 2741 1 3 . 1 1 152 152 ALA C C 146 175.632 175.632 177.588 -1.956 17610 2742 1 3 . 1 1 152 152 ALA CA C 146 54.416 54.416 54.747 -0.331 17610 2743 1 3 . 1 1 152 152 ALA CB C 146 18.605 18.605 18.830 -0.225 17610 2744 1 3 . 1 1 152 152 ALA H H 146 9.134 9.134 8.526 0.608 17610 2745 1 3 . 1 1 153 153 LYS N N 147 117.223 117.223 117.873 -0.650 17610 2746 1 3 . 1 1 153 153 LYS HA H 147 2.616 2.616 4.507 -1.891 17610 2747 1 3 . 1 1 153 153 LYS C C 147 177.045 177.045 177.979 -0.934 17610 2748 1 3 . 1 1 153 153 LYS CA C 147 58.119 58.119 58.838 -0.719 17610 2749 1 3 . 1 1 153 153 LYS CB C 147 33.956 33.956 32.214 1.742 17610 2750 1 3 . 1 1 153 153 LYS H H 147 7.042 7.042 8.163 -1.121 17610 2751 1 3 . 1 1 154 154 THR N N 148 107.404 107.404 108.750 -1.346 17610 2752 1 3 . 1 1 154 154 THR HA H 148 4.157 4.157 4.203 -0.046 17610 2753 1 3 . 1 1 154 154 THR C C 148 175.979 175.979 174.555 1.424 17610 2754 1 3 . 1 1 154 154 THR CA C 148 61.489 61.489 63.022 -1.533 17610 2755 1 3 . 1 1 154 154 THR CB C 148 69.911 69.911 69.208 0.703 17610 2756 1 3 . 1 1 154 154 THR H H 148 7.721 7.721 7.855 -0.134 17610 2757 1 3 . 1 1 155 155 ARG N N 149 119.268 119.268 120.083 -0.815 17610 2758 1 3 . 1 1 155 155 ARG HA H 149 3.476 3.476 4.082 -0.606 17610 2759 1 3 . 1 1 155 155 ARG C C 149 175.481 175.481 174.300 1.181 17610 2760 1 3 . 1 1 155 155 ARG CA C 149 59.653 59.653 56.872 2.781 17610 2761 1 3 . 1 1 155 155 ARG CB C 149 30.445 30.445 27.992 2.453 17610 2762 1 3 . 1 1 155 155 ARG H H 149 7.814 7.814 7.937 -0.123 17610 2763 1 3 . 1 1 156 156 GLN N N 150 125.391 125.391 121.382 4.009 17610 2764 1 3 . 1 1 156 156 GLN HA H 150 4.065 4.065 4.478 -0.413 17610 2765 1 3 . 1 1 156 156 GLN C C 150 177.007 177.007 175.878 1.129 17610 2766 1 3 . 1 1 156 156 GLN CA C 150 57.433 57.433 55.149 2.284 17610 2767 1 3 . 1 1 156 156 GLN CB C 150 28.472 28.472 30.640 -2.168 17610 2768 1 3 . 1 1 156 156 GLN H H 150 7.833 7.833 7.610 0.223 17610 2769 1 3 . 1 1 157 157 GLY N N 151 116.380 116.380 114.236 2.144 17610 2770 1 3 . 1 1 157 157 GLY C C 151 173.581 173.581 174.849 -1.268 17610 2771 1 3 . 1 1 157 157 GLY CA C 151 46.945 46.945 46.579 0.366 17610 2772 1 3 . 1 1 157 157 GLY H H 151 8.936 8.936 9.025 -0.089 17610 2773 1 3 . 1 1 158 158 VAL N N 152 121.822 121.822 119.820 2.002 17610 2774 1 3 . 1 1 158 158 VAL HA H 152 3.221 3.221 3.574 -0.353 17610 2775 1 3 . 1 1 158 158 VAL C C 152 177.006 177.006 177.797 -0.791 17610 2776 1 3 . 1 1 158 158 VAL CA C 152 68.314 68.314 65.564 2.750 17610 2777 1 3 . 1 1 158 158 VAL CB C 152 31.473 31.473 31.672 -0.200 17610 2778 1 3 . 1 1 158 158 VAL H H 152 7.099 7.099 8.066 -0.967 17610 2779 1 3 . 1 1 159 159 GLU N N 153 118.087 118.087 117.847 0.240 17610 2780 1 3 . 1 1 159 159 GLU HA H 153 3.305 3.305 3.876 -0.571 17610 2781 1 3 . 1 1 159 159 GLU C C 153 177.163 177.163 178.456 -1.293 17610 2782 1 3 . 1 1 159 159 GLU CA C 153 60.407 60.407 59.766 0.641 17610 2783 1 3 . 1 1 159 159 GLU CB C 153 28.787 28.787 28.721 0.066 17610 2784 1 3 . 1 1 159 159 GLU H H 153 8.271 8.271 8.757 -0.486 17610 2785 1 3 . 1 1 160 160 ASP N N 154 117.624 117.624 120.197 -2.573 17610 2786 1 3 . 1 1 160 160 ASP HA H 154 4.205 4.205 4.634 -0.429 17610 2787 1 3 . 1 1 160 160 ASP C C 154 179.366 179.366 178.137 1.229 17610 2788 1 3 . 1 1 160 160 ASP CA C 154 57.288 57.288 57.105 0.183 17610 2789 1 3 . 1 1 160 160 ASP CB C 154 40.040 40.040 40.522 -0.482 17610 2790 1 3 . 1 1 160 160 ASP H H 154 8.145 8.145 8.222 -0.077 17610 2791 1 3 . 1 1 161 161 ALA N N 155 125.270 125.270 122.077 3.193 17610 2792 1 3 . 1 1 161 161 ALA HA H 155 3.749 3.749 4.001 -0.252 17610 2793 1 3 . 1 1 161 161 ALA C C 155 177.684 177.684 179.732 -2.048 17610 2794 1 3 . 1 1 161 161 ALA CA C 155 56.295 56.295 54.846 1.449 17610 2795 1 3 . 1 1 161 161 ALA CB C 155 17.397 17.397 18.291 -0.894 17610 2796 1 3 . 1 1 161 161 ALA H H 155 8.603 8.603 7.488 1.115 17610 2797 1 3 . 1 1 162 162 PHE N N 156 113.772 113.772 117.650 -3.878 17610 2798 1 3 . 1 1 162 162 PHE HA H 156 3.912 3.912 4.053 -0.141 17610 2799 1 3 . 1 1 162 162 PHE C C 156 177.975 177.975 177.928 0.047 17610 2800 1 3 . 1 1 162 162 PHE CA C 156 62.851 62.851 61.792 1.059 17610 2801 1 3 . 1 1 162 162 PHE CB C 156 39.472 39.472 38.346 1.126 17610 2802 1 3 . 1 1 162 162 PHE H H 156 7.236 7.236 7.323 -0.087 17610 2803 1 3 . 1 1 163 163 TYR N N 157 120.499 120.499 117.005 3.494 17610 2804 1 3 . 1 1 163 163 TYR HA H 157 4.355 4.355 4.098 0.257 17610 2805 1 3 . 1 1 163 163 TYR C C 157 179.097 179.097 178.431 0.666 17610 2806 1 3 . 1 1 163 163 TYR CA C 157 58.309 58.309 60.358 -2.049 17610 2807 1 3 . 1 1 163 163 TYR CB C 157 35.012 35.012 37.301 -2.289 17610 2808 1 3 . 1 1 163 163 TYR H H 157 9.573 9.573 8.508 1.065 17610 2809 1 3 . 1 1 164 164 THR N N 158 118.206 118.206 115.379 2.827 17610 2810 1 3 . 1 1 164 164 THR HA H 158 3.903 3.903 3.970 -0.067 17610 2811 1 3 . 1 1 164 164 THR C C 158 175.656 175.656 176.461 -0.805 17610 2812 1 3 . 1 1 164 164 THR CA C 158 67.484 67.484 66.171 1.312 17610 2813 1 3 . 1 1 164 164 THR CB C 158 67.819 67.819 68.199 -0.380 17610 2814 1 3 . 1 1 164 164 THR H H 158 8.538 8.538 7.937 0.601 17610 2815 1 3 . 1 1 165 165 LEU N N 159 122.864 122.864 121.515 1.349 17610 2816 1 3 . 1 1 165 165 LEU HA H 159 3.871 3.871 4.069 -0.198 17610 2817 1 3 . 1 1 165 165 LEU C C 159 177.513 177.513 177.951 -0.438 17610 2818 1 3 . 1 1 165 165 LEU CA C 159 57.991 57.991 58.432 -0.441 17610 2819 1 3 . 1 1 165 165 LEU CB C 159 40.181 40.181 40.949 -0.768 17610 2820 1 3 . 1 1 165 165 LEU H H 159 7.232 7.232 7.724 -0.492 17610 2821 1 3 . 1 1 166 166 VAL N N 160 120.322 120.322 118.420 1.902 17610 2822 1 3 . 1 1 166 166 VAL HA H 160 3.045 3.045 3.371 -0.326 17610 2823 1 3 . 1 1 166 166 VAL C C 160 177.474 177.474 178.603 -1.129 17610 2824 1 3 . 1 1 166 166 VAL CA C 160 67.389 67.389 65.877 1.512 17610 2825 1 3 . 1 1 166 166 VAL CB C 160 30.944 30.944 30.783 0.161 17610 2826 1 3 . 1 1 166 166 VAL H H 160 7.517 7.517 7.297 0.220 17610 2827 1 3 . 1 1 167 167 ARG N N 161 120.151 120.151 118.602 1.549 17610 2828 1 3 . 1 1 167 167 ARG HA H 161 3.772 3.772 3.974 -0.202 17610 2829 1 3 . 1 1 167 167 ARG C C 161 179.030 179.030 179.061 -0.031 17610 2830 1 3 . 1 1 167 167 ARG CA C 161 60.935 60.935 59.917 1.018 17610 2831 1 3 . 1 1 167 167 ARG CB C 161 29.586 29.586 29.967 -0.381 17610 2832 1 3 . 1 1 167 167 ARG H H 161 8.044 8.044 7.508 0.536 17610 2833 1 3 . 1 1 168 168 GLU N N 162 119.201 119.201 120.364 -1.163 17610 2834 1 3 . 1 1 168 168 GLU HA H 162 4.050 4.050 4.151 -0.101 17610 2835 1 3 . 1 1 168 168 GLU C C 162 179.805 179.805 179.004 0.801 17610 2836 1 3 . 1 1 168 168 GLU CA C 162 58.867 58.867 58.977 -0.111 17610 2837 1 3 . 1 1 168 168 GLU CB C 162 30.330 30.330 29.446 0.884 17610 2838 1 3 . 1 1 168 168 GLU H H 162 8.171 8.171 7.620 0.551 17610 2839 1 3 . 1 1 169 169 ILE N N 163 123.244 123.244 120.402 2.842 17610 2840 1 3 . 1 1 169 169 ILE HA H 163 3.583 3.583 3.661 -0.078 17610 2841 1 3 . 1 1 169 169 ILE C C 163 178.906 178.906 178.965 -0.059 17610 2842 1 3 . 1 1 169 169 ILE CA C 163 66.023 66.023 65.674 0.349 17610 2843 1 3 . 1 1 169 169 ILE CB C 163 38.204 38.204 37.685 0.519 17610 2844 1 3 . 1 1 169 169 ILE H H 163 8.174 8.174 8.147 0.027 17610 2845 1 3 . 1 1 170 170 ARG N N 164 119.842 119.842 119.127 0.715 17610 2846 1 3 . 1 1 170 170 ARG HA H 164 4.140 4.140 4.068 0.072 17610 2847 1 3 . 1 1 170 170 ARG C C 164 177.532 177.532 178.469 -0.937 17610 2848 1 3 . 1 1 170 170 ARG CA C 164 58.944 58.944 59.157 -0.213 17610 2849 1 3 . 1 1 170 170 ARG CB C 164 31.206 31.206 30.033 1.173 17610 2850 1 3 . 1 1 170 170 ARG H H 164 8.405 8.405 7.818 0.587 17610 2851 1 3 . 1 1 171 171 GLN N N 165 116.762 116.762 115.864 0.898 17610 2852 1 3 . 1 1 171 171 GLN HA H 165 4.343 4.343 4.164 0.179 17610 2853 1 3 . 1 1 171 171 GLN C C 165 175.218 175.218 176.583 -1.365 17610 2854 1 3 . 1 1 171 171 GLN CA C 165 56.100 56.100 57.587 -1.487 17610 2855 1 3 . 1 1 171 171 GLN CB C 165 29.236 29.236 29.312 -0.076 17610 2856 1 3 . 1 1 171 171 GLN H H 165 7.646 7.646 7.723 -0.077 17610 2857 1 4 . 1 1 8 8 THR N N 2 124.188 124.188 117.055 7.133 17610 2858 1 4 . 1 1 8 8 THR HA H 2 3.983 3.983 4.382 -0.399 17610 2859 1 4 . 1 1 8 8 THR C C 2 171.971 171.971 173.231 -1.260 17610 2860 1 4 . 1 1 8 8 THR CA C 2 63.551 63.551 61.779 1.772 17610 2861 1 4 . 1 1 8 8 THR CB C 2 69.619 69.619 70.353 -0.734 17610 2862 1 4 . 1 1 8 8 THR H H 2 8.667 8.667 8.398 0.269 17610 2863 1 4 . 1 1 9 9 GLU N N 3 127.895 127.895 126.039 1.856 17610 2864 1 4 . 1 1 9 9 GLU HA H 3 5.280 5.280 4.472 0.808 17610 2865 1 4 . 1 1 9 9 GLU C C 3 175.089 175.089 175.192 -0.103 17610 2866 1 4 . 1 1 9 9 GLU CA C 3 53.636 53.636 55.297 -1.661 17610 2867 1 4 . 1 1 9 9 GLU CB C 3 32.029 32.029 30.798 1.231 17610 2868 1 4 . 1 1 9 9 GLU H H 3 8.316 8.316 8.470 -0.154 17610 2869 1 4 . 1 1 10 10 TYR N N 4 123.375 123.375 126.248 -2.873 17610 2870 1 4 . 1 1 10 10 TYR HA H 4 5.131 5.131 4.616 0.515 17610 2871 1 4 . 1 1 10 10 TYR C C 4 174.621 174.621 175.596 -0.975 17610 2872 1 4 . 1 1 10 10 TYR CA C 4 56.649 56.649 57.064 -0.415 17610 2873 1 4 . 1 1 10 10 TYR CB C 4 41.323 41.323 39.974 1.349 17610 2874 1 4 . 1 1 10 10 TYR H H 4 8.739 8.739 7.912 0.827 17610 2875 1 4 . 1 1 11 11 LYS N N 5 125.147 125.147 125.997 -0.850 17610 2876 1 4 . 1 1 11 11 LYS HA H 5 5.168 5.168 4.510 0.658 17610 2877 1 4 . 1 1 11 11 LYS C C 5 175.291 175.291 174.685 0.606 17610 2878 1 4 . 1 1 11 11 LYS CA C 5 55.145 55.145 55.275 -0.130 17610 2879 1 4 . 1 1 11 11 LYS CB C 5 32.225 32.225 32.479 -0.254 17610 2880 1 4 . 1 1 11 11 LYS H H 5 9.142 9.142 8.888 0.254 17610 2881 1 4 . 1 1 12 12 LEU N N 6 127.306 127.306 126.513 0.793 17610 2882 1 4 . 1 1 12 12 LEU HA H 6 4.970 4.970 4.292 0.678 17610 2883 1 4 . 1 1 12 12 LEU C C 6 175.298 175.298 174.716 0.582 17610 2884 1 4 . 1 1 12 12 LEU CA C 6 52.743 52.743 54.746 -2.003 17610 2885 1 4 . 1 1 12 12 LEU CB C 6 43.063 43.063 43.241 -0.178 17610 2886 1 4 . 1 1 12 12 LEU H H 6 9.150 9.150 8.853 0.297 17610 2887 1 4 . 1 1 13 13 VAL N N 7 123.170 123.170 126.815 -3.645 17610 2888 1 4 . 1 1 13 13 VAL HA H 7 4.827 4.827 4.301 0.526 17610 2889 1 4 . 1 1 13 13 VAL C C 7 174.230 174.230 174.870 -0.640 17610 2890 1 4 . 1 1 13 13 VAL CB C 7 34.048 34.048 31.780 2.268 17610 2891 1 4 . 1 1 13 13 VAL H H 7 8.113 8.113 7.896 0.217 17610 2892 1 4 . 1 1 14 14 VAL N N 8 129.854 129.854 128.542 1.312 17610 2893 1 4 . 1 1 14 14 VAL HA H 8 4.669 4.669 4.315 0.354 17610 2894 1 4 . 1 1 14 14 VAL C C 8 175.377 175.377 175.742 -0.365 17610 2895 1 4 . 1 1 14 14 VAL CA C 8 61.935 61.935 61.694 0.241 17610 2896 1 4 . 1 1 14 14 VAL CB C 8 32.496 32.496 32.373 0.123 17610 2897 1 4 . 1 1 14 14 VAL H H 8 8.707 8.707 8.152 0.555 17610 2898 1 4 . 1 1 15 15 VAL N N 9 121.835 121.835 118.030 3.805 17610 2899 1 4 . 1 1 15 15 VAL HA H 9 4.616 4.616 4.581 0.035 17610 2900 1 4 . 1 1 15 15 VAL C C 9 172.824 172.824 174.897 -2.073 17610 2901 1 4 . 1 1 15 15 VAL CA C 9 58.963 58.963 59.020 -0.057 17610 2902 1 4 . 1 1 15 15 VAL CB C 9 35.405 35.405 33.450 1.954 17610 2903 1 4 . 1 1 15 15 VAL H H 9 9.107 9.107 7.881 1.226 17610 2904 1 4 . 1 1 16 16 GLY N N 10 109.233 109.233 106.716 2.517 17610 2905 1 4 . 1 1 16 16 GLY C C 10 172.504 172.504 172.848 -0.344 17610 2906 1 4 . 1 1 16 16 GLY CA C 10 43.848 43.848 44.773 -0.925 17610 2907 1 4 . 1 1 16 16 GLY H H 10 7.394 7.394 8.222 -0.828 17610 2908 1 4 . 1 1 17 17 ALA N N 11 123.120 123.120 123.178 -0.058 17610 2909 1 4 . 1 1 17 17 ALA HA H 11 4.547 4.547 5.132 -0.585 17610 2910 1 4 . 1 1 17 17 ALA C C 11 177.371 177.371 176.783 0.588 17610 2911 1 4 . 1 1 17 17 ALA CA C 11 52.236 52.236 51.521 0.715 17610 2912 1 4 . 1 1 17 17 ALA CB C 11 19.807 19.807 20.725 -0.918 17610 2913 1 4 . 1 1 17 17 ALA H H 11 9.054 9.054 8.617 0.437 17610 2914 1 4 . 1 1 18 18 GLY N N 12 107.391 107.391 106.212 1.179 17610 2915 1 4 . 1 1 18 18 GLY C C 12 176.858 176.858 175.036 1.822 17610 2916 1 4 . 1 1 18 18 GLY CA C 12 46.465 46.465 44.736 1.729 17610 2917 1 4 . 1 1 18 18 GLY H H 12 8.694 8.694 7.979 0.715 17610 2918 1 4 . 1 1 19 19 GLY N N 13 114.596 114.596 109.321 5.275 17610 2919 1 4 . 1 1 19 19 GLY C C 13 174.661 174.661 174.191 0.470 17610 2920 1 4 . 1 1 19 19 GLY CA C 13 46.545 46.545 45.216 1.329 17610 2921 1 4 . 1 1 19 19 GLY H H 13 8.916 8.916 8.419 0.497 17610 2922 1 4 . 1 1 20 20 VAL N N 14 113.376 113.376 115.679 -2.303 17610 2923 1 4 . 1 1 20 20 VAL HA H 14 4.008 4.008 4.370 -0.362 17610 2924 1 4 . 1 1 20 20 VAL C C 14 174.469 174.469 174.948 -0.479 17610 2925 1 4 . 1 1 20 20 VAL CA C 14 62.825 62.825 60.541 2.284 17610 2926 1 4 . 1 1 20 20 VAL CB C 14 31.740 31.740 32.867 -1.127 17610 2927 1 4 . 1 1 20 20 VAL H H 14 7.427 7.427 8.055 -0.628 17610 2928 1 4 . 1 1 21 21 GLY N N 15 109.392 109.392 108.041 1.351 17610 2929 1 4 . 1 1 21 21 GLY C C 15 173.254 173.254 175.511 -2.257 17610 2930 1 4 . 1 1 21 21 GLY CA C 15 45.708 45.708 45.133 0.576 17610 2931 1 4 . 1 1 21 21 GLY H H 15 8.388 8.388 8.262 0.126 17610 2932 1 4 . 1 1 22 22 LYS N N 16 124.844 124.844 121.629 3.215 17610 2933 1 4 . 1 1 22 22 LYS HA H 16 3.537 3.537 3.969 -0.432 17610 2934 1 4 . 1 1 22 22 LYS C C 16 179.106 179.106 177.927 1.179 17610 2935 1 4 . 1 1 22 22 LYS CA C 16 60.990 60.990 59.373 1.617 17610 2936 1 4 . 1 1 22 22 LYS CB C 16 29.967 29.967 32.242 -2.275 17610 2937 1 4 . 1 1 22 22 LYS H H 16 9.097 9.097 8.482 0.615 17610 2938 1 4 . 1 1 23 23 SER N N 17 121.228 121.228 114.476 6.752 17610 2939 1 4 . 1 1 23 23 SER HA H 17 4.292 4.292 4.501 -0.209 17610 2940 1 4 . 1 1 23 23 SER C C 17 175.697 175.697 176.371 -0.674 17610 2941 1 4 . 1 1 23 23 SER CA C 17 61.346 61.346 61.311 0.035 17610 2942 1 4 . 1 1 23 23 SER CB C 17 61.337 61.337 62.438 -1.101 17610 2943 1 4 . 1 1 23 23 SER H H 17 9.546 9.546 8.777 0.769 17610 2944 1 4 . 1 1 24 24 ALA N N 18 126.557 126.557 124.920 1.637 17610 2945 1 4 . 1 1 24 24 ALA HA H 18 3.946 3.946 3.941 0.005 17610 2946 1 4 . 1 1 24 24 ALA C C 18 181.834 181.834 179.395 2.439 17610 2947 1 4 . 1 1 24 24 ALA CA C 18 54.587 54.587 54.317 0.270 17610 2948 1 4 . 1 1 24 24 ALA CB C 18 18.539 18.539 18.296 0.243 17610 2949 1 4 . 1 1 24 24 ALA H H 18 9.189 9.189 7.941 1.248 17610 2950 1 4 . 1 1 25 25 LEU N N 19 121.712 121.712 118.817 2.895 17610 2951 1 4 . 1 1 25 25 LEU HA H 19 3.878 3.878 3.911 -0.033 17610 2952 1 4 . 1 1 25 25 LEU C C 19 177.485 177.485 179.184 -1.699 17610 2953 1 4 . 1 1 25 25 LEU CA C 19 58.729 58.729 58.243 0.486 17610 2954 1 4 . 1 1 25 25 LEU CB C 19 43.227 43.227 42.050 1.177 17610 2955 1 4 . 1 1 25 25 LEU H H 19 8.817 8.817 8.386 0.431 17610 2956 1 4 . 1 1 26 26 THR N N 20 118.148 118.148 116.145 2.003 17610 2957 1 4 . 1 1 26 26 THR HA H 20 3.401 3.401 3.745 -0.344 17610 2958 1 4 . 1 1 26 26 THR C C 20 175.714 175.714 176.722 -1.008 17610 2959 1 4 . 1 1 26 26 THR CA C 20 68.122 68.122 67.097 1.025 17610 2960 1 4 . 1 1 26 26 THR CB C 20 68.196 68.196 68.747 -0.551 17610 2961 1 4 . 1 1 26 26 THR H H 20 7.517 7.517 7.646 -0.129 17610 2962 1 4 . 1 1 27 27 ILE N N 21 121.987 121.987 120.997 0.990 17610 2963 1 4 . 1 1 27 27 ILE HA H 21 3.302 3.302 3.550 -0.248 17610 2964 1 4 . 1 1 27 27 ILE C C 21 175.380 175.380 177.829 -2.449 17610 2965 1 4 . 1 1 27 27 ILE CA C 21 64.278 64.278 64.016 0.262 17610 2966 1 4 . 1 1 27 27 ILE CB C 21 36.758 36.758 37.409 -0.651 17610 2967 1 4 . 1 1 27 27 ILE H H 21 8.950 8.950 7.476 1.474 17610 2968 1 4 . 1 1 28 28 GLN N N 22 121.898 121.898 119.369 2.529 17610 2969 1 4 . 1 1 28 28 GLN HA H 22 4.334 4.334 4.134 0.200 17610 2970 1 4 . 1 1 28 28 GLN C C 22 179.058 179.058 178.838 0.220 17610 2971 1 4 . 1 1 28 28 GLN CA C 22 58.796 58.796 58.598 0.198 17610 2972 1 4 . 1 1 28 28 GLN CB C 22 29.752 29.752 28.462 1.290 17610 2973 1 4 . 1 1 28 28 GLN H H 22 8.094 8.094 7.814 0.280 17610 2974 1 4 . 1 1 29 29 LEU N N 23 121.426 121.426 119.067 2.359 17610 2975 1 4 . 1 1 29 29 LEU HA H 23 3.765 3.765 4.087 -0.322 17610 2976 1 4 . 1 1 29 29 LEU C C 23 178.155 178.155 177.522 0.633 17610 2977 1 4 . 1 1 29 29 LEU CA C 23 58.304 58.304 56.602 1.702 17610 2978 1 4 . 1 1 29 29 LEU CB C 23 40.637 40.637 41.947 -1.310 17610 2979 1 4 . 1 1 29 29 LEU H H 23 7.746 7.746 7.772 -0.026 17610 2980 1 4 . 1 1 30 30 ILE N N 24 115.325 115.325 117.723 -2.398 17610 2981 1 4 . 1 1 30 30 ILE HA H 24 3.697 3.697 3.957 -0.260 17610 2982 1 4 . 1 1 30 30 ILE C C 24 177.421 177.421 177.774 -0.353 17610 2983 1 4 . 1 1 30 30 ILE CA C 24 62.050 62.050 62.913 -0.863 17610 2984 1 4 . 1 1 30 30 ILE CB C 24 37.183 37.183 37.500 -0.317 17610 2985 1 4 . 1 1 30 30 ILE H H 24 8.115 8.115 6.981 1.134 17610 2986 1 4 . 1 1 31 31 GLN N N 25 117.213 117.213 117.514 -0.301 17610 2987 1 4 . 1 1 31 31 GLN HA H 25 4.539 4.539 4.134 0.405 17610 2988 1 4 . 1 1 31 31 GLN C C 25 176.149 176.149 175.770 0.379 17610 2989 1 4 . 1 1 31 31 GLN CA C 25 55.234 55.234 56.656 -1.422 17610 2990 1 4 . 1 1 31 31 GLN CB C 25 30.184 30.184 29.880 0.304 17610 2991 1 4 . 1 1 31 31 GLN H H 25 8.887 8.887 8.087 0.800 17610 2992 1 4 . 1 1 32 32 ASN N N 26 117.820 117.820 116.303 1.517 17610 2993 1 4 . 1 1 32 32 ASN HA H 26 4.807 4.807 4.466 0.341 17610 2994 1 4 . 1 1 32 32 ASN C C 26 174.051 174.051 173.601 0.450 17610 2995 1 4 . 1 1 32 32 ASN CA C 26 54.310 54.310 54.357 -0.047 17610 2996 1 4 . 1 1 32 32 ASN CB C 26 37.184 37.184 36.727 0.457 17610 2997 1 4 . 1 1 32 32 ASN H H 26 7.982 7.982 8.072 -0.090 17610 2998 1 4 . 1 1 33 33 HIS N N 27 112.968 112.968 116.233 -3.265 17610 2999 1 4 . 1 1 33 33 HIS HA H 27 4.889 4.889 4.591 0.298 17610 3000 1 4 . 1 1 33 33 HIS C C 27 172.514 172.514 172.860 -0.346 17610 3001 1 4 . 1 1 33 33 HIS CA C 27 54.314 54.314 54.974 -0.660 17610 3002 1 4 . 1 1 33 33 HIS CB C 27 32.616 32.616 31.428 1.188 17610 3003 1 4 . 1 1 33 33 HIS H H 27 6.804 6.804 7.705 -0.901 17610 3004 1 4 . 1 1 34 34 PHE N N 28 123.605 123.605 122.504 1.101 17610 3005 1 4 . 1 1 34 34 PHE HA H 28 4.914 4.914 4.241 0.673 17610 3006 1 4 . 1 1 34 34 PHE C C 28 174.641 174.641 174.752 -0.111 17610 3007 1 4 . 1 1 34 34 PHE CA C 28 55.754 55.754 57.779 -2.025 17610 3008 1 4 . 1 1 34 34 PHE CB C 28 40.573 40.573 38.627 1.946 17610 3009 1 4 . 1 1 34 34 PHE H H 28 8.462 8.462 8.462 -0.000 17610 3010 1 4 . 1 1 35 35 VAL N N 29 126.695 126.695 126.588 0.107 17610 3011 1 4 . 1 1 35 35 VAL HA H 29 3.911 3.911 3.686 0.225 17610 3012 1 4 . 1 1 35 35 VAL C C 29 173.764 173.764 175.791 -2.027 17610 3013 1 4 . 1 1 35 35 VAL CA C 29 61.275 61.275 63.843 -2.568 17610 3014 1 4 . 1 1 35 35 VAL CB C 29 33.154 33.154 32.728 0.426 17610 3015 1 4 . 1 1 35 35 VAL H H 29 7.537 7.537 8.180 -0.643 17610 3016 1 4 . 1 1 36 36 ASP N N 30 123.271 123.271 123.836 -0.565 17610 3017 1 4 . 1 1 36 36 ASP HA H 30 4.185 4.185 4.809 -0.624 17610 3018 1 4 . 1 1 36 36 ASP C C 30 176.129 176.129 176.168 -0.039 17610 3019 1 4 . 1 1 36 36 ASP CA C 30 54.662 54.662 55.510 -0.848 17610 3020 1 4 . 1 1 36 36 ASP CB C 30 41.323 41.323 41.137 0.186 17610 3021 1 4 . 1 1 36 36 ASP H H 30 7.618 7.618 8.657 -1.039 17610 3022 1 4 . 1 1 37 37 GLU N N 31 119.730 119.730 121.917 -2.187 17610 3023 1 4 . 1 1 37 37 GLU HA H 31 4.262 4.262 4.597 -0.335 17610 3024 1 4 . 1 1 37 37 GLU C C 31 174.901 174.901 176.069 -1.168 17610 3025 1 4 . 1 1 37 37 GLU CA C 31 56.137 56.137 55.769 0.368 17610 3026 1 4 . 1 1 37 37 GLU CB C 31 30.459 30.459 28.061 2.397 17610 3027 1 4 . 1 1 37 37 GLU H H 31 7.857 7.857 8.843 -0.986 17610 3028 1 4 . 1 1 38 38 TYR N N 32 123.296 123.296 117.920 5.376 17610 3029 1 4 . 1 1 38 38 TYR HA H 32 4.486 4.486 4.825 -0.339 17610 3030 1 4 . 1 1 38 38 TYR C C 32 174.370 174.370 174.352 0.018 17610 3031 1 4 . 1 1 38 38 TYR CA C 32 57.511 57.511 56.259 1.252 17610 3032 1 4 . 1 1 38 38 TYR CB C 32 39.199 39.199 39.676 -0.477 17610 3033 1 4 . 1 1 38 38 TYR H H 32 8.244 8.244 7.819 0.425 17610 3034 1 4 . 1 1 39 39 ASP N N 33 127.452 127.452 120.506 6.946 17610 3035 1 4 . 1 1 39 39 ASP HA H 33 4.891 4.891 4.763 0.128 17610 3036 1 4 . 1 1 39 39 ASP CA C 33 51.207 51.207 51.541 -0.334 17610 3037 1 4 . 1 1 39 39 ASP CB C 33 41.837 41.837 42.377 -0.540 17610 3038 1 4 . 1 1 39 39 ASP H H 33 8.158 8.158 8.358 -0.200 17610 3039 1 4 . 1 1 40 40 PRO HA H 34 4.405 4.405 4.174 0.231 17610 3040 1 4 . 1 1 40 40 PRO C C 34 176.938 176.938 175.921 1.017 17610 3041 1 4 . 1 1 40 40 PRO CA C 34 63.068 63.068 63.886 -0.818 17610 3042 1 4 . 1 1 40 40 PRO CB C 34 32.089 32.089 32.414 -0.325 17610 3043 1 4 . 1 1 41 41 SER N N 35 117.575 117.575 114.142 3.433 17610 3044 1 4 . 1 1 41 41 SER HA H 35 4.433 4.433 4.781 -0.348 17610 3045 1 4 . 1 1 41 41 SER C C 35 174.777 174.777 173.423 1.354 17610 3046 1 4 . 1 1 41 41 SER CA C 35 58.346 58.346 57.429 0.917 17610 3047 1 4 . 1 1 41 41 SER CB C 35 63.704 63.704 63.716 -0.012 17610 3048 1 4 . 1 1 41 41 SER H H 35 8.495 8.495 7.975 0.520 17610 3049 1 4 . 1 1 42 42 ILE N N 36 123.018 123.018 121.351 1.667 17610 3050 1 4 . 1 1 42 42 ILE HA H 36 4.219 4.219 4.459 -0.240 17610 3051 1 4 . 1 1 42 42 ILE C C 36 175.966 175.966 174.189 1.777 17610 3052 1 4 . 1 1 42 42 ILE CA C 36 61.665 61.665 59.472 2.193 17610 3053 1 4 . 1 1 42 42 ILE CB C 36 38.745 38.745 40.959 -2.214 17610 3054 1 4 . 1 1 42 42 ILE H H 36 7.919 7.919 7.784 0.135 17610 3055 1 4 . 1 1 43 43 GLU N N 37 124.699 124.699 119.387 5.312 17610 3056 1 4 . 1 1 43 43 GLU HA H 37 4.381 4.381 4.372 0.009 17610 3057 1 4 . 1 1 43 43 GLU C C 37 179.069 179.069 175.949 3.120 17610 3058 1 4 . 1 1 43 43 GLU CA C 37 56.223 56.223 55.917 0.306 17610 3059 1 4 . 1 1 43 43 GLU CB C 37 30.616 30.616 30.197 0.419 17610 3060 1 4 . 1 1 43 43 GLU H H 37 8.201 8.201 8.544 -0.343 17610 3061 1 4 . 1 1 44 44 ASP N N 38 121.902 121.902 121.180 0.722 17610 3062 1 4 . 1 1 44 44 ASP HA H 38 4.622 4.622 4.522 0.100 17610 3063 1 4 . 1 1 44 44 ASP C C 38 174.634 174.634 175.304 -0.670 17610 3064 1 4 . 1 1 44 44 ASP CA C 38 54.095 54.095 53.709 0.386 17610 3065 1 4 . 1 1 44 44 ASP CB C 38 41.837 41.837 39.224 2.613 17610 3066 1 4 . 1 1 44 44 ASP H H 38 8.094 8.094 8.190 -0.096 17610 3067 1 4 . 1 1 45 45 SER N N 39 114.779 114.779 114.672 0.107 17610 3068 1 4 . 1 1 45 45 SER HA H 39 4.923 4.923 3.771 1.152 17610 3069 1 4 . 1 1 45 45 SER C C 39 173.339 173.339 173.666 -0.327 17610 3070 1 4 . 1 1 45 45 SER CA C 39 57.023 57.023 59.268 -2.245 17610 3071 1 4 . 1 1 45 45 SER CB C 39 64.751 64.751 63.749 1.002 17610 3072 1 4 . 1 1 45 45 SER H H 39 7.792 7.792 7.517 0.275 17610 3073 1 4 . 1 1 46 46 TYR N N 40 124.235 124.235 119.458 4.777 17610 3074 1 4 . 1 1 46 46 TYR HA H 40 4.662 4.662 4.703 -0.041 17610 3075 1 4 . 1 1 46 46 TYR C C 40 173.910 173.910 174.220 -0.310 17610 3076 1 4 . 1 1 46 46 TYR CA C 40 56.944 56.944 56.147 0.797 17610 3077 1 4 . 1 1 46 46 TYR CB C 40 41.323 41.323 41.824 -0.501 17610 3078 1 4 . 1 1 46 46 TYR H H 40 8.976 8.976 7.684 1.292 17610 3079 1 4 . 1 1 47 47 ARG N N 41 121.906 121.906 119.017 2.889 17610 3080 1 4 . 1 1 47 47 ARG HA H 41 5.802 5.802 5.085 0.717 17610 3081 1 4 . 1 1 47 47 ARG C C 41 176.150 176.150 174.778 1.372 17610 3082 1 4 . 1 1 47 47 ARG CA C 41 54.129 54.129 54.767 -0.638 17610 3083 1 4 . 1 1 47 47 ARG CB C 41 34.105 34.105 32.501 1.604 17610 3084 1 4 . 1 1 47 47 ARG H H 41 8.238 8.238 8.529 -0.291 17610 3085 1 4 . 1 1 48 48 LYS N N 42 123.924 123.924 123.993 -0.069 17610 3086 1 4 . 1 1 48 48 LYS HA H 42 4.508 4.508 4.527 -0.019 17610 3087 1 4 . 1 1 48 48 LYS C C 42 173.710 173.710 175.052 -1.342 17610 3088 1 4 . 1 1 48 48 LYS CA C 42 55.651 55.651 54.596 1.055 17610 3089 1 4 . 1 1 48 48 LYS CB C 42 38.139 38.139 35.537 2.602 17610 3090 1 4 . 1 1 48 48 LYS H H 42 8.705 8.705 8.413 0.292 17610 3091 1 4 . 1 1 49 49 GLN N N 43 130.301 130.301 125.535 4.766 17610 3092 1 4 . 1 1 49 49 GLN HA H 43 5.230 5.230 4.444 0.786 17610 3093 1 4 . 1 1 49 49 GLN C C 43 175.254 175.254 174.930 0.324 17610 3094 1 4 . 1 1 49 49 GLN CA C 43 55.496 55.496 55.628 -0.132 17610 3095 1 4 . 1 1 49 49 GLN CB C 43 29.892 29.892 29.605 0.287 17610 3096 1 4 . 1 1 49 49 GLN H H 43 8.897 8.897 8.593 0.304 17610 3097 1 4 . 1 1 50 50 VAL N N 44 122.354 122.354 121.820 0.534 17610 3098 1 4 . 1 1 50 50 VAL HA H 44 4.772 4.772 4.703 0.069 17610 3099 1 4 . 1 1 50 50 VAL C C 44 173.116 173.116 173.430 -0.314 17610 3100 1 4 . 1 1 50 50 VAL CA C 44 59.238 59.238 59.026 0.212 17610 3101 1 4 . 1 1 50 50 VAL CB C 44 35.888 35.888 35.581 0.307 17610 3102 1 4 . 1 1 50 50 VAL H H 44 9.104 9.104 8.912 0.192 17610 3103 1 4 . 1 1 51 51 VAL N N 45 122.385 122.385 121.512 0.873 17610 3104 1 4 . 1 1 51 51 VAL HA H 45 4.462 4.462 4.581 -0.119 17610 3105 1 4 . 1 1 51 51 VAL C C 45 175.450 175.450 175.432 0.018 17610 3106 1 4 . 1 1 51 51 VAL CA C 45 61.832 61.832 60.209 1.623 17610 3107 1 4 . 1 1 51 51 VAL CB C 45 32.228 32.228 32.219 0.009 17610 3108 1 4 . 1 1 51 51 VAL H H 45 8.100 8.100 8.536 -0.436 17610 3109 1 4 . 1 1 52 52 ILE N N 46 126.953 126.953 131.295 -4.342 17610 3110 1 4 . 1 1 52 52 ILE HA H 46 3.995 3.995 4.078 -0.083 17610 3111 1 4 . 1 1 52 52 ILE C C 46 176.424 176.424 176.256 0.168 17610 3112 1 4 . 1 1 52 52 ILE CA C 46 60.343 60.343 60.447 -0.104 17610 3113 1 4 . 1 1 52 52 ILE CB C 46 40.096 40.096 36.589 3.507 17610 3114 1 4 . 1 1 52 52 ILE H H 46 8.118 8.118 8.390 -0.272 17610 3115 1 4 . 1 1 53 53 ASP N N 47 132.206 132.206 129.574 2.632 17610 3116 1 4 . 1 1 53 53 ASP HA H 47 4.267 4.267 4.323 -0.056 17610 3117 1 4 . 1 1 53 53 ASP C C 47 176.121 176.121 176.454 -0.333 17610 3118 1 4 . 1 1 53 53 ASP CA C 47 55.267 55.267 55.016 0.251 17610 3119 1 4 . 1 1 53 53 ASP CB C 47 39.203 39.203 40.106 -0.903 17610 3120 1 4 . 1 1 53 53 ASP H H 47 9.605 9.605 9.310 0.295 17610 3121 1 4 . 1 1 54 54 GLY N N 48 104.275 104.275 104.871 -0.596 17610 3122 1 4 . 1 1 54 54 GLY C C 48 173.219 173.219 173.604 -0.385 17610 3123 1 4 . 1 1 54 54 GLY CA C 48 45.318 45.318 45.057 0.261 17610 3124 1 4 . 1 1 54 54 GLY H H 48 8.332 8.332 8.210 0.122 17610 3125 1 4 . 1 1 55 55 GLU N N 49 123.384 123.384 121.548 1.836 17610 3126 1 4 . 1 1 55 55 GLU HA H 49 4.691 4.691 4.590 0.101 17610 3127 1 4 . 1 1 55 55 GLU C C 49 175.614 175.614 175.785 -0.171 17610 3128 1 4 . 1 1 55 55 GLU CA C 49 54.719 54.719 53.953 0.766 17610 3129 1 4 . 1 1 55 55 GLU CB C 49 31.803 31.803 30.633 1.170 17610 3130 1 4 . 1 1 55 55 GLU H H 49 7.684 7.684 7.929 -0.245 17610 3131 1 4 . 1 1 56 56 THR N N 50 127.153 127.153 123.925 3.228 17610 3132 1 4 . 1 1 56 56 THR HA H 50 4.727 4.727 4.332 0.395 17610 3133 1 4 . 1 1 56 56 THR C C 50 173.530 173.530 174.109 -0.579 17610 3134 1 4 . 1 1 56 56 THR CA C 50 63.521 63.521 64.592 -1.071 17610 3135 1 4 . 1 1 56 56 THR CB C 50 68.478 68.478 68.838 -0.360 17610 3136 1 4 . 1 1 56 56 THR H H 50 8.951 8.951 8.691 0.260 17610 3137 1 4 . 1 1 57 57 CYS N N 51 124.835 124.835 124.169 0.666 17610 3138 1 4 . 1 1 57 57 CYS HA H 51 5.086 5.086 4.633 0.453 17610 3139 1 4 . 1 1 57 57 CYS C C 51 170.937 170.937 172.799 -1.862 17610 3140 1 4 . 1 1 57 57 CYS CA C 51 56.423 56.423 58.179 -1.756 17610 3141 1 4 . 1 1 57 57 CYS CB C 51 31.549 31.549 31.940 -0.391 17610 3142 1 4 . 1 1 57 57 CYS H H 51 9.424 9.424 9.186 0.238 17610 3143 1 4 . 1 1 58 58 LEU N N 52 123.111 123.111 122.355 0.756 17610 3144 1 4 . 1 1 58 58 LEU HA H 52 4.943 4.943 4.626 0.317 17610 3145 1 4 . 1 1 58 58 LEU C C 52 175.044 175.044 175.920 -0.876 17610 3146 1 4 . 1 1 58 58 LEU CA C 52 53.372 53.372 54.489 -1.117 17610 3147 1 4 . 1 1 58 58 LEU CB C 52 44.304 44.304 43.265 1.039 17610 3148 1 4 . 1 1 58 58 LEU H H 52 8.803 8.803 8.905 -0.102 17610 3149 1 4 . 1 1 59 59 LEU N N 53 124.540 124.540 123.836 0.704 17610 3150 1 4 . 1 1 59 59 LEU HA H 53 4.888 4.888 4.641 0.247 17610 3151 1 4 . 1 1 59 59 LEU C C 53 174.358 174.358 174.841 -0.483 17610 3152 1 4 . 1 1 59 59 LEU CA C 53 53.490 53.490 53.962 -0.472 17610 3153 1 4 . 1 1 59 59 LEU CB C 53 42.195 42.195 42.740 -0.545 17610 3154 1 4 . 1 1 59 59 LEU H H 53 9.054 9.054 9.199 -0.145 17610 3155 1 4 . 1 1 60 60 ASP N N 54 126.666 126.666 125.351 1.315 17610 3156 1 4 . 1 1 60 60 ASP HA H 54 5.225 5.225 4.875 0.350 17610 3157 1 4 . 1 1 60 60 ASP C C 54 174.846 174.846 175.159 -0.313 17610 3158 1 4 . 1 1 60 60 ASP CA C 54 53.040 53.040 53.247 -0.207 17610 3159 1 4 . 1 1 60 60 ASP CB C 54 42.622 42.622 41.022 1.600 17610 3160 1 4 . 1 1 60 60 ASP H H 54 8.739 8.739 8.594 0.145 17610 3161 1 4 . 1 1 61 61 ILE N N 55 125.100 125.100 125.376 -0.276 17610 3162 1 4 . 1 1 61 61 ILE HA H 55 4.690 4.690 3.996 0.694 17610 3163 1 4 . 1 1 61 61 ILE C C 55 174.745 174.745 174.949 -0.204 17610 3164 1 4 . 1 1 61 61 ILE CA C 55 60.331 60.331 59.466 0.865 17610 3165 1 4 . 1 1 61 61 ILE CB C 55 39.682 39.682 36.461 3.221 17610 3166 1 4 . 1 1 61 61 ILE H H 55 9.115 9.115 7.908 1.207 17610 3167 1 4 . 1 1 62 62 LEU N N 56 131.208 131.208 128.828 2.380 17610 3168 1 4 . 1 1 62 62 LEU HA H 56 4.667 4.667 4.256 0.411 17610 3169 1 4 . 1 1 62 62 LEU C C 56 174.063 174.063 176.079 -2.016 17610 3170 1 4 . 1 1 62 62 LEU CA C 56 53.795 53.795 55.294 -1.499 17610 3171 1 4 . 1 1 62 62 LEU CB C 56 42.256 42.256 42.985 -0.729 17610 3172 1 4 . 1 1 62 62 LEU H H 56 9.014 9.014 8.542 0.472 17610 3173 1 4 . 1 1 63 63 ASP N N 57 128.415 128.415 126.622 1.793 17610 3174 1 4 . 1 1 63 63 ASP HA H 57 4.783 4.783 4.834 -0.051 17610 3175 1 4 . 1 1 63 63 ASP C C 57 176.341 176.341 175.768 0.573 17610 3176 1 4 . 1 1 63 63 ASP CA C 57 52.988 52.988 52.251 0.737 17610 3177 1 4 . 1 1 63 63 ASP CB C 57 41.837 41.837 40.676 1.161 17610 3178 1 4 . 1 1 63 63 ASP H H 57 8.657 8.657 8.433 0.224 17610 3179 1 4 . 1 1 64 64 THR N N 58 114.950 114.950 114.386 0.564 17610 3180 1 4 . 1 1 64 64 THR HA H 58 4.425 4.425 4.227 0.198 17610 3181 1 4 . 1 1 64 64 THR C C 58 172.734 172.734 174.024 -1.290 17610 3182 1 4 . 1 1 64 64 THR CA C 58 61.488 61.488 61.213 0.275 17610 3183 1 4 . 1 1 64 64 THR CB C 58 71.398 71.398 69.880 1.518 17610 3184 1 4 . 1 1 64 64 THR H H 58 7.369 7.369 7.539 -0.170 17610 3185 1 4 . 1 1 65 65 ALA N N 59 123.940 123.940 120.481 3.459 17610 3186 1 4 . 1 1 65 65 ALA HA H 59 4.764 4.764 4.775 -0.011 17610 3187 1 4 . 1 1 65 65 ALA C C 59 179.480 179.480 178.696 0.784 17610 3188 1 4 . 1 1 65 65 ALA CA C 59 51.422 51.422 51.261 0.161 17610 3189 1 4 . 1 1 65 65 ALA CB C 59 20.796 20.796 21.092 -0.296 17610 3190 1 4 . 1 1 65 65 ALA H H 59 8.329 8.329 8.063 0.266 17610 3191 1 4 . 1 1 66 66 GLY N N 60 112.527 112.527 107.863 4.664 17610 3192 1 4 . 1 1 66 66 GLY C C 60 174.938 174.938 173.569 1.369 17610 3193 1 4 . 1 1 66 66 GLY CA C 60 46.057 46.057 46.832 -0.775 17610 3194 1 4 . 1 1 66 66 GLY H H 60 9.397 9.397 8.787 0.610 17610 3195 1 4 . 1 1 67 67 GLN N N 61 120.877 120.877 118.577 2.300 17610 3196 1 4 . 1 1 67 67 GLN HA H 61 4.422 4.422 4.638 -0.216 17610 3197 1 4 . 1 1 67 67 GLN C C 61 176.298 176.298 174.762 1.536 17610 3198 1 4 . 1 1 67 67 GLN CA C 61 56.355 56.355 55.682 0.673 17610 3199 1 4 . 1 1 67 67 GLN CB C 61 29.438 29.438 28.967 0.471 17610 3200 1 4 . 1 1 67 67 GLN H H 61 8.237 8.237 8.178 0.059 17610 3201 1 4 . 1 1 68 68 GLU N N 62 123.751 123.751 125.505 -1.754 17610 3202 1 4 . 1 1 68 68 GLU HA H 62 4.208 4.208 4.389 -0.181 17610 3203 1 4 . 1 1 68 68 GLU C C 62 177.032 177.032 175.596 1.436 17610 3204 1 4 . 1 1 68 68 GLU CA C 62 57.801 57.801 56.595 1.206 17610 3205 1 4 . 1 1 68 68 GLU CB C 62 29.834 29.834 30.043 -0.209 17610 3206 1 4 . 1 1 68 68 GLU H H 62 8.738 8.738 8.597 0.141 17610 3207 1 4 . 1 1 69 69 GLU N N 63 121.861 121.861 119.182 2.679 17610 3208 1 4 . 1 1 69 69 GLU HA H 63 4.228 4.228 3.988 0.240 17610 3209 1 4 . 1 1 69 69 GLU C C 63 176.145 176.145 174.566 1.579 17610 3210 1 4 . 1 1 69 69 GLU CA C 63 57.026 57.026 57.120 -0.094 17610 3211 1 4 . 1 1 69 69 GLU CB C 63 30.231 30.231 28.298 1.933 17610 3212 1 4 . 1 1 69 69 GLU H H 63 8.607 8.607 8.514 0.093 17610 3213 1 4 . 1 1 70 70 TYR N N 64 121.801 121.801 120.329 1.472 17610 3214 1 4 . 1 1 70 70 TYR HA H 64 4.587 4.587 4.718 -0.131 17610 3215 1 4 . 1 1 70 70 TYR C C 64 175.965 175.965 174.719 1.246 17610 3216 1 4 . 1 1 70 70 TYR CA C 64 58.160 58.160 56.965 1.195 17610 3217 1 4 . 1 1 70 70 TYR CB C 64 38.288 38.288 39.564 -1.276 17610 3218 1 4 . 1 1 70 70 TYR H H 64 8.225 8.225 8.068 0.157 17610 3219 1 4 . 1 1 71 71 SER N N 65 120.137 120.137 120.355 -0.218 17610 3220 1 4 . 1 1 71 71 SER HA H 65 4.269 4.269 4.426 -0.157 17610 3221 1 4 . 1 1 71 71 SER C C 65 174.912 174.912 175.555 -0.643 17610 3222 1 4 . 1 1 71 71 SER CA C 65 58.755 58.755 57.980 0.775 17610 3223 1 4 . 1 1 71 71 SER CB C 65 63.755 63.755 63.469 0.286 17610 3224 1 4 . 1 1 71 71 SER H H 65 7.884 7.884 8.823 -0.939 17610 3225 1 4 . 1 1 72 72 ALA N N 66 127.848 127.848 125.105 2.743 17610 3226 1 4 . 1 1 72 72 ALA HA H 66 4.193 4.193 4.159 0.034 17610 3227 1 4 . 1 1 72 72 ALA C C 66 179.820 179.820 179.624 0.196 17610 3228 1 4 . 1 1 72 72 ALA CA C 66 54.595 54.595 54.843 -0.248 17610 3229 1 4 . 1 1 72 72 ALA CB C 66 18.264 18.264 18.413 -0.149 17610 3230 1 4 . 1 1 72 72 ALA H H 66 8.706 8.706 8.494 0.212 17610 3231 1 4 . 1 1 73 73 MET N N 67 118.448 118.448 114.046 4.402 17610 3232 1 4 . 1 1 73 73 MET HA H 67 4.271 4.271 4.301 -0.030 17610 3233 1 4 . 1 1 73 73 MET C C 67 177.098 177.098 176.947 0.151 17610 3234 1 4 . 1 1 73 73 MET CA C 67 56.915 56.915 57.515 -0.600 17610 3235 1 4 . 1 1 73 73 MET CB C 67 32.031 32.031 31.624 0.407 17610 3236 1 4 . 1 1 73 73 MET H H 67 8.007 8.007 8.088 -0.081 17610 3237 1 4 . 1 1 74 74 ARG N N 68 121.351 121.351 119.353 1.998 17610 3238 1 4 . 1 1 74 74 ARG HA H 68 3.793 3.793 4.137 -0.344 17610 3239 1 4 . 1 1 74 74 ARG C C 68 177.730 177.730 178.384 -0.654 17610 3240 1 4 . 1 1 74 74 ARG CA C 68 59.093 59.093 59.607 -0.514 17610 3241 1 4 . 1 1 74 74 ARG CB C 68 30.118 30.118 29.622 0.496 17610 3242 1 4 . 1 1 74 74 ARG H H 68 7.761 7.761 8.487 -0.726 17610 3243 1 4 . 1 1 75 75 ASP N N 69 119.938 119.938 118.116 1.822 17610 3244 1 4 . 1 1 75 75 ASP HA H 69 4.286 4.286 4.602 -0.316 17610 3245 1 4 . 1 1 75 75 ASP C C 69 177.998 177.998 178.022 -0.024 17610 3246 1 4 . 1 1 75 75 ASP CA C 69 57.555 57.555 56.852 0.703 17610 3247 1 4 . 1 1 75 75 ASP CB C 69 40.401 40.401 40.566 -0.165 17610 3248 1 4 . 1 1 75 75 ASP H H 69 8.077 8.077 7.732 0.345 17610 3249 1 4 . 1 1 76 76 GLN N N 70 119.151 119.151 119.914 -0.763 17610 3250 1 4 . 1 1 76 76 GLN HA H 70 4.050 4.050 4.050 -0.000 17610 3251 1 4 . 1 1 76 76 GLN C C 70 178.837 178.837 177.603 1.234 17610 3252 1 4 . 1 1 76 76 GLN CA C 70 58.920 58.920 58.363 0.557 17610 3253 1 4 . 1 1 76 76 GLN CB C 70 28.063 28.063 28.482 -0.419 17610 3254 1 4 . 1 1 76 76 GLN H H 70 7.789 7.789 7.623 0.166 17610 3255 1 4 . 1 1 77 77 TYR N N 71 119.847 119.847 118.705 1.142 17610 3256 1 4 . 1 1 77 77 TYR HA H 71 4.548 4.548 4.555 -0.007 17610 3257 1 4 . 1 1 77 77 TYR C C 71 178.680 178.680 178.856 -0.176 17610 3258 1 4 . 1 1 77 77 TYR CA C 71 58.785 58.785 59.154 -0.369 17610 3259 1 4 . 1 1 77 77 TYR CB C 71 36.986 36.986 38.504 -1.518 17610 3260 1 4 . 1 1 77 77 TYR H H 71 8.131 8.131 7.671 0.460 17610 3261 1 4 . 1 1 78 78 MET N N 72 119.987 119.987 119.000 0.987 17610 3262 1 4 . 1 1 78 78 MET HA H 72 4.402 4.402 4.501 -0.099 17610 3263 1 4 . 1 1 78 78 MET C C 72 177.008 177.008 178.869 -1.861 17610 3264 1 4 . 1 1 78 78 MET CA C 72 59.028 59.028 60.105 -1.077 17610 3265 1 4 . 1 1 78 78 MET CB C 72 32.709 32.709 32.255 0.454 17610 3266 1 4 . 1 1 78 78 MET H H 72 8.380 8.380 8.252 0.128 17610 3267 1 4 . 1 1 79 79 ARG N N 73 117.792 117.792 115.815 1.977 17610 3268 1 4 . 1 1 79 79 ARG HA H 73 3.914 3.914 4.219 -0.305 17610 3269 1 4 . 1 1 79 79 ARG C C 73 178.169 178.169 177.679 0.490 17610 3270 1 4 . 1 1 79 79 ARG CA C 73 59.493 59.493 58.797 0.696 17610 3271 1 4 . 1 1 79 79 ARG CB C 73 30.100 30.100 30.391 -0.291 17610 3272 1 4 . 1 1 79 79 ARG H H 73 7.992 7.992 7.883 0.109 17610 3273 1 4 . 1 1 80 80 THR N N 74 110.012 110.012 107.808 2.204 17610 3274 1 4 . 1 1 80 80 THR HA H 74 4.242 4.242 4.471 -0.229 17610 3275 1 4 . 1 1 80 80 THR C C 74 175.640 175.640 174.895 0.745 17610 3276 1 4 . 1 1 80 80 THR CA C 74 62.863 62.863 61.813 1.050 17610 3277 1 4 . 1 1 80 80 THR CB C 74 69.808 69.808 70.160 -0.352 17610 3278 1 4 . 1 1 80 80 THR H H 74 7.718 7.718 7.757 -0.039 17610 3279 1 4 . 1 1 81 81 GLY N N 75 109.297 109.297 109.648 -0.351 17610 3280 1 4 . 1 1 81 81 GLY C C 75 172.419 172.419 173.511 -1.092 17610 3281 1 4 . 1 1 81 81 GLY CA C 75 46.504 46.504 44.224 2.280 17610 3282 1 4 . 1 1 81 81 GLY H H 75 7.852 7.852 7.686 0.166 17610 3283 1 4 . 1 1 82 82 GLU N N 76 122.399 122.399 123.028 -0.629 17610 3284 1 4 . 1 1 82 82 GLU HA H 76 4.523 4.523 4.188 0.335 17610 3285 1 4 . 1 1 82 82 GLU C C 76 176.409 176.409 175.915 0.494 17610 3286 1 4 . 1 1 82 82 GLU CA C 76 56.469 56.469 58.542 -2.073 17610 3287 1 4 . 1 1 82 82 GLU CB C 76 32.049 32.049 30.559 1.490 17610 3288 1 4 . 1 1 82 82 GLU H H 76 8.879 8.879 8.071 0.808 17610 3289 1 4 . 1 1 83 83 GLY N N 77 102.282 102.282 103.395 -1.113 17610 3290 1 4 . 1 1 83 83 GLY C C 77 170.803 170.803 171.861 -1.058 17610 3291 1 4 . 1 1 83 83 GLY CA C 77 45.453 45.453 44.839 0.614 17610 3292 1 4 . 1 1 83 83 GLY H H 77 7.192 7.192 7.316 -0.124 17610 3293 1 4 . 1 1 84 84 PHE N N 78 122.648 122.648 116.637 6.011 17610 3294 1 4 . 1 1 84 84 PHE HA H 78 5.448 5.448 5.345 0.103 17610 3295 1 4 . 1 1 84 84 PHE C C 78 173.734 173.734 174.004 -0.270 17610 3296 1 4 . 1 1 84 84 PHE CA C 78 57.065 57.065 57.237 -0.172 17610 3297 1 4 . 1 1 84 84 PHE CB C 78 42.997 42.997 44.058 -1.061 17610 3298 1 4 . 1 1 84 84 PHE H H 78 8.224 8.224 8.200 0.024 17610 3299 1 4 . 1 1 85 85 LEU N N 79 127.298 127.298 122.689 4.609 17610 3300 1 4 . 1 1 85 85 LEU HA H 79 4.690 4.690 5.248 -0.558 17610 3301 1 4 . 1 1 85 85 LEU C C 79 174.690 174.690 175.251 -0.561 17610 3302 1 4 . 1 1 85 85 LEU CA C 79 53.981 53.981 53.849 0.132 17610 3303 1 4 . 1 1 85 85 LEU CB C 79 43.058 43.058 46.151 -3.093 17610 3304 1 4 . 1 1 85 85 LEU H H 79 9.189 9.189 8.403 0.786 17610 3305 1 4 . 1 1 86 86 CYS N N 80 125.581 125.581 126.781 -1.200 17610 3306 1 4 . 1 1 86 86 CYS HA H 80 4.689 4.689 4.742 -0.053 17610 3307 1 4 . 1 1 86 86 CYS C C 80 172.664 172.664 173.643 -0.979 17610 3308 1 4 . 1 1 86 86 CYS CA C 80 57.767 57.767 59.518 -1.751 17610 3309 1 4 . 1 1 86 86 CYS CB C 80 27.397 27.397 28.357 -0.960 17610 3310 1 4 . 1 1 86 86 CYS H H 80 8.720 8.720 9.255 -0.535 17610 3311 1 4 . 1 1 87 87 VAL N N 81 127.252 127.252 127.695 -0.443 17610 3312 1 4 . 1 1 87 87 VAL HA H 81 4.983 4.983 4.533 0.450 17610 3313 1 4 . 1 1 87 87 VAL C C 81 175.119 175.119 175.375 -0.256 17610 3314 1 4 . 1 1 87 87 VAL CA C 81 61.275 61.275 61.821 -0.546 17610 3315 1 4 . 1 1 87 87 VAL CB C 81 33.407 33.407 32.318 1.089 17610 3316 1 4 . 1 1 87 87 VAL H H 81 9.028 9.028 8.744 0.284 17610 3317 1 4 . 1 1 88 88 PHE N N 82 125.157 125.157 126.186 -1.029 17610 3318 1 4 . 1 1 88 88 PHE HA H 82 4.992 4.992 5.061 -0.069 17610 3319 1 4 . 1 1 88 88 PHE C C 82 171.162 171.162 173.509 -2.347 17610 3320 1 4 . 1 1 88 88 PHE CA C 82 55.349 55.349 55.126 0.223 17610 3321 1 4 . 1 1 88 88 PHE CB C 82 40.430 40.430 42.453 -2.023 17610 3322 1 4 . 1 1 88 88 PHE H H 82 9.306 9.306 8.864 0.442 17610 3323 1 4 . 1 1 89 89 ALA N N 83 122.321 122.321 126.772 -4.451 17610 3324 1 4 . 1 1 89 89 ALA HA H 83 5.082 5.082 4.535 0.547 17610 3325 1 4 . 1 1 89 89 ALA C C 83 179.267 179.267 178.196 1.071 17610 3326 1 4 . 1 1 89 89 ALA CA C 83 49.635 49.635 49.873 -0.238 17610 3327 1 4 . 1 1 89 89 ALA CB C 83 21.739 21.739 19.859 1.880 17610 3328 1 4 . 1 1 89 89 ALA H H 83 8.692 8.692 8.020 0.672 17610 3329 1 4 . 1 1 90 90 ILE N N 84 114.459 114.459 118.901 -4.442 17610 3330 1 4 . 1 1 90 90 ILE HA H 84 4.054 4.054 3.660 0.394 17610 3331 1 4 . 1 1 90 90 ILE C C 84 174.164 174.164 176.599 -2.435 17610 3332 1 4 . 1 1 90 90 ILE CA C 84 63.169 63.169 64.069 -0.900 17610 3333 1 4 . 1 1 90 90 ILE CB C 84 38.174 38.174 37.632 0.542 17610 3334 1 4 . 1 1 90 90 ILE H H 84 8.461 8.461 7.329 1.132 17610 3335 1 4 . 1 1 91 91 ASN N N 85 118.240 118.240 117.582 0.658 17610 3336 1 4 . 1 1 91 91 ASN HA H 85 5.049 5.049 4.742 0.307 17610 3337 1 4 . 1 1 91 91 ASN C C 85 174.583 174.583 175.356 -0.773 17610 3338 1 4 . 1 1 91 91 ASN CA C 85 52.161 52.161 55.092 -2.931 17610 3339 1 4 . 1 1 91 91 ASN CB C 85 38.132 38.132 38.690 -0.558 17610 3340 1 4 . 1 1 91 91 ASN H H 85 7.906 7.906 8.400 -0.494 17610 3341 1 4 . 1 1 92 92 ASN N N 86 120.345 120.345 116.970 3.375 17610 3342 1 4 . 1 1 92 92 ASN HA H 86 5.080 5.080 4.928 0.152 17610 3343 1 4 . 1 1 92 92 ASN C C 86 175.090 175.090 174.723 0.367 17610 3344 1 4 . 1 1 92 92 ASN CA C 86 52.041 52.041 52.289 -0.248 17610 3345 1 4 . 1 1 92 92 ASN CB C 86 39.203 39.203 38.914 0.289 17610 3346 1 4 . 1 1 92 92 ASN H H 86 7.931 7.931 7.782 0.149 17610 3347 1 4 . 1 1 93 93 THR N N 87 125.665 125.665 119.008 6.657 17610 3348 1 4 . 1 1 93 93 THR HA H 87 3.772 3.772 4.092 -0.320 17610 3349 1 4 . 1 1 93 93 THR C C 87 176.012 176.012 175.981 0.031 17610 3350 1 4 . 1 1 93 93 THR CA C 87 66.753 66.753 66.095 0.658 17610 3351 1 4 . 1 1 93 93 THR CB C 87 68.400 68.400 69.153 -0.753 17610 3352 1 4 . 1 1 93 93 THR H H 87 9.272 9.272 8.482 0.790 17610 3353 1 4 . 1 1 94 94 LYS N N 88 125.404 125.404 121.543 3.861 17610 3354 1 4 . 1 1 94 94 LYS HA H 88 4.186 4.186 4.082 0.104 17610 3355 1 4 . 1 1 94 94 LYS C C 88 178.027 178.027 178.611 -0.584 17610 3356 1 4 . 1 1 94 94 LYS CA C 88 59.359 59.359 60.215 -0.855 17610 3357 1 4 . 1 1 94 94 LYS CB C 88 31.292 31.292 32.243 -0.951 17610 3358 1 4 . 1 1 94 94 LYS H H 88 8.456 8.456 8.584 -0.128 17610 3359 1 4 . 1 1 95 95 SER N N 89 115.491 115.491 114.864 0.627 17610 3360 1 4 . 1 1 95 95 SER HA H 89 4.188 4.188 4.323 -0.135 17610 3361 1 4 . 1 1 95 95 SER C C 89 175.751 175.751 176.516 -0.765 17610 3362 1 4 . 1 1 95 95 SER CA C 89 61.751 61.751 61.425 0.326 17610 3363 1 4 . 1 1 95 95 SER CB C 89 63.530 63.530 62.637 0.893 17610 3364 1 4 . 1 1 95 95 SER H H 89 7.970 7.970 7.871 0.099 17610 3365 1 4 . 1 1 96 96 PHE N N 90 125.899 125.899 122.114 3.785 17610 3366 1 4 . 1 1 96 96 PHE HA H 90 4.037 4.037 4.187 -0.150 17610 3367 1 4 . 1 1 96 96 PHE C C 90 177.267 177.267 177.284 -0.017 17610 3368 1 4 . 1 1 96 96 PHE CA C 90 59.688 59.688 60.790 -1.102 17610 3369 1 4 . 1 1 96 96 PHE CB C 90 40.175 40.175 38.939 1.236 17610 3370 1 4 . 1 1 96 96 PHE H H 90 7.419 7.419 7.822 -0.403 17610 3371 1 4 . 1 1 97 97 GLU N N 91 122.834 122.834 118.449 4.385 17610 3372 1 4 . 1 1 97 97 GLU HA H 91 3.787 3.787 3.945 -0.158 17610 3373 1 4 . 1 1 97 97 GLU C C 91 179.628 179.628 178.499 1.129 17610 3374 1 4 . 1 1 97 97 GLU CA C 91 59.004 59.004 59.634 -0.630 17610 3375 1 4 . 1 1 97 97 GLU CB C 91 29.261 29.261 29.571 -0.310 17610 3376 1 4 . 1 1 97 97 GLU H H 91 8.449 8.449 8.034 0.415 17610 3377 1 4 . 1 1 98 98 ASP N N 92 118.617 118.617 120.490 -1.873 17610 3378 1 4 . 1 1 98 98 ASP HA H 92 4.553 4.553 4.405 0.148 17610 3379 1 4 . 1 1 98 98 ASP C C 92 177.582 177.582 178.833 -1.251 17610 3380 1 4 . 1 1 98 98 ASP CA C 92 56.171 56.171 57.134 -0.963 17610 3381 1 4 . 1 1 98 98 ASP CB C 92 41.184 41.184 40.709 0.475 17610 3382 1 4 . 1 1 98 98 ASP H H 92 8.492 8.492 7.642 0.850 17610 3383 1 4 . 1 1 99 99 ILE N N 93 121.939 121.939 117.754 4.185 17610 3384 1 4 . 1 1 99 99 ILE HA H 93 3.954 3.954 4.055 -0.101 17610 3385 1 4 . 1 1 99 99 ILE C C 93 177.442 177.442 177.631 -0.189 17610 3386 1 4 . 1 1 99 99 ILE CA C 93 62.370 62.370 63.159 -0.789 17610 3387 1 4 . 1 1 99 99 ILE CB C 93 34.570 34.570 36.966 -2.396 17610 3388 1 4 . 1 1 99 99 ILE H H 93 7.583 7.583 8.390 -0.807 17610 3389 1 4 . 1 1 100 100 HIS N N 94 118.387 118.387 119.566 -1.179 17610 3390 1 4 . 1 1 100 100 HIS HA H 94 4.273 4.273 4.449 -0.176 17610 3391 1 4 . 1 1 100 100 HIS C C 94 177.345 177.345 177.050 0.295 17610 3392 1 4 . 1 1 100 100 HIS CA C 94 60.090 60.090 59.699 0.391 17610 3393 1 4 . 1 1 100 100 HIS CB C 94 30.512 30.512 30.530 -0.018 17610 3394 1 4 . 1 1 100 100 HIS H H 94 7.799 7.799 7.400 0.399 17610 3395 1 4 . 1 1 101 101 GLN N N 95 117.673 117.673 118.715 -1.042 17610 3396 1 4 . 1 1 101 101 GLN HA H 95 3.941 3.941 3.892 0.049 17610 3397 1 4 . 1 1 101 101 GLN C C 95 179.155 179.155 178.348 0.807 17610 3398 1 4 . 1 1 101 101 GLN CA C 95 58.371 58.371 58.235 0.136 17610 3399 1 4 . 1 1 101 101 GLN CB C 95 27.807 27.807 28.001 -0.194 17610 3400 1 4 . 1 1 101 101 GLN H H 95 7.468 7.468 7.700 -0.232 17610 3401 1 4 . 1 1 102 102 TYR N N 96 120.407 120.407 120.569 -0.162 17610 3402 1 4 . 1 1 102 102 TYR HA H 96 4.064 4.064 4.081 -0.017 17610 3403 1 4 . 1 1 102 102 TYR C C 96 177.660 177.660 177.748 -0.088 17610 3404 1 4 . 1 1 102 102 TYR CA C 96 62.847 62.847 61.249 1.598 17610 3405 1 4 . 1 1 102 102 TYR CB C 96 37.795 37.795 38.221 -0.427 17610 3406 1 4 . 1 1 102 102 TYR H H 96 7.600 7.600 8.518 -0.918 17610 3407 1 4 . 1 1 103 103 ARG N N 97 119.974 119.974 119.354 0.620 17610 3408 1 4 . 1 1 103 103 ARG HA H 97 3.616 3.616 3.750 -0.134 17610 3409 1 4 . 1 1 103 103 ARG C C 97 177.618 177.618 178.131 -0.513 17610 3410 1 4 . 1 1 103 103 ARG CA C 97 59.938 59.938 59.048 0.890 17610 3411 1 4 . 1 1 103 103 ARG CB C 97 28.599 28.599 29.731 -1.132 17610 3412 1 4 . 1 1 103 103 ARG H H 97 8.395 8.395 7.442 0.953 17610 3413 1 4 . 1 1 104 104 GLU N N 98 118.351 118.351 117.057 1.294 17610 3414 1 4 . 1 1 104 104 GLU HA H 98 3.781 3.781 3.904 -0.123 17610 3415 1 4 . 1 1 104 104 GLU C C 98 178.982 178.982 178.923 0.059 17610 3416 1 4 . 1 1 104 104 GLU CA C 98 58.900 58.900 59.261 -0.361 17610 3417 1 4 . 1 1 104 104 GLU CB C 98 29.435 29.435 28.836 0.599 17610 3418 1 4 . 1 1 104 104 GLU H H 98 7.970 7.970 7.615 0.355 17610 3419 1 4 . 1 1 105 105 GLN N N 99 121.350 121.350 118.310 3.040 17610 3420 1 4 . 1 1 105 105 GLN HA H 99 3.946 3.946 4.080 -0.134 17610 3421 1 4 . 1 1 105 105 GLN C C 99 177.701 177.701 178.338 -0.637 17610 3422 1 4 . 1 1 105 105 GLN CA C 99 59.037 59.037 58.503 0.534 17610 3423 1 4 . 1 1 105 105 GLN CB C 99 27.938 27.938 28.452 -0.514 17610 3424 1 4 . 1 1 105 105 GLN H H 99 7.907 7.907 7.437 0.470 17610 3425 1 4 . 1 1 106 106 ILE N N 100 121.310 121.310 119.839 1.471 17610 3426 1 4 . 1 1 106 106 ILE HA H 100 3.177 3.177 3.348 -0.171 17610 3427 1 4 . 1 1 106 106 ILE C C 100 177.199 177.199 177.692 -0.493 17610 3428 1 4 . 1 1 106 106 ILE CA C 100 65.682 65.682 65.056 0.626 17610 3429 1 4 . 1 1 106 106 ILE CB C 100 37.874 37.874 37.305 0.569 17610 3430 1 4 . 1 1 106 106 ILE H H 100 7.920 7.920 7.333 0.587 17610 3431 1 4 . 1 1 107 107 LYS N N 101 118.584 118.584 118.835 -0.251 17610 3432 1 4 . 1 1 107 107 LYS HA H 101 3.951 3.951 4.038 -0.087 17610 3433 1 4 . 1 1 107 107 LYS C C 101 179.476 179.476 179.041 0.435 17610 3434 1 4 . 1 1 107 107 LYS CA C 101 59.571 59.571 59.096 0.475 17610 3435 1 4 . 1 1 107 107 LYS CB C 101 32.227 32.227 31.607 0.621 17610 3436 1 4 . 1 1 107 107 LYS H H 101 7.782 7.782 7.500 0.282 17610 3437 1 4 . 1 1 108 108 ARG N N 102 119.152 119.152 120.607 -1.455 17610 3438 1 4 . 1 1 108 108 ARG HA H 102 4.082 4.082 4.016 0.066 17610 3439 1 4 . 1 1 108 108 ARG C C 102 179.582 179.582 178.858 0.724 17610 3440 1 4 . 1 1 108 108 ARG CA C 102 58.946 58.946 59.046 -0.100 17610 3441 1 4 . 1 1 108 108 ARG CB C 102 30.097 30.097 30.262 -0.165 17610 3442 1 4 . 1 1 108 108 ARG H H 102 7.777 7.777 7.624 0.153 17610 3443 1 4 . 1 1 109 109 VAL N N 103 119.544 119.544 117.324 2.220 17610 3444 1 4 . 1 1 109 109 VAL HA H 103 3.837 3.837 3.888 -0.051 17610 3445 1 4 . 1 1 109 109 VAL C C 103 177.919 177.919 177.140 0.779 17610 3446 1 4 . 1 1 109 109 VAL CA C 103 65.393 65.393 64.581 0.812 17610 3447 1 4 . 1 1 109 109 VAL CB C 103 31.599 31.599 31.730 -0.131 17610 3448 1 4 . 1 1 109 109 VAL H H 103 8.282 8.282 7.795 0.487 17610 3449 1 4 . 1 1 110 110 LYS N N 104 117.592 117.592 117.898 -0.306 17610 3450 1 4 . 1 1 110 110 LYS HA H 104 4.269 4.269 4.358 -0.089 17610 3451 1 4 . 1 1 110 110 LYS C C 104 175.878 175.878 176.641 -0.763 17610 3452 1 4 . 1 1 110 110 LYS CA C 104 54.797 54.797 56.560 -1.764 17610 3453 1 4 . 1 1 110 110 LYS CB C 104 30.687 30.687 33.092 -2.405 17610 3454 1 4 . 1 1 110 110 LYS H H 104 8.117 8.117 8.133 -0.016 17610 3455 1 4 . 1 1 111 111 ASP N N 105 122.118 122.118 118.379 3.739 17610 3456 1 4 . 1 1 111 111 ASP HA H 105 4.306 4.306 4.299 0.007 17610 3457 1 4 . 1 1 111 111 ASP C C 105 174.496 174.496 174.727 -0.231 17610 3458 1 4 . 1 1 111 111 ASP CA C 105 54.442 54.442 55.300 -0.858 17610 3459 1 4 . 1 1 111 111 ASP CB C 105 39.792 39.792 39.424 0.368 17610 3460 1 4 . 1 1 111 111 ASP H H 105 7.958 7.958 8.118 -0.160 17610 3461 1 4 . 1 1 112 112 SER N N 106 110.372 110.372 113.075 -2.703 17610 3462 1 4 . 1 1 112 112 SER HA H 106 4.565 4.565 4.650 -0.085 17610 3463 1 4 . 1 1 112 112 SER C C 106 172.985 172.985 173.181 -0.196 17610 3464 1 4 . 1 1 112 112 SER CA C 106 56.779 56.779 58.427 -1.648 17610 3465 1 4 . 1 1 112 112 SER CB C 106 65.259 65.259 64.874 0.385 17610 3466 1 4 . 1 1 112 112 SER H H 106 7.539 7.539 7.865 -0.326 17610 3467 1 4 . 1 1 113 113 ASP N N 107 123.301 123.301 123.588 -0.287 17610 3468 1 4 . 1 1 113 113 ASP HA H 107 4.665 4.665 4.375 0.290 17610 3469 1 4 . 1 1 113 113 ASP C C 107 176.066 176.066 175.617 0.449 17610 3470 1 4 . 1 1 113 113 ASP CA C 107 54.267 54.267 56.209 -1.942 17610 3471 1 4 . 1 1 113 113 ASP CB C 107 41.837 41.837 41.008 0.829 17610 3472 1 4 . 1 1 113 113 ASP H H 107 8.385 8.385 8.620 -0.235 17610 3473 1 4 . 1 1 114 114 ASP N N 108 122.347 122.347 118.330 4.017 17610 3474 1 4 . 1 1 114 114 ASP HA H 108 4.882 4.882 4.685 0.197 17610 3475 1 4 . 1 1 114 114 ASP C C 108 174.386 174.386 174.736 -0.350 17610 3476 1 4 . 1 1 114 114 ASP CA C 108 53.143 53.143 53.075 0.068 17610 3477 1 4 . 1 1 114 114 ASP CB C 108 41.323 41.323 40.518 0.805 17610 3478 1 4 . 1 1 114 114 ASP H H 108 8.404 8.404 8.197 0.207 17610 3479 1 4 . 1 1 115 115 VAL N N 109 123.609 123.609 116.636 6.973 17610 3480 1 4 . 1 1 115 115 VAL HA H 109 4.337 4.337 4.402 -0.065 17610 3481 1 4 . 1 1 115 115 VAL CA C 109 58.984 58.984 57.400 1.584 17610 3482 1 4 . 1 1 115 115 VAL CB C 109 34.932 34.932 33.372 1.560 17610 3483 1 4 . 1 1 115 115 VAL H H 109 7.649 7.649 7.553 0.096 17610 3484 1 4 . 1 1 116 116 PRO HA H 110 4.430 4.430 4.541 -0.111 17610 3485 1 4 . 1 1 116 116 PRO C C 110 175.942 175.942 175.435 0.507 17610 3486 1 4 . 1 1 116 116 PRO CA C 110 63.872 63.872 63.370 0.502 17610 3487 1 4 . 1 1 116 116 PRO CB C 110 32.120 32.120 30.344 1.776 17610 3488 1 4 . 1 1 117 117 MET N N 111 124.020 124.020 119.151 4.869 17610 3489 1 4 . 1 1 117 117 MET HA H 111 5.777 5.777 5.452 0.325 17610 3490 1 4 . 1 1 117 117 MET C C 111 173.737 173.737 173.937 -0.200 17610 3491 1 4 . 1 1 117 117 MET CA C 111 55.094 55.094 54.487 0.607 17610 3492 1 4 . 1 1 117 117 MET CB C 111 37.889 37.889 36.963 0.926 17610 3493 1 4 . 1 1 117 117 MET H H 111 8.274 8.274 7.733 0.541 17610 3494 1 4 . 1 1 118 118 VAL N N 112 118.747 118.747 116.590 2.157 17610 3495 1 4 . 1 1 118 118 VAL HA H 112 4.341 4.341 4.529 -0.188 17610 3496 1 4 . 1 1 118 118 VAL C C 112 173.171 173.171 173.495 -0.324 17610 3497 1 4 . 1 1 118 118 VAL CA C 112 60.943 60.943 60.708 0.235 17610 3498 1 4 . 1 1 118 118 VAL CB C 112 37.030 37.030 36.619 0.411 17610 3499 1 4 . 1 1 118 118 VAL H H 112 8.119 8.119 8.635 -0.516 17610 3500 1 4 . 1 1 119 119 LEU N N 113 129.931 129.931 127.001 2.930 17610 3501 1 4 . 1 1 119 119 LEU HA H 113 5.157 5.157 5.212 -0.055 17610 3502 1 4 . 1 1 119 119 LEU C C 113 173.496 173.496 174.898 -1.402 17610 3503 1 4 . 1 1 119 119 LEU CA C 113 53.828 53.828 53.351 0.477 17610 3504 1 4 . 1 1 119 119 LEU CB C 113 43.876 43.876 44.489 -0.613 17610 3505 1 4 . 1 1 119 119 LEU H H 113 8.918 8.918 8.122 0.796 17610 3506 1 4 . 1 1 120 120 VAL N N 114 129.371 129.371 125.644 3.727 17610 3507 1 4 . 1 1 120 120 VAL HA H 114 5.117 5.117 5.262 -0.145 17610 3508 1 4 . 1 1 120 120 VAL C C 114 173.667 173.667 174.885 -1.218 17610 3509 1 4 . 1 1 120 120 VAL CA C 114 60.124 60.124 59.971 0.153 17610 3510 1 4 . 1 1 120 120 VAL CB C 114 35.225 35.225 36.110 -0.885 17610 3511 1 4 . 1 1 120 120 VAL H H 114 9.173 9.173 9.409 -0.236 17610 3512 1 4 . 1 1 121 121 GLY N N 115 115.789 115.789 111.242 4.547 17610 3513 1 4 . 1 1 121 121 GLY C C 115 171.603 171.603 173.493 -1.890 17610 3514 1 4 . 1 1 121 121 GLY CA C 115 45.256 45.256 43.817 1.439 17610 3515 1 4 . 1 1 121 121 GLY H H 115 8.046 8.046 9.005 -0.959 17610 3516 1 4 . 1 1 122 122 ASN N N 116 122.349 122.349 123.950 -1.601 17610 3517 1 4 . 1 1 122 122 ASN HA H 116 5.620 5.620 4.631 0.989 17610 3518 1 4 . 1 1 122 122 ASN C C 116 174.732 174.732 175.439 -0.707 17610 3519 1 4 . 1 1 122 122 ASN CA C 116 51.492 51.492 52.571 -1.079 17610 3520 1 4 . 1 1 122 122 ASN CB C 116 41.323 41.323 39.950 1.373 17610 3521 1 4 . 1 1 122 122 ASN H H 116 8.756 8.756 7.706 1.050 17610 3522 1 4 . 1 1 123 123 LYS N N 117 113.297 113.297 114.904 -1.607 17610 3523 1 4 . 1 1 123 123 LYS HA H 117 4.280 4.280 3.896 0.384 17610 3524 1 4 . 1 1 123 123 LYS C C 117 177.324 177.324 175.340 1.984 17610 3525 1 4 . 1 1 123 123 LYS CA C 117 57.273 57.273 57.412 -0.139 17610 3526 1 4 . 1 1 123 123 LYS CB C 117 29.775 29.775 29.343 0.432 17610 3527 1 4 . 1 1 123 123 LYS H H 117 7.342 7.342 8.769 -1.427 17610 3528 1 4 . 1 1 124 124 CYS N N 118 115.340 115.340 116.441 -1.101 17610 3529 1 4 . 1 1 124 124 CYS HA H 118 4.292 4.292 4.238 0.054 17610 3530 1 4 . 1 1 124 124 CYS C C 118 173.325 173.325 174.951 -1.626 17610 3531 1 4 . 1 1 124 124 CYS CA C 118 60.698 60.698 58.964 1.734 17610 3532 1 4 . 1 1 124 124 CYS CB C 118 26.387 26.387 27.452 -1.065 17610 3533 1 4 . 1 1 124 124 CYS H H 118 8.763 8.763 8.013 0.750 17610 3534 1 4 . 1 1 125 125 ASP N N 119 118.603 118.603 120.024 -1.421 17610 3535 1 4 . 1 1 125 125 ASP HA H 119 4.476 4.476 4.576 -0.100 17610 3536 1 4 . 1 1 125 125 ASP C C 119 175.464 175.464 176.320 -0.856 17610 3537 1 4 . 1 1 125 125 ASP CA C 119 53.951 53.951 55.395 -1.444 17610 3538 1 4 . 1 1 125 125 ASP CB C 119 41.323 41.323 41.045 0.278 17610 3539 1 4 . 1 1 125 125 ASP H H 119 8.613 8.613 7.581 1.032 17610 3540 1 4 . 1 1 126 126 LEU N N 120 122.098 122.098 120.473 1.625 17610 3541 1 4 . 1 1 126 126 LEU HA H 120 4.241 4.241 4.206 0.035 17610 3542 1 4 . 1 1 126 126 LEU C C 120 176.420 176.420 177.442 -1.022 17610 3543 1 4 . 1 1 126 126 LEU CA C 120 54.723 54.723 55.570 -0.847 17610 3544 1 4 . 1 1 126 126 LEU CB C 120 41.837 41.837 42.230 -0.393 17610 3545 1 4 . 1 1 126 126 LEU H H 120 7.802 7.802 7.722 0.080 17610 3546 1 4 . 1 1 127 127 ALA N N 121 123.959 123.959 121.483 2.476 17610 3547 1 4 . 1 1 127 127 ALA HA H 121 4.214 4.214 4.447 -0.233 17610 3548 1 4 . 1 1 127 127 ALA C C 121 178.717 178.717 176.392 2.325 17610 3549 1 4 . 1 1 127 127 ALA CA C 121 53.179 53.179 52.053 1.126 17610 3550 1 4 . 1 1 127 127 ALA CB C 121 18.871 18.871 19.614 -0.744 17610 3551 1 4 . 1 1 127 127 ALA H H 121 8.160 8.160 8.467 -0.307 17610 3552 1 4 . 1 1 128 128 ALA N N 122 123.078 123.078 122.519 0.559 17610 3553 1 4 . 1 1 128 128 ALA HA H 122 4.524 4.524 4.504 0.020 17610 3554 1 4 . 1 1 128 128 ALA C C 122 175.272 175.272 175.782 -0.510 17610 3555 1 4 . 1 1 128 128 ALA CA C 122 51.259 51.259 51.864 -0.605 17610 3556 1 4 . 1 1 128 128 ALA CB C 122 17.623 17.623 19.652 -2.029 17610 3557 1 4 . 1 1 128 128 ALA H H 122 7.698 7.698 7.681 0.017 17610 3558 1 4 . 1 1 129 129 ARG N N 123 121.454 121.454 122.803 -1.349 17610 3559 1 4 . 1 1 129 129 ARG HA H 123 4.093 4.093 4.320 -0.227 17610 3560 1 4 . 1 1 129 129 ARG C C 123 176.271 176.271 175.716 0.555 17610 3561 1 4 . 1 1 129 129 ARG CA C 123 55.596 55.596 55.893 -0.297 17610 3562 1 4 . 1 1 129 129 ARG CB C 123 32.696 32.696 29.875 2.821 17610 3563 1 4 . 1 1 129 129 ARG H H 123 7.992 7.992 8.133 -0.141 17610 3564 1 4 . 1 1 130 130 THR N N 124 115.617 115.617 119.222 -3.605 17610 3565 1 4 . 1 1 130 130 THR HA H 124 4.564 4.564 4.329 0.235 17610 3566 1 4 . 1 1 130 130 THR C C 124 174.119 174.119 175.600 -1.481 17610 3567 1 4 . 1 1 130 130 THR CA C 124 61.746 61.746 63.401 -1.655 17610 3568 1 4 . 1 1 130 130 THR CB C 124 69.094 69.094 69.142 -0.048 17610 3569 1 4 . 1 1 130 130 THR H H 124 9.145 9.145 8.583 0.562 17610 3570 1 4 . 1 1 131 131 VAL N N 125 125.688 125.688 125.268 0.420 17610 3571 1 4 . 1 1 131 131 VAL HA H 125 4.015 4.015 3.799 0.216 17610 3572 1 4 . 1 1 131 131 VAL C C 125 175.658 175.658 175.255 0.403 17610 3573 1 4 . 1 1 131 131 VAL CA C 125 61.373 61.373 62.469 -1.097 17610 3574 1 4 . 1 1 131 131 VAL CB C 125 33.147 33.147 30.489 2.658 17610 3575 1 4 . 1 1 131 131 VAL H H 125 7.618 7.618 7.924 -0.306 17610 3576 1 4 . 1 1 132 132 GLU N N 126 128.319 128.319 127.192 1.127 17610 3577 1 4 . 1 1 132 132 GLU HA H 126 4.228 4.228 4.216 0.012 17610 3578 1 4 . 1 1 132 132 GLU C C 126 177.986 177.986 177.241 0.745 17610 3579 1 4 . 1 1 132 132 GLU CA C 126 56.323 56.323 56.441 -0.118 17610 3580 1 4 . 1 1 132 132 GLU CB C 126 30.158 30.158 30.240 -0.082 17610 3581 1 4 . 1 1 132 132 GLU H H 126 8.727 8.727 7.862 0.865 17610 3582 1 4 . 1 1 133 133 SER N N 127 122.970 122.970 117.042 5.928 17610 3583 1 4 . 1 1 133 133 SER HA H 127 4.074 4.074 4.206 -0.132 17610 3584 1 4 . 1 1 133 133 SER C C 127 176.633 176.633 176.207 0.426 17610 3585 1 4 . 1 1 133 133 SER CA C 127 62.598 62.598 61.315 1.284 17610 3586 1 4 . 1 1 133 133 SER CB C 127 62.511 62.511 63.109 -0.598 17610 3587 1 4 . 1 1 133 133 SER H H 127 9.421 9.421 8.822 0.599 17610 3588 1 4 . 1 1 134 134 ARG N N 128 119.141 119.141 121.426 -2.285 17610 3589 1 4 . 1 1 134 134 ARG HA H 128 4.028 4.028 4.018 0.010 17610 3590 1 4 . 1 1 134 134 ARG C C 128 177.739 177.739 178.276 -0.537 17610 3591 1 4 . 1 1 134 134 ARG CA C 128 58.785 58.785 58.842 -0.057 17610 3592 1 4 . 1 1 134 134 ARG CB C 128 29.752 29.752 29.181 0.571 17610 3593 1 4 . 1 1 134 134 ARG H H 128 8.675 8.675 8.414 0.261 17610 3594 1 4 . 1 1 135 135 GLN N N 129 118.050 118.050 118.286 -0.236 17610 3595 1 4 . 1 1 135 135 GLN HA H 129 4.091 4.091 3.982 0.109 17610 3596 1 4 . 1 1 135 135 GLN C C 129 179.009 179.009 178.291 0.718 17610 3597 1 4 . 1 1 135 135 GLN CA C 129 58.389 58.389 58.758 -0.369 17610 3598 1 4 . 1 1 135 135 GLN CB C 129 28.916 28.916 28.311 0.605 17610 3599 1 4 . 1 1 135 135 GLN H H 129 6.796 6.796 7.741 -0.945 17610 3600 1 4 . 1 1 136 136 ALA N N 130 124.769 124.769 121.725 3.044 17610 3601 1 4 . 1 1 136 136 ALA HA H 130 3.933 3.933 3.710 0.223 17610 3602 1 4 . 1 1 136 136 ALA C C 130 178.155 178.155 179.656 -1.501 17610 3603 1 4 . 1 1 136 136 ALA CA C 130 54.760 54.760 54.838 -0.078 17610 3604 1 4 . 1 1 136 136 ALA CB C 130 18.546 18.546 17.558 0.988 17610 3605 1 4 . 1 1 136 136 ALA H H 130 7.017 7.017 7.411 -0.394 17610 3606 1 4 . 1 1 137 137 GLN N N 131 119.215 119.215 117.412 1.803 17610 3607 1 4 . 1 1 137 137 GLN HA H 131 3.720 3.720 3.868 -0.148 17610 3608 1 4 . 1 1 137 137 GLN C C 131 179.387 179.387 178.333 1.054 17610 3609 1 4 . 1 1 137 137 GLN CA C 131 58.815 58.815 59.561 -0.746 17610 3610 1 4 . 1 1 137 137 GLN CB C 131 28.503 28.503 28.511 -0.008 17610 3611 1 4 . 1 1 137 137 GLN H H 131 8.602 8.602 8.527 0.075 17610 3612 1 4 . 1 1 138 138 ASP N N 132 121.298 121.298 120.120 1.178 17610 3613 1 4 . 1 1 138 138 ASP HA H 132 4.371 4.371 4.401 -0.030 17610 3614 1 4 . 1 1 138 138 ASP C C 132 178.855 178.855 178.649 0.206 17610 3615 1 4 . 1 1 138 138 ASP CA C 132 57.425 57.425 56.985 0.440 17610 3616 1 4 . 1 1 138 138 ASP CB C 132 40.860 40.860 40.878 -0.018 17610 3617 1 4 . 1 1 138 138 ASP H H 132 8.203 8.203 8.224 -0.021 17610 3618 1 4 . 1 1 139 139 LEU N N 133 124.786 124.786 121.204 3.582 17610 3619 1 4 . 1 1 139 139 LEU HA H 133 3.888 3.888 3.910 -0.022 17610 3620 1 4 . 1 1 139 139 LEU C C 133 178.953 178.953 177.748 1.205 17610 3621 1 4 . 1 1 139 139 LEU CA C 133 57.827 57.827 57.449 0.378 17610 3622 1 4 . 1 1 139 139 LEU CB C 133 41.837 41.837 41.726 0.111 17610 3623 1 4 . 1 1 139 139 LEU H H 133 7.485 7.485 7.523 -0.038 17610 3624 1 4 . 1 1 140 140 ALA N N 134 123.038 123.038 121.605 1.433 17610 3625 1 4 . 1 1 140 140 ALA HA H 134 3.783 3.783 3.991 -0.208 17610 3626 1 4 . 1 1 140 140 ALA C C 134 179.902 179.902 179.139 0.763 17610 3627 1 4 . 1 1 140 140 ALA CA C 134 55.832 55.832 55.507 0.325 17610 3628 1 4 . 1 1 140 140 ALA CB C 134 18.120 18.120 18.303 -0.183 17610 3629 1 4 . 1 1 140 140 ALA H H 134 8.426 8.426 8.171 0.255 17610 3630 1 4 . 1 1 141 141 ARG N N 135 119.537 119.537 117.624 1.913 17610 3631 1 4 . 1 1 141 141 ARG HA H 135 4.194 4.194 4.024 0.170 17610 3632 1 4 . 1 1 141 141 ARG C C 135 180.037 180.037 178.551 1.486 17610 3633 1 4 . 1 1 141 141 ARG CA C 135 59.331 59.331 59.104 0.227 17610 3634 1 4 . 1 1 141 141 ARG CB C 135 29.864 29.864 30.118 -0.254 17610 3635 1 4 . 1 1 141 141 ARG H H 135 8.459 8.459 8.197 0.262 17610 3636 1 4 . 1 1 142 142 SER N N 136 118.958 118.958 114.218 4.740 17610 3637 1 4 . 1 1 142 142 SER HA H 136 4.277 4.277 4.192 0.085 17610 3638 1 4 . 1 1 142 142 SER C C 136 176.127 176.127 175.719 0.408 17610 3639 1 4 . 1 1 142 142 SER CA C 136 61.509 61.509 60.394 1.115 17610 3640 1 4 . 1 1 142 142 SER CB C 136 62.529 62.529 63.201 -0.672 17610 3641 1 4 . 1 1 142 142 SER H H 136 7.944 7.944 7.418 0.526 17610 3642 1 4 . 1 1 143 143 TYR N N 137 121.309 121.309 118.047 3.262 17610 3643 1 4 . 1 1 143 143 TYR HA H 137 4.907 4.907 4.419 0.488 17610 3644 1 4 . 1 1 143 143 TYR C C 137 176.279 176.279 176.482 -0.203 17610 3645 1 4 . 1 1 143 143 TYR CA C 137 54.737 54.737 57.754 -3.017 17610 3646 1 4 . 1 1 143 143 TYR CB C 137 38.830 38.830 38.932 -0.102 17610 3647 1 4 . 1 1 143 143 TYR H H 137 7.623 7.623 7.373 0.250 17610 3648 1 4 . 1 1 144 144 GLY N N 138 112.193 112.193 107.438 4.755 17610 3649 1 4 . 1 1 144 144 GLY C C 138 175.077 175.077 174.566 0.511 17610 3650 1 4 . 1 1 144 144 GLY CA C 138 46.439 46.439 45.658 0.781 17610 3651 1 4 . 1 1 144 144 GLY H H 138 8.328 8.328 7.557 0.771 17610 3652 1 4 . 1 1 145 145 ILE N N 139 114.227 114.227 116.314 -2.087 17610 3653 1 4 . 1 1 145 145 ILE HA H 139 5.241 5.241 4.761 0.480 17610 3654 1 4 . 1 1 145 145 ILE CA C 139 58.420 58.420 57.768 0.652 17610 3655 1 4 . 1 1 145 145 ILE CB C 139 38.543 38.543 38.860 -0.317 17610 3656 1 4 . 1 1 145 145 ILE H H 139 8.059 8.059 7.537 0.522 17610 3657 1 4 . 1 1 146 146 PRO HA H 140 4.627 4.627 4.476 0.151 17610 3658 1 4 . 1 1 146 146 PRO C C 140 174.570 174.570 175.256 -0.686 17610 3659 1 4 . 1 1 146 146 PRO CA C 140 62.362 62.362 62.504 -0.142 17610 3660 1 4 . 1 1 146 146 PRO CB C 140 33.057 33.057 32.476 0.581 17610 3661 1 4 . 1 1 147 147 TYR N N 141 121.135 121.135 122.275 -1.140 17610 3662 1 4 . 1 1 147 147 TYR HA H 141 5.997 5.997 5.609 0.388 17610 3663 1 4 . 1 1 147 147 TYR C C 141 174.492 174.492 174.889 -0.397 17610 3664 1 4 . 1 1 147 147 TYR CA C 141 54.912 54.912 55.670 -0.758 17610 3665 1 4 . 1 1 147 147 TYR CB C 141 40.972 40.972 40.337 0.635 17610 3666 1 4 . 1 1 147 147 TYR H H 141 8.252 8.252 8.384 -0.132 17610 3667 1 4 . 1 1 148 148 ILE N N 142 131.362 131.362 127.609 3.753 17610 3668 1 4 . 1 1 148 148 ILE HA H 142 3.948 3.948 4.229 -0.281 17610 3669 1 4 . 1 1 148 148 ILE C C 142 172.977 172.977 174.187 -1.210 17610 3670 1 4 . 1 1 148 148 ILE CA C 142 59.383 59.383 59.910 -0.527 17610 3671 1 4 . 1 1 148 148 ILE CB C 142 42.260 42.260 41.727 0.533 17610 3672 1 4 . 1 1 148 148 ILE H H 142 8.495 8.495 8.593 -0.098 17610 3673 1 4 . 1 1 149 149 GLU N N 143 125.874 125.874 123.521 2.353 17610 3674 1 4 . 1 1 149 149 GLU HA H 143 4.788 4.788 4.637 0.151 17610 3675 1 4 . 1 1 149 149 GLU C C 143 176.128 176.128 175.454 0.674 17610 3676 1 4 . 1 1 149 149 GLU CA C 143 55.647 55.647 55.147 0.500 17610 3677 1 4 . 1 1 149 149 GLU CB C 143 29.727 29.727 31.184 -1.457 17610 3678 1 4 . 1 1 149 149 GLU H H 143 7.827 7.827 8.517 -0.690 17610 3679 1 4 . 1 1 150 150 THR N N 144 113.629 113.629 114.022 -0.393 17610 3680 1 4 . 1 1 150 150 THR HA H 144 5.081 5.081 5.277 -0.196 17610 3681 1 4 . 1 1 150 150 THR C C 144 176.136 176.136 173.027 3.109 17610 3682 1 4 . 1 1 150 150 THR CA C 144 59.464 59.464 59.526 -0.062 17610 3683 1 4 . 1 1 150 150 THR CB C 144 73.639 73.639 71.871 1.768 17610 3684 1 4 . 1 1 150 150 THR H H 144 8.800 8.800 8.130 0.670 17610 3685 1 4 . 1 1 151 151 SER N N 145 113.706 113.706 115.267 -1.561 17610 3686 1 4 . 1 1 151 151 SER HA H 145 4.883 4.883 5.055 -0.172 17610 3687 1 4 . 1 1 151 151 SER C C 145 175.707 175.707 173.809 1.898 17610 3688 1 4 . 1 1 151 151 SER CA C 145 57.438 57.438 57.011 0.427 17610 3689 1 4 . 1 1 151 151 SER CB C 145 64.470 64.470 65.391 -0.921 17610 3690 1 4 . 1 1 151 151 SER H H 145 8.807 8.807 8.095 0.712 17610 3691 1 4 . 1 1 152 152 ALA N N 146 133.500 133.500 130.590 2.910 17610 3692 1 4 . 1 1 152 152 ALA HA H 146 3.890 3.890 3.913 -0.023 17610 3693 1 4 . 1 1 152 152 ALA C C 146 175.632 175.632 177.666 -2.034 17610 3694 1 4 . 1 1 152 152 ALA CA C 146 54.416 54.416 54.541 -0.125 17610 3695 1 4 . 1 1 152 152 ALA CB C 146 18.605 18.605 18.392 0.213 17610 3696 1 4 . 1 1 152 152 ALA H H 146 9.134 9.134 8.554 0.580 17610 3697 1 4 . 1 1 153 153 LYS N N 147 117.223 117.223 117.188 0.035 17610 3698 1 4 . 1 1 153 153 LYS HA H 147 2.616 2.616 3.896 -1.280 17610 3699 1 4 . 1 1 153 153 LYS C C 147 177.045 177.045 177.736 -0.691 17610 3700 1 4 . 1 1 153 153 LYS CA C 147 58.119 58.119 58.370 -0.251 17610 3701 1 4 . 1 1 153 153 LYS CB C 147 33.956 33.956 32.078 1.878 17610 3702 1 4 . 1 1 153 153 LYS H H 147 7.042 7.042 7.527 -0.485 17610 3703 1 4 . 1 1 154 154 THR N N 148 107.404 107.404 111.153 -3.749 17610 3704 1 4 . 1 1 154 154 THR HA H 148 4.157 4.157 4.235 -0.078 17610 3705 1 4 . 1 1 154 154 THR C C 148 175.979 175.979 175.285 0.694 17610 3706 1 4 . 1 1 154 154 THR CA C 148 61.489 61.489 62.288 -0.799 17610 3707 1 4 . 1 1 154 154 THR CB C 148 69.911 69.911 69.551 0.360 17610 3708 1 4 . 1 1 154 154 THR H H 148 7.721 7.721 7.642 0.079 17610 3709 1 4 . 1 1 155 155 ARG N N 149 119.268 119.268 119.465 -0.197 17610 3710 1 4 . 1 1 155 155 ARG HA H 149 3.476 3.476 3.945 -0.469 17610 3711 1 4 . 1 1 155 155 ARG C C 149 175.481 175.481 174.574 0.907 17610 3712 1 4 . 1 1 155 155 ARG CA C 149 59.653 59.653 56.879 2.774 17610 3713 1 4 . 1 1 155 155 ARG CB C 149 30.445 30.445 28.213 2.232 17610 3714 1 4 . 1 1 155 155 ARG H H 149 7.814 7.814 8.024 -0.210 17610 3715 1 4 . 1 1 156 156 GLN N N 150 125.391 125.391 120.128 5.263 17610 3716 1 4 . 1 1 156 156 GLN HA H 150 4.065 4.065 4.299 -0.234 17610 3717 1 4 . 1 1 156 156 GLN C C 150 177.007 177.007 176.469 0.538 17610 3718 1 4 . 1 1 156 156 GLN CA C 150 57.433 57.433 56.554 0.879 17610 3719 1 4 . 1 1 156 156 GLN CB C 150 28.472 28.472 29.566 -1.094 17610 3720 1 4 . 1 1 156 156 GLN H H 150 7.833 7.833 7.607 0.226 17610 3721 1 4 . 1 1 157 157 GLY N N 151 116.380 116.380 114.187 2.193 17610 3722 1 4 . 1 1 157 157 GLY C C 151 173.581 173.581 175.092 -1.511 17610 3723 1 4 . 1 1 157 157 GLY CA C 151 46.945 46.945 46.262 0.683 17610 3724 1 4 . 1 1 157 157 GLY H H 151 8.936 8.936 9.041 -0.105 17610 3725 1 4 . 1 1 158 158 VAL N N 152 121.822 121.822 119.510 2.312 17610 3726 1 4 . 1 1 158 158 VAL HA H 152 3.221 3.221 3.540 -0.319 17610 3727 1 4 . 1 1 158 158 VAL C C 152 177.006 177.006 177.305 -0.299 17610 3728 1 4 . 1 1 158 158 VAL CA C 152 68.314 68.314 66.166 2.148 17610 3729 1 4 . 1 1 158 158 VAL CB C 152 31.473 31.473 31.969 -0.496 17610 3730 1 4 . 1 1 158 158 VAL H H 152 7.099 7.099 7.094 0.005 17610 3731 1 4 . 1 1 159 159 GLU N N 153 118.087 118.087 118.675 -0.588 17610 3732 1 4 . 1 1 159 159 GLU HA H 153 3.305 3.305 3.941 -0.636 17610 3733 1 4 . 1 1 159 159 GLU C C 153 177.163 177.163 178.098 -0.935 17610 3734 1 4 . 1 1 159 159 GLU CA C 153 60.407 60.407 60.132 0.275 17610 3735 1 4 . 1 1 159 159 GLU CB C 153 28.787 28.787 28.725 0.062 17610 3736 1 4 . 1 1 159 159 GLU H H 153 8.271 8.271 8.821 -0.550 17610 3737 1 4 . 1 1 160 160 ASP N N 154 117.624 117.624 119.433 -1.809 17610 3738 1 4 . 1 1 160 160 ASP HA H 154 4.205 4.205 4.293 -0.088 17610 3739 1 4 . 1 1 160 160 ASP C C 154 179.366 179.366 178.057 1.309 17610 3740 1 4 . 1 1 160 160 ASP CA C 154 57.288 57.288 57.619 -0.331 17610 3741 1 4 . 1 1 160 160 ASP CB C 154 40.040 40.040 40.142 -0.102 17610 3742 1 4 . 1 1 160 160 ASP H H 154 8.145 8.145 7.983 0.162 17610 3743 1 4 . 1 1 161 161 ALA N N 155 125.270 125.270 121.910 3.360 17610 3744 1 4 . 1 1 161 161 ALA HA H 155 3.749 3.749 3.967 -0.218 17610 3745 1 4 . 1 1 161 161 ALA C C 155 177.684 177.684 179.709 -2.025 17610 3746 1 4 . 1 1 161 161 ALA CA C 155 56.295 56.295 54.917 1.378 17610 3747 1 4 . 1 1 161 161 ALA CB C 155 17.397 17.397 18.340 -0.944 17610 3748 1 4 . 1 1 161 161 ALA H H 155 8.603 8.603 7.502 1.101 17610 3749 1 4 . 1 1 162 162 PHE N N 156 113.772 113.772 117.206 -3.434 17610 3750 1 4 . 1 1 162 162 PHE HA H 156 3.912 3.912 4.255 -0.343 17610 3751 1 4 . 1 1 162 162 PHE C C 156 177.975 177.975 178.056 -0.081 17610 3752 1 4 . 1 1 162 162 PHE CA C 156 62.851 62.851 61.918 0.933 17610 3753 1 4 . 1 1 162 162 PHE CB C 156 39.472 39.472 38.828 0.644 17610 3754 1 4 . 1 1 162 162 PHE H H 156 7.236 7.236 7.452 -0.216 17610 3755 1 4 . 1 1 163 163 TYR N N 157 120.499 120.499 118.885 1.614 17610 3756 1 4 . 1 1 163 163 TYR HA H 157 4.355 4.355 4.155 0.200 17610 3757 1 4 . 1 1 163 163 TYR C C 157 179.097 179.097 178.196 0.901 17610 3758 1 4 . 1 1 163 163 TYR CA C 157 58.309 58.309 60.435 -2.126 17610 3759 1 4 . 1 1 163 163 TYR CB C 157 35.012 35.012 37.523 -2.511 17610 3760 1 4 . 1 1 163 163 TYR H H 157 9.573 9.573 9.196 0.377 17610 3761 1 4 . 1 1 164 164 THR N N 158 118.206 118.206 115.423 2.783 17610 3762 1 4 . 1 1 164 164 THR HA H 158 3.903 3.903 3.996 -0.093 17610 3763 1 4 . 1 1 164 164 THR C C 158 175.656 175.656 176.329 -0.673 17610 3764 1 4 . 1 1 164 164 THR CA C 158 67.484 67.484 66.121 1.363 17610 3765 1 4 . 1 1 164 164 THR CB C 158 67.819 67.819 68.349 -0.530 17610 3766 1 4 . 1 1 164 164 THR H H 158 8.538 8.538 8.367 0.171 17610 3767 1 4 . 1 1 165 165 LEU N N 159 122.864 122.864 121.564 1.300 17610 3768 1 4 . 1 1 165 165 LEU HA H 159 3.871 3.871 4.215 -0.344 17610 3769 1 4 . 1 1 165 165 LEU C C 159 177.513 177.513 177.389 0.124 17610 3770 1 4 . 1 1 165 165 LEU CA C 159 57.991 57.991 57.808 0.183 17610 3771 1 4 . 1 1 165 165 LEU CB C 159 40.181 40.181 41.401 -1.220 17610 3772 1 4 . 1 1 165 165 LEU H H 159 7.232 7.232 7.652 -0.420 17610 3773 1 4 . 1 1 166 166 VAL N N 160 120.322 120.322 118.205 2.117 17610 3774 1 4 . 1 1 166 166 VAL HA H 160 3.045 3.045 3.234 -0.189 17610 3775 1 4 . 1 1 166 166 VAL C C 160 177.474 177.474 178.305 -0.831 17610 3776 1 4 . 1 1 166 166 VAL CA C 160 67.389 67.389 65.918 1.471 17610 3777 1 4 . 1 1 166 166 VAL CB C 160 30.944 30.944 30.608 0.336 17610 3778 1 4 . 1 1 166 166 VAL H H 160 7.517 7.517 7.266 0.251 17610 3779 1 4 . 1 1 167 167 ARG N N 161 120.151 120.151 117.925 2.226 17610 3780 1 4 . 1 1 167 167 ARG HA H 161 3.772 3.772 4.033 -0.261 17610 3781 1 4 . 1 1 167 167 ARG C C 161 179.030 179.030 178.624 0.406 17610 3782 1 4 . 1 1 167 167 ARG CA C 161 60.935 60.935 59.576 1.359 17610 3783 1 4 . 1 1 167 167 ARG CB C 161 29.586 29.586 29.906 -0.320 17610 3784 1 4 . 1 1 167 167 ARG H H 161 8.044 8.044 7.455 0.589 17610 3785 1 4 . 1 1 168 168 GLU N N 162 119.201 119.201 120.972 -1.771 17610 3786 1 4 . 1 1 168 168 GLU HA H 162 4.050 4.050 4.154 -0.104 17610 3787 1 4 . 1 1 168 168 GLU C C 162 179.805 179.805 178.974 0.831 17610 3788 1 4 . 1 1 168 168 GLU CA C 162 58.867 58.867 59.216 -0.349 17610 3789 1 4 . 1 1 168 168 GLU CB C 162 30.330 30.330 29.324 1.006 17610 3790 1 4 . 1 1 168 168 GLU H H 162 8.171 8.171 7.458 0.713 17610 3791 1 4 . 1 1 169 169 ILE N N 163 123.244 123.244 119.160 4.084 17610 3792 1 4 . 1 1 169 169 ILE HA H 163 3.583 3.583 3.724 -0.141 17610 3793 1 4 . 1 1 169 169 ILE C C 163 178.906 178.906 178.750 0.156 17610 3794 1 4 . 1 1 169 169 ILE CA C 163 66.023 66.023 65.282 0.741 17610 3795 1 4 . 1 1 169 169 ILE CB C 163 38.204 38.204 37.780 0.424 17610 3796 1 4 . 1 1 169 169 ILE H H 163 8.174 8.174 8.313 -0.139 17610 3797 1 4 . 1 1 170 170 ARG N N 164 119.842 119.842 119.584 0.258 17610 3798 1 4 . 1 1 170 170 ARG HA H 164 4.140 4.140 4.105 0.035 17610 3799 1 4 . 1 1 170 170 ARG C C 164 177.532 177.532 178.369 -0.837 17610 3800 1 4 . 1 1 170 170 ARG CA C 164 58.944 58.944 59.218 -0.274 17610 3801 1 4 . 1 1 170 170 ARG CB C 164 31.206 31.206 30.086 1.120 17610 3802 1 4 . 1 1 170 170 ARG H H 164 8.405 8.405 7.546 0.859 17610 3803 1 4 . 1 1 171 171 GLN N N 165 116.762 116.762 115.489 1.273 17610 3804 1 4 . 1 1 171 171 GLN HA H 165 4.343 4.343 4.159 0.184 17610 3805 1 4 . 1 1 171 171 GLN C C 165 175.218 175.218 176.506 -1.288 17610 3806 1 4 . 1 1 171 171 GLN CA C 165 56.100 56.100 57.659 -1.559 17610 3807 1 4 . 1 1 171 171 GLN CB C 165 29.236 29.236 28.922 0.314 17610 3808 1 4 . 1 1 171 171 GLN H H 165 7.646 7.646 7.787 -0.141 17610 3809 1 5 . 1 1 8 8 THR N N 2 124.188 124.188 118.147 6.041 17610 3810 1 5 . 1 1 8 8 THR HA H 2 3.983 3.983 4.252 -0.269 17610 3811 1 5 . 1 1 8 8 THR C C 2 171.971 171.971 172.957 -0.986 17610 3812 1 5 . 1 1 8 8 THR CA C 2 63.551 63.551 63.151 0.400 17610 3813 1 5 . 1 1 8 8 THR CB C 2 69.619 69.619 69.594 0.025 17610 3814 1 5 . 1 1 8 8 THR H H 2 8.667 8.667 8.652 0.015 17610 3815 1 5 . 1 1 9 9 GLU N N 3 127.895 127.895 124.414 3.481 17610 3816 1 5 . 1 1 9 9 GLU HA H 3 5.280 5.280 4.338 0.942 17610 3817 1 5 . 1 1 9 9 GLU C C 3 175.089 175.089 175.097 -0.008 17610 3818 1 5 . 1 1 9 9 GLU CA C 3 53.636 53.636 55.759 -2.123 17610 3819 1 5 . 1 1 9 9 GLU CB C 3 32.029 32.029 31.035 0.994 17610 3820 1 5 . 1 1 9 9 GLU H H 3 8.316 8.316 8.346 -0.030 17610 3821 1 5 . 1 1 10 10 TYR N N 4 123.375 123.375 124.731 -1.356 17610 3822 1 5 . 1 1 10 10 TYR HA H 4 5.131 5.131 4.705 0.426 17610 3823 1 5 . 1 1 10 10 TYR C C 4 174.621 174.621 174.716 -0.095 17610 3824 1 5 . 1 1 10 10 TYR CA C 4 56.649 56.649 57.125 -0.476 17610 3825 1 5 . 1 1 10 10 TYR CB C 4 41.323 41.323 41.262 0.061 17610 3826 1 5 . 1 1 10 10 TYR H H 4 8.739 8.739 8.224 0.515 17610 3827 1 5 . 1 1 11 11 LYS N N 5 125.147 125.147 125.778 -0.631 17610 3828 1 5 . 1 1 11 11 LYS HA H 5 5.168 5.168 4.821 0.347 17610 3829 1 5 . 1 1 11 11 LYS C C 5 175.291 175.291 175.101 0.190 17610 3830 1 5 . 1 1 11 11 LYS CA C 5 55.145 55.145 55.474 -0.329 17610 3831 1 5 . 1 1 11 11 LYS CB C 5 32.225 32.225 32.701 -0.476 17610 3832 1 5 . 1 1 11 11 LYS H H 5 9.142 9.142 8.765 0.377 17610 3833 1 5 . 1 1 12 12 LEU N N 6 127.306 127.306 127.282 0.024 17610 3834 1 5 . 1 1 12 12 LEU HA H 6 4.970 4.970 4.366 0.604 17610 3835 1 5 . 1 1 12 12 LEU C C 6 175.298 175.298 174.806 0.492 17610 3836 1 5 . 1 1 12 12 LEU CA C 6 52.743 52.743 54.103 -1.360 17610 3837 1 5 . 1 1 12 12 LEU CB C 6 43.063 43.063 43.278 -0.215 17610 3838 1 5 . 1 1 12 12 LEU H H 6 9.150 9.150 8.569 0.581 17610 3839 1 5 . 1 1 13 13 VAL N N 7 123.170 123.170 124.159 -0.989 17610 3840 1 5 . 1 1 13 13 VAL HA H 7 4.827 4.827 4.192 0.635 17610 3841 1 5 . 1 1 13 13 VAL C C 7 174.230 174.230 175.229 -0.999 17610 3842 1 5 . 1 1 13 13 VAL CB C 7 34.048 34.048 31.446 2.602 17610 3843 1 5 . 1 1 13 13 VAL H H 7 8.113 8.113 7.739 0.374 17610 3844 1 5 . 1 1 14 14 VAL N N 8 129.854 129.854 128.789 1.065 17610 3845 1 5 . 1 1 14 14 VAL HA H 8 4.669 4.669 4.236 0.433 17610 3846 1 5 . 1 1 14 14 VAL C C 8 175.377 175.377 175.764 -0.387 17610 3847 1 5 . 1 1 14 14 VAL CA C 8 61.935 61.935 61.473 0.462 17610 3848 1 5 . 1 1 14 14 VAL CB C 8 32.496 32.496 32.073 0.423 17610 3849 1 5 . 1 1 14 14 VAL H H 8 8.707 8.707 7.851 0.856 17610 3850 1 5 . 1 1 15 15 VAL N N 9 121.835 121.835 118.689 3.146 17610 3851 1 5 . 1 1 15 15 VAL HA H 9 4.616 4.616 4.617 -0.001 17610 3852 1 5 . 1 1 15 15 VAL C C 9 172.824 172.824 174.909 -2.085 17610 3853 1 5 . 1 1 15 15 VAL CA C 9 58.963 58.963 58.786 0.177 17610 3854 1 5 . 1 1 15 15 VAL CB C 9 35.405 35.405 33.441 1.964 17610 3855 1 5 . 1 1 15 15 VAL H H 9 9.107 9.107 8.183 0.924 17610 3856 1 5 . 1 1 16 16 GLY N N 10 109.233 109.233 105.825 3.408 17610 3857 1 5 . 1 1 16 16 GLY C C 10 172.504 172.504 172.891 -0.387 17610 3858 1 5 . 1 1 16 16 GLY CA C 10 43.848 43.848 45.464 -1.616 17610 3859 1 5 . 1 1 16 16 GLY H H 10 7.394 7.394 7.906 -0.512 17610 3860 1 5 . 1 1 17 17 ALA N N 11 123.120 123.120 122.458 0.662 17610 3861 1 5 . 1 1 17 17 ALA HA H 11 4.547 4.547 4.929 -0.382 17610 3862 1 5 . 1 1 17 17 ALA C C 11 177.371 177.371 177.786 -0.415 17610 3863 1 5 . 1 1 17 17 ALA CA C 11 52.236 52.236 51.114 1.122 17610 3864 1 5 . 1 1 17 17 ALA CB C 11 19.807 19.807 19.204 0.603 17610 3865 1 5 . 1 1 17 17 ALA H H 11 9.054 9.054 8.821 0.233 17610 3866 1 5 . 1 1 18 18 GLY N N 12 107.391 107.391 106.304 1.087 17610 3867 1 5 . 1 1 18 18 GLY C C 12 176.858 176.858 174.537 2.321 17610 3868 1 5 . 1 1 18 18 GLY CA C 12 46.465 46.465 45.368 1.097 17610 3869 1 5 . 1 1 18 18 GLY H H 12 8.694 8.694 8.142 0.552 17610 3870 1 5 . 1 1 19 19 GLY N N 13 114.596 114.596 107.620 6.976 17610 3871 1 5 . 1 1 19 19 GLY C C 13 174.661 174.661 174.000 0.661 17610 3872 1 5 . 1 1 19 19 GLY CA C 13 46.545 46.545 44.185 2.360 17610 3873 1 5 . 1 1 19 19 GLY H H 13 8.916 8.916 8.024 0.892 17610 3874 1 5 . 1 1 20 20 VAL N N 14 113.376 113.376 114.317 -0.941 17610 3875 1 5 . 1 1 20 20 VAL HA H 14 4.008 4.008 4.379 -0.371 17610 3876 1 5 . 1 1 20 20 VAL C C 14 174.469 174.469 175.591 -1.122 17610 3877 1 5 . 1 1 20 20 VAL CA C 14 62.825 62.825 60.016 2.809 17610 3878 1 5 . 1 1 20 20 VAL CB C 14 31.740 31.740 32.764 -1.024 17610 3879 1 5 . 1 1 20 20 VAL H H 14 7.427 7.427 7.629 -0.202 17610 3880 1 5 . 1 1 21 21 GLY N N 15 109.392 109.392 108.442 0.950 17610 3881 1 5 . 1 1 21 21 GLY C C 15 173.254 173.254 175.496 -2.242 17610 3882 1 5 . 1 1 21 21 GLY CA C 15 45.708 45.708 45.605 0.103 17610 3883 1 5 . 1 1 21 21 GLY H H 15 8.388 8.388 8.504 -0.116 17610 3884 1 5 . 1 1 22 22 LYS N N 16 124.844 124.844 118.810 6.034 17610 3885 1 5 . 1 1 22 22 LYS HA H 16 3.537 3.537 3.980 -0.443 17610 3886 1 5 . 1 1 22 22 LYS C C 16 179.106 179.106 177.669 1.437 17610 3887 1 5 . 1 1 22 22 LYS CA C 16 60.990 60.990 58.451 2.539 17610 3888 1 5 . 1 1 22 22 LYS CB C 16 29.967 29.967 31.809 -1.843 17610 3889 1 5 . 1 1 22 22 LYS H H 16 9.097 9.097 8.246 0.851 17610 3890 1 5 . 1 1 23 23 SER N N 17 121.228 121.228 115.942 5.286 17610 3891 1 5 . 1 1 23 23 SER HA H 17 4.292 4.292 4.231 0.061 17610 3892 1 5 . 1 1 23 23 SER C C 17 175.697 175.697 176.359 -0.662 17610 3893 1 5 . 1 1 23 23 SER CA C 17 61.346 61.346 60.881 0.465 17610 3894 1 5 . 1 1 23 23 SER CB C 17 61.337 61.337 62.255 -0.918 17610 3895 1 5 . 1 1 23 23 SER H H 17 9.546 9.546 8.195 1.351 17610 3896 1 5 . 1 1 24 24 ALA N N 18 126.557 126.557 125.467 1.090 17610 3897 1 5 . 1 1 24 24 ALA HA H 18 3.946 3.946 4.006 -0.060 17610 3898 1 5 . 1 1 24 24 ALA C C 18 181.834 181.834 179.957 1.877 17610 3899 1 5 . 1 1 24 24 ALA CA C 18 54.587 54.587 54.731 -0.144 17610 3900 1 5 . 1 1 24 24 ALA CB C 18 18.539 18.539 18.204 0.335 17610 3901 1 5 . 1 1 24 24 ALA H H 18 9.189 9.189 7.975 1.214 17610 3902 1 5 . 1 1 25 25 LEU N N 19 121.712 121.712 115.190 6.522 17610 3903 1 5 . 1 1 25 25 LEU HA H 19 3.878 3.878 4.058 -0.180 17610 3904 1 5 . 1 1 25 25 LEU C C 19 177.485 177.485 179.045 -1.560 17610 3905 1 5 . 1 1 25 25 LEU CA C 19 58.729 58.729 57.991 0.738 17610 3906 1 5 . 1 1 25 25 LEU CB C 19 43.227 43.227 40.709 2.518 17610 3907 1 5 . 1 1 25 25 LEU H H 19 8.817 8.817 7.587 1.230 17610 3908 1 5 . 1 1 26 26 THR N N 20 118.148 118.148 116.977 1.171 17610 3909 1 5 . 1 1 26 26 THR HA H 20 3.401 3.401 4.062 -0.661 17610 3910 1 5 . 1 1 26 26 THR C C 20 175.714 175.714 176.537 -0.823 17610 3911 1 5 . 1 1 26 26 THR CA C 20 68.122 68.122 66.566 1.556 17610 3912 1 5 . 1 1 26 26 THR CB C 20 68.196 68.196 68.872 -0.676 17610 3913 1 5 . 1 1 26 26 THR H H 20 7.517 7.517 7.277 0.240 17610 3914 1 5 . 1 1 27 27 ILE N N 21 121.987 121.987 120.887 1.100 17610 3915 1 5 . 1 1 27 27 ILE HA H 21 3.302 3.302 3.382 -0.080 17610 3916 1 5 . 1 1 27 27 ILE C C 21 175.380 175.380 178.178 -2.798 17610 3917 1 5 . 1 1 27 27 ILE CA C 21 64.278 64.278 63.331 0.947 17610 3918 1 5 . 1 1 27 27 ILE CB C 21 36.758 36.758 36.226 0.532 17610 3919 1 5 . 1 1 27 27 ILE H H 21 8.950 8.950 8.210 0.740 17610 3920 1 5 . 1 1 28 28 GLN N N 22 121.898 121.898 119.138 2.760 17610 3921 1 5 . 1 1 28 28 GLN HA H 22 4.334 4.334 4.178 0.156 17610 3922 1 5 . 1 1 28 28 GLN C C 22 179.058 179.058 178.806 0.252 17610 3923 1 5 . 1 1 28 28 GLN CA C 22 58.796 58.796 58.679 0.117 17610 3924 1 5 . 1 1 28 28 GLN CB C 22 29.752 29.752 28.500 1.252 17610 3925 1 5 . 1 1 28 28 GLN H H 22 8.094 8.094 8.125 -0.031 17610 3926 1 5 . 1 1 29 29 LEU N N 23 121.426 121.426 116.470 4.956 17610 3927 1 5 . 1 1 29 29 LEU HA H 23 3.765 3.765 4.066 -0.301 17610 3928 1 5 . 1 1 29 29 LEU C C 23 178.155 178.155 176.221 1.934 17610 3929 1 5 . 1 1 29 29 LEU CA C 23 58.304 58.304 55.832 2.472 17610 3930 1 5 . 1 1 29 29 LEU CB C 23 40.637 40.637 41.580 -0.943 17610 3931 1 5 . 1 1 29 29 LEU H H 23 7.746 7.746 7.397 0.349 17610 3932 1 5 . 1 1 30 30 ILE N N 24 115.325 115.325 116.496 -1.171 17610 3933 1 5 . 1 1 30 30 ILE HA H 24 3.697 3.697 3.993 -0.296 17610 3934 1 5 . 1 1 30 30 ILE C C 24 177.421 177.421 177.183 0.238 17610 3935 1 5 . 1 1 30 30 ILE CA C 24 62.050 62.050 62.151 -0.102 17610 3936 1 5 . 1 1 30 30 ILE CB C 24 37.183 37.183 38.660 -1.477 17610 3937 1 5 . 1 1 30 30 ILE H H 24 8.115 8.115 7.005 1.110 17610 3938 1 5 . 1 1 31 31 GLN N N 25 117.213 117.213 119.222 -2.009 17610 3939 1 5 . 1 1 31 31 GLN HA H 25 4.539 4.539 4.371 0.168 17610 3940 1 5 . 1 1 31 31 GLN C C 25 176.149 176.149 175.387 0.762 17610 3941 1 5 . 1 1 31 31 GLN CA C 25 55.234 55.234 55.350 -0.116 17610 3942 1 5 . 1 1 31 31 GLN CB C 25 30.184 30.184 28.931 1.253 17610 3943 1 5 . 1 1 31 31 GLN H H 25 8.887 8.887 8.234 0.653 17610 3944 1 5 . 1 1 32 32 ASN N N 26 117.820 117.820 114.474 3.346 17610 3945 1 5 . 1 1 32 32 ASN HA H 26 4.807 4.807 4.374 0.433 17610 3946 1 5 . 1 1 32 32 ASN C C 26 174.051 174.051 174.050 0.001 17610 3947 1 5 . 1 1 32 32 ASN CA C 26 54.310 54.310 54.434 -0.124 17610 3948 1 5 . 1 1 32 32 ASN CB C 26 37.184 37.184 36.066 1.118 17610 3949 1 5 . 1 1 32 32 ASN H H 26 7.982 7.982 8.082 -0.100 17610 3950 1 5 . 1 1 33 33 HIS N N 27 112.968 112.968 115.834 -2.866 17610 3951 1 5 . 1 1 33 33 HIS HA H 27 4.889 4.889 4.716 0.173 17610 3952 1 5 . 1 1 33 33 HIS C C 27 172.514 172.514 174.155 -1.641 17610 3953 1 5 . 1 1 33 33 HIS CA C 27 54.314 54.314 54.489 -0.175 17610 3954 1 5 . 1 1 33 33 HIS CB C 27 32.616 32.616 32.999 -0.383 17610 3955 1 5 . 1 1 33 33 HIS H H 27 6.804 6.804 7.275 -0.471 17610 3956 1 5 . 1 1 34 34 PHE N N 28 123.605 123.605 123.711 -0.106 17610 3957 1 5 . 1 1 34 34 PHE HA H 28 4.914 4.914 4.120 0.794 17610 3958 1 5 . 1 1 34 34 PHE C C 28 174.641 174.641 174.088 0.553 17610 3959 1 5 . 1 1 34 34 PHE CA C 28 55.754 55.754 60.413 -4.659 17610 3960 1 5 . 1 1 34 34 PHE CB C 28 40.573 40.573 39.672 0.902 17610 3961 1 5 . 1 1 34 34 PHE H H 28 8.462 8.462 8.661 -0.199 17610 3962 1 5 . 1 1 35 35 VAL N N 29 126.695 126.695 115.013 11.682 17610 3963 1 5 . 1 1 35 35 VAL HA H 29 3.911 3.911 3.758 0.153 17610 3964 1 5 . 1 1 35 35 VAL C C 29 173.764 173.764 173.956 -0.192 17610 3965 1 5 . 1 1 35 35 VAL CA C 29 61.275 61.275 61.884 -0.609 17610 3966 1 5 . 1 1 35 35 VAL CB C 29 33.154 33.154 32.924 0.230 17610 3967 1 5 . 1 1 35 35 VAL H H 29 7.537 7.537 7.378 0.159 17610 3968 1 5 . 1 1 36 36 ASP N N 30 123.271 123.271 124.610 -1.339 17610 3969 1 5 . 1 1 36 36 ASP HA H 30 4.185 4.185 4.738 -0.553 17610 3970 1 5 . 1 1 36 36 ASP C C 30 176.129 176.129 175.555 0.574 17610 3971 1 5 . 1 1 36 36 ASP CA C 30 54.662 54.662 55.777 -1.115 17610 3972 1 5 . 1 1 36 36 ASP CB C 30 41.323 41.323 41.697 -0.374 17610 3973 1 5 . 1 1 36 36 ASP H H 30 7.618 7.618 8.928 -1.310 17610 3974 1 5 . 1 1 37 37 GLU N N 31 119.730 119.730 121.606 -1.876 17610 3975 1 5 . 1 1 37 37 GLU HA H 31 4.262 4.262 4.340 -0.078 17610 3976 1 5 . 1 1 37 37 GLU C C 31 174.901 174.901 175.106 -0.205 17610 3977 1 5 . 1 1 37 37 GLU CA C 31 56.137 56.137 56.195 -0.058 17610 3978 1 5 . 1 1 37 37 GLU CB C 31 30.459 30.459 27.725 2.734 17610 3979 1 5 . 1 1 37 37 GLU H H 31 7.857 7.857 8.614 -0.757 17610 3980 1 5 . 1 1 38 38 TYR N N 32 123.296 123.296 119.899 3.397 17610 3981 1 5 . 1 1 38 38 TYR HA H 32 4.486 4.486 4.919 -0.433 17610 3982 1 5 . 1 1 38 38 TYR C C 32 174.370 174.370 174.253 0.117 17610 3983 1 5 . 1 1 38 38 TYR CA C 32 57.511 57.511 56.494 1.017 17610 3984 1 5 . 1 1 38 38 TYR CB C 32 39.199 39.199 40.056 -0.857 17610 3985 1 5 . 1 1 38 38 TYR H H 32 8.244 8.244 7.365 0.879 17610 3986 1 5 . 1 1 39 39 ASP N N 33 127.452 127.452 121.951 5.501 17610 3987 1 5 . 1 1 39 39 ASP HA H 33 4.891 4.891 5.010 -0.119 17610 3988 1 5 . 1 1 39 39 ASP CA C 33 51.207 51.207 51.515 -0.308 17610 3989 1 5 . 1 1 39 39 ASP CB C 33 41.837 41.837 43.395 -1.558 17610 3990 1 5 . 1 1 39 39 ASP H H 33 8.158 8.158 8.474 -0.316 17610 3991 1 5 . 1 1 40 40 PRO HA H 34 4.405 4.405 4.506 -0.101 17610 3992 1 5 . 1 1 40 40 PRO C C 34 176.938 176.938 176.214 0.724 17610 3993 1 5 . 1 1 40 40 PRO CA C 34 63.068 63.068 63.315 -0.247 17610 3994 1 5 . 1 1 40 40 PRO CB C 34 32.089 32.089 31.613 0.477 17610 3995 1 5 . 1 1 41 41 SER N N 35 117.575 117.575 117.015 0.560 17610 3996 1 5 . 1 1 41 41 SER HA H 35 4.433 4.433 4.114 0.319 17610 3997 1 5 . 1 1 41 41 SER C C 35 174.777 174.777 173.544 1.233 17610 3998 1 5 . 1 1 41 41 SER CA C 35 58.346 58.346 59.253 -0.907 17610 3999 1 5 . 1 1 41 41 SER CB C 35 63.704 63.704 62.114 1.590 17610 4000 1 5 . 1 1 41 41 SER H H 35 8.495 8.495 8.361 0.134 17610 4001 1 5 . 1 1 42 42 ILE N N 36 123.018 123.018 118.981 4.037 17610 4002 1 5 . 1 1 42 42 ILE HA H 36 4.219 4.219 4.505 -0.286 17610 4003 1 5 . 1 1 42 42 ILE C C 36 175.966 175.966 174.082 1.884 17610 4004 1 5 . 1 1 42 42 ILE CA C 36 61.665 61.665 59.447 2.219 17610 4005 1 5 . 1 1 42 42 ILE CB C 36 38.745 38.745 40.959 -2.214 17610 4006 1 5 . 1 1 42 42 ILE H H 36 7.919 7.919 7.996 -0.077 17610 4007 1 5 . 1 1 43 43 GLU N N 37 124.699 124.699 119.638 5.061 17610 4008 1 5 . 1 1 43 43 GLU HA H 37 4.381 4.381 4.336 0.045 17610 4009 1 5 . 1 1 43 43 GLU C C 37 179.069 179.069 175.560 3.509 17610 4010 1 5 . 1 1 43 43 GLU CA C 37 56.223 56.223 55.604 0.619 17610 4011 1 5 . 1 1 43 43 GLU CB C 37 30.616 30.616 30.455 0.161 17610 4012 1 5 . 1 1 43 43 GLU H H 37 8.201 8.201 8.464 -0.263 17610 4013 1 5 . 1 1 44 44 ASP N N 38 121.902 121.902 120.512 1.390 17610 4014 1 5 . 1 1 44 44 ASP HA H 38 4.622 4.622 4.527 0.095 17610 4015 1 5 . 1 1 44 44 ASP C C 38 174.634 174.634 175.697 -1.063 17610 4016 1 5 . 1 1 44 44 ASP CA C 38 54.095 54.095 53.294 0.801 17610 4017 1 5 . 1 1 44 44 ASP CB C 38 41.837 41.837 38.830 3.007 17610 4018 1 5 . 1 1 44 44 ASP H H 38 8.094 8.094 8.142 -0.048 17610 4019 1 5 . 1 1 45 45 SER N N 39 114.779 114.779 114.595 0.184 17610 4020 1 5 . 1 1 45 45 SER HA H 39 4.923 4.923 4.046 0.877 17610 4021 1 5 . 1 1 45 45 SER C C 39 173.339 173.339 173.879 -0.540 17610 4022 1 5 . 1 1 45 45 SER CA C 39 57.023 57.023 59.332 -2.309 17610 4023 1 5 . 1 1 45 45 SER CB C 39 64.751 64.751 63.972 0.779 17610 4024 1 5 . 1 1 45 45 SER H H 39 7.792 7.792 7.619 0.173 17610 4025 1 5 . 1 1 46 46 TYR N N 40 124.235 124.235 120.805 3.430 17610 4026 1 5 . 1 1 46 46 TYR HA H 40 4.662 4.662 4.695 -0.033 17610 4027 1 5 . 1 1 46 46 TYR C C 40 173.910 173.910 174.973 -1.063 17610 4028 1 5 . 1 1 46 46 TYR CA C 40 56.944 56.944 56.800 0.144 17610 4029 1 5 . 1 1 46 46 TYR CB C 40 41.323 41.323 40.608 0.715 17610 4030 1 5 . 1 1 46 46 TYR H H 40 8.976 8.976 8.255 0.721 17610 4031 1 5 . 1 1 47 47 ARG N N 41 121.906 121.906 121.430 0.476 17610 4032 1 5 . 1 1 47 47 ARG HA H 41 5.802 5.802 4.986 0.816 17610 4033 1 5 . 1 1 47 47 ARG C C 41 176.150 176.150 174.974 1.176 17610 4034 1 5 . 1 1 47 47 ARG CA C 41 54.129 54.129 55.075 -0.946 17610 4035 1 5 . 1 1 47 47 ARG CB C 41 34.105 34.105 31.700 2.405 17610 4036 1 5 . 1 1 47 47 ARG H H 41 8.238 8.238 8.622 -0.384 17610 4037 1 5 . 1 1 48 48 LYS N N 42 123.924 123.924 124.909 -0.985 17610 4038 1 5 . 1 1 48 48 LYS HA H 42 4.508 4.508 4.581 -0.073 17610 4039 1 5 . 1 1 48 48 LYS C C 42 173.710 173.710 174.776 -1.066 17610 4040 1 5 . 1 1 48 48 LYS CA C 42 55.651 55.651 54.390 1.261 17610 4041 1 5 . 1 1 48 48 LYS CB C 42 38.139 38.139 35.812 2.327 17610 4042 1 5 . 1 1 48 48 LYS H H 42 8.705 8.705 8.307 0.398 17610 4043 1 5 . 1 1 49 49 GLN N N 43 130.301 130.301 126.430 3.871 17610 4044 1 5 . 1 1 49 49 GLN HA H 43 5.230 5.230 4.495 0.735 17610 4045 1 5 . 1 1 49 49 GLN C C 43 175.254 175.254 175.008 0.246 17610 4046 1 5 . 1 1 49 49 GLN CA C 43 55.496 55.496 55.404 0.092 17610 4047 1 5 . 1 1 49 49 GLN CB C 43 29.892 29.892 29.706 0.186 17610 4048 1 5 . 1 1 49 49 GLN H H 43 8.897 8.897 8.668 0.229 17610 4049 1 5 . 1 1 50 50 VAL N N 44 122.354 122.354 121.426 0.928 17610 4050 1 5 . 1 1 50 50 VAL HA H 44 4.772 4.772 4.687 0.085 17610 4051 1 5 . 1 1 50 50 VAL C C 44 173.116 173.116 173.393 -0.277 17610 4052 1 5 . 1 1 50 50 VAL CA C 44 59.238 59.238 59.161 0.077 17610 4053 1 5 . 1 1 50 50 VAL CB C 44 35.888 35.888 35.789 0.099 17610 4054 1 5 . 1 1 50 50 VAL H H 44 9.104 9.104 8.499 0.605 17610 4055 1 5 . 1 1 51 51 VAL N N 45 122.385 122.385 120.094 2.291 17610 4056 1 5 . 1 1 51 51 VAL HA H 45 4.462 4.462 4.540 -0.078 17610 4057 1 5 . 1 1 51 51 VAL C C 45 175.450 175.450 175.708 -0.258 17610 4058 1 5 . 1 1 51 51 VAL CA C 45 61.832 61.832 60.997 0.835 17610 4059 1 5 . 1 1 51 51 VAL CB C 45 32.228 32.228 31.876 0.352 17610 4060 1 5 . 1 1 51 51 VAL H H 45 8.100 8.100 8.377 -0.277 17610 4061 1 5 . 1 1 52 52 ILE N N 46 126.953 126.953 128.954 -2.001 17610 4062 1 5 . 1 1 52 52 ILE HA H 46 3.995 3.995 3.930 0.065 17610 4063 1 5 . 1 1 52 52 ILE C C 46 176.424 176.424 176.384 0.040 17610 4064 1 5 . 1 1 52 52 ILE CA C 46 60.343 60.343 60.135 0.208 17610 4065 1 5 . 1 1 52 52 ILE CB C 46 40.096 40.096 35.832 4.264 17610 4066 1 5 . 1 1 52 52 ILE H H 46 8.118 8.118 8.817 -0.699 17610 4067 1 5 . 1 1 53 53 ASP N N 47 132.206 132.206 128.411 3.795 17610 4068 1 5 . 1 1 53 53 ASP HA H 47 4.267 4.267 4.212 0.055 17610 4069 1 5 . 1 1 53 53 ASP C C 47 176.121 176.121 176.296 -0.175 17610 4070 1 5 . 1 1 53 53 ASP CA C 47 55.267 55.267 55.153 0.114 17610 4071 1 5 . 1 1 53 53 ASP CB C 47 39.203 39.203 40.092 -0.889 17610 4072 1 5 . 1 1 53 53 ASP H H 47 9.605 9.605 8.861 0.744 17610 4073 1 5 . 1 1 54 54 GLY N N 48 104.275 104.275 104.699 -0.424 17610 4074 1 5 . 1 1 54 54 GLY C C 48 173.219 173.219 173.881 -0.662 17610 4075 1 5 . 1 1 54 54 GLY CA C 48 45.318 45.318 44.906 0.412 17610 4076 1 5 . 1 1 54 54 GLY H H 48 8.332 8.332 7.915 0.417 17610 4077 1 5 . 1 1 55 55 GLU N N 49 123.384 123.384 124.323 -0.939 17610 4078 1 5 . 1 1 55 55 GLU HA H 49 4.691 4.691 4.345 0.346 17610 4079 1 5 . 1 1 55 55 GLU C C 49 175.614 175.614 175.788 -0.174 17610 4080 1 5 . 1 1 55 55 GLU CA C 49 54.719 54.719 55.442 -0.723 17610 4081 1 5 . 1 1 55 55 GLU CB C 49 31.803 31.803 30.017 1.786 17610 4082 1 5 . 1 1 55 55 GLU H H 49 7.684 7.684 7.899 -0.215 17610 4083 1 5 . 1 1 56 56 THR N N 50 127.153 127.153 123.679 3.474 17610 4084 1 5 . 1 1 56 56 THR HA H 50 4.727 4.727 4.774 -0.047 17610 4085 1 5 . 1 1 56 56 THR C C 50 173.530 173.530 174.202 -0.672 17610 4086 1 5 . 1 1 56 56 THR CA C 50 63.521 63.521 63.757 -0.236 17610 4087 1 5 . 1 1 56 56 THR CB C 50 68.478 68.478 69.047 -0.569 17610 4088 1 5 . 1 1 56 56 THR H H 50 8.951 8.951 8.413 0.538 17610 4089 1 5 . 1 1 57 57 CYS N N 51 124.835 124.835 123.886 0.949 17610 4090 1 5 . 1 1 57 57 CYS HA H 51 5.086 5.086 4.784 0.302 17610 4091 1 5 . 1 1 57 57 CYS C C 51 170.937 170.937 172.860 -1.923 17610 4092 1 5 . 1 1 57 57 CYS CA C 51 56.423 56.423 57.828 -1.405 17610 4093 1 5 . 1 1 57 57 CYS CB C 51 31.549 31.549 31.901 -0.352 17610 4094 1 5 . 1 1 57 57 CYS H H 51 9.424 9.424 8.766 0.658 17610 4095 1 5 . 1 1 58 58 LEU N N 52 123.111 123.111 122.041 1.070 17610 4096 1 5 . 1 1 58 58 LEU HA H 52 4.943 4.943 4.738 0.205 17610 4097 1 5 . 1 1 58 58 LEU C C 52 175.044 175.044 175.886 -0.842 17610 4098 1 5 . 1 1 58 58 LEU CA C 52 53.372 53.372 54.625 -1.253 17610 4099 1 5 . 1 1 58 58 LEU CB C 52 44.304 44.304 43.416 0.888 17610 4100 1 5 . 1 1 58 58 LEU H H 52 8.803 8.803 8.958 -0.155 17610 4101 1 5 . 1 1 59 59 LEU N N 53 124.540 124.540 123.655 0.885 17610 4102 1 5 . 1 1 59 59 LEU HA H 53 4.888 4.888 4.679 0.209 17610 4103 1 5 . 1 1 59 59 LEU C C 53 174.358 174.358 174.943 -0.585 17610 4104 1 5 . 1 1 59 59 LEU CA C 53 53.490 53.490 54.014 -0.524 17610 4105 1 5 . 1 1 59 59 LEU CB C 53 42.195 42.195 43.045 -0.850 17610 4106 1 5 . 1 1 59 59 LEU H H 53 9.054 9.054 9.244 -0.190 17610 4107 1 5 . 1 1 60 60 ASP N N 54 126.666 126.666 126.247 0.419 17610 4108 1 5 . 1 1 60 60 ASP HA H 54 5.225 5.225 5.297 -0.072 17610 4109 1 5 . 1 1 60 60 ASP C C 54 174.846 174.846 175.331 -0.485 17610 4110 1 5 . 1 1 60 60 ASP CA C 54 53.040 53.040 53.308 -0.268 17610 4111 1 5 . 1 1 60 60 ASP CB C 54 42.622 42.622 41.668 0.954 17610 4112 1 5 . 1 1 60 60 ASP H H 54 8.739 8.739 8.989 -0.250 17610 4113 1 5 . 1 1 61 61 ILE N N 55 125.100 125.100 125.184 -0.084 17610 4114 1 5 . 1 1 61 61 ILE HA H 55 4.690 4.690 4.276 0.414 17610 4115 1 5 . 1 1 61 61 ILE C C 55 174.745 174.745 174.898 -0.153 17610 4116 1 5 . 1 1 61 61 ILE CA C 55 60.331 60.331 58.845 1.486 17610 4117 1 5 . 1 1 61 61 ILE CB C 55 39.682 39.682 36.960 2.722 17610 4118 1 5 . 1 1 61 61 ILE H H 55 9.115 9.115 8.907 0.208 17610 4119 1 5 . 1 1 62 62 LEU N N 56 131.208 131.208 130.006 1.202 17610 4120 1 5 . 1 1 62 62 LEU HA H 56 4.667 4.667 4.531 0.136 17610 4121 1 5 . 1 1 62 62 LEU C C 56 174.063 174.063 174.560 -0.497 17610 4122 1 5 . 1 1 62 62 LEU CA C 56 53.795 53.795 54.111 -0.316 17610 4123 1 5 . 1 1 62 62 LEU CB C 56 42.256 42.256 43.915 -1.659 17610 4124 1 5 . 1 1 62 62 LEU H H 56 9.014 9.014 8.253 0.761 17610 4125 1 5 . 1 1 63 63 ASP N N 57 128.415 128.415 125.179 3.236 17610 4126 1 5 . 1 1 63 63 ASP HA H 57 4.783 4.783 4.789 -0.006 17610 4127 1 5 . 1 1 63 63 ASP C C 57 176.341 176.341 175.507 0.834 17610 4128 1 5 . 1 1 63 63 ASP CA C 57 52.988 52.988 52.193 0.795 17610 4129 1 5 . 1 1 63 63 ASP CB C 57 41.837 41.837 41.328 0.509 17610 4130 1 5 . 1 1 63 63 ASP H H 57 8.657 8.657 8.450 0.207 17610 4131 1 5 . 1 1 64 64 THR N N 58 114.950 114.950 114.851 0.099 17610 4132 1 5 . 1 1 64 64 THR HA H 58 4.425 4.425 4.413 0.012 17610 4133 1 5 . 1 1 64 64 THR C C 58 172.734 172.734 174.819 -2.085 17610 4134 1 5 . 1 1 64 64 THR CA C 58 61.488 61.488 60.340 1.148 17610 4135 1 5 . 1 1 64 64 THR CB C 58 71.398 71.398 69.928 1.470 17610 4136 1 5 . 1 1 64 64 THR H H 58 7.369 7.369 7.956 -0.587 17610 4137 1 5 . 1 1 65 65 ALA N N 59 123.940 123.940 120.982 2.958 17610 4138 1 5 . 1 1 65 65 ALA HA H 59 4.764 4.764 4.678 0.086 17610 4139 1 5 . 1 1 65 65 ALA C C 59 179.480 179.480 177.318 2.162 17610 4140 1 5 . 1 1 65 65 ALA CA C 59 51.422 51.422 51.328 0.094 17610 4141 1 5 . 1 1 65 65 ALA CB C 59 20.796 20.796 21.517 -0.721 17610 4142 1 5 . 1 1 65 65 ALA H H 59 8.329 8.329 8.169 0.160 17610 4143 1 5 . 1 1 66 66 GLY N N 60 112.527 112.527 107.869 4.658 17610 4144 1 5 . 1 1 66 66 GLY C C 60 174.938 174.938 174.015 0.923 17610 4145 1 5 . 1 1 66 66 GLY CA C 60 46.057 46.057 44.793 1.264 17610 4146 1 5 . 1 1 66 66 GLY H H 60 9.397 9.397 8.756 0.641 17610 4147 1 5 . 1 1 67 67 GLN N N 61 120.877 120.877 118.667 2.210 17610 4148 1 5 . 1 1 67 67 GLN HA H 61 4.422 4.422 4.566 -0.144 17610 4149 1 5 . 1 1 67 67 GLN C C 61 176.298 176.298 175.095 1.203 17610 4150 1 5 . 1 1 67 67 GLN CA C 61 56.355 56.355 54.754 1.601 17610 4151 1 5 . 1 1 67 67 GLN CB C 61 29.438 29.438 31.317 -1.879 17610 4152 1 5 . 1 1 67 67 GLN H H 61 8.237 8.237 7.657 0.580 17610 4153 1 5 . 1 1 68 68 GLU N N 62 123.751 123.751 116.962 6.789 17610 4154 1 5 . 1 1 68 68 GLU HA H 62 4.208 4.208 4.071 0.137 17610 4155 1 5 . 1 1 68 68 GLU C C 62 177.032 177.032 174.947 2.085 17610 4156 1 5 . 1 1 68 68 GLU CA C 62 57.801 57.801 56.902 0.899 17610 4157 1 5 . 1 1 68 68 GLU CB C 62 29.834 29.834 28.919 0.915 17610 4158 1 5 . 1 1 68 68 GLU H H 62 8.738 8.738 8.739 -0.001 17610 4159 1 5 . 1 1 69 69 GLU N N 63 121.861 121.861 115.690 6.171 17610 4160 1 5 . 1 1 69 69 GLU HA H 63 4.228 4.228 4.034 0.194 17610 4161 1 5 . 1 1 69 69 GLU C C 63 176.145 176.145 174.676 1.469 17610 4162 1 5 . 1 1 69 69 GLU CA C 63 57.026 57.026 56.938 0.089 17610 4163 1 5 . 1 1 69 69 GLU CB C 63 30.231 30.231 28.401 1.830 17610 4164 1 5 . 1 1 69 69 GLU H H 63 8.607 8.607 8.423 0.184 17610 4165 1 5 . 1 1 70 70 TYR N N 64 121.801 121.801 121.850 -0.049 17610 4166 1 5 . 1 1 70 70 TYR HA H 64 4.587 4.587 4.672 -0.085 17610 4167 1 5 . 1 1 70 70 TYR C C 64 175.965 175.965 174.879 1.086 17610 4168 1 5 . 1 1 70 70 TYR CA C 64 58.160 58.160 57.774 0.386 17610 4169 1 5 . 1 1 70 70 TYR CB C 64 38.288 38.288 40.258 -1.970 17610 4170 1 5 . 1 1 70 70 TYR H H 64 8.225 8.225 8.443 -0.218 17610 4171 1 5 . 1 1 71 71 SER N N 65 120.137 120.137 120.737 -0.600 17610 4172 1 5 . 1 1 71 71 SER HA H 65 4.269 4.269 4.503 -0.234 17610 4173 1 5 . 1 1 71 71 SER C C 65 174.912 174.912 175.507 -0.595 17610 4174 1 5 . 1 1 71 71 SER CA C 65 58.755 58.755 58.564 0.191 17610 4175 1 5 . 1 1 71 71 SER CB C 65 63.755 63.755 64.301 -0.546 17610 4176 1 5 . 1 1 71 71 SER H H 65 7.884 7.884 8.814 -0.930 17610 4177 1 5 . 1 1 72 72 ALA N N 66 127.848 127.848 126.805 1.043 17610 4178 1 5 . 1 1 72 72 ALA HA H 66 4.193 4.193 4.054 0.139 17610 4179 1 5 . 1 1 72 72 ALA C C 66 179.820 179.820 179.578 0.242 17610 4180 1 5 . 1 1 72 72 ALA CA C 66 54.595 54.595 54.953 -0.358 17610 4181 1 5 . 1 1 72 72 ALA CB C 66 18.264 18.264 18.170 0.094 17610 4182 1 5 . 1 1 72 72 ALA H H 66 8.706 8.706 8.624 0.082 17610 4183 1 5 . 1 1 73 73 MET N N 67 118.448 118.448 116.439 2.009 17610 4184 1 5 . 1 1 73 73 MET HA H 67 4.271 4.271 3.950 0.321 17610 4185 1 5 . 1 1 73 73 MET C C 67 177.098 177.098 177.646 -0.548 17610 4186 1 5 . 1 1 73 73 MET CA C 67 56.915 56.915 58.376 -1.461 17610 4187 1 5 . 1 1 73 73 MET CB C 67 32.031 32.031 32.151 -0.120 17610 4188 1 5 . 1 1 73 73 MET H H 67 8.007 8.007 8.206 -0.199 17610 4189 1 5 . 1 1 74 74 ARG N N 68 121.351 121.351 120.066 1.285 17610 4190 1 5 . 1 1 74 74 ARG HA H 68 3.793 3.793 4.047 -0.254 17610 4191 1 5 . 1 1 74 74 ARG C C 68 177.730 177.730 178.607 -0.877 17610 4192 1 5 . 1 1 74 74 ARG CA C 68 59.093 59.093 59.646 -0.553 17610 4193 1 5 . 1 1 74 74 ARG CB C 68 30.118 30.118 29.851 0.267 17610 4194 1 5 . 1 1 74 74 ARG H H 68 7.761 7.761 8.258 -0.497 17610 4195 1 5 . 1 1 75 75 ASP N N 69 119.938 119.938 118.476 1.462 17610 4196 1 5 . 1 1 75 75 ASP HA H 69 4.286 4.286 4.459 -0.173 17610 4197 1 5 . 1 1 75 75 ASP C C 69 177.998 177.998 178.051 -0.053 17610 4198 1 5 . 1 1 75 75 ASP CA C 69 57.555 57.555 57.136 0.419 17610 4199 1 5 . 1 1 75 75 ASP CB C 69 40.401 40.401 40.218 0.183 17610 4200 1 5 . 1 1 75 75 ASP H H 69 8.077 8.077 8.255 -0.178 17610 4201 1 5 . 1 1 76 76 GLN N N 70 119.151 119.151 120.277 -1.126 17610 4202 1 5 . 1 1 76 76 GLN HA H 70 4.050 4.050 3.959 0.091 17610 4203 1 5 . 1 1 76 76 GLN C C 70 178.837 178.837 178.515 0.322 17610 4204 1 5 . 1 1 76 76 GLN CA C 70 58.920 58.920 59.040 -0.120 17610 4205 1 5 . 1 1 76 76 GLN CB C 70 28.063 28.063 28.349 -0.286 17610 4206 1 5 . 1 1 76 76 GLN H H 70 7.789 7.789 7.299 0.490 17610 4207 1 5 . 1 1 77 77 TYR N N 71 119.847 119.847 117.666 2.181 17610 4208 1 5 . 1 1 77 77 TYR HA H 71 4.548 4.548 4.434 0.114 17610 4209 1 5 . 1 1 77 77 TYR C C 71 178.680 178.680 178.684 -0.004 17610 4210 1 5 . 1 1 77 77 TYR CA C 71 58.785 58.785 59.549 -0.764 17610 4211 1 5 . 1 1 77 77 TYR CB C 71 36.986 36.986 37.896 -0.910 17610 4212 1 5 . 1 1 77 77 TYR H H 71 8.131 8.131 7.353 0.778 17610 4213 1 5 . 1 1 78 78 MET N N 72 119.987 119.987 119.345 0.642 17610 4214 1 5 . 1 1 78 78 MET HA H 72 4.402 4.402 4.481 -0.079 17610 4215 1 5 . 1 1 78 78 MET C C 72 177.008 177.008 178.702 -1.694 17610 4216 1 5 . 1 1 78 78 MET CA C 72 59.028 59.028 59.807 -0.779 17610 4217 1 5 . 1 1 78 78 MET CB C 72 32.709 32.709 32.285 0.424 17610 4218 1 5 . 1 1 78 78 MET H H 72 8.380 8.380 7.600 0.780 17610 4219 1 5 . 1 1 79 79 ARG N N 73 117.792 117.792 116.386 1.406 17610 4220 1 5 . 1 1 79 79 ARG HA H 73 3.914 3.914 4.149 -0.235 17610 4221 1 5 . 1 1 79 79 ARG C C 73 178.169 178.169 178.110 0.059 17610 4222 1 5 . 1 1 79 79 ARG CA C 73 59.493 59.493 59.263 0.230 17610 4223 1 5 . 1 1 79 79 ARG CB C 73 30.100 30.100 30.271 -0.171 17610 4224 1 5 . 1 1 79 79 ARG H H 73 7.992 7.992 7.852 0.140 17610 4225 1 5 . 1 1 80 80 THR N N 74 110.012 110.012 107.553 2.459 17610 4226 1 5 . 1 1 80 80 THR HA H 74 4.242 4.242 4.509 -0.267 17610 4227 1 5 . 1 1 80 80 THR C C 74 175.640 175.640 174.041 1.599 17610 4228 1 5 . 1 1 80 80 THR CA C 74 62.863 62.863 61.034 1.829 17610 4229 1 5 . 1 1 80 80 THR CB C 74 69.808 69.808 69.042 0.766 17610 4230 1 5 . 1 1 80 80 THR H H 74 7.718 7.718 7.478 0.240 17610 4231 1 5 . 1 1 81 81 GLY N N 75 109.297 109.297 109.960 -0.663 17610 4232 1 5 . 1 1 81 81 GLY C C 75 172.419 172.419 173.712 -1.293 17610 4233 1 5 . 1 1 81 81 GLY CA C 75 46.504 46.504 44.068 2.436 17610 4234 1 5 . 1 1 81 81 GLY H H 75 7.852 7.852 7.984 -0.133 17610 4235 1 5 . 1 1 82 82 GLU N N 76 122.399 122.399 124.041 -1.642 17610 4236 1 5 . 1 1 82 82 GLU HA H 76 4.523 4.523 4.074 0.449 17610 4237 1 5 . 1 1 82 82 GLU C C 76 176.409 176.409 176.242 0.167 17610 4238 1 5 . 1 1 82 82 GLU CA C 76 56.469 56.469 58.869 -2.400 17610 4239 1 5 . 1 1 82 82 GLU CB C 76 32.049 32.049 30.266 1.783 17610 4240 1 5 . 1 1 82 82 GLU H H 76 8.879 8.879 8.124 0.755 17610 4241 1 5 . 1 1 83 83 GLY N N 77 102.282 102.282 102.991 -0.709 17610 4242 1 5 . 1 1 83 83 GLY C C 77 170.803 170.803 171.928 -1.125 17610 4243 1 5 . 1 1 83 83 GLY CA C 77 45.453 45.453 44.588 0.865 17610 4244 1 5 . 1 1 83 83 GLY H H 77 7.192 7.192 7.175 0.017 17610 4245 1 5 . 1 1 84 84 PHE N N 78 122.648 122.648 116.609 6.039 17610 4246 1 5 . 1 1 84 84 PHE HA H 78 5.448 5.448 5.368 0.080 17610 4247 1 5 . 1 1 84 84 PHE C C 78 173.734 173.734 173.879 -0.145 17610 4248 1 5 . 1 1 84 84 PHE CA C 78 57.065 57.065 57.427 -0.362 17610 4249 1 5 . 1 1 84 84 PHE CB C 78 42.997 42.997 44.069 -1.072 17610 4250 1 5 . 1 1 84 84 PHE H H 78 8.224 8.224 8.140 0.084 17610 4251 1 5 . 1 1 85 85 LEU N N 79 127.298 127.298 122.884 4.414 17610 4252 1 5 . 1 1 85 85 LEU HA H 79 4.690 4.690 5.257 -0.567 17610 4253 1 5 . 1 1 85 85 LEU C C 79 174.690 174.690 175.085 -0.395 17610 4254 1 5 . 1 1 85 85 LEU CA C 79 53.981 53.981 53.971 0.010 17610 4255 1 5 . 1 1 85 85 LEU CB C 79 43.058 43.058 46.158 -3.100 17610 4256 1 5 . 1 1 85 85 LEU H H 79 9.189 9.189 8.770 0.419 17610 4257 1 5 . 1 1 86 86 CYS N N 80 125.581 125.581 127.024 -1.443 17610 4258 1 5 . 1 1 86 86 CYS HA H 80 4.689 4.689 4.684 0.005 17610 4259 1 5 . 1 1 86 86 CYS C C 80 172.664 172.664 173.552 -0.888 17610 4260 1 5 . 1 1 86 86 CYS CA C 80 57.767 57.767 58.824 -1.057 17610 4261 1 5 . 1 1 86 86 CYS CB C 80 27.397 27.397 27.864 -0.467 17610 4262 1 5 . 1 1 86 86 CYS H H 80 8.720 8.720 9.289 -0.569 17610 4263 1 5 . 1 1 87 87 VAL N N 81 127.252 127.252 127.107 0.145 17610 4264 1 5 . 1 1 87 87 VAL HA H 81 4.983 4.983 4.629 0.354 17610 4265 1 5 . 1 1 87 87 VAL C C 81 175.119 175.119 174.840 0.279 17610 4266 1 5 . 1 1 87 87 VAL CA C 81 61.275 61.275 61.877 -0.601 17610 4267 1 5 . 1 1 87 87 VAL CB C 81 33.407 33.407 32.437 0.970 17610 4268 1 5 . 1 1 87 87 VAL H H 81 9.028 9.028 8.644 0.384 17610 4269 1 5 . 1 1 88 88 PHE N N 82 125.157 125.157 125.902 -0.745 17610 4270 1 5 . 1 1 88 88 PHE HA H 82 4.992 4.992 5.163 -0.171 17610 4271 1 5 . 1 1 88 88 PHE C C 82 171.162 171.162 172.903 -1.741 17610 4272 1 5 . 1 1 88 88 PHE CA C 82 55.349 55.349 55.441 -0.092 17610 4273 1 5 . 1 1 88 88 PHE CB C 82 40.430 40.430 42.432 -2.002 17610 4274 1 5 . 1 1 88 88 PHE H H 82 9.306 9.306 8.610 0.696 17610 4275 1 5 . 1 1 89 89 ALA N N 83 122.321 122.321 124.937 -2.616 17610 4276 1 5 . 1 1 89 89 ALA HA H 83 5.082 5.082 4.542 0.540 17610 4277 1 5 . 1 1 89 89 ALA C C 83 179.267 179.267 178.577 0.690 17610 4278 1 5 . 1 1 89 89 ALA CA C 83 49.635 49.635 49.803 -0.168 17610 4279 1 5 . 1 1 89 89 ALA CB C 83 21.739 21.739 19.587 2.152 17610 4280 1 5 . 1 1 89 89 ALA H H 83 8.692 8.692 8.260 0.432 17610 4281 1 5 . 1 1 90 90 ILE N N 84 114.459 114.459 120.955 -6.496 17610 4282 1 5 . 1 1 90 90 ILE HA H 84 4.054 4.054 3.454 0.600 17610 4283 1 5 . 1 1 90 90 ILE C C 84 174.164 174.164 176.765 -2.601 17610 4284 1 5 . 1 1 90 90 ILE CA C 84 63.169 63.169 64.190 -1.021 17610 4285 1 5 . 1 1 90 90 ILE CB C 84 38.174 38.174 37.602 0.572 17610 4286 1 5 . 1 1 90 90 ILE H H 84 8.461 8.461 7.563 0.898 17610 4287 1 5 . 1 1 91 91 ASN N N 85 118.240 118.240 117.011 1.229 17610 4288 1 5 . 1 1 91 91 ASN HA H 85 5.049 5.049 4.683 0.366 17610 4289 1 5 . 1 1 91 91 ASN C C 85 174.583 174.583 174.410 0.173 17610 4290 1 5 . 1 1 91 91 ASN CA C 85 52.161 52.161 53.389 -1.228 17610 4291 1 5 . 1 1 91 91 ASN CB C 85 38.132 38.132 38.782 -0.651 17610 4292 1 5 . 1 1 91 91 ASN H H 85 7.906 7.906 8.447 -0.541 17610 4293 1 5 . 1 1 92 92 ASN N N 86 120.345 120.345 118.584 1.761 17610 4294 1 5 . 1 1 92 92 ASN HA H 86 5.080 5.080 5.014 0.066 17610 4295 1 5 . 1 1 92 92 ASN C C 86 175.090 175.090 175.277 -0.187 17610 4296 1 5 . 1 1 92 92 ASN CA C 86 52.041 52.041 52.198 -0.157 17610 4297 1 5 . 1 1 92 92 ASN CB C 86 39.203 39.203 39.673 -0.470 17610 4298 1 5 . 1 1 92 92 ASN H H 86 7.931 7.931 7.900 0.031 17610 4299 1 5 . 1 1 93 93 THR N N 87 125.665 125.665 120.662 5.003 17610 4300 1 5 . 1 1 93 93 THR HA H 87 3.772 3.772 4.163 -0.391 17610 4301 1 5 . 1 1 93 93 THR C C 87 176.012 176.012 175.810 0.202 17610 4302 1 5 . 1 1 93 93 THR CA C 87 66.753 66.753 66.430 0.323 17610 4303 1 5 . 1 1 93 93 THR CB C 87 68.400 68.400 69.144 -0.744 17610 4304 1 5 . 1 1 93 93 THR H H 87 9.272 9.272 8.889 0.383 17610 4305 1 5 . 1 1 94 94 LYS N N 88 125.404 125.404 121.543 3.861 17610 4306 1 5 . 1 1 94 94 LYS HA H 88 4.186 4.186 4.039 0.147 17610 4307 1 5 . 1 1 94 94 LYS C C 88 178.027 178.027 178.200 -0.173 17610 4308 1 5 . 1 1 94 94 LYS CA C 88 59.359 59.359 59.895 -0.536 17610 4309 1 5 . 1 1 94 94 LYS CB C 88 31.292 31.292 32.215 -0.923 17610 4310 1 5 . 1 1 94 94 LYS H H 88 8.456 8.456 7.923 0.533 17610 4311 1 5 . 1 1 95 95 SER N N 89 115.491 115.491 115.667 -0.176 17610 4312 1 5 . 1 1 95 95 SER HA H 89 4.188 4.188 4.581 -0.393 17610 4313 1 5 . 1 1 95 95 SER C C 89 175.751 175.751 176.780 -1.029 17610 4314 1 5 . 1 1 95 95 SER CA C 89 61.751 61.751 61.808 -0.057 17610 4315 1 5 . 1 1 95 95 SER CB C 89 63.530 63.530 62.966 0.564 17610 4316 1 5 . 1 1 95 95 SER H H 89 7.970 7.970 7.719 0.251 17610 4317 1 5 . 1 1 96 96 PHE N N 90 125.899 125.899 123.286 2.613 17610 4318 1 5 . 1 1 96 96 PHE HA H 90 4.037 4.037 4.033 0.004 17610 4319 1 5 . 1 1 96 96 PHE C C 90 177.267 177.267 176.931 0.336 17610 4320 1 5 . 1 1 96 96 PHE CA C 90 59.688 59.688 60.542 -0.854 17610 4321 1 5 . 1 1 96 96 PHE CB C 90 40.175 40.175 38.883 1.292 17610 4322 1 5 . 1 1 96 96 PHE H H 90 7.419 7.419 7.904 -0.485 17610 4323 1 5 . 1 1 97 97 GLU N N 91 122.834 122.834 117.434 5.400 17610 4324 1 5 . 1 1 97 97 GLU HA H 91 3.787 3.787 3.625 0.162 17610 4325 1 5 . 1 1 97 97 GLU C C 91 179.628 179.628 178.543 1.085 17610 4326 1 5 . 1 1 97 97 GLU CA C 91 59.004 59.004 59.342 -0.338 17610 4327 1 5 . 1 1 97 97 GLU CB C 91 29.261 29.261 29.211 0.050 17610 4328 1 5 . 1 1 97 97 GLU H H 91 8.449 8.449 7.778 0.671 17610 4329 1 5 . 1 1 98 98 ASP N N 92 118.617 118.617 119.132 -0.515 17610 4330 1 5 . 1 1 98 98 ASP HA H 92 4.553 4.553 4.366 0.187 17610 4331 1 5 . 1 1 98 98 ASP C C 92 177.582 177.582 178.365 -0.783 17610 4332 1 5 . 1 1 98 98 ASP CA C 92 56.171 56.171 56.728 -0.557 17610 4333 1 5 . 1 1 98 98 ASP CB C 92 41.184 41.184 40.183 1.001 17610 4334 1 5 . 1 1 98 98 ASP H H 92 8.492 8.492 7.841 0.651 17610 4335 1 5 . 1 1 99 99 ILE N N 93 121.939 121.939 118.458 3.481 17610 4336 1 5 . 1 1 99 99 ILE HA H 93 3.954 3.954 4.054 -0.100 17610 4337 1 5 . 1 1 99 99 ILE C C 93 177.442 177.442 177.791 -0.349 17610 4338 1 5 . 1 1 99 99 ILE CA C 93 62.370 62.370 62.736 -0.366 17610 4339 1 5 . 1 1 99 99 ILE CB C 93 34.570 34.570 36.602 -2.032 17610 4340 1 5 . 1 1 99 99 ILE H H 93 7.583 7.583 7.648 -0.065 17610 4341 1 5 . 1 1 100 100 HIS N N 94 118.387 118.387 119.641 -1.254 17610 4342 1 5 . 1 1 100 100 HIS HA H 94 4.273 4.273 4.527 -0.254 17610 4343 1 5 . 1 1 100 100 HIS C C 94 177.345 177.345 177.161 0.184 17610 4344 1 5 . 1 1 100 100 HIS CA C 94 60.090 60.090 59.901 0.189 17610 4345 1 5 . 1 1 100 100 HIS CB C 94 30.512 30.512 30.313 0.199 17610 4346 1 5 . 1 1 100 100 HIS H H 94 7.799 7.799 7.400 0.399 17610 4347 1 5 . 1 1 101 101 GLN N N 95 117.673 117.673 118.374 -0.701 17610 4348 1 5 . 1 1 101 101 GLN HA H 95 3.941 3.941 4.291 -0.350 17610 4349 1 5 . 1 1 101 101 GLN C C 95 179.155 179.155 178.280 0.875 17610 4350 1 5 . 1 1 101 101 GLN CA C 95 58.371 58.371 57.927 0.444 17610 4351 1 5 . 1 1 101 101 GLN CB C 95 27.807 27.807 27.995 -0.188 17610 4352 1 5 . 1 1 101 101 GLN H H 95 7.468 7.468 7.661 -0.193 17610 4353 1 5 . 1 1 102 102 TYR N N 96 120.407 120.407 120.782 -0.375 17610 4354 1 5 . 1 1 102 102 TYR HA H 96 4.064 4.064 4.120 -0.056 17610 4355 1 5 . 1 1 102 102 TYR C C 96 177.660 177.660 178.550 -0.890 17610 4356 1 5 . 1 1 102 102 TYR CA C 96 62.847 62.847 60.306 2.541 17610 4357 1 5 . 1 1 102 102 TYR CB C 96 37.795 37.795 38.132 -0.337 17610 4358 1 5 . 1 1 102 102 TYR H H 96 7.600 7.600 8.516 -0.916 17610 4359 1 5 . 1 1 103 103 ARG N N 97 119.974 119.974 119.632 0.342 17610 4360 1 5 . 1 1 103 103 ARG HA H 97 3.616 3.616 3.701 -0.085 17610 4361 1 5 . 1 1 103 103 ARG C C 97 177.618 177.618 177.964 -0.346 17610 4362 1 5 . 1 1 103 103 ARG CA C 97 59.938 59.938 59.479 0.459 17610 4363 1 5 . 1 1 103 103 ARG CB C 97 28.599 28.599 29.510 -0.911 17610 4364 1 5 . 1 1 103 103 ARG H H 97 8.395 8.395 7.765 0.630 17610 4365 1 5 . 1 1 104 104 GLU N N 98 118.351 118.351 118.237 0.114 17610 4366 1 5 . 1 1 104 104 GLU HA H 98 3.781 3.781 3.783 -0.002 17610 4367 1 5 . 1 1 104 104 GLU C C 98 178.982 178.982 178.571 0.411 17610 4368 1 5 . 1 1 104 104 GLU CA C 98 58.900 58.900 59.031 -0.131 17610 4369 1 5 . 1 1 104 104 GLU CB C 98 29.435 29.435 28.938 0.497 17610 4370 1 5 . 1 1 104 104 GLU H H 98 7.970 7.970 7.540 0.430 17610 4371 1 5 . 1 1 105 105 GLN N N 99 121.350 121.350 117.908 3.442 17610 4372 1 5 . 1 1 105 105 GLN HA H 99 3.946 3.946 4.035 -0.089 17610 4373 1 5 . 1 1 105 105 GLN C C 99 177.701 177.701 178.287 -0.586 17610 4374 1 5 . 1 1 105 105 GLN CA C 99 59.037 59.037 58.435 0.602 17610 4375 1 5 . 1 1 105 105 GLN CB C 99 27.938 27.938 28.513 -0.575 17610 4376 1 5 . 1 1 105 105 GLN H H 99 7.907 7.907 7.615 0.292 17610 4377 1 5 . 1 1 106 106 ILE N N 100 121.310 121.310 120.362 0.948 17610 4378 1 5 . 1 1 106 106 ILE HA H 100 3.177 3.177 3.487 -0.310 17610 4379 1 5 . 1 1 106 106 ILE C C 100 177.199 177.199 178.026 -0.827 17610 4380 1 5 . 1 1 106 106 ILE CA C 100 65.682 65.682 64.629 1.053 17610 4381 1 5 . 1 1 106 106 ILE CB C 100 37.874 37.874 37.340 0.534 17610 4382 1 5 . 1 1 106 106 ILE H H 100 7.920 7.920 7.386 0.534 17610 4383 1 5 . 1 1 107 107 LYS N N 101 118.584 118.584 118.783 -0.199 17610 4384 1 5 . 1 1 107 107 LYS HA H 101 3.951 3.951 4.200 -0.249 17610 4385 1 5 . 1 1 107 107 LYS C C 101 179.476 179.476 179.281 0.195 17610 4386 1 5 . 1 1 107 107 LYS CA C 101 59.571 59.571 58.032 1.538 17610 4387 1 5 . 1 1 107 107 LYS CB C 101 32.227 32.227 31.265 0.962 17610 4388 1 5 . 1 1 107 107 LYS H H 101 7.782 7.782 7.459 0.323 17610 4389 1 5 . 1 1 108 108 ARG N N 102 119.152 119.152 119.079 0.073 17610 4390 1 5 . 1 1 108 108 ARG HA H 102 4.082 4.082 4.039 0.043 17610 4391 1 5 . 1 1 108 108 ARG C C 102 179.582 179.582 178.287 1.295 17610 4392 1 5 . 1 1 108 108 ARG CA C 102 58.946 58.946 58.864 0.082 17610 4393 1 5 . 1 1 108 108 ARG CB C 102 30.097 30.097 30.306 -0.209 17610 4394 1 5 . 1 1 108 108 ARG H H 102 7.777 7.777 7.185 0.592 17610 4395 1 5 . 1 1 109 109 VAL N N 103 119.544 119.544 119.747 -0.203 17610 4396 1 5 . 1 1 109 109 VAL HA H 103 3.837 3.837 3.705 0.132 17610 4397 1 5 . 1 1 109 109 VAL C C 103 177.919 177.919 177.846 0.073 17610 4398 1 5 . 1 1 109 109 VAL CA C 103 65.393 65.393 65.479 -0.086 17610 4399 1 5 . 1 1 109 109 VAL CB C 103 31.599 31.599 31.381 0.218 17610 4400 1 5 . 1 1 109 109 VAL H H 103 8.282 8.282 7.786 0.496 17610 4401 1 5 . 1 1 110 110 LYS N N 104 117.592 117.592 117.445 0.147 17610 4402 1 5 . 1 1 110 110 LYS HA H 104 4.269 4.269 4.138 0.131 17610 4403 1 5 . 1 1 110 110 LYS C C 104 175.878 175.878 176.772 -0.894 17610 4404 1 5 . 1 1 110 110 LYS CA C 104 54.797 54.797 56.876 -2.079 17610 4405 1 5 . 1 1 110 110 LYS CB C 104 30.687 30.687 32.130 -1.443 17610 4406 1 5 . 1 1 110 110 LYS H H 104 8.117 8.117 8.027 0.090 17610 4407 1 5 . 1 1 111 111 ASP N N 105 122.118 122.118 116.844 5.274 17610 4408 1 5 . 1 1 111 111 ASP HA H 105 4.306 4.306 4.358 -0.052 17610 4409 1 5 . 1 1 111 111 ASP C C 105 174.496 174.496 175.079 -0.583 17610 4410 1 5 . 1 1 111 111 ASP CA C 105 54.442 54.442 55.390 -0.948 17610 4411 1 5 . 1 1 111 111 ASP CB C 105 39.792 39.792 39.288 0.504 17610 4412 1 5 . 1 1 111 111 ASP H H 105 7.958 7.958 7.847 0.111 17610 4413 1 5 . 1 1 112 112 SER N N 106 110.372 110.372 111.854 -1.482 17610 4414 1 5 . 1 1 112 112 SER HA H 106 4.565 4.565 4.534 0.031 17610 4415 1 5 . 1 1 112 112 SER C C 106 172.985 172.985 173.792 -0.807 17610 4416 1 5 . 1 1 112 112 SER CA C 106 56.779 56.779 57.781 -1.002 17610 4417 1 5 . 1 1 112 112 SER CB C 106 65.259 65.259 64.981 0.278 17610 4418 1 5 . 1 1 112 112 SER H H 106 7.539 7.539 7.461 0.078 17610 4419 1 5 . 1 1 113 113 ASP N N 107 123.301 123.301 123.636 -0.335 17610 4420 1 5 . 1 1 113 113 ASP HA H 107 4.665 4.665 4.413 0.252 17610 4421 1 5 . 1 1 113 113 ASP C C 107 176.066 176.066 175.322 0.744 17610 4422 1 5 . 1 1 113 113 ASP CA C 107 54.267 54.267 55.943 -1.675 17610 4423 1 5 . 1 1 113 113 ASP CB C 107 41.837 41.837 41.286 0.551 17610 4424 1 5 . 1 1 113 113 ASP H H 107 8.385 8.385 8.709 -0.324 17610 4425 1 5 . 1 1 114 114 ASP N N 108 122.347 122.347 119.314 3.033 17610 4426 1 5 . 1 1 114 114 ASP HA H 108 4.882 4.882 4.602 0.280 17610 4427 1 5 . 1 1 114 114 ASP C C 108 174.386 174.386 174.903 -0.517 17610 4428 1 5 . 1 1 114 114 ASP CA C 108 53.143 53.143 54.493 -1.350 17610 4429 1 5 . 1 1 114 114 ASP CB C 108 41.323 41.323 40.220 1.103 17610 4430 1 5 . 1 1 114 114 ASP H H 108 8.404 8.404 8.330 0.074 17610 4431 1 5 . 1 1 115 115 VAL N N 109 123.609 123.609 124.753 -1.144 17610 4432 1 5 . 1 1 115 115 VAL HA H 109 4.337 4.337 4.279 0.058 17610 4433 1 5 . 1 1 115 115 VAL CA C 109 58.984 58.984 58.604 0.380 17610 4434 1 5 . 1 1 115 115 VAL CB C 109 34.932 34.932 35.622 -0.690 17610 4435 1 5 . 1 1 115 115 VAL H H 109 7.649 7.649 7.618 0.031 17610 4436 1 5 . 1 1 116 116 PRO HA H 110 4.430 4.430 4.565 -0.135 17610 4437 1 5 . 1 1 116 116 PRO C C 110 175.942 175.942 175.395 0.547 17610 4438 1 5 . 1 1 116 116 PRO CA C 110 63.872 63.872 63.257 0.615 17610 4439 1 5 . 1 1 116 116 PRO CB C 110 32.120 32.120 30.580 1.540 17610 4440 1 5 . 1 1 117 117 MET N N 111 124.020 124.020 119.818 4.202 17610 4441 1 5 . 1 1 117 117 MET HA H 111 5.777 5.777 5.411 0.366 17610 4442 1 5 . 1 1 117 117 MET C C 111 173.737 173.737 173.745 -0.008 17610 4443 1 5 . 1 1 117 117 MET CA C 111 55.094 55.094 53.938 1.156 17610 4444 1 5 . 1 1 117 117 MET CB C 111 37.889 37.889 37.038 0.851 17610 4445 1 5 . 1 1 117 117 MET H H 111 8.274 8.274 7.800 0.474 17610 4446 1 5 . 1 1 118 118 VAL N N 112 118.747 118.747 116.101 2.646 17610 4447 1 5 . 1 1 118 118 VAL HA H 112 4.341 4.341 4.474 -0.133 17610 4448 1 5 . 1 1 118 118 VAL C C 112 173.171 173.171 173.743 -0.572 17610 4449 1 5 . 1 1 118 118 VAL CA C 112 60.943 60.943 61.118 -0.175 17610 4450 1 5 . 1 1 118 118 VAL CB C 112 37.030 37.030 36.024 1.006 17610 4451 1 5 . 1 1 118 118 VAL H H 112 8.119 8.119 8.747 -0.628 17610 4452 1 5 . 1 1 119 119 LEU N N 113 129.931 129.931 127.925 2.006 17610 4453 1 5 . 1 1 119 119 LEU HA H 113 5.157 5.157 5.206 -0.049 17610 4454 1 5 . 1 1 119 119 LEU C C 113 173.496 173.496 174.956 -1.460 17610 4455 1 5 . 1 1 119 119 LEU CA C 113 53.828 53.828 53.354 0.474 17610 4456 1 5 . 1 1 119 119 LEU CB C 113 43.876 43.876 43.552 0.324 17610 4457 1 5 . 1 1 119 119 LEU H H 113 8.918 8.918 8.256 0.662 17610 4458 1 5 . 1 1 120 120 VAL N N 114 129.371 129.371 127.837 1.534 17610 4459 1 5 . 1 1 120 120 VAL HA H 114 5.117 5.117 4.982 0.135 17610 4460 1 5 . 1 1 120 120 VAL C C 114 173.667 173.667 175.808 -2.141 17610 4461 1 5 . 1 1 120 120 VAL CA C 114 60.124 60.124 60.617 -0.493 17610 4462 1 5 . 1 1 120 120 VAL CB C 114 35.225 35.225 33.466 1.759 17610 4463 1 5 . 1 1 120 120 VAL H H 114 9.173 9.173 8.999 0.174 17610 4464 1 5 . 1 1 121 121 GLY N N 115 115.789 115.789 112.877 2.912 17610 4465 1 5 . 1 1 121 121 GLY C C 115 171.603 171.603 173.783 -2.180 17610 4466 1 5 . 1 1 121 121 GLY CA C 115 45.256 45.256 43.886 1.369 17610 4467 1 5 . 1 1 121 121 GLY H H 115 8.046 8.046 8.994 -0.948 17610 4468 1 5 . 1 1 122 122 ASN N N 116 122.349 122.349 123.186 -0.837 17610 4469 1 5 . 1 1 122 122 ASN HA H 116 5.620 5.620 4.616 1.004 17610 4470 1 5 . 1 1 122 122 ASN C C 116 174.732 174.732 175.428 -0.696 17610 4471 1 5 . 1 1 122 122 ASN CA C 116 51.492 51.492 52.864 -1.371 17610 4472 1 5 . 1 1 122 122 ASN CB C 116 41.323 41.323 39.839 1.484 17610 4473 1 5 . 1 1 122 122 ASN H H 116 8.756 8.756 7.750 1.006 17610 4474 1 5 . 1 1 123 123 LYS N N 117 113.297 113.297 114.819 -1.522 17610 4475 1 5 . 1 1 123 123 LYS HA H 117 4.280 4.280 3.919 0.361 17610 4476 1 5 . 1 1 123 123 LYS C C 117 177.324 177.324 175.130 2.194 17610 4477 1 5 . 1 1 123 123 LYS CA C 117 57.273 57.273 57.231 0.042 17610 4478 1 5 . 1 1 123 123 LYS CB C 117 29.775 29.775 29.750 0.024 17610 4479 1 5 . 1 1 123 123 LYS H H 117 7.342 7.342 8.730 -1.388 17610 4480 1 5 . 1 1 124 124 CYS N N 118 115.340 115.340 117.328 -1.988 17610 4481 1 5 . 1 1 124 124 CYS HA H 118 4.292 4.292 4.306 -0.014 17610 4482 1 5 . 1 1 124 124 CYS C C 118 173.325 173.325 175.145 -1.820 17610 4483 1 5 . 1 1 124 124 CYS CA C 118 60.698 60.698 58.869 1.829 17610 4484 1 5 . 1 1 124 124 CYS CB C 118 26.387 26.387 27.301 -0.914 17610 4485 1 5 . 1 1 124 124 CYS H H 118 8.763 8.763 8.027 0.736 17610 4486 1 5 . 1 1 125 125 ASP N N 119 118.603 118.603 118.796 -0.193 17610 4487 1 5 . 1 1 125 125 ASP HA H 119 4.476 4.476 4.598 -0.122 17610 4488 1 5 . 1 1 125 125 ASP C C 119 175.464 175.464 175.691 -0.227 17610 4489 1 5 . 1 1 125 125 ASP CA C 119 53.951 53.951 54.643 -0.692 17610 4490 1 5 . 1 1 125 125 ASP CB C 119 41.323 41.323 41.117 0.206 17610 4491 1 5 . 1 1 125 125 ASP H H 119 8.613 8.613 8.242 0.371 17610 4492 1 5 . 1 1 126 126 LEU N N 120 122.098 122.098 120.624 1.474 17610 4493 1 5 . 1 1 126 126 LEU HA H 120 4.241 4.241 4.193 0.048 17610 4494 1 5 . 1 1 126 126 LEU C C 120 176.420 176.420 177.357 -0.937 17610 4495 1 5 . 1 1 126 126 LEU CA C 120 54.723 54.723 56.118 -1.395 17610 4496 1 5 . 1 1 126 126 LEU CB C 120 41.837 41.837 41.966 -0.129 17610 4497 1 5 . 1 1 126 126 LEU H H 120 7.802 7.802 7.630 0.172 17610 4498 1 5 . 1 1 127 127 ALA N N 121 123.959 123.959 127.392 -3.433 17610 4499 1 5 . 1 1 127 127 ALA HA H 121 4.214 4.214 4.298 -0.084 17610 4500 1 5 . 1 1 127 127 ALA C C 121 178.717 178.717 176.586 2.131 17610 4501 1 5 . 1 1 127 127 ALA CA C 121 53.179 53.179 52.901 0.278 17610 4502 1 5 . 1 1 127 127 ALA CB C 121 18.871 18.871 18.442 0.429 17610 4503 1 5 . 1 1 127 127 ALA H H 121 8.160 8.160 8.710 -0.550 17610 4504 1 5 . 1 1 128 128 ALA N N 122 123.078 123.078 121.506 1.572 17610 4505 1 5 . 1 1 128 128 ALA HA H 122 4.524 4.524 4.474 0.050 17610 4506 1 5 . 1 1 128 128 ALA C C 122 175.272 175.272 176.598 -1.326 17610 4507 1 5 . 1 1 128 128 ALA CA C 122 51.259 51.259 51.031 0.229 17610 4508 1 5 . 1 1 128 128 ALA CB C 122 17.623 17.623 19.251 -1.628 17610 4509 1 5 . 1 1 128 128 ALA H H 122 7.698 7.698 7.766 -0.068 17610 4510 1 5 . 1 1 129 129 ARG N N 123 121.454 121.454 120.400 1.054 17610 4511 1 5 . 1 1 129 129 ARG HA H 123 4.093 4.093 4.125 -0.032 17610 4512 1 5 . 1 1 129 129 ARG C C 123 176.271 176.271 175.941 0.330 17610 4513 1 5 . 1 1 129 129 ARG CA C 123 55.596 55.596 56.957 -1.361 17610 4514 1 5 . 1 1 129 129 ARG CB C 123 32.696 32.696 29.443 3.253 17610 4515 1 5 . 1 1 129 129 ARG H H 123 7.992 7.992 8.086 -0.094 17610 4516 1 5 . 1 1 130 130 THR N N 124 115.617 115.617 114.267 1.350 17610 4517 1 5 . 1 1 130 130 THR HA H 124 4.564 4.564 4.330 0.234 17610 4518 1 5 . 1 1 130 130 THR C C 124 174.119 174.119 175.298 -1.179 17610 4519 1 5 . 1 1 130 130 THR CA C 124 61.746 61.746 63.290 -1.544 17610 4520 1 5 . 1 1 130 130 THR CB C 124 69.094 69.094 70.661 -1.567 17610 4521 1 5 . 1 1 130 130 THR H H 124 9.145 9.145 8.593 0.552 17610 4522 1 5 . 1 1 131 131 VAL N N 125 125.688 125.688 124.918 0.770 17610 4523 1 5 . 1 1 131 131 VAL HA H 125 4.015 4.015 4.201 -0.186 17610 4524 1 5 . 1 1 131 131 VAL C C 125 175.658 175.658 174.710 0.948 17610 4525 1 5 . 1 1 131 131 VAL CA C 125 61.373 61.373 61.040 0.333 17610 4526 1 5 . 1 1 131 131 VAL CB C 125 33.147 33.147 31.540 1.607 17610 4527 1 5 . 1 1 131 131 VAL H H 125 7.618 7.618 8.085 -0.467 17610 4528 1 5 . 1 1 132 132 GLU N N 126 128.319 128.319 126.313 2.006 17610 4529 1 5 . 1 1 132 132 GLU HA H 126 4.228 4.228 4.224 0.004 17610 4530 1 5 . 1 1 132 132 GLU C C 126 177.986 177.986 177.266 0.720 17610 4531 1 5 . 1 1 132 132 GLU CA C 126 56.323 56.323 56.443 -0.120 17610 4532 1 5 . 1 1 132 132 GLU CB C 126 30.158 30.158 30.310 -0.152 17610 4533 1 5 . 1 1 132 132 GLU H H 126 8.727 8.727 8.175 0.552 17610 4534 1 5 . 1 1 133 133 SER N N 127 122.970 122.970 116.930 6.040 17610 4535 1 5 . 1 1 133 133 SER HA H 127 4.074 4.074 4.219 -0.145 17610 4536 1 5 . 1 1 133 133 SER C C 127 176.633 176.633 176.183 0.450 17610 4537 1 5 . 1 1 133 133 SER CA C 127 62.598 62.598 60.976 1.622 17610 4538 1 5 . 1 1 133 133 SER CB C 127 62.511 62.511 63.251 -0.740 17610 4539 1 5 . 1 1 133 133 SER H H 127 9.421 9.421 8.932 0.489 17610 4540 1 5 . 1 1 134 134 ARG N N 128 119.141 119.141 121.581 -2.440 17610 4541 1 5 . 1 1 134 134 ARG HA H 128 4.028 4.028 4.094 -0.066 17610 4542 1 5 . 1 1 134 134 ARG C C 128 177.739 177.739 178.871 -1.132 17610 4543 1 5 . 1 1 134 134 ARG CA C 128 58.785 58.785 58.693 0.092 17610 4544 1 5 . 1 1 134 134 ARG CB C 128 29.752 29.752 28.931 0.821 17610 4545 1 5 . 1 1 134 134 ARG H H 128 8.675 8.675 8.569 0.106 17610 4546 1 5 . 1 1 135 135 GLN N N 129 118.050 118.050 118.470 -0.420 17610 4547 1 5 . 1 1 135 135 GLN HA H 129 4.091 4.091 4.048 0.043 17610 4548 1 5 . 1 1 135 135 GLN C C 129 179.009 179.009 177.922 1.087 17610 4549 1 5 . 1 1 135 135 GLN CA C 129 58.389 58.389 58.554 -0.165 17610 4550 1 5 . 1 1 135 135 GLN CB C 129 28.916 28.916 28.234 0.682 17610 4551 1 5 . 1 1 135 135 GLN H H 129 6.796 6.796 7.638 -0.842 17610 4552 1 5 . 1 1 136 136 ALA N N 130 124.769 124.769 121.865 2.904 17610 4553 1 5 . 1 1 136 136 ALA HA H 130 3.933 3.933 3.566 0.367 17610 4554 1 5 . 1 1 136 136 ALA C C 130 178.155 178.155 179.369 -1.214 17610 4555 1 5 . 1 1 136 136 ALA CA C 130 54.760 54.760 54.466 0.294 17610 4556 1 5 . 1 1 136 136 ALA CB C 130 18.546 18.546 17.604 0.942 17610 4557 1 5 . 1 1 136 136 ALA H H 130 7.017 7.017 7.626 -0.609 17610 4558 1 5 . 1 1 137 137 GLN N N 131 119.215 119.215 118.099 1.116 17610 4559 1 5 . 1 1 137 137 GLN HA H 131 3.720 3.720 3.694 0.026 17610 4560 1 5 . 1 1 137 137 GLN C C 131 179.387 179.387 178.059 1.328 17610 4561 1 5 . 1 1 137 137 GLN CA C 131 58.815 58.815 59.676 -0.862 17610 4562 1 5 . 1 1 137 137 GLN CB C 131 28.503 28.503 28.492 0.011 17610 4563 1 5 . 1 1 137 137 GLN H H 131 8.602 8.602 7.974 0.628 17610 4564 1 5 . 1 1 138 138 ASP N N 132 121.298 121.298 120.632 0.666 17610 4565 1 5 . 1 1 138 138 ASP HA H 132 4.371 4.371 4.289 0.082 17610 4566 1 5 . 1 1 138 138 ASP C C 132 178.855 178.855 178.518 0.337 17610 4567 1 5 . 1 1 138 138 ASP CA C 132 57.425 57.425 57.463 -0.038 17610 4568 1 5 . 1 1 138 138 ASP CB C 132 40.860 40.860 40.735 0.125 17610 4569 1 5 . 1 1 138 138 ASP H H 132 8.203 8.203 7.636 0.567 17610 4570 1 5 . 1 1 139 139 LEU N N 133 124.786 124.786 120.184 4.602 17610 4571 1 5 . 1 1 139 139 LEU HA H 133 3.888 3.888 3.858 0.030 17610 4572 1 5 . 1 1 139 139 LEU C C 133 178.953 178.953 178.358 0.595 17610 4573 1 5 . 1 1 139 139 LEU CA C 133 57.827 57.827 57.893 -0.066 17610 4574 1 5 . 1 1 139 139 LEU CB C 133 41.837 41.837 41.374 0.463 17610 4575 1 5 . 1 1 139 139 LEU H H 133 7.485 7.485 7.353 0.132 17610 4576 1 5 . 1 1 140 140 ALA N N 134 123.038 123.038 120.970 2.068 17610 4577 1 5 . 1 1 140 140 ALA HA H 134 3.783 3.783 3.981 -0.198 17610 4578 1 5 . 1 1 140 140 ALA C C 134 179.902 179.902 179.155 0.747 17610 4579 1 5 . 1 1 140 140 ALA CA C 134 55.832 55.832 54.975 0.857 17610 4580 1 5 . 1 1 140 140 ALA CB C 134 18.120 18.120 18.486 -0.366 17610 4581 1 5 . 1 1 140 140 ALA H H 134 8.426 8.426 7.802 0.624 17610 4582 1 5 . 1 1 141 141 ARG N N 135 119.537 119.537 118.331 1.206 17610 4583 1 5 . 1 1 141 141 ARG HA H 135 4.194 4.194 4.023 0.171 17610 4584 1 5 . 1 1 141 141 ARG C C 135 180.037 180.037 178.701 1.336 17610 4585 1 5 . 1 1 141 141 ARG CA C 135 59.331 59.331 58.932 0.399 17610 4586 1 5 . 1 1 141 141 ARG CB C 135 29.864 29.864 30.091 -0.227 17610 4587 1 5 . 1 1 141 141 ARG H H 135 8.459 8.459 8.579 -0.120 17610 4588 1 5 . 1 1 142 142 SER N N 136 118.958 118.958 113.436 5.522 17610 4589 1 5 . 1 1 142 142 SER HA H 136 4.277 4.277 4.216 0.061 17610 4590 1 5 . 1 1 142 142 SER C C 136 176.127 176.127 175.473 0.654 17610 4591 1 5 . 1 1 142 142 SER CA C 136 61.509 61.509 60.395 1.114 17610 4592 1 5 . 1 1 142 142 SER CB C 136 62.529 62.529 63.239 -0.710 17610 4593 1 5 . 1 1 142 142 SER H H 136 7.944 7.944 7.546 0.398 17610 4594 1 5 . 1 1 143 143 TYR N N 137 121.309 121.309 118.453 2.856 17610 4595 1 5 . 1 1 143 143 TYR HA H 137 4.907 4.907 4.415 0.492 17610 4596 1 5 . 1 1 143 143 TYR C C 137 176.279 176.279 176.506 -0.227 17610 4597 1 5 . 1 1 143 143 TYR CA C 137 54.737 54.737 57.014 -2.277 17610 4598 1 5 . 1 1 143 143 TYR CB C 137 38.830 38.830 38.755 0.075 17610 4599 1 5 . 1 1 143 143 TYR H H 137 7.623 7.623 7.154 0.469 17610 4600 1 5 . 1 1 144 144 GLY N N 138 112.193 112.193 107.000 5.193 17610 4601 1 5 . 1 1 144 144 GLY C C 138 175.077 175.077 174.324 0.753 17610 4602 1 5 . 1 1 144 144 GLY CA C 138 46.439 46.439 45.223 1.216 17610 4603 1 5 . 1 1 144 144 GLY H H 138 8.328 8.328 7.610 0.718 17610 4604 1 5 . 1 1 145 145 ILE N N 139 114.227 114.227 116.835 -2.608 17610 4605 1 5 . 1 1 145 145 ILE HA H 139 5.241 5.241 4.761 0.480 17610 4606 1 5 . 1 1 145 145 ILE CA C 139 58.420 58.420 57.958 0.462 17610 4607 1 5 . 1 1 145 145 ILE CB C 139 38.543 38.543 38.918 -0.375 17610 4608 1 5 . 1 1 145 145 ILE H H 139 8.059 8.059 7.517 0.542 17610 4609 1 5 . 1 1 146 146 PRO HA H 140 4.627 4.627 4.473 0.154 17610 4610 1 5 . 1 1 146 146 PRO C C 140 174.570 174.570 175.246 -0.676 17610 4611 1 5 . 1 1 146 146 PRO CA C 140 62.362 62.362 62.552 -0.190 17610 4612 1 5 . 1 1 146 146 PRO CB C 140 33.057 33.057 32.486 0.571 17610 4613 1 5 . 1 1 147 147 TYR N N 141 121.135 121.135 121.386 -0.251 17610 4614 1 5 . 1 1 147 147 TYR HA H 141 5.997 5.997 5.431 0.566 17610 4615 1 5 . 1 1 147 147 TYR C C 141 174.492 174.492 174.589 -0.097 17610 4616 1 5 . 1 1 147 147 TYR CA C 141 54.912 54.912 56.444 -1.532 17610 4617 1 5 . 1 1 147 147 TYR CB C 141 40.972 40.972 40.761 0.211 17610 4618 1 5 . 1 1 147 147 TYR H H 141 8.252 8.252 8.336 -0.084 17610 4619 1 5 . 1 1 148 148 ILE N N 142 131.362 131.362 127.342 4.020 17610 4620 1 5 . 1 1 148 148 ILE HA H 142 3.948 3.948 4.234 -0.286 17610 4621 1 5 . 1 1 148 148 ILE C C 142 172.977 172.977 174.093 -1.116 17610 4622 1 5 . 1 1 148 148 ILE CA C 142 59.383 59.383 59.700 -0.317 17610 4623 1 5 . 1 1 148 148 ILE CB C 142 42.260 42.260 41.992 0.268 17610 4624 1 5 . 1 1 148 148 ILE H H 142 8.495 8.495 8.252 0.243 17610 4625 1 5 . 1 1 149 149 GLU N N 143 125.874 125.874 124.545 1.329 17610 4626 1 5 . 1 1 149 149 GLU HA H 143 4.788 4.788 4.679 0.109 17610 4627 1 5 . 1 1 149 149 GLU C C 143 176.128 176.128 175.415 0.713 17610 4628 1 5 . 1 1 149 149 GLU CA C 143 55.647 55.647 55.285 0.362 17610 4629 1 5 . 1 1 149 149 GLU CB C 143 29.727 29.727 31.337 -1.610 17610 4630 1 5 . 1 1 149 149 GLU H H 143 7.827 7.827 8.533 -0.706 17610 4631 1 5 . 1 1 150 150 THR N N 144 113.629 113.629 114.108 -0.479 17610 4632 1 5 . 1 1 150 150 THR HA H 144 5.081 5.081 5.306 -0.225 17610 4633 1 5 . 1 1 150 150 THR C C 144 176.136 176.136 173.251 2.885 17610 4634 1 5 . 1 1 150 150 THR CA C 144 59.464 59.464 59.547 -0.083 17610 4635 1 5 . 1 1 150 150 THR CB C 144 73.639 73.639 71.560 2.079 17610 4636 1 5 . 1 1 150 150 THR H H 144 8.800 8.800 8.217 0.583 17610 4637 1 5 . 1 1 151 151 SER N N 145 113.706 113.706 114.231 -0.525 17610 4638 1 5 . 1 1 151 151 SER HA H 145 4.883 4.883 5.126 -0.243 17610 4639 1 5 . 1 1 151 151 SER C C 145 175.707 175.707 173.628 2.079 17610 4640 1 5 . 1 1 151 151 SER CA C 145 57.438 57.438 56.974 0.465 17610 4641 1 5 . 1 1 151 151 SER CB C 145 64.470 64.470 65.819 -1.349 17610 4642 1 5 . 1 1 151 151 SER H H 145 8.807 8.807 8.118 0.689 17610 4643 1 5 . 1 1 152 152 ALA N N 146 133.500 133.500 127.567 5.933 17610 4644 1 5 . 1 1 152 152 ALA HA H 146 3.890 3.890 4.113 -0.223 17610 4645 1 5 . 1 1 152 152 ALA C C 146 175.632 175.632 178.245 -2.613 17610 4646 1 5 . 1 1 152 152 ALA CA C 146 54.416 54.416 54.844 -0.428 17610 4647 1 5 . 1 1 152 152 ALA CB C 146 18.605 18.605 19.061 -0.457 17610 4648 1 5 . 1 1 152 152 ALA H H 146 9.134 9.134 8.688 0.446 17610 4649 1 5 . 1 1 153 153 LYS N N 147 117.223 117.223 118.007 -0.784 17610 4650 1 5 . 1 1 153 153 LYS HA H 147 2.616 2.616 3.674 -1.058 17610 4651 1 5 . 1 1 153 153 LYS C C 147 177.045 177.045 177.302 -0.257 17610 4652 1 5 . 1 1 153 153 LYS CA C 147 58.119 58.119 58.710 -0.591 17610 4653 1 5 . 1 1 153 153 LYS CB C 147 33.956 33.956 32.047 1.909 17610 4654 1 5 . 1 1 153 153 LYS H H 147 7.042 7.042 8.349 -1.307 17610 4655 1 5 . 1 1 154 154 THR N N 148 107.404 107.404 108.900 -1.496 17610 4656 1 5 . 1 1 154 154 THR HA H 148 4.157 4.157 4.292 -0.135 17610 4657 1 5 . 1 1 154 154 THR C C 148 175.979 175.979 174.471 1.508 17610 4658 1 5 . 1 1 154 154 THR CA C 148 61.489 61.489 61.235 0.254 17610 4659 1 5 . 1 1 154 154 THR CB C 148 69.911 69.911 69.310 0.601 17610 4660 1 5 . 1 1 154 154 THR H H 148 7.721 7.721 7.807 -0.086 17610 4661 1 5 . 1 1 155 155 ARG N N 149 119.268 119.268 120.897 -1.629 17610 4662 1 5 . 1 1 155 155 ARG HA H 149 3.476 3.476 4.001 -0.525 17610 4663 1 5 . 1 1 155 155 ARG C C 149 175.481 175.481 174.235 1.246 17610 4664 1 5 . 1 1 155 155 ARG CA C 149 59.653 59.653 56.838 2.815 17610 4665 1 5 . 1 1 155 155 ARG CB C 149 30.445 30.445 27.975 2.470 17610 4666 1 5 . 1 1 155 155 ARG H H 149 7.814 7.814 7.891 -0.077 17610 4667 1 5 . 1 1 156 156 GLN N N 150 125.391 125.391 124.023 1.368 17610 4668 1 5 . 1 1 156 156 GLN HA H 150 4.065 4.065 4.539 -0.474 17610 4669 1 5 . 1 1 156 156 GLN C C 150 177.007 177.007 175.675 1.332 17610 4670 1 5 . 1 1 156 156 GLN CA C 150 57.433 57.433 54.707 2.726 17610 4671 1 5 . 1 1 156 156 GLN CB C 150 28.472 28.472 30.664 -2.192 17610 4672 1 5 . 1 1 156 156 GLN H H 150 7.833 7.833 7.629 0.204 17610 4673 1 5 . 1 1 157 157 GLY N N 151 116.380 116.380 114.201 2.179 17610 4674 1 5 . 1 1 157 157 GLY C C 151 173.581 173.581 174.936 -1.355 17610 4675 1 5 . 1 1 157 157 GLY CA C 151 46.945 46.945 46.414 0.530 17610 4676 1 5 . 1 1 157 157 GLY H H 151 8.936 8.936 9.126 -0.190 17610 4677 1 5 . 1 1 158 158 VAL N N 152 121.822 121.822 119.580 2.242 17610 4678 1 5 . 1 1 158 158 VAL HA H 152 3.221 3.221 3.563 -0.342 17610 4679 1 5 . 1 1 158 158 VAL C C 152 177.006 177.006 177.751 -0.745 17610 4680 1 5 . 1 1 158 158 VAL CA C 152 68.314 68.314 66.365 1.950 17610 4681 1 5 . 1 1 158 158 VAL CB C 152 31.473 31.473 31.517 -0.044 17610 4682 1 5 . 1 1 158 158 VAL H H 152 7.099 7.099 8.179 -1.080 17610 4683 1 5 . 1 1 159 159 GLU N N 153 118.087 118.087 118.417 -0.330 17610 4684 1 5 . 1 1 159 159 GLU HA H 153 3.305 3.305 3.877 -0.572 17610 4685 1 5 . 1 1 159 159 GLU C C 153 177.163 177.163 178.394 -1.231 17610 4686 1 5 . 1 1 159 159 GLU CA C 153 60.407 60.407 59.428 0.979 17610 4687 1 5 . 1 1 159 159 GLU CB C 153 28.787 28.787 28.861 -0.074 17610 4688 1 5 . 1 1 159 159 GLU H H 153 8.271 8.271 8.781 -0.510 17610 4689 1 5 . 1 1 160 160 ASP N N 154 117.624 117.624 120.034 -2.410 17610 4690 1 5 . 1 1 160 160 ASP HA H 154 4.205 4.205 4.591 -0.386 17610 4691 1 5 . 1 1 160 160 ASP C C 154 179.366 179.366 177.916 1.450 17610 4692 1 5 . 1 1 160 160 ASP CA C 154 57.288 57.288 57.154 0.134 17610 4693 1 5 . 1 1 160 160 ASP CB C 154 40.040 40.040 40.435 -0.395 17610 4694 1 5 . 1 1 160 160 ASP H H 154 8.145 8.145 8.174 -0.029 17610 4695 1 5 . 1 1 161 161 ALA N N 155 125.270 125.270 121.832 3.438 17610 4696 1 5 . 1 1 161 161 ALA HA H 155 3.749 3.749 4.015 -0.266 17610 4697 1 5 . 1 1 161 161 ALA C C 155 177.684 177.684 179.751 -2.067 17610 4698 1 5 . 1 1 161 161 ALA CA C 155 56.295 56.295 54.751 1.544 17610 4699 1 5 . 1 1 161 161 ALA CB C 155 17.397 17.397 18.341 -0.944 17610 4700 1 5 . 1 1 161 161 ALA H H 155 8.603 8.603 7.340 1.263 17610 4701 1 5 . 1 1 162 162 PHE N N 156 113.772 113.772 117.950 -4.178 17610 4702 1 5 . 1 1 162 162 PHE HA H 156 3.912 3.912 4.025 -0.113 17610 4703 1 5 . 1 1 162 162 PHE C C 156 177.975 177.975 177.877 0.098 17610 4704 1 5 . 1 1 162 162 PHE CA C 156 62.851 62.851 62.160 0.691 17610 4705 1 5 . 1 1 162 162 PHE CB C 156 39.472 39.472 38.537 0.935 17610 4706 1 5 . 1 1 162 162 PHE H H 156 7.236 7.236 7.408 -0.172 17610 4707 1 5 . 1 1 163 163 TYR N N 157 120.499 120.499 117.003 3.496 17610 4708 1 5 . 1 1 163 163 TYR HA H 157 4.355 4.355 4.161 0.194 17610 4709 1 5 . 1 1 163 163 TYR C C 157 179.097 179.097 178.319 0.778 17610 4710 1 5 . 1 1 163 163 TYR CA C 157 58.309 58.309 60.367 -2.058 17610 4711 1 5 . 1 1 163 163 TYR CB C 157 35.012 35.012 37.313 -2.301 17610 4712 1 5 . 1 1 163 163 TYR H H 157 9.573 9.573 8.383 1.190 17610 4713 1 5 . 1 1 164 164 THR N N 158 118.206 118.206 115.180 3.026 17610 4714 1 5 . 1 1 164 164 THR HA H 158 3.903 3.903 4.000 -0.098 17610 4715 1 5 . 1 1 164 164 THR C C 158 175.656 175.656 176.236 -0.580 17610 4716 1 5 . 1 1 164 164 THR CA C 158 67.484 67.484 66.073 1.411 17610 4717 1 5 . 1 1 164 164 THR CB C 158 67.819 67.819 68.266 -0.447 17610 4718 1 5 . 1 1 164 164 THR H H 158 8.538 8.538 7.806 0.732 17610 4719 1 5 . 1 1 165 165 LEU N N 159 122.864 122.864 122.207 0.657 17610 4720 1 5 . 1 1 165 165 LEU HA H 159 3.871 3.871 4.058 -0.187 17610 4721 1 5 . 1 1 165 165 LEU C C 159 177.513 177.513 178.113 -0.600 17610 4722 1 5 . 1 1 165 165 LEU CA C 159 57.991 57.991 57.922 0.069 17610 4723 1 5 . 1 1 165 165 LEU CB C 159 40.181 40.181 40.918 -0.737 17610 4724 1 5 . 1 1 165 165 LEU H H 159 7.232 7.232 7.759 -0.527 17610 4725 1 5 . 1 1 166 166 VAL N N 160 120.322 120.322 118.552 1.770 17610 4726 1 5 . 1 1 166 166 VAL HA H 160 3.045 3.045 3.344 -0.299 17610 4727 1 5 . 1 1 166 166 VAL C C 160 177.474 177.474 178.431 -0.957 17610 4728 1 5 . 1 1 166 166 VAL CA C 160 67.389 67.389 66.069 1.320 17610 4729 1 5 . 1 1 166 166 VAL CB C 160 30.944 30.944 30.610 0.334 17610 4730 1 5 . 1 1 166 166 VAL H H 160 7.517 7.517 7.393 0.124 17610 4731 1 5 . 1 1 167 167 ARG N N 161 120.151 120.151 119.422 0.729 17610 4732 1 5 . 1 1 167 167 ARG HA H 161 3.772 3.772 3.998 -0.226 17610 4733 1 5 . 1 1 167 167 ARG C C 161 179.030 179.030 178.913 0.117 17610 4734 1 5 . 1 1 167 167 ARG CA C 161 60.935 60.935 59.633 1.302 17610 4735 1 5 . 1 1 167 167 ARG CB C 161 29.586 29.586 29.946 -0.360 17610 4736 1 5 . 1 1 167 167 ARG H H 161 8.044 8.044 7.543 0.501 17610 4737 1 5 . 1 1 168 168 GLU N N 162 119.201 119.201 120.365 -1.164 17610 4738 1 5 . 1 1 168 168 GLU HA H 162 4.050 4.050 4.151 -0.101 17610 4739 1 5 . 1 1 168 168 GLU C C 162 179.805 179.805 178.999 0.806 17610 4740 1 5 . 1 1 168 168 GLU CA C 162 58.867 58.867 59.181 -0.314 17610 4741 1 5 . 1 1 168 168 GLU CB C 162 30.330 30.330 29.209 1.121 17610 4742 1 5 . 1 1 168 168 GLU H H 162 8.171 8.171 7.686 0.485 17610 4743 1 5 . 1 1 169 169 ILE N N 163 123.244 123.244 120.165 3.079 17610 4744 1 5 . 1 1 169 169 ILE HA H 163 3.583 3.583 3.640 -0.057 17610 4745 1 5 . 1 1 169 169 ILE C C 163 178.906 178.906 178.643 0.263 17610 4746 1 5 . 1 1 169 169 ILE CA C 163 66.023 66.023 65.619 0.404 17610 4747 1 5 . 1 1 169 169 ILE CB C 163 38.204 38.204 37.785 0.419 17610 4748 1 5 . 1 1 169 169 ILE H H 163 8.174 8.174 7.950 0.224 17610 4749 1 5 . 1 1 170 170 ARG N N 164 119.842 119.842 119.267 0.575 17610 4750 1 5 . 1 1 170 170 ARG HA H 164 4.140 4.140 4.026 0.114 17610 4751 1 5 . 1 1 170 170 ARG C C 164 177.532 177.532 178.488 -0.956 17610 4752 1 5 . 1 1 170 170 ARG CA C 164 58.944 58.944 59.247 -0.303 17610 4753 1 5 . 1 1 170 170 ARG CB C 164 31.206 31.206 29.907 1.300 17610 4754 1 5 . 1 1 170 170 ARG H H 164 8.405 8.405 7.699 0.706 17610 4755 1 5 . 1 1 171 171 GLN N N 165 116.762 116.762 115.810 0.952 17610 4756 1 5 . 1 1 171 171 GLN HA H 165 4.343 4.343 4.184 0.159 17610 4757 1 5 . 1 1 171 171 GLN C C 165 175.218 175.218 176.773 -1.555 17610 4758 1 5 . 1 1 171 171 GLN CA C 165 56.100 56.100 57.587 -1.487 17610 4759 1 5 . 1 1 171 171 GLN CB C 165 29.236 29.236 28.936 0.300 17610 4760 1 5 . 1 1 171 171 GLN H H 165 7.646 7.646 7.706 -0.060 17610 4761 1 6 . 1 1 8 8 THR N N 2 124.188 124.188 118.339 5.849 17610 4762 1 6 . 1 1 8 8 THR HA H 2 3.983 3.983 4.531 -0.548 17610 4763 1 6 . 1 1 8 8 THR C C 2 171.971 171.971 172.524 -0.553 17610 4764 1 6 . 1 1 8 8 THR CA C 2 63.551 63.551 61.109 2.442 17610 4765 1 6 . 1 1 8 8 THR CB C 2 69.619 69.619 71.261 -1.642 17610 4766 1 6 . 1 1 8 8 THR H H 2 8.667 8.667 8.232 0.435 17610 4767 1 6 . 1 1 9 9 GLU N N 3 127.895 127.895 124.323 3.572 17610 4768 1 6 . 1 1 9 9 GLU HA H 3 5.280 5.280 4.368 0.912 17610 4769 1 6 . 1 1 9 9 GLU C C 3 175.089 175.089 175.266 -0.177 17610 4770 1 6 . 1 1 9 9 GLU CA C 3 53.636 53.636 56.104 -2.468 17610 4771 1 6 . 1 1 9 9 GLU CB C 3 32.029 32.029 30.559 1.470 17610 4772 1 6 . 1 1 9 9 GLU H H 3 8.316 8.316 8.500 -0.184 17610 4773 1 6 . 1 1 10 10 TYR N N 4 123.375 123.375 126.436 -3.061 17610 4774 1 6 . 1 1 10 10 TYR HA H 4 5.131 5.131 4.682 0.449 17610 4775 1 6 . 1 1 10 10 TYR C C 4 174.621 174.621 175.543 -0.922 17610 4776 1 6 . 1 1 10 10 TYR CA C 4 56.649 56.649 56.509 0.140 17610 4777 1 6 . 1 1 10 10 TYR CB C 4 41.323 41.323 39.192 2.131 17610 4778 1 6 . 1 1 10 10 TYR H H 4 8.739 8.739 8.249 0.490 17610 4779 1 6 . 1 1 11 11 LYS N N 5 125.147 125.147 126.055 -0.908 17610 4780 1 6 . 1 1 11 11 LYS HA H 5 5.168 5.168 4.490 0.678 17610 4781 1 6 . 1 1 11 11 LYS C C 5 175.291 175.291 175.172 0.119 17610 4782 1 6 . 1 1 11 11 LYS CA C 5 55.145 55.145 56.232 -1.087 17610 4783 1 6 . 1 1 11 11 LYS CB C 5 32.225 32.225 32.133 0.092 17610 4784 1 6 . 1 1 11 11 LYS H H 5 9.142 9.142 8.866 0.276 17610 4785 1 6 . 1 1 12 12 LEU N N 6 127.306 127.306 126.905 0.401 17610 4786 1 6 . 1 1 12 12 LEU HA H 6 4.970 4.970 4.340 0.630 17610 4787 1 6 . 1 1 12 12 LEU C C 6 175.298 175.298 174.963 0.335 17610 4788 1 6 . 1 1 12 12 LEU CA C 6 52.743 52.743 54.523 -1.780 17610 4789 1 6 . 1 1 12 12 LEU CB C 6 43.063 43.063 43.568 -0.505 17610 4790 1 6 . 1 1 12 12 LEU H H 6 9.150 9.150 9.111 0.039 17610 4791 1 6 . 1 1 13 13 VAL N N 7 123.170 123.170 125.452 -2.282 17610 4792 1 6 . 1 1 13 13 VAL HA H 7 4.827 4.827 4.199 0.628 17610 4793 1 6 . 1 1 13 13 VAL C C 7 174.230 174.230 175.106 -0.876 17610 4794 1 6 . 1 1 13 13 VAL CB C 7 34.048 34.048 31.470 2.578 17610 4795 1 6 . 1 1 13 13 VAL H H 7 8.113 8.113 7.825 0.288 17610 4796 1 6 . 1 1 14 14 VAL N N 8 129.854 129.854 128.945 0.909 17610 4797 1 6 . 1 1 14 14 VAL HA H 8 4.669 4.669 4.509 0.160 17610 4798 1 6 . 1 1 14 14 VAL C C 8 175.377 175.377 175.424 -0.047 17610 4799 1 6 . 1 1 14 14 VAL CA C 8 61.935 61.935 61.906 0.029 17610 4800 1 6 . 1 1 14 14 VAL CB C 8 32.496 32.496 31.777 0.719 17610 4801 1 6 . 1 1 14 14 VAL H H 8 8.707 8.707 8.100 0.607 17610 4802 1 6 . 1 1 15 15 VAL N N 9 121.835 121.835 116.365 5.470 17610 4803 1 6 . 1 1 15 15 VAL HA H 9 4.616 4.616 4.481 0.135 17610 4804 1 6 . 1 1 15 15 VAL C C 9 172.824 172.824 174.279 -1.455 17610 4805 1 6 . 1 1 15 15 VAL CA C 9 58.963 58.963 58.978 -0.015 17610 4806 1 6 . 1 1 15 15 VAL CB C 9 35.405 35.405 33.929 1.476 17610 4807 1 6 . 1 1 15 15 VAL H H 9 9.107 9.107 8.750 0.357 17610 4808 1 6 . 1 1 16 16 GLY N N 10 109.233 109.233 108.389 0.844 17610 4809 1 6 . 1 1 16 16 GLY C C 10 172.504 172.504 172.449 0.055 17610 4810 1 6 . 1 1 16 16 GLY CA C 10 43.848 43.848 46.135 -2.287 17610 4811 1 6 . 1 1 16 16 GLY H H 10 7.394 7.394 8.407 -1.013 17610 4812 1 6 . 1 1 17 17 ALA N N 11 123.120 123.120 121.822 1.298 17610 4813 1 6 . 1 1 17 17 ALA HA H 11 4.547 4.547 4.641 -0.094 17610 4814 1 6 . 1 1 17 17 ALA C C 11 177.371 177.371 175.844 1.527 17610 4815 1 6 . 1 1 17 17 ALA CA C 11 52.236 52.236 51.952 0.284 17610 4816 1 6 . 1 1 17 17 ALA CB C 11 19.807 19.807 20.534 -0.727 17610 4817 1 6 . 1 1 17 17 ALA H H 11 9.054 9.054 7.655 1.399 17610 4818 1 6 . 1 1 18 18 GLY N N 12 107.391 107.391 105.873 1.518 17610 4819 1 6 . 1 1 18 18 GLY C C 12 176.858 176.858 174.440 2.418 17610 4820 1 6 . 1 1 18 18 GLY CA C 12 46.465 46.465 45.201 1.264 17610 4821 1 6 . 1 1 18 18 GLY H H 12 8.694 8.694 8.707 -0.013 17610 4822 1 6 . 1 1 19 19 GLY N N 13 114.596 114.596 107.832 6.764 17610 4823 1 6 . 1 1 19 19 GLY C C 13 174.661 174.661 173.523 1.138 17610 4824 1 6 . 1 1 19 19 GLY CA C 13 46.545 46.545 45.476 1.069 17610 4825 1 6 . 1 1 19 19 GLY H H 13 8.916 8.916 7.812 1.104 17610 4826 1 6 . 1 1 20 20 VAL N N 14 113.376 113.376 114.423 -1.047 17610 4827 1 6 . 1 1 20 20 VAL HA H 14 4.008 4.008 4.428 -0.420 17610 4828 1 6 . 1 1 20 20 VAL C C 14 174.469 174.469 176.131 -1.662 17610 4829 1 6 . 1 1 20 20 VAL CA C 14 62.825 62.825 60.710 2.115 17610 4830 1 6 . 1 1 20 20 VAL CB C 14 31.740 31.740 33.074 -1.333 17610 4831 1 6 . 1 1 20 20 VAL H H 14 7.427 7.427 7.614 -0.187 17610 4832 1 6 . 1 1 21 21 GLY N N 15 109.392 109.392 107.916 1.476 17610 4833 1 6 . 1 1 21 21 GLY C C 15 173.254 173.254 175.363 -2.109 17610 4834 1 6 . 1 1 21 21 GLY CA C 15 45.708 45.708 44.943 0.765 17610 4835 1 6 . 1 1 21 21 GLY H H 15 8.388 8.388 8.368 0.020 17610 4836 1 6 . 1 1 22 22 LYS N N 16 124.844 124.844 120.929 3.915 17610 4837 1 6 . 1 1 22 22 LYS HA H 16 3.537 3.537 3.895 -0.358 17610 4838 1 6 . 1 1 22 22 LYS C C 16 179.106 179.106 177.910 1.196 17610 4839 1 6 . 1 1 22 22 LYS CA C 16 60.990 60.990 59.542 1.448 17610 4840 1 6 . 1 1 22 22 LYS CB C 16 29.967 29.967 32.333 -2.366 17610 4841 1 6 . 1 1 22 22 LYS H H 16 9.097 9.097 8.315 0.782 17610 4842 1 6 . 1 1 23 23 SER N N 17 121.228 121.228 114.874 6.354 17610 4843 1 6 . 1 1 23 23 SER HA H 17 4.292 4.292 4.214 0.078 17610 4844 1 6 . 1 1 23 23 SER C C 17 175.697 175.697 176.420 -0.723 17610 4845 1 6 . 1 1 23 23 SER CA C 17 61.346 61.346 62.219 -0.873 17610 4846 1 6 . 1 1 23 23 SER CB C 17 61.337 61.337 62.713 -1.376 17610 4847 1 6 . 1 1 23 23 SER H H 17 9.546 9.546 8.412 1.134 17610 4848 1 6 . 1 1 24 24 ALA N N 18 126.557 126.557 124.685 1.872 17610 4849 1 6 . 1 1 24 24 ALA HA H 18 3.946 3.946 4.045 -0.099 17610 4850 1 6 . 1 1 24 24 ALA C C 18 181.834 181.834 180.421 1.413 17610 4851 1 6 . 1 1 24 24 ALA CA C 18 54.587 54.587 54.818 -0.231 17610 4852 1 6 . 1 1 24 24 ALA CB C 18 18.539 18.539 18.122 0.417 17610 4853 1 6 . 1 1 24 24 ALA H H 18 9.189 9.189 8.184 1.005 17610 4854 1 6 . 1 1 25 25 LEU N N 19 121.712 121.712 118.709 3.003 17610 4855 1 6 . 1 1 25 25 LEU HA H 19 3.878 3.878 3.978 -0.100 17610 4856 1 6 . 1 1 25 25 LEU C C 19 177.485 177.485 179.391 -1.906 17610 4857 1 6 . 1 1 25 25 LEU CA C 19 58.729 58.729 58.079 0.650 17610 4858 1 6 . 1 1 25 25 LEU CB C 19 43.227 43.227 42.032 1.195 17610 4859 1 6 . 1 1 25 25 LEU H H 19 8.817 8.817 7.817 1.000 17610 4860 1 6 . 1 1 26 26 THR N N 20 118.148 118.148 115.808 2.340 17610 4861 1 6 . 1 1 26 26 THR HA H 20 3.401 3.401 4.034 -0.633 17610 4862 1 6 . 1 1 26 26 THR C C 20 175.714 175.714 176.354 -0.640 17610 4863 1 6 . 1 1 26 26 THR CA C 20 68.122 68.122 67.096 1.026 17610 4864 1 6 . 1 1 26 26 THR CB C 20 68.196 68.196 69.046 -0.850 17610 4865 1 6 . 1 1 26 26 THR H H 20 7.517 7.517 8.092 -0.575 17610 4866 1 6 . 1 1 27 27 ILE N N 21 121.987 121.987 120.687 1.300 17610 4867 1 6 . 1 1 27 27 ILE HA H 21 3.302 3.302 3.418 -0.116 17610 4868 1 6 . 1 1 27 27 ILE C C 21 175.380 175.380 177.820 -2.440 17610 4869 1 6 . 1 1 27 27 ILE CA C 21 64.278 64.278 64.617 -0.339 17610 4870 1 6 . 1 1 27 27 ILE CB C 21 36.758 36.758 37.707 -0.949 17610 4871 1 6 . 1 1 27 27 ILE H H 21 8.950 8.950 8.167 0.783 17610 4872 1 6 . 1 1 28 28 GLN N N 22 121.898 121.898 119.013 2.885 17610 4873 1 6 . 1 1 28 28 GLN HA H 22 4.334 4.334 4.050 0.284 17610 4874 1 6 . 1 1 28 28 GLN C C 22 179.058 179.058 178.424 0.634 17610 4875 1 6 . 1 1 28 28 GLN CA C 22 58.796 58.796 58.667 0.129 17610 4876 1 6 . 1 1 28 28 GLN CB C 22 29.752 29.752 28.432 1.320 17610 4877 1 6 . 1 1 28 28 GLN H H 22 8.094 8.094 8.063 0.031 17610 4878 1 6 . 1 1 29 29 LEU N N 23 121.426 121.426 116.779 4.647 17610 4879 1 6 . 1 1 29 29 LEU HA H 23 3.765 3.765 3.966 -0.201 17610 4880 1 6 . 1 1 29 29 LEU C C 23 178.155 178.155 176.820 1.335 17610 4881 1 6 . 1 1 29 29 LEU CA C 23 58.304 58.304 55.399 2.905 17610 4882 1 6 . 1 1 29 29 LEU CB C 23 40.637 40.637 40.552 0.085 17610 4883 1 6 . 1 1 29 29 LEU H H 23 7.746 7.746 7.274 0.472 17610 4884 1 6 . 1 1 30 30 ILE N N 24 115.325 115.325 116.682 -1.357 17610 4885 1 6 . 1 1 30 30 ILE HA H 24 3.697 3.697 4.069 -0.372 17610 4886 1 6 . 1 1 30 30 ILE C C 24 177.421 177.421 178.138 -0.717 17610 4887 1 6 . 1 1 30 30 ILE CA C 24 62.050 62.050 61.948 0.102 17610 4888 1 6 . 1 1 30 30 ILE CB C 24 37.183 37.183 38.767 -1.584 17610 4889 1 6 . 1 1 30 30 ILE H H 24 8.115 8.115 7.368 0.747 17610 4890 1 6 . 1 1 31 31 GLN N N 25 117.213 117.213 118.537 -1.324 17610 4891 1 6 . 1 1 31 31 GLN HA H 25 4.539 4.539 4.115 0.424 17610 4892 1 6 . 1 1 31 31 GLN C C 25 176.149 176.149 176.034 0.115 17610 4893 1 6 . 1 1 31 31 GLN CA C 25 55.234 55.234 56.723 -1.489 17610 4894 1 6 . 1 1 31 31 GLN CB C 25 30.184 30.184 29.729 0.455 17610 4895 1 6 . 1 1 31 31 GLN H H 25 8.887 8.887 8.332 0.555 17610 4896 1 6 . 1 1 32 32 ASN N N 26 117.820 117.820 116.458 1.362 17610 4897 1 6 . 1 1 32 32 ASN HA H 26 4.807 4.807 4.556 0.251 17610 4898 1 6 . 1 1 32 32 ASN C C 26 174.051 174.051 173.332 0.719 17610 4899 1 6 . 1 1 32 32 ASN CA C 26 54.310 54.310 54.337 -0.028 17610 4900 1 6 . 1 1 32 32 ASN CB C 26 37.184 37.184 36.710 0.474 17610 4901 1 6 . 1 1 32 32 ASN H H 26 7.982 7.982 8.282 -0.300 17610 4902 1 6 . 1 1 33 33 HIS N N 27 112.968 112.968 114.210 -1.242 17610 4903 1 6 . 1 1 33 33 HIS HA H 27 4.889 4.889 4.800 0.089 17610 4904 1 6 . 1 1 33 33 HIS C C 27 172.514 172.514 172.961 -0.447 17610 4905 1 6 . 1 1 33 33 HIS CA C 27 54.314 54.314 55.003 -0.689 17610 4906 1 6 . 1 1 33 33 HIS CB C 27 32.616 32.616 30.849 1.767 17610 4907 1 6 . 1 1 33 33 HIS H H 27 6.804 6.804 7.682 -0.878 17610 4908 1 6 . 1 1 34 34 PHE N N 28 123.605 123.605 120.908 2.697 17610 4909 1 6 . 1 1 34 34 PHE HA H 28 4.914 4.914 4.359 0.555 17610 4910 1 6 . 1 1 34 34 PHE C C 28 174.641 174.641 173.744 0.897 17610 4911 1 6 . 1 1 34 34 PHE CA C 28 55.754 55.754 60.175 -4.421 17610 4912 1 6 . 1 1 34 34 PHE CB C 28 40.573 40.573 40.051 0.522 17610 4913 1 6 . 1 1 34 34 PHE H H 28 8.462 8.462 8.640 -0.178 17610 4914 1 6 . 1 1 35 35 VAL N N 29 126.695 126.695 113.771 12.924 17610 4915 1 6 . 1 1 35 35 VAL HA H 29 3.911 3.911 3.699 0.212 17610 4916 1 6 . 1 1 35 35 VAL C C 29 173.764 173.764 173.919 -0.155 17610 4917 1 6 . 1 1 35 35 VAL CA C 29 61.275 61.275 62.649 -1.374 17610 4918 1 6 . 1 1 35 35 VAL CB C 29 33.154 33.154 34.382 -1.228 17610 4919 1 6 . 1 1 35 35 VAL H H 29 7.537 7.537 7.579 -0.042 17610 4920 1 6 . 1 1 36 36 ASP N N 30 123.271 123.271 125.515 -2.244 17610 4921 1 6 . 1 1 36 36 ASP HA H 30 4.185 4.185 4.887 -0.702 17610 4922 1 6 . 1 1 36 36 ASP C C 30 176.129 176.129 176.005 0.124 17610 4923 1 6 . 1 1 36 36 ASP CA C 30 54.662 54.662 55.533 -0.871 17610 4924 1 6 . 1 1 36 36 ASP CB C 30 41.323 41.323 41.380 -0.057 17610 4925 1 6 . 1 1 36 36 ASP H H 30 7.618 7.618 9.086 -1.468 17610 4926 1 6 . 1 1 37 37 GLU N N 31 119.730 119.730 122.490 -2.760 17610 4927 1 6 . 1 1 37 37 GLU HA H 31 4.262 4.262 4.464 -0.202 17610 4928 1 6 . 1 1 37 37 GLU C C 31 174.901 174.901 175.174 -0.273 17610 4929 1 6 . 1 1 37 37 GLU CA C 31 56.137 56.137 55.919 0.218 17610 4930 1 6 . 1 1 37 37 GLU CB C 31 30.459 30.459 27.719 2.740 17610 4931 1 6 . 1 1 37 37 GLU H H 31 7.857 7.857 8.364 -0.507 17610 4932 1 6 . 1 1 38 38 TYR N N 32 123.296 123.296 119.079 4.217 17610 4933 1 6 . 1 1 38 38 TYR HA H 32 4.486 4.486 4.866 -0.380 17610 4934 1 6 . 1 1 38 38 TYR C C 32 174.370 174.370 174.332 0.038 17610 4935 1 6 . 1 1 38 38 TYR CA C 32 57.511 57.511 57.661 -0.150 17610 4936 1 6 . 1 1 38 38 TYR CB C 32 39.199 39.199 40.227 -1.028 17610 4937 1 6 . 1 1 38 38 TYR H H 32 8.244 8.244 7.479 0.765 17610 4938 1 6 . 1 1 39 39 ASP N N 33 127.452 127.452 123.666 3.786 17610 4939 1 6 . 1 1 39 39 ASP HA H 33 4.891 4.891 4.905 -0.014 17610 4940 1 6 . 1 1 39 39 ASP CA C 33 51.207 51.207 51.036 0.171 17610 4941 1 6 . 1 1 39 39 ASP CB C 33 41.837 41.837 43.427 -1.590 17610 4942 1 6 . 1 1 39 39 ASP H H 33 8.158 8.158 8.311 -0.153 17610 4943 1 6 . 1 1 40 40 PRO HA H 34 4.405 4.405 4.666 -0.261 17610 4944 1 6 . 1 1 40 40 PRO C C 34 176.938 176.938 176.691 0.247 17610 4945 1 6 . 1 1 40 40 PRO CA C 34 63.068 63.068 62.603 0.465 17610 4946 1 6 . 1 1 40 40 PRO CB C 34 32.089 32.089 32.509 -0.420 17610 4947 1 6 . 1 1 41 41 SER N N 35 117.575 117.575 112.864 4.711 17610 4948 1 6 . 1 1 41 41 SER HA H 35 4.433 4.433 4.159 0.274 17610 4949 1 6 . 1 1 41 41 SER C C 35 174.777 174.777 173.703 1.074 17610 4950 1 6 . 1 1 41 41 SER CA C 35 58.346 58.346 59.029 -0.683 17610 4951 1 6 . 1 1 41 41 SER CB C 35 63.704 63.704 62.077 1.627 17610 4952 1 6 . 1 1 41 41 SER H H 35 8.495 8.495 8.721 -0.226 17610 4953 1 6 . 1 1 42 42 ILE N N 36 123.018 123.018 114.181 8.837 17610 4954 1 6 . 1 1 42 42 ILE HA H 36 4.219 4.219 4.503 -0.284 17610 4955 1 6 . 1 1 42 42 ILE C C 36 175.966 175.966 174.944 1.022 17610 4956 1 6 . 1 1 42 42 ILE CA C 36 61.665 61.665 59.466 2.199 17610 4957 1 6 . 1 1 42 42 ILE CB C 36 38.745 38.745 39.581 -0.836 17610 4958 1 6 . 1 1 42 42 ILE H H 36 7.919 7.919 7.485 0.434 17610 4959 1 6 . 1 1 43 43 GLU N N 37 124.699 124.699 121.028 3.671 17610 4960 1 6 . 1 1 43 43 GLU HA H 37 4.381 4.381 4.238 0.143 17610 4961 1 6 . 1 1 43 43 GLU C C 37 179.069 179.069 175.999 3.070 17610 4962 1 6 . 1 1 43 43 GLU CA C 37 56.223 56.223 56.783 -0.561 17610 4963 1 6 . 1 1 43 43 GLU CB C 37 30.616 30.616 30.026 0.590 17610 4964 1 6 . 1 1 43 43 GLU H H 37 8.201 8.201 8.604 -0.403 17610 4965 1 6 . 1 1 44 44 ASP N N 38 121.902 121.902 114.780 7.122 17610 4966 1 6 . 1 1 44 44 ASP HA H 38 4.622 4.622 4.152 0.470 17610 4967 1 6 . 1 1 44 44 ASP C C 38 174.634 174.634 174.015 0.619 17610 4968 1 6 . 1 1 44 44 ASP CA C 38 54.095 54.095 55.286 -1.191 17610 4969 1 6 . 1 1 44 44 ASP CB C 38 41.837 41.837 40.268 1.569 17610 4970 1 6 . 1 1 44 44 ASP H H 38 8.094 8.094 8.190 -0.096 17610 4971 1 6 . 1 1 45 45 SER N N 39 114.779 114.779 112.804 1.975 17610 4972 1 6 . 1 1 45 45 SER HA H 39 4.923 4.923 4.670 0.253 17610 4973 1 6 . 1 1 45 45 SER C C 39 173.339 173.339 173.521 -0.182 17610 4974 1 6 . 1 1 45 45 SER CA C 39 57.023 57.023 57.824 -0.801 17610 4975 1 6 . 1 1 45 45 SER CB C 39 64.751 64.751 64.472 0.279 17610 4976 1 6 . 1 1 45 45 SER H H 39 7.792 7.792 7.273 0.519 17610 4977 1 6 . 1 1 46 46 TYR N N 40 124.235 124.235 124.302 -0.067 17610 4978 1 6 . 1 1 46 46 TYR HA H 40 4.662 4.662 4.726 -0.064 17610 4979 1 6 . 1 1 46 46 TYR C C 40 173.910 173.910 174.033 -0.123 17610 4980 1 6 . 1 1 46 46 TYR CA C 40 56.944 56.944 56.651 0.293 17610 4981 1 6 . 1 1 46 46 TYR CB C 40 41.323 41.323 42.083 -0.760 17610 4982 1 6 . 1 1 46 46 TYR H H 40 8.976 8.976 8.932 0.044 17610 4983 1 6 . 1 1 47 47 ARG N N 41 121.906 121.906 118.996 2.910 17610 4984 1 6 . 1 1 47 47 ARG HA H 41 5.802 5.802 4.980 0.822 17610 4985 1 6 . 1 1 47 47 ARG C C 41 176.150 176.150 174.794 1.356 17610 4986 1 6 . 1 1 47 47 ARG CA C 41 54.129 54.129 55.405 -1.276 17610 4987 1 6 . 1 1 47 47 ARG CB C 41 34.105 34.105 32.524 1.581 17610 4988 1 6 . 1 1 47 47 ARG H H 41 8.238 8.238 8.645 -0.407 17610 4989 1 6 . 1 1 48 48 LYS N N 42 123.924 123.924 124.444 -0.520 17610 4990 1 6 . 1 1 48 48 LYS HA H 42 4.508 4.508 4.621 -0.113 17610 4991 1 6 . 1 1 48 48 LYS C C 42 173.710 173.710 174.704 -0.994 17610 4992 1 6 . 1 1 48 48 LYS CA C 42 55.651 55.651 54.437 1.214 17610 4993 1 6 . 1 1 48 48 LYS CB C 42 38.139 38.139 36.052 2.087 17610 4994 1 6 . 1 1 48 48 LYS H H 42 8.705 8.705 8.771 -0.066 17610 4995 1 6 . 1 1 49 49 GLN N N 43 130.301 130.301 126.247 4.054 17610 4996 1 6 . 1 1 49 49 GLN HA H 43 5.230 5.230 4.510 0.720 17610 4997 1 6 . 1 1 49 49 GLN C C 43 175.254 175.254 174.799 0.455 17610 4998 1 6 . 1 1 49 49 GLN CA C 43 55.496 55.496 55.267 0.229 17610 4999 1 6 . 1 1 49 49 GLN CB C 43 29.892 29.892 29.841 0.051 17610 5000 1 6 . 1 1 49 49 GLN H H 43 8.897 8.897 8.673 0.224 17610 5001 1 6 . 1 1 50 50 VAL N N 44 122.354 122.354 120.819 1.535 17610 5002 1 6 . 1 1 50 50 VAL HA H 44 4.772 4.772 4.688 0.084 17610 5003 1 6 . 1 1 50 50 VAL C C 44 173.116 173.116 173.249 -0.133 17610 5004 1 6 . 1 1 50 50 VAL CA C 44 59.238 59.238 59.323 -0.085 17610 5005 1 6 . 1 1 50 50 VAL CB C 44 35.888 35.888 35.760 0.128 17610 5006 1 6 . 1 1 50 50 VAL H H 44 9.104 9.104 8.366 0.738 17610 5007 1 6 . 1 1 51 51 VAL N N 45 122.385 122.385 120.844 1.541 17610 5008 1 6 . 1 1 51 51 VAL HA H 45 4.462 4.462 4.330 0.132 17610 5009 1 6 . 1 1 51 51 VAL C C 45 175.450 175.450 175.307 0.143 17610 5010 1 6 . 1 1 51 51 VAL CA C 45 61.832 61.832 61.529 0.303 17610 5011 1 6 . 1 1 51 51 VAL CB C 45 32.228 32.228 31.039 1.189 17610 5012 1 6 . 1 1 51 51 VAL H H 45 8.100 8.100 8.334 -0.234 17610 5013 1 6 . 1 1 52 52 ILE N N 46 126.953 126.953 127.954 -1.001 17610 5014 1 6 . 1 1 52 52 ILE HA H 46 3.995 3.995 4.231 -0.236 17610 5015 1 6 . 1 1 52 52 ILE C C 46 176.424 176.424 176.023 0.401 17610 5016 1 6 . 1 1 52 52 ILE CA C 46 60.343 60.343 60.273 0.070 17610 5017 1 6 . 1 1 52 52 ILE CB C 46 40.096 40.096 39.923 0.173 17610 5018 1 6 . 1 1 52 52 ILE H H 46 8.118 8.118 7.842 0.276 17610 5019 1 6 . 1 1 53 53 ASP N N 47 132.206 132.206 127.484 4.722 17610 5020 1 6 . 1 1 53 53 ASP HA H 47 4.267 4.267 4.361 -0.094 17610 5021 1 6 . 1 1 53 53 ASP C C 47 176.121 176.121 176.488 -0.367 17610 5022 1 6 . 1 1 53 53 ASP CA C 47 55.267 55.267 54.664 0.602 17610 5023 1 6 . 1 1 53 53 ASP CB C 47 39.203 39.203 40.315 -1.112 17610 5024 1 6 . 1 1 53 53 ASP H H 47 9.605 9.605 9.184 0.421 17610 5025 1 6 . 1 1 54 54 GLY N N 48 104.275 104.275 105.172 -0.897 17610 5026 1 6 . 1 1 54 54 GLY C C 48 173.219 173.219 173.686 -0.467 17610 5027 1 6 . 1 1 54 54 GLY CA C 48 45.318 45.318 45.663 -0.345 17610 5028 1 6 . 1 1 54 54 GLY H H 48 8.332 8.332 8.574 -0.242 17610 5029 1 6 . 1 1 55 55 GLU N N 49 123.384 123.384 119.586 3.798 17610 5030 1 6 . 1 1 55 55 GLU HA H 49 4.691 4.691 4.573 0.118 17610 5031 1 6 . 1 1 55 55 GLU C C 49 175.614 175.614 175.401 0.213 17610 5032 1 6 . 1 1 55 55 GLU CA C 49 54.719 54.719 55.156 -0.436 17610 5033 1 6 . 1 1 55 55 GLU CB C 49 31.803 31.803 32.126 -0.323 17610 5034 1 6 . 1 1 55 55 GLU H H 49 7.684 7.684 7.557 0.127 17610 5035 1 6 . 1 1 56 56 THR N N 50 127.153 127.153 123.208 3.945 17610 5036 1 6 . 1 1 56 56 THR HA H 50 4.727 4.727 4.443 0.284 17610 5037 1 6 . 1 1 56 56 THR C C 50 173.530 173.530 174.270 -0.740 17610 5038 1 6 . 1 1 56 56 THR CA C 50 63.521 63.521 64.204 -0.683 17610 5039 1 6 . 1 1 56 56 THR CB C 50 68.478 68.478 69.061 -0.583 17610 5040 1 6 . 1 1 56 56 THR H H 50 8.951 8.951 8.593 0.358 17610 5041 1 6 . 1 1 57 57 CYS N N 51 124.835 124.835 125.506 -0.671 17610 5042 1 6 . 1 1 57 57 CYS HA H 51 5.086 5.086 5.094 -0.008 17610 5043 1 6 . 1 1 57 57 CYS C C 51 170.937 170.937 173.295 -2.358 17610 5044 1 6 . 1 1 57 57 CYS CA C 51 56.423 56.423 58.262 -1.839 17610 5045 1 6 . 1 1 57 57 CYS CB C 51 31.549 31.549 31.865 -0.316 17610 5046 1 6 . 1 1 57 57 CYS H H 51 9.424 9.424 8.985 0.439 17610 5047 1 6 . 1 1 58 58 LEU N N 52 123.111 123.111 123.306 -0.195 17610 5048 1 6 . 1 1 58 58 LEU HA H 52 4.943 4.943 4.699 0.244 17610 5049 1 6 . 1 1 58 58 LEU C C 52 175.044 175.044 175.734 -0.690 17610 5050 1 6 . 1 1 58 58 LEU CA C 52 53.372 53.372 54.618 -1.246 17610 5051 1 6 . 1 1 58 58 LEU CB C 52 44.304 44.304 43.333 0.971 17610 5052 1 6 . 1 1 58 58 LEU H H 52 8.803 8.803 8.564 0.239 17610 5053 1 6 . 1 1 59 59 LEU N N 53 124.540 124.540 124.559 -0.019 17610 5054 1 6 . 1 1 59 59 LEU HA H 53 4.888 4.888 4.749 0.139 17610 5055 1 6 . 1 1 59 59 LEU C C 53 174.358 174.358 175.012 -0.654 17610 5056 1 6 . 1 1 59 59 LEU CA C 53 53.490 53.490 53.874 -0.384 17610 5057 1 6 . 1 1 59 59 LEU CB C 53 42.195 42.195 43.147 -0.952 17610 5058 1 6 . 1 1 59 59 LEU H H 53 9.054 9.054 9.405 -0.351 17610 5059 1 6 . 1 1 60 60 ASP N N 54 126.666 126.666 126.738 -0.072 17610 5060 1 6 . 1 1 60 60 ASP HA H 54 5.225 5.225 5.159 0.066 17610 5061 1 6 . 1 1 60 60 ASP C C 54 174.846 174.846 175.093 -0.247 17610 5062 1 6 . 1 1 60 60 ASP CA C 54 53.040 53.040 52.388 0.652 17610 5063 1 6 . 1 1 60 60 ASP CB C 54 42.622 42.622 41.386 1.236 17610 5064 1 6 . 1 1 60 60 ASP H H 54 8.739 8.739 8.602 0.137 17610 5065 1 6 . 1 1 61 61 ILE N N 55 125.100 125.100 125.534 -0.434 17610 5066 1 6 . 1 1 61 61 ILE HA H 55 4.690 4.690 4.220 0.470 17610 5067 1 6 . 1 1 61 61 ILE C C 55 174.745 174.745 174.626 0.119 17610 5068 1 6 . 1 1 61 61 ILE CA C 55 60.331 60.331 59.502 0.829 17610 5069 1 6 . 1 1 61 61 ILE CB C 55 39.682 39.682 36.812 2.870 17610 5070 1 6 . 1 1 61 61 ILE H H 55 9.115 9.115 8.085 1.030 17610 5071 1 6 . 1 1 62 62 LEU N N 56 131.208 131.208 129.754 1.454 17610 5072 1 6 . 1 1 62 62 LEU HA H 56 4.667 4.667 4.557 0.110 17610 5073 1 6 . 1 1 62 62 LEU C C 56 174.063 174.063 174.172 -0.109 17610 5074 1 6 . 1 1 62 62 LEU CA C 56 53.795 53.795 54.129 -0.334 17610 5075 1 6 . 1 1 62 62 LEU CB C 56 42.256 42.256 44.806 -2.550 17610 5076 1 6 . 1 1 62 62 LEU H H 56 9.014 9.014 8.668 0.346 17610 5077 1 6 . 1 1 63 63 ASP N N 57 128.415 128.415 125.598 2.817 17610 5078 1 6 . 1 1 63 63 ASP HA H 57 4.783 4.783 4.915 -0.132 17610 5079 1 6 . 1 1 63 63 ASP C C 57 176.341 176.341 175.594 0.747 17610 5080 1 6 . 1 1 63 63 ASP CA C 57 52.988 52.988 53.517 -0.530 17610 5081 1 6 . 1 1 63 63 ASP CB C 57 41.837 41.837 43.169 -1.332 17610 5082 1 6 . 1 1 63 63 ASP H H 57 8.657 8.657 8.168 0.489 17610 5083 1 6 . 1 1 64 64 THR N N 58 114.950 114.950 118.085 -3.135 17610 5084 1 6 . 1 1 64 64 THR HA H 58 4.425 4.425 4.196 0.229 17610 5085 1 6 . 1 1 64 64 THR C C 58 172.734 172.734 174.613 -1.879 17610 5086 1 6 . 1 1 64 64 THR CA C 58 61.488 61.488 60.953 0.535 17610 5087 1 6 . 1 1 64 64 THR CB C 58 71.398 71.398 70.213 1.185 17610 5088 1 6 . 1 1 64 64 THR H H 58 7.369 7.369 7.894 -0.525 17610 5089 1 6 . 1 1 65 65 ALA N N 59 123.940 123.940 121.113 2.827 17610 5090 1 6 . 1 1 65 65 ALA HA H 59 4.764 4.764 4.247 0.517 17610 5091 1 6 . 1 1 65 65 ALA C C 59 179.480 179.480 178.397 1.083 17610 5092 1 6 . 1 1 65 65 ALA CA C 59 51.422 51.422 52.241 -0.819 17610 5093 1 6 . 1 1 65 65 ALA CB C 59 20.796 20.796 19.246 1.550 17610 5094 1 6 . 1 1 65 65 ALA H H 59 8.329 8.329 8.416 -0.087 17610 5095 1 6 . 1 1 66 66 GLY N N 60 112.527 112.527 108.687 3.840 17610 5096 1 6 . 1 1 66 66 GLY C C 60 174.938 174.938 173.423 1.515 17610 5097 1 6 . 1 1 66 66 GLY CA C 60 46.057 46.057 44.977 1.080 17610 5098 1 6 . 1 1 66 66 GLY H H 60 9.397 9.397 8.576 0.821 17610 5099 1 6 . 1 1 67 67 GLN N N 61 120.877 120.877 121.445 -0.568 17610 5100 1 6 . 1 1 67 67 GLN HA H 61 4.422 4.422 4.014 0.408 17610 5101 1 6 . 1 1 67 67 GLN C C 61 176.298 176.298 173.903 2.395 17610 5102 1 6 . 1 1 67 67 GLN CA C 61 56.355 56.355 56.805 -0.450 17610 5103 1 6 . 1 1 67 67 GLN CB C 61 29.438 29.438 28.578 0.860 17610 5104 1 6 . 1 1 67 67 GLN H H 61 8.237 8.237 8.396 -0.159 17610 5105 1 6 . 1 1 68 68 GLU N N 62 123.751 123.751 122.797 0.954 17610 5106 1 6 . 1 1 68 68 GLU HA H 62 4.208 4.208 4.608 -0.400 17610 5107 1 6 . 1 1 68 68 GLU C C 62 177.032 177.032 174.549 2.483 17610 5108 1 6 . 1 1 68 68 GLU CA C 62 57.801 57.801 55.779 2.022 17610 5109 1 6 . 1 1 68 68 GLU CB C 62 29.834 29.834 30.094 -0.260 17610 5110 1 6 . 1 1 68 68 GLU H H 62 8.738 8.738 8.564 0.174 17610 5111 1 6 . 1 1 69 69 GLU N N 63 121.861 121.861 119.406 2.455 17610 5112 1 6 . 1 1 69 69 GLU HA H 63 4.228 4.228 4.510 -0.282 17610 5113 1 6 . 1 1 69 69 GLU C C 63 176.145 176.145 175.974 0.171 17610 5114 1 6 . 1 1 69 69 GLU CA C 63 57.026 57.026 56.197 0.829 17610 5115 1 6 . 1 1 69 69 GLU CB C 63 30.231 30.231 29.695 0.536 17610 5116 1 6 . 1 1 69 69 GLU H H 63 8.607 8.607 8.676 -0.069 17610 5117 1 6 . 1 1 70 70 TYR N N 64 121.801 121.801 121.421 0.380 17610 5118 1 6 . 1 1 70 70 TYR HA H 64 4.587 4.587 4.641 -0.054 17610 5119 1 6 . 1 1 70 70 TYR C C 64 175.965 175.965 176.009 -0.044 17610 5120 1 6 . 1 1 70 70 TYR CA C 64 58.160 58.160 55.977 2.183 17610 5121 1 6 . 1 1 70 70 TYR CB C 64 38.288 38.288 37.830 0.458 17610 5122 1 6 . 1 1 70 70 TYR H H 64 8.225 8.225 7.581 0.644 17610 5123 1 6 . 1 1 71 71 SER N N 65 120.137 120.137 116.595 3.542 17610 5124 1 6 . 1 1 71 71 SER HA H 65 4.269 4.269 4.123 0.146 17610 5125 1 6 . 1 1 71 71 SER C C 65 174.912 174.912 176.198 -1.286 17610 5126 1 6 . 1 1 71 71 SER CA C 65 58.755 58.755 61.218 -2.462 17610 5127 1 6 . 1 1 71 71 SER CB C 65 63.755 63.755 62.687 1.068 17610 5128 1 6 . 1 1 71 71 SER H H 65 7.884 7.884 8.400 -0.516 17610 5129 1 6 . 1 1 72 72 ALA N N 66 127.848 127.848 124.898 2.950 17610 5130 1 6 . 1 1 72 72 ALA HA H 66 4.193 4.193 3.976 0.217 17610 5131 1 6 . 1 1 72 72 ALA C C 66 179.820 179.820 179.410 0.410 17610 5132 1 6 . 1 1 72 72 ALA CA C 66 54.595 54.595 54.708 -0.113 17610 5133 1 6 . 1 1 72 72 ALA CB C 66 18.264 18.264 18.024 0.239 17610 5134 1 6 . 1 1 72 72 ALA H H 66 8.706 8.706 8.401 0.305 17610 5135 1 6 . 1 1 73 73 MET N N 67 118.448 118.448 115.768 2.680 17610 5136 1 6 . 1 1 73 73 MET HA H 67 4.271 4.271 4.158 0.113 17610 5137 1 6 . 1 1 73 73 MET C C 67 177.098 177.098 177.829 -0.731 17610 5138 1 6 . 1 1 73 73 MET CA C 67 56.915 56.915 55.047 1.868 17610 5139 1 6 . 1 1 73 73 MET CB C 67 32.031 32.031 31.190 0.841 17610 5140 1 6 . 1 1 73 73 MET H H 67 8.007 8.007 7.351 0.656 17610 5141 1 6 . 1 1 74 74 ARG N N 68 121.351 121.351 121.552 -0.201 17610 5142 1 6 . 1 1 74 74 ARG HA H 68 3.793 3.793 4.052 -0.259 17610 5143 1 6 . 1 1 74 74 ARG C C 68 177.730 177.730 178.475 -0.745 17610 5144 1 6 . 1 1 74 74 ARG CA C 68 59.093 59.093 60.234 -1.141 17610 5145 1 6 . 1 1 74 74 ARG CB C 68 30.118 30.118 30.237 -0.119 17610 5146 1 6 . 1 1 74 74 ARG H H 68 7.761 7.761 8.270 -0.509 17610 5147 1 6 . 1 1 75 75 ASP N N 69 119.938 119.938 118.290 1.648 17610 5148 1 6 . 1 1 75 75 ASP HA H 69 4.286 4.286 4.444 -0.158 17610 5149 1 6 . 1 1 75 75 ASP C C 69 177.998 177.998 178.175 -0.177 17610 5150 1 6 . 1 1 75 75 ASP CA C 69 57.555 57.555 57.717 -0.162 17610 5151 1 6 . 1 1 75 75 ASP CB C 69 40.401 40.401 40.429 -0.028 17610 5152 1 6 . 1 1 75 75 ASP H H 69 8.077 8.077 7.959 0.118 17610 5153 1 6 . 1 1 76 76 GLN N N 70 119.151 119.151 120.195 -1.044 17610 5154 1 6 . 1 1 76 76 GLN HA H 70 4.050 4.050 4.030 0.020 17610 5155 1 6 . 1 1 76 76 GLN C C 70 178.837 178.837 178.193 0.644 17610 5156 1 6 . 1 1 76 76 GLN CA C 70 58.920 58.920 59.069 -0.149 17610 5157 1 6 . 1 1 76 76 GLN CB C 70 28.063 28.063 28.221 -0.158 17610 5158 1 6 . 1 1 76 76 GLN H H 70 7.789 7.789 7.183 0.606 17610 5159 1 6 . 1 1 77 77 TYR N N 71 119.847 119.847 118.831 1.016 17610 5160 1 6 . 1 1 77 77 TYR HA H 71 4.548 4.548 4.309 0.239 17610 5161 1 6 . 1 1 77 77 TYR C C 71 178.680 178.680 178.738 -0.058 17610 5162 1 6 . 1 1 77 77 TYR CA C 71 58.785 58.785 60.024 -1.239 17610 5163 1 6 . 1 1 77 77 TYR CB C 71 36.986 36.986 37.721 -0.735 17610 5164 1 6 . 1 1 77 77 TYR H H 71 8.131 8.131 7.594 0.537 17610 5165 1 6 . 1 1 78 78 MET N N 72 119.987 119.987 117.448 2.539 17610 5166 1 6 . 1 1 78 78 MET HA H 72 4.402 4.402 4.449 -0.047 17610 5167 1 6 . 1 1 78 78 MET C C 72 177.008 177.008 179.109 -2.101 17610 5168 1 6 . 1 1 78 78 MET CA C 72 59.028 59.028 59.644 -0.616 17610 5169 1 6 . 1 1 78 78 MET CB C 72 32.709 32.709 32.370 0.339 17610 5170 1 6 . 1 1 78 78 MET H H 72 8.380 8.380 7.711 0.669 17610 5171 1 6 . 1 1 79 79 ARG N N 73 117.792 117.792 116.150 1.642 17610 5172 1 6 . 1 1 79 79 ARG HA H 73 3.914 3.914 4.201 -0.287 17610 5173 1 6 . 1 1 79 79 ARG C C 73 178.169 178.169 178.031 0.138 17610 5174 1 6 . 1 1 79 79 ARG CA C 73 59.493 59.493 58.840 0.652 17610 5175 1 6 . 1 1 79 79 ARG CB C 73 30.100 30.100 30.246 -0.146 17610 5176 1 6 . 1 1 79 79 ARG H H 73 7.992 7.992 7.815 0.177 17610 5177 1 6 . 1 1 80 80 THR N N 74 110.012 110.012 107.344 2.668 17610 5178 1 6 . 1 1 80 80 THR HA H 74 4.242 4.242 4.477 -0.235 17610 5179 1 6 . 1 1 80 80 THR C C 74 175.640 175.640 174.720 0.920 17610 5180 1 6 . 1 1 80 80 THR CA C 74 62.863 62.863 62.048 0.815 17610 5181 1 6 . 1 1 80 80 THR CB C 74 69.808 69.808 70.226 -0.418 17610 5182 1 6 . 1 1 80 80 THR H H 74 7.718 7.718 7.622 0.096 17610 5183 1 6 . 1 1 81 81 GLY N N 75 109.297 109.297 109.694 -0.397 17610 5184 1 6 . 1 1 81 81 GLY C C 75 172.419 172.419 173.685 -1.266 17610 5185 1 6 . 1 1 81 81 GLY CA C 75 46.504 46.504 44.029 2.475 17610 5186 1 6 . 1 1 81 81 GLY H H 75 7.852 7.852 7.603 0.249 17610 5187 1 6 . 1 1 82 82 GLU N N 76 122.399 122.399 123.328 -0.929 17610 5188 1 6 . 1 1 82 82 GLU HA H 76 4.523 4.523 4.097 0.426 17610 5189 1 6 . 1 1 82 82 GLU C C 76 176.409 176.409 176.484 -0.075 17610 5190 1 6 . 1 1 82 82 GLU CA C 76 56.469 56.469 59.210 -2.741 17610 5191 1 6 . 1 1 82 82 GLU CB C 76 32.049 32.049 30.287 1.762 17610 5192 1 6 . 1 1 82 82 GLU H H 76 8.879 8.879 8.206 0.673 17610 5193 1 6 . 1 1 83 83 GLY N N 77 102.282 102.282 104.229 -1.947 17610 5194 1 6 . 1 1 83 83 GLY C C 77 170.803 170.803 171.898 -1.095 17610 5195 1 6 . 1 1 83 83 GLY CA C 77 45.453 45.453 44.647 0.806 17610 5196 1 6 . 1 1 83 83 GLY H H 77 7.192 7.192 7.315 -0.123 17610 5197 1 6 . 1 1 84 84 PHE N N 78 122.648 122.648 116.336 6.312 17610 5198 1 6 . 1 1 84 84 PHE HA H 78 5.448 5.448 5.155 0.293 17610 5199 1 6 . 1 1 84 84 PHE C C 78 173.734 173.734 173.712 0.022 17610 5200 1 6 . 1 1 84 84 PHE CA C 78 57.065 57.065 57.560 -0.495 17610 5201 1 6 . 1 1 84 84 PHE CB C 78 42.997 42.997 44.135 -1.138 17610 5202 1 6 . 1 1 84 84 PHE H H 78 8.224 8.224 8.134 0.090 17610 5203 1 6 . 1 1 85 85 LEU N N 79 127.298 127.298 122.766 4.532 17610 5204 1 6 . 1 1 85 85 LEU HA H 79 4.690 4.690 5.157 -0.467 17610 5205 1 6 . 1 1 85 85 LEU C C 79 174.690 174.690 174.929 -0.239 17610 5206 1 6 . 1 1 85 85 LEU CA C 79 53.981 53.981 53.956 0.025 17610 5207 1 6 . 1 1 85 85 LEU CB C 79 43.058 43.058 46.103 -3.045 17610 5208 1 6 . 1 1 85 85 LEU H H 79 9.189 9.189 9.179 0.010 17610 5209 1 6 . 1 1 86 86 CYS N N 80 125.581 125.581 125.700 -0.119 17610 5210 1 6 . 1 1 86 86 CYS HA H 80 4.689 4.689 4.871 -0.182 17610 5211 1 6 . 1 1 86 86 CYS C C 80 172.664 172.664 173.701 -1.037 17610 5212 1 6 . 1 1 86 86 CYS CA C 80 57.767 57.767 58.451 -0.684 17610 5213 1 6 . 1 1 86 86 CYS CB C 80 27.397 27.397 28.388 -0.991 17610 5214 1 6 . 1 1 86 86 CYS H H 80 8.720 8.720 9.387 -0.667 17610 5215 1 6 . 1 1 87 87 VAL N N 81 127.252 127.252 127.224 0.028 17610 5216 1 6 . 1 1 87 87 VAL HA H 81 4.983 4.983 4.772 0.211 17610 5217 1 6 . 1 1 87 87 VAL C C 81 175.119 175.119 174.801 0.318 17610 5218 1 6 . 1 1 87 87 VAL CA C 81 61.275 61.275 61.574 -0.299 17610 5219 1 6 . 1 1 87 87 VAL CB C 81 33.407 33.407 32.374 1.033 17610 5220 1 6 . 1 1 87 87 VAL H H 81 9.028 9.028 9.055 -0.027 17610 5221 1 6 . 1 1 88 88 PHE N N 82 125.157 125.157 125.673 -0.516 17610 5222 1 6 . 1 1 88 88 PHE HA H 82 4.992 4.992 5.168 -0.176 17610 5223 1 6 . 1 1 88 88 PHE C C 82 171.162 171.162 173.046 -1.884 17610 5224 1 6 . 1 1 88 88 PHE CA C 82 55.349 55.349 55.010 0.340 17610 5225 1 6 . 1 1 88 88 PHE CB C 82 40.430 40.430 42.498 -2.068 17610 5226 1 6 . 1 1 88 88 PHE H H 82 9.306 9.306 8.689 0.617 17610 5227 1 6 . 1 1 89 89 ALA N N 83 122.321 122.321 125.380 -3.059 17610 5228 1 6 . 1 1 89 89 ALA HA H 83 5.082 5.082 4.512 0.570 17610 5229 1 6 . 1 1 89 89 ALA C C 83 179.267 179.267 178.496 0.771 17610 5230 1 6 . 1 1 89 89 ALA CA C 83 49.635 49.635 50.313 -0.678 17610 5231 1 6 . 1 1 89 89 ALA CB C 83 21.739 21.739 19.265 2.474 17610 5232 1 6 . 1 1 89 89 ALA H H 83 8.692 8.692 8.447 0.245 17610 5233 1 6 . 1 1 90 90 ILE N N 84 114.459 114.459 119.779 -5.320 17610 5234 1 6 . 1 1 90 90 ILE HA H 84 4.054 4.054 3.496 0.558 17610 5235 1 6 . 1 1 90 90 ILE C C 84 174.164 174.164 176.788 -2.624 17610 5236 1 6 . 1 1 90 90 ILE CA C 84 63.169 63.169 64.237 -1.068 17610 5237 1 6 . 1 1 90 90 ILE CB C 84 38.174 38.174 37.464 0.710 17610 5238 1 6 . 1 1 90 90 ILE H H 84 8.461 8.461 7.478 0.983 17610 5239 1 6 . 1 1 91 91 ASN N N 85 118.240 118.240 116.178 2.062 17610 5240 1 6 . 1 1 91 91 ASN HA H 85 5.049 5.049 4.646 0.403 17610 5241 1 6 . 1 1 91 91 ASN C C 85 174.583 174.583 175.225 -0.642 17610 5242 1 6 . 1 1 91 91 ASN CA C 85 52.161 52.161 54.797 -2.636 17610 5243 1 6 . 1 1 91 91 ASN CB C 85 38.132 38.132 38.293 -0.161 17610 5244 1 6 . 1 1 91 91 ASN H H 85 7.906 7.906 8.553 -0.647 17610 5245 1 6 . 1 1 92 92 ASN N N 86 120.345 120.345 119.049 1.296 17610 5246 1 6 . 1 1 92 92 ASN HA H 86 5.080 5.080 4.962 0.118 17610 5247 1 6 . 1 1 92 92 ASN C C 86 175.090 175.090 175.701 -0.611 17610 5248 1 6 . 1 1 92 92 ASN CA C 86 52.041 52.041 52.571 -0.530 17610 5249 1 6 . 1 1 92 92 ASN CB C 86 39.203 39.203 39.060 0.143 17610 5250 1 6 . 1 1 92 92 ASN H H 86 7.931 7.931 7.476 0.455 17610 5251 1 6 . 1 1 93 93 THR N N 87 125.665 125.665 120.473 5.192 17610 5252 1 6 . 1 1 93 93 THR HA H 87 3.772 3.772 4.167 -0.395 17610 5253 1 6 . 1 1 93 93 THR C C 87 176.012 176.012 176.219 -0.207 17610 5254 1 6 . 1 1 93 93 THR CA C 87 66.753 66.753 66.098 0.655 17610 5255 1 6 . 1 1 93 93 THR CB C 87 68.400 68.400 69.154 -0.754 17610 5256 1 6 . 1 1 93 93 THR H H 87 9.272 9.272 8.519 0.753 17610 5257 1 6 . 1 1 94 94 LYS N N 88 125.404 125.404 121.401 4.003 17610 5258 1 6 . 1 1 94 94 LYS HA H 88 4.186 4.186 4.048 0.138 17610 5259 1 6 . 1 1 94 94 LYS C C 88 178.027 178.027 178.260 -0.233 17610 5260 1 6 . 1 1 94 94 LYS CA C 88 59.359 59.359 59.736 -0.377 17610 5261 1 6 . 1 1 94 94 LYS CB C 88 31.292 31.292 32.131 -0.839 17610 5262 1 6 . 1 1 94 94 LYS H H 88 8.456 8.456 8.373 0.083 17610 5263 1 6 . 1 1 95 95 SER N N 89 115.491 115.491 115.065 0.426 17610 5264 1 6 . 1 1 95 95 SER HA H 89 4.188 4.188 4.490 -0.302 17610 5265 1 6 . 1 1 95 95 SER C C 89 175.751 175.751 176.503 -0.752 17610 5266 1 6 . 1 1 95 95 SER CA C 89 61.751 61.751 61.724 0.027 17610 5267 1 6 . 1 1 95 95 SER CB C 89 63.530 63.530 63.062 0.468 17610 5268 1 6 . 1 1 95 95 SER H H 89 7.970 7.970 7.766 0.204 17610 5269 1 6 . 1 1 96 96 PHE N N 90 125.899 125.899 121.248 4.651 17610 5270 1 6 . 1 1 96 96 PHE HA H 90 4.037 4.037 4.076 -0.039 17610 5271 1 6 . 1 1 96 96 PHE C C 90 177.267 177.267 176.886 0.381 17610 5272 1 6 . 1 1 96 96 PHE CA C 90 59.688 59.688 60.390 -0.702 17610 5273 1 6 . 1 1 96 96 PHE CB C 90 40.175 40.175 38.918 1.257 17610 5274 1 6 . 1 1 96 96 PHE H H 90 7.419 7.419 7.883 -0.464 17610 5275 1 6 . 1 1 97 97 GLU N N 91 122.834 122.834 117.302 5.532 17610 5276 1 6 . 1 1 97 97 GLU HA H 91 3.787 3.787 3.860 -0.073 17610 5277 1 6 . 1 1 97 97 GLU C C 91 179.628 179.628 178.025 1.603 17610 5278 1 6 . 1 1 97 97 GLU CA C 91 59.004 59.004 59.053 -0.049 17610 5279 1 6 . 1 1 97 97 GLU CB C 91 29.261 29.261 29.450 -0.189 17610 5280 1 6 . 1 1 97 97 GLU H H 91 8.449 8.449 7.821 0.628 17610 5281 1 6 . 1 1 98 98 ASP N N 92 118.617 118.617 120.384 -1.767 17610 5282 1 6 . 1 1 98 98 ASP HA H 92 4.553 4.553 4.427 0.126 17610 5283 1 6 . 1 1 98 98 ASP C C 92 177.582 177.582 178.510 -0.928 17610 5284 1 6 . 1 1 98 98 ASP CA C 92 56.171 56.171 56.670 -0.499 17610 5285 1 6 . 1 1 98 98 ASP CB C 92 41.184 41.184 40.270 0.914 17610 5286 1 6 . 1 1 98 98 ASP H H 92 8.492 8.492 7.660 0.832 17610 5287 1 6 . 1 1 99 99 ILE N N 93 121.939 121.939 117.737 4.202 17610 5288 1 6 . 1 1 99 99 ILE HA H 93 3.954 3.954 3.967 -0.013 17610 5289 1 6 . 1 1 99 99 ILE C C 93 177.442 177.442 177.799 -0.357 17610 5290 1 6 . 1 1 99 99 ILE CA C 93 62.370 62.370 62.553 -0.183 17610 5291 1 6 . 1 1 99 99 ILE CB C 93 34.570 34.570 36.235 -1.665 17610 5292 1 6 . 1 1 99 99 ILE H H 93 7.583 7.583 7.647 -0.064 17610 5293 1 6 . 1 1 100 100 HIS N N 94 118.387 118.387 119.606 -1.219 17610 5294 1 6 . 1 1 100 100 HIS HA H 94 4.273 4.273 4.282 -0.009 17610 5295 1 6 . 1 1 100 100 HIS C C 94 177.345 177.345 176.698 0.647 17610 5296 1 6 . 1 1 100 100 HIS CA C 94 60.090 60.090 59.961 0.129 17610 5297 1 6 . 1 1 100 100 HIS CB C 94 30.512 30.512 30.391 0.121 17610 5298 1 6 . 1 1 100 100 HIS H H 94 7.799 7.799 7.336 0.463 17610 5299 1 6 . 1 1 101 101 GLN N N 95 117.673 117.673 118.868 -1.195 17610 5300 1 6 . 1 1 101 101 GLN HA H 95 3.941 3.941 3.843 0.098 17610 5301 1 6 . 1 1 101 101 GLN C C 95 179.155 179.155 178.406 0.749 17610 5302 1 6 . 1 1 101 101 GLN CA C 95 58.371 58.371 58.365 0.006 17610 5303 1 6 . 1 1 101 101 GLN CB C 95 27.807 27.807 27.825 -0.018 17610 5304 1 6 . 1 1 101 101 GLN H H 95 7.468 7.468 7.693 -0.225 17610 5305 1 6 . 1 1 102 102 TYR N N 96 120.407 120.407 120.354 0.053 17610 5306 1 6 . 1 1 102 102 TYR HA H 96 4.064 4.064 4.106 -0.042 17610 5307 1 6 . 1 1 102 102 TYR C C 96 177.660 177.660 178.022 -0.362 17610 5308 1 6 . 1 1 102 102 TYR CA C 96 62.847 62.847 60.989 1.859 17610 5309 1 6 . 1 1 102 102 TYR CB C 96 37.795 37.795 38.095 -0.300 17610 5310 1 6 . 1 1 102 102 TYR H H 96 7.600 7.600 8.547 -0.947 17610 5311 1 6 . 1 1 103 103 ARG N N 97 119.974 119.974 119.210 0.764 17610 5312 1 6 . 1 1 103 103 ARG HA H 97 3.616 3.616 3.677 -0.061 17610 5313 1 6 . 1 1 103 103 ARG C C 97 177.618 177.618 178.344 -0.726 17610 5314 1 6 . 1 1 103 103 ARG CA C 97 59.938 59.938 59.841 0.097 17610 5315 1 6 . 1 1 103 103 ARG CB C 97 28.599 28.599 29.641 -1.042 17610 5316 1 6 . 1 1 103 103 ARG H H 97 8.395 8.395 7.492 0.903 17610 5317 1 6 . 1 1 104 104 GLU N N 98 118.351 118.351 118.422 -0.071 17610 5318 1 6 . 1 1 104 104 GLU HA H 98 3.781 3.781 3.833 -0.052 17610 5319 1 6 . 1 1 104 104 GLU C C 98 178.982 178.982 178.988 -0.006 17610 5320 1 6 . 1 1 104 104 GLU CA C 98 58.900 58.900 59.625 -0.725 17610 5321 1 6 . 1 1 104 104 GLU CB C 98 29.435 29.435 28.811 0.624 17610 5322 1 6 . 1 1 104 104 GLU H H 98 7.970 7.970 7.448 0.522 17610 5323 1 6 . 1 1 105 105 GLN N N 99 121.350 121.350 118.016 3.334 17610 5324 1 6 . 1 1 105 105 GLN HA H 99 3.946 3.946 4.026 -0.080 17610 5325 1 6 . 1 1 105 105 GLN C C 99 177.701 177.701 178.512 -0.811 17610 5326 1 6 . 1 1 105 105 GLN CA C 99 59.037 59.037 59.004 0.033 17610 5327 1 6 . 1 1 105 105 GLN CB C 99 27.938 27.938 28.120 -0.182 17610 5328 1 6 . 1 1 105 105 GLN H H 99 7.907 7.907 7.517 0.390 17610 5329 1 6 . 1 1 106 106 ILE N N 100 121.310 121.310 120.049 1.261 17610 5330 1 6 . 1 1 106 106 ILE HA H 100 3.177 3.177 3.395 -0.218 17610 5331 1 6 . 1 1 106 106 ILE C C 100 177.199 177.199 178.313 -1.114 17610 5332 1 6 . 1 1 106 106 ILE CA C 100 65.682 65.682 64.736 0.946 17610 5333 1 6 . 1 1 106 106 ILE CB C 100 37.874 37.874 37.306 0.568 17610 5334 1 6 . 1 1 106 106 ILE H H 100 7.920 7.920 7.056 0.864 17610 5335 1 6 . 1 1 107 107 LYS N N 101 118.584 118.584 119.759 -1.175 17610 5336 1 6 . 1 1 107 107 LYS HA H 101 3.951 3.951 4.071 -0.120 17610 5337 1 6 . 1 1 107 107 LYS C C 101 179.476 179.476 179.244 0.232 17610 5338 1 6 . 1 1 107 107 LYS CA C 101 59.571 59.571 59.713 -0.142 17610 5339 1 6 . 1 1 107 107 LYS CB C 101 32.227 32.227 31.895 0.332 17610 5340 1 6 . 1 1 107 107 LYS H H 101 7.782 7.782 7.657 0.125 17610 5341 1 6 . 1 1 108 108 ARG N N 102 119.152 119.152 119.096 0.056 17610 5342 1 6 . 1 1 108 108 ARG HA H 102 4.082 4.082 3.919 0.163 17610 5343 1 6 . 1 1 108 108 ARG C C 102 179.582 179.582 178.656 0.926 17610 5344 1 6 . 1 1 108 108 ARG CA C 102 58.946 58.946 59.397 -0.451 17610 5345 1 6 . 1 1 108 108 ARG CB C 102 30.097 30.097 30.219 -0.122 17610 5346 1 6 . 1 1 108 108 ARG H H 102 7.777 7.777 7.478 0.299 17610 5347 1 6 . 1 1 109 109 VAL N N 103 119.544 119.544 118.996 0.548 17610 5348 1 6 . 1 1 109 109 VAL HA H 103 3.837 3.837 3.662 0.175 17610 5349 1 6 . 1 1 109 109 VAL C C 103 177.919 177.919 178.237 -0.318 17610 5350 1 6 . 1 1 109 109 VAL CA C 103 65.393 65.393 65.738 -0.345 17610 5351 1 6 . 1 1 109 109 VAL CB C 103 31.599 31.599 31.517 0.083 17610 5352 1 6 . 1 1 109 109 VAL H H 103 8.282 8.282 7.744 0.538 17610 5353 1 6 . 1 1 110 110 LYS N N 104 117.592 117.592 117.855 -0.263 17610 5354 1 6 . 1 1 110 110 LYS HA H 104 4.269 4.269 4.102 0.167 17610 5355 1 6 . 1 1 110 110 LYS C C 104 175.878 175.878 176.714 -0.836 17610 5356 1 6 . 1 1 110 110 LYS CA C 104 54.797 54.797 57.011 -2.214 17610 5357 1 6 . 1 1 110 110 LYS CB C 104 30.687 30.687 31.993 -1.306 17610 5358 1 6 . 1 1 110 110 LYS H H 104 8.117 8.117 8.273 -0.156 17610 5359 1 6 . 1 1 111 111 ASP N N 105 122.118 122.118 117.445 4.673 17610 5360 1 6 . 1 1 111 111 ASP HA H 105 4.306 4.306 4.376 -0.070 17610 5361 1 6 . 1 1 111 111 ASP C C 105 174.496 174.496 175.013 -0.517 17610 5362 1 6 . 1 1 111 111 ASP CA C 105 54.442 54.442 55.257 -0.815 17610 5363 1 6 . 1 1 111 111 ASP CB C 105 39.792 39.792 39.523 0.269 17610 5364 1 6 . 1 1 111 111 ASP H H 105 7.958 7.958 7.880 0.078 17610 5365 1 6 . 1 1 112 112 SER N N 106 110.372 110.372 112.022 -1.650 17610 5366 1 6 . 1 1 112 112 SER HA H 106 4.565 4.565 4.477 0.088 17610 5367 1 6 . 1 1 112 112 SER C C 106 172.985 172.985 173.943 -0.958 17610 5368 1 6 . 1 1 112 112 SER CA C 106 56.779 56.779 57.990 -1.211 17610 5369 1 6 . 1 1 112 112 SER CB C 106 65.259 65.259 64.466 0.793 17610 5370 1 6 . 1 1 112 112 SER H H 106 7.539 7.539 7.741 -0.202 17610 5371 1 6 . 1 1 113 113 ASP N N 107 123.301 123.301 124.095 -0.794 17610 5372 1 6 . 1 1 113 113 ASP HA H 107 4.665 4.665 4.384 0.281 17610 5373 1 6 . 1 1 113 113 ASP C C 107 176.066 176.066 175.514 0.552 17610 5374 1 6 . 1 1 113 113 ASP CA C 107 54.267 54.267 55.985 -1.718 17610 5375 1 6 . 1 1 113 113 ASP CB C 107 41.837 41.837 41.066 0.772 17610 5376 1 6 . 1 1 113 113 ASP H H 107 8.385 8.385 8.630 -0.245 17610 5377 1 6 . 1 1 114 114 ASP N N 108 122.347 122.347 121.301 1.046 17610 5378 1 6 . 1 1 114 114 ASP HA H 108 4.882 4.882 4.521 0.361 17610 5379 1 6 . 1 1 114 114 ASP C C 108 174.386 174.386 175.022 -0.636 17610 5380 1 6 . 1 1 114 114 ASP CA C 108 53.143 53.143 54.595 -1.452 17610 5381 1 6 . 1 1 114 114 ASP CB C 108 41.323 41.323 40.071 1.252 17610 5382 1 6 . 1 1 114 114 ASP H H 108 8.404 8.404 8.138 0.266 17610 5383 1 6 . 1 1 115 115 VAL N N 109 123.609 123.609 124.939 -1.330 17610 5384 1 6 . 1 1 115 115 VAL HA H 109 4.337 4.337 4.309 0.028 17610 5385 1 6 . 1 1 115 115 VAL CA C 109 58.984 58.984 58.512 0.472 17610 5386 1 6 . 1 1 115 115 VAL CB C 109 34.932 34.932 35.315 -0.383 17610 5387 1 6 . 1 1 115 115 VAL H H 109 7.649 7.649 7.627 0.022 17610 5388 1 6 . 1 1 116 116 PRO HA H 110 4.430 4.430 4.577 -0.147 17610 5389 1 6 . 1 1 116 116 PRO C C 110 175.942 175.942 175.498 0.444 17610 5390 1 6 . 1 1 116 116 PRO CA C 110 63.872 63.872 63.267 0.605 17610 5391 1 6 . 1 1 116 116 PRO CB C 110 32.120 32.120 30.595 1.525 17610 5392 1 6 . 1 1 117 117 MET N N 111 124.020 124.020 120.086 3.934 17610 5393 1 6 . 1 1 117 117 MET HA H 111 5.777 5.777 5.549 0.228 17610 5394 1 6 . 1 1 117 117 MET C C 111 173.737 173.737 174.086 -0.349 17610 5395 1 6 . 1 1 117 117 MET CA C 111 55.094 55.094 54.333 0.761 17610 5396 1 6 . 1 1 117 117 MET CB C 111 37.889 37.889 37.110 0.779 17610 5397 1 6 . 1 1 117 117 MET H H 111 8.274 8.274 7.780 0.494 17610 5398 1 6 . 1 1 118 118 VAL N N 112 118.747 118.747 116.573 2.174 17610 5399 1 6 . 1 1 118 118 VAL HA H 112 4.341 4.341 4.491 -0.150 17610 5400 1 6 . 1 1 118 118 VAL C C 112 173.171 173.171 173.592 -0.421 17610 5401 1 6 . 1 1 118 118 VAL CA C 112 60.943 60.943 60.456 0.487 17610 5402 1 6 . 1 1 118 118 VAL CB C 112 37.030 37.030 36.775 0.255 17610 5403 1 6 . 1 1 118 118 VAL H H 112 8.119 8.119 8.552 -0.433 17610 5404 1 6 . 1 1 119 119 LEU N N 113 129.931 129.931 128.239 1.692 17610 5405 1 6 . 1 1 119 119 LEU HA H 113 5.157 5.157 5.129 0.028 17610 5406 1 6 . 1 1 119 119 LEU C C 113 173.496 173.496 175.299 -1.803 17610 5407 1 6 . 1 1 119 119 LEU CA C 113 53.828 53.828 53.385 0.443 17610 5408 1 6 . 1 1 119 119 LEU CB C 113 43.876 43.876 43.298 0.578 17610 5409 1 6 . 1 1 119 119 LEU H H 113 8.918 8.918 8.077 0.841 17610 5410 1 6 . 1 1 120 120 VAL N N 114 129.371 129.371 127.113 2.258 17610 5411 1 6 . 1 1 120 120 VAL HA H 114 5.117 5.117 5.014 0.103 17610 5412 1 6 . 1 1 120 120 VAL C C 114 173.667 173.667 175.711 -2.044 17610 5413 1 6 . 1 1 120 120 VAL CA C 114 60.124 60.124 60.414 -0.290 17610 5414 1 6 . 1 1 120 120 VAL CB C 114 35.225 35.225 33.512 1.713 17610 5415 1 6 . 1 1 120 120 VAL H H 114 9.173 9.173 9.077 0.096 17610 5416 1 6 . 1 1 121 121 GLY N N 115 115.789 115.789 111.849 3.940 17610 5417 1 6 . 1 1 121 121 GLY C C 115 171.603 171.603 173.739 -2.136 17610 5418 1 6 . 1 1 121 121 GLY CA C 115 45.256 45.256 43.825 1.431 17610 5419 1 6 . 1 1 121 121 GLY H H 115 8.046 8.046 8.545 -0.499 17610 5420 1 6 . 1 1 122 122 ASN N N 116 122.349 122.349 123.602 -1.253 17610 5421 1 6 . 1 1 122 122 ASN HA H 116 5.620 5.620 4.669 0.951 17610 5422 1 6 . 1 1 122 122 ASN C C 116 174.732 174.732 175.146 -0.414 17610 5423 1 6 . 1 1 122 122 ASN CA C 116 51.492 51.492 52.727 -1.235 17610 5424 1 6 . 1 1 122 122 ASN CB C 116 41.323 41.323 39.993 1.330 17610 5425 1 6 . 1 1 122 122 ASN H H 116 8.756 8.756 7.741 1.015 17610 5426 1 6 . 1 1 123 123 LYS N N 117 113.297 113.297 114.971 -1.674 17610 5427 1 6 . 1 1 123 123 LYS HA H 117 4.280 4.280 3.981 0.299 17610 5428 1 6 . 1 1 123 123 LYS C C 117 177.324 177.324 175.052 2.272 17610 5429 1 6 . 1 1 123 123 LYS CA C 117 57.273 57.273 57.357 -0.084 17610 5430 1 6 . 1 1 123 123 LYS CB C 117 29.775 29.775 30.232 -0.457 17610 5431 1 6 . 1 1 123 123 LYS H H 117 7.342 7.342 8.829 -1.487 17610 5432 1 6 . 1 1 124 124 CYS N N 118 115.340 115.340 117.315 -1.975 17610 5433 1 6 . 1 1 124 124 CYS HA H 118 4.292 4.292 4.448 -0.156 17610 5434 1 6 . 1 1 124 124 CYS C C 118 173.325 173.325 175.246 -1.921 17610 5435 1 6 . 1 1 124 124 CYS CA C 118 60.698 60.698 59.235 1.463 17610 5436 1 6 . 1 1 124 124 CYS CB C 118 26.387 26.387 28.327 -1.940 17610 5437 1 6 . 1 1 124 124 CYS H H 118 8.763 8.763 8.684 0.079 17610 5438 1 6 . 1 1 125 125 ASP N N 119 118.603 118.603 120.393 -1.790 17610 5439 1 6 . 1 1 125 125 ASP HA H 119 4.476 4.476 4.462 0.014 17610 5440 1 6 . 1 1 125 125 ASP C C 119 175.464 175.464 176.116 -0.652 17610 5441 1 6 . 1 1 125 125 ASP CA C 119 53.951 53.951 56.086 -2.135 17610 5442 1 6 . 1 1 125 125 ASP CB C 119 41.323 41.323 40.970 0.353 17610 5443 1 6 . 1 1 125 125 ASP H H 119 8.613 8.613 8.507 0.106 17610 5444 1 6 . 1 1 126 126 LEU N N 120 122.098 122.098 117.833 4.265 17610 5445 1 6 . 1 1 126 126 LEU HA H 120 4.241 4.241 4.300 -0.059 17610 5446 1 6 . 1 1 126 126 LEU C C 120 176.420 176.420 176.375 0.045 17610 5447 1 6 . 1 1 126 126 LEU CA C 120 54.723 54.723 54.873 -0.150 17610 5448 1 6 . 1 1 126 126 LEU CB C 120 41.837 41.837 42.349 -0.512 17610 5449 1 6 . 1 1 126 126 LEU H H 120 7.802 7.802 7.632 0.170 17610 5450 1 6 . 1 1 127 127 ALA N N 121 123.959 123.959 120.865 3.094 17610 5451 1 6 . 1 1 127 127 ALA HA H 121 4.214 4.214 4.505 -0.291 17610 5452 1 6 . 1 1 127 127 ALA C C 121 178.717 178.717 176.682 2.035 17610 5453 1 6 . 1 1 127 127 ALA CA C 121 53.179 53.179 51.734 1.445 17610 5454 1 6 . 1 1 127 127 ALA CB C 121 18.871 18.871 19.118 -0.247 17610 5455 1 6 . 1 1 127 127 ALA H H 121 8.160 8.160 8.346 -0.186 17610 5456 1 6 . 1 1 128 128 ALA N N 122 123.078 123.078 122.399 0.679 17610 5457 1 6 . 1 1 128 128 ALA HA H 122 4.524 4.524 4.552 -0.028 17610 5458 1 6 . 1 1 128 128 ALA C C 122 175.272 175.272 175.650 -0.378 17610 5459 1 6 . 1 1 128 128 ALA CA C 122 51.259 51.259 51.374 -0.116 17610 5460 1 6 . 1 1 128 128 ALA CB C 122 17.623 17.623 19.645 -2.022 17610 5461 1 6 . 1 1 128 128 ALA H H 122 7.698 7.698 8.199 -0.501 17610 5462 1 6 . 1 1 129 129 ARG N N 123 121.454 121.454 119.453 2.001 17610 5463 1 6 . 1 1 129 129 ARG HA H 123 4.093 4.093 4.877 -0.784 17610 5464 1 6 . 1 1 129 129 ARG C C 123 176.271 176.271 176.242 0.029 17610 5465 1 6 . 1 1 129 129 ARG CA C 123 55.596 55.596 55.343 0.253 17610 5466 1 6 . 1 1 129 129 ARG CB C 123 32.696 32.696 31.578 1.117 17610 5467 1 6 . 1 1 129 129 ARG H H 123 7.992 7.992 7.836 0.156 17610 5468 1 6 . 1 1 130 130 THR N N 124 115.617 115.617 113.598 2.019 17610 5469 1 6 . 1 1 130 130 THR HA H 124 4.564 4.564 4.420 0.144 17610 5470 1 6 . 1 1 130 130 THR C C 124 174.119 174.119 175.249 -1.130 17610 5471 1 6 . 1 1 130 130 THR CA C 124 61.746 61.746 62.722 -0.976 17610 5472 1 6 . 1 1 130 130 THR CB C 124 69.094 69.094 70.491 -1.397 17610 5473 1 6 . 1 1 130 130 THR H H 124 9.145 9.145 8.865 0.280 17610 5474 1 6 . 1 1 131 131 VAL N N 125 125.688 125.688 124.884 0.804 17610 5475 1 6 . 1 1 131 131 VAL HA H 125 4.015 4.015 4.123 -0.108 17610 5476 1 6 . 1 1 131 131 VAL C C 125 175.658 175.658 175.231 0.427 17610 5477 1 6 . 1 1 131 131 VAL CA C 125 61.373 61.373 61.540 -0.167 17610 5478 1 6 . 1 1 131 131 VAL CB C 125 33.147 33.147 31.267 1.881 17610 5479 1 6 . 1 1 131 131 VAL H H 125 7.618 7.618 8.152 -0.534 17610 5480 1 6 . 1 1 132 132 GLU N N 126 128.319 128.319 128.054 0.265 17610 5481 1 6 . 1 1 132 132 GLU HA H 126 4.228 4.228 4.194 0.034 17610 5482 1 6 . 1 1 132 132 GLU C C 126 177.986 177.986 176.771 1.215 17610 5483 1 6 . 1 1 132 132 GLU CA C 126 56.323 56.323 56.352 -0.029 17610 5484 1 6 . 1 1 132 132 GLU CB C 126 30.158 30.158 30.008 0.150 17610 5485 1 6 . 1 1 132 132 GLU H H 126 8.727 8.727 8.394 0.333 17610 5486 1 6 . 1 1 133 133 SER N N 127 122.970 122.970 117.376 5.594 17610 5487 1 6 . 1 1 133 133 SER HA H 127 4.074 4.074 4.199 -0.125 17610 5488 1 6 . 1 1 133 133 SER C C 127 176.633 176.633 176.662 -0.029 17610 5489 1 6 . 1 1 133 133 SER CA C 127 62.598 62.598 61.446 1.152 17610 5490 1 6 . 1 1 133 133 SER CB C 127 62.511 62.511 63.285 -0.774 17610 5491 1 6 . 1 1 133 133 SER H H 127 9.421 9.421 8.710 0.711 17610 5492 1 6 . 1 1 134 134 ARG N N 128 119.141 119.141 120.983 -1.842 17610 5493 1 6 . 1 1 134 134 ARG HA H 128 4.028 4.028 4.099 -0.071 17610 5494 1 6 . 1 1 134 134 ARG C C 128 177.739 177.739 178.376 -0.637 17610 5495 1 6 . 1 1 134 134 ARG CA C 128 58.785 58.785 59.081 -0.296 17610 5496 1 6 . 1 1 134 134 ARG CB C 128 29.752 29.752 29.250 0.502 17610 5497 1 6 . 1 1 134 134 ARG H H 128 8.675 8.675 8.528 0.147 17610 5498 1 6 . 1 1 135 135 GLN N N 129 118.050 118.050 117.474 0.576 17610 5499 1 6 . 1 1 135 135 GLN HA H 129 4.091 4.091 3.980 0.111 17610 5500 1 6 . 1 1 135 135 GLN C C 129 179.009 179.009 177.809 1.200 17610 5501 1 6 . 1 1 135 135 GLN CA C 129 58.389 58.389 59.203 -0.814 17610 5502 1 6 . 1 1 135 135 GLN CB C 129 28.916 28.916 28.207 0.709 17610 5503 1 6 . 1 1 135 135 GLN H H 129 6.796 6.796 8.507 -1.711 17610 5504 1 6 . 1 1 136 136 ALA N N 130 124.769 124.769 120.943 3.826 17610 5505 1 6 . 1 1 136 136 ALA HA H 130 3.933 3.933 3.788 0.145 17610 5506 1 6 . 1 1 136 136 ALA C C 130 178.155 178.155 179.726 -1.571 17610 5507 1 6 . 1 1 136 136 ALA CA C 130 54.760 54.760 54.507 0.253 17610 5508 1 6 . 1 1 136 136 ALA CB C 130 18.546 18.546 17.882 0.664 17610 5509 1 6 . 1 1 136 136 ALA H H 130 7.017 7.017 7.344 -0.327 17610 5510 1 6 . 1 1 137 137 GLN N N 131 119.215 119.215 118.221 0.994 17610 5511 1 6 . 1 1 137 137 GLN HA H 131 3.720 3.720 3.951 -0.231 17610 5512 1 6 . 1 1 137 137 GLN C C 131 179.387 179.387 178.162 1.225 17610 5513 1 6 . 1 1 137 137 GLN CA C 131 58.815 58.815 58.498 0.317 17610 5514 1 6 . 1 1 137 137 GLN CB C 131 28.503 28.503 28.397 0.106 17610 5515 1 6 . 1 1 137 137 GLN H H 131 8.602 8.602 8.269 0.333 17610 5516 1 6 . 1 1 138 138 ASP N N 132 121.298 121.298 120.374 0.924 17610 5517 1 6 . 1 1 138 138 ASP HA H 132 4.371 4.371 4.379 -0.008 17610 5518 1 6 . 1 1 138 138 ASP C C 132 178.855 178.855 178.253 0.602 17610 5519 1 6 . 1 1 138 138 ASP CA C 132 57.425 57.425 57.172 0.253 17610 5520 1 6 . 1 1 138 138 ASP CB C 132 40.860 40.860 40.757 0.103 17610 5521 1 6 . 1 1 138 138 ASP H H 132 8.203 8.203 8.218 -0.015 17610 5522 1 6 . 1 1 139 139 LEU N N 133 124.786 124.786 120.175 4.611 17610 5523 1 6 . 1 1 139 139 LEU HA H 133 3.888 3.888 4.003 -0.115 17610 5524 1 6 . 1 1 139 139 LEU C C 133 178.953 178.953 177.839 1.114 17610 5525 1 6 . 1 1 139 139 LEU CA C 133 57.827 57.827 57.530 0.297 17610 5526 1 6 . 1 1 139 139 LEU CB C 133 41.837 41.837 42.059 -0.223 17610 5527 1 6 . 1 1 139 139 LEU H H 133 7.485 7.485 7.313 0.172 17610 5528 1 6 . 1 1 140 140 ALA N N 134 123.038 123.038 121.757 1.281 17610 5529 1 6 . 1 1 140 140 ALA HA H 134 3.783 3.783 4.015 -0.232 17610 5530 1 6 . 1 1 140 140 ALA C C 134 179.902 179.902 179.458 0.444 17610 5531 1 6 . 1 1 140 140 ALA CA C 134 55.832 55.832 55.477 0.355 17610 5532 1 6 . 1 1 140 140 ALA CB C 134 18.120 18.120 18.332 -0.212 17610 5533 1 6 . 1 1 140 140 ALA H H 134 8.426 8.426 7.703 0.723 17610 5534 1 6 . 1 1 141 141 ARG N N 135 119.537 119.537 117.372 2.165 17610 5535 1 6 . 1 1 141 141 ARG HA H 135 4.194 4.194 4.035 0.159 17610 5536 1 6 . 1 1 141 141 ARG C C 135 180.037 180.037 178.460 1.577 17610 5537 1 6 . 1 1 141 141 ARG CA C 135 59.331 59.331 58.988 0.343 17610 5538 1 6 . 1 1 141 141 ARG CB C 135 29.864 29.864 30.171 -0.307 17610 5539 1 6 . 1 1 141 141 ARG H H 135 8.459 8.459 8.347 0.112 17610 5540 1 6 . 1 1 142 142 SER N N 136 118.958 118.958 113.531 5.427 17610 5541 1 6 . 1 1 142 142 SER HA H 136 4.277 4.277 4.264 0.013 17610 5542 1 6 . 1 1 142 142 SER C C 136 176.127 176.127 175.411 0.716 17610 5543 1 6 . 1 1 142 142 SER CA C 136 61.509 61.509 60.472 1.037 17610 5544 1 6 . 1 1 142 142 SER CB C 136 62.529 62.529 63.013 -0.484 17610 5545 1 6 . 1 1 142 142 SER H H 136 7.944 7.944 7.670 0.274 17610 5546 1 6 . 1 1 143 143 TYR N N 137 121.309 121.309 118.854 2.455 17610 5547 1 6 . 1 1 143 143 TYR HA H 137 4.907 4.907 4.603 0.304 17610 5548 1 6 . 1 1 143 143 TYR C C 137 176.279 176.279 176.271 0.008 17610 5549 1 6 . 1 1 143 143 TYR CA C 137 54.737 54.737 56.994 -2.257 17610 5550 1 6 . 1 1 143 143 TYR CB C 137 38.830 38.830 38.716 0.114 17610 5551 1 6 . 1 1 143 143 TYR H H 137 7.623 7.623 7.384 0.239 17610 5552 1 6 . 1 1 144 144 GLY N N 138 112.193 112.193 108.222 3.971 17610 5553 1 6 . 1 1 144 144 GLY C C 138 175.077 175.077 174.525 0.552 17610 5554 1 6 . 1 1 144 144 GLY CA C 138 46.439 46.439 45.629 0.810 17610 5555 1 6 . 1 1 144 144 GLY H H 138 8.328 8.328 7.589 0.739 17610 5556 1 6 . 1 1 145 145 ILE N N 139 114.227 114.227 116.279 -2.052 17610 5557 1 6 . 1 1 145 145 ILE HA H 139 5.241 5.241 4.767 0.474 17610 5558 1 6 . 1 1 145 145 ILE CA C 139 58.420 58.420 57.806 0.614 17610 5559 1 6 . 1 1 145 145 ILE CB C 139 38.543 38.543 38.912 -0.369 17610 5560 1 6 . 1 1 145 145 ILE H H 139 8.059 8.059 7.604 0.455 17610 5561 1 6 . 1 1 146 146 PRO HA H 140 4.627 4.627 4.485 0.142 17610 5562 1 6 . 1 1 146 146 PRO C C 140 174.570 174.570 175.360 -0.790 17610 5563 1 6 . 1 1 146 146 PRO CA C 140 62.362 62.362 62.514 -0.152 17610 5564 1 6 . 1 1 146 146 PRO CB C 140 33.057 33.057 32.509 0.548 17610 5565 1 6 . 1 1 147 147 TYR N N 141 121.135 121.135 120.013 1.122 17610 5566 1 6 . 1 1 147 147 TYR HA H 141 5.997 5.997 5.287 0.710 17610 5567 1 6 . 1 1 147 147 TYR C C 141 174.492 174.492 174.190 0.302 17610 5568 1 6 . 1 1 147 147 TYR CA C 141 54.912 54.912 56.624 -1.712 17610 5569 1 6 . 1 1 147 147 TYR CB C 141 40.972 40.972 40.205 0.767 17610 5570 1 6 . 1 1 147 147 TYR H H 141 8.252 8.252 8.339 -0.087 17610 5571 1 6 . 1 1 148 148 ILE N N 142 131.362 131.362 127.847 3.515 17610 5572 1 6 . 1 1 148 148 ILE HA H 142 3.948 3.948 4.241 -0.293 17610 5573 1 6 . 1 1 148 148 ILE C C 142 172.977 172.977 174.356 -1.379 17610 5574 1 6 . 1 1 148 148 ILE CA C 142 59.383 59.383 59.532 -0.149 17610 5575 1 6 . 1 1 148 148 ILE CB C 142 42.260 42.260 41.482 0.778 17610 5576 1 6 . 1 1 148 148 ILE H H 142 8.495 8.495 8.496 -0.001 17610 5577 1 6 . 1 1 149 149 GLU N N 143 125.874 125.874 122.117 3.757 17610 5578 1 6 . 1 1 149 149 GLU HA H 143 4.788 4.788 4.708 0.080 17610 5579 1 6 . 1 1 149 149 GLU C C 143 176.128 176.128 175.385 0.743 17610 5580 1 6 . 1 1 149 149 GLU CA C 143 55.647 55.647 55.359 0.287 17610 5581 1 6 . 1 1 149 149 GLU CB C 143 29.727 29.727 32.366 -2.639 17610 5582 1 6 . 1 1 149 149 GLU H H 143 7.827 7.827 8.466 -0.638 17610 5583 1 6 . 1 1 150 150 THR N N 144 113.629 113.629 113.344 0.285 17610 5584 1 6 . 1 1 150 150 THR HA H 144 5.081 5.081 5.297 -0.216 17610 5585 1 6 . 1 1 150 150 THR C C 144 176.136 176.136 173.118 3.018 17610 5586 1 6 . 1 1 150 150 THR CA C 144 59.464 59.464 59.873 -0.409 17610 5587 1 6 . 1 1 150 150 THR CB C 144 73.639 73.639 71.414 2.225 17610 5588 1 6 . 1 1 150 150 THR H H 144 8.800 8.800 8.651 0.149 17610 5589 1 6 . 1 1 151 151 SER N N 145 113.706 113.706 114.874 -1.168 17610 5590 1 6 . 1 1 151 151 SER HA H 145 4.883 4.883 5.011 -0.128 17610 5591 1 6 . 1 1 151 151 SER C C 145 175.707 175.707 174.033 1.674 17610 5592 1 6 . 1 1 151 151 SER CA C 145 57.438 57.438 57.390 0.048 17610 5593 1 6 . 1 1 151 151 SER CB C 145 64.470 64.470 65.423 -0.953 17610 5594 1 6 . 1 1 151 151 SER H H 145 8.807 8.807 8.259 0.548 17610 5595 1 6 . 1 1 152 152 ALA N N 146 133.500 133.500 128.048 5.452 17610 5596 1 6 . 1 1 152 152 ALA HA H 146 3.890 3.890 4.026 -0.136 17610 5597 1 6 . 1 1 152 152 ALA C C 146 175.632 175.632 178.022 -2.390 17610 5598 1 6 . 1 1 152 152 ALA CA C 146 54.416 54.416 55.203 -0.786 17610 5599 1 6 . 1 1 152 152 ALA CB C 146 18.605 18.605 18.759 -0.154 17610 5600 1 6 . 1 1 152 152 ALA H H 146 9.134 9.134 8.676 0.458 17610 5601 1 6 . 1 1 153 153 LYS N N 147 117.223 117.223 117.748 -0.525 17610 5602 1 6 . 1 1 153 153 LYS HA H 147 2.616 2.616 4.352 -1.736 17610 5603 1 6 . 1 1 153 153 LYS C C 147 177.045 177.045 177.108 -0.063 17610 5604 1 6 . 1 1 153 153 LYS CA C 147 58.119 58.119 58.744 -0.625 17610 5605 1 6 . 1 1 153 153 LYS CB C 147 33.956 33.956 32.075 1.881 17610 5606 1 6 . 1 1 153 153 LYS H H 147 7.042 7.042 8.298 -1.256 17610 5607 1 6 . 1 1 154 154 THR N N 148 107.404 107.404 108.015 -0.611 17610 5608 1 6 . 1 1 154 154 THR HA H 148 4.157 4.157 4.203 -0.046 17610 5609 1 6 . 1 1 154 154 THR C C 148 175.979 175.979 174.916 1.063 17610 5610 1 6 . 1 1 154 154 THR CA C 148 61.489 61.489 62.944 -1.455 17610 5611 1 6 . 1 1 154 154 THR CB C 148 69.911 69.911 68.798 1.113 17610 5612 1 6 . 1 1 154 154 THR H H 148 7.721 7.721 7.762 -0.041 17610 5613 1 6 . 1 1 155 155 ARG N N 149 119.268 119.268 120.549 -1.281 17610 5614 1 6 . 1 1 155 155 ARG HA H 149 3.476 3.476 3.984 -0.508 17610 5615 1 6 . 1 1 155 155 ARG C C 149 175.481 175.481 173.950 1.531 17610 5616 1 6 . 1 1 155 155 ARG CA C 149 59.653 59.653 56.960 2.693 17610 5617 1 6 . 1 1 155 155 ARG CB C 149 30.445 30.445 28.369 2.076 17610 5618 1 6 . 1 1 155 155 ARG H H 149 7.814 7.814 8.078 -0.264 17610 5619 1 6 . 1 1 156 156 GLN N N 150 125.391 125.391 122.411 2.980 17610 5620 1 6 . 1 1 156 156 GLN HA H 150 4.065 4.065 4.524 -0.459 17610 5621 1 6 . 1 1 156 156 GLN C C 150 177.007 177.007 175.856 1.151 17610 5622 1 6 . 1 1 156 156 GLN CA C 150 57.433 57.433 55.065 2.368 17610 5623 1 6 . 1 1 156 156 GLN CB C 150 28.472 28.472 30.866 -2.394 17610 5624 1 6 . 1 1 156 156 GLN H H 150 7.833 7.833 7.711 0.122 17610 5625 1 6 . 1 1 157 157 GLY N N 151 116.380 116.380 114.523 1.857 17610 5626 1 6 . 1 1 157 157 GLY C C 151 173.581 173.581 174.803 -1.222 17610 5627 1 6 . 1 1 157 157 GLY CA C 151 46.945 46.945 46.467 0.478 17610 5628 1 6 . 1 1 157 157 GLY H H 151 8.936 8.936 9.040 -0.104 17610 5629 1 6 . 1 1 158 158 VAL N N 152 121.822 121.822 119.686 2.136 17610 5630 1 6 . 1 1 158 158 VAL HA H 152 3.221 3.221 3.659 -0.438 17610 5631 1 6 . 1 1 158 158 VAL C C 152 177.006 177.006 177.897 -0.891 17610 5632 1 6 . 1 1 158 158 VAL CA C 152 68.314 68.314 65.276 3.038 17610 5633 1 6 . 1 1 158 158 VAL CB C 152 31.473 31.473 31.689 -0.216 17610 5634 1 6 . 1 1 158 158 VAL H H 152 7.099 7.099 8.031 -0.932 17610 5635 1 6 . 1 1 159 159 GLU N N 153 118.087 118.087 118.287 -0.200 17610 5636 1 6 . 1 1 159 159 GLU HA H 153 3.305 3.305 3.804 -0.499 17610 5637 1 6 . 1 1 159 159 GLU C C 153 177.163 177.163 178.546 -1.383 17610 5638 1 6 . 1 1 159 159 GLU CA C 153 60.407 60.407 59.639 0.768 17610 5639 1 6 . 1 1 159 159 GLU CB C 153 28.787 28.787 28.675 0.112 17610 5640 1 6 . 1 1 159 159 GLU H H 153 8.271 8.271 8.728 -0.457 17610 5641 1 6 . 1 1 160 160 ASP N N 154 117.624 117.624 119.408 -1.784 17610 5642 1 6 . 1 1 160 160 ASP HA H 154 4.205 4.205 4.585 -0.380 17610 5643 1 6 . 1 1 160 160 ASP C C 154 179.366 179.366 177.950 1.416 17610 5644 1 6 . 1 1 160 160 ASP CA C 154 57.288 57.288 57.499 -0.211 17610 5645 1 6 . 1 1 160 160 ASP CB C 154 40.040 40.040 40.705 -0.665 17610 5646 1 6 . 1 1 160 160 ASP H H 154 8.145 8.145 8.549 -0.404 17610 5647 1 6 . 1 1 161 161 ALA N N 155 125.270 125.270 121.665 3.605 17610 5648 1 6 . 1 1 161 161 ALA HA H 155 3.749 3.749 4.081 -0.332 17610 5649 1 6 . 1 1 161 161 ALA C C 155 177.684 177.684 179.565 -1.881 17610 5650 1 6 . 1 1 161 161 ALA CA C 155 56.295 56.295 54.655 1.640 17610 5651 1 6 . 1 1 161 161 ALA CB C 155 17.397 17.397 18.399 -1.002 17610 5652 1 6 . 1 1 161 161 ALA H H 155 8.603 8.603 7.440 1.163 17610 5653 1 6 . 1 1 162 162 PHE N N 156 113.772 113.772 118.332 -4.560 17610 5654 1 6 . 1 1 162 162 PHE HA H 156 3.912 3.912 4.058 -0.146 17610 5655 1 6 . 1 1 162 162 PHE C C 156 177.975 177.975 177.829 0.146 17610 5656 1 6 . 1 1 162 162 PHE CA C 156 62.851 62.851 62.428 0.423 17610 5657 1 6 . 1 1 162 162 PHE CB C 156 39.472 39.472 38.731 0.741 17610 5658 1 6 . 1 1 162 162 PHE H H 156 7.236 7.236 7.501 -0.265 17610 5659 1 6 . 1 1 163 163 TYR N N 157 120.499 120.499 116.957 3.542 17610 5660 1 6 . 1 1 163 163 TYR HA H 157 4.355 4.355 4.167 0.188 17610 5661 1 6 . 1 1 163 163 TYR C C 157 179.097 179.097 178.455 0.642 17610 5662 1 6 . 1 1 163 163 TYR CA C 157 58.309 58.309 60.497 -2.188 17610 5663 1 6 . 1 1 163 163 TYR CB C 157 35.012 35.012 37.289 -2.277 17610 5664 1 6 . 1 1 163 163 TYR H H 157 9.573 9.573 8.641 0.932 17610 5665 1 6 . 1 1 164 164 THR N N 158 118.206 118.206 115.427 2.779 17610 5666 1 6 . 1 1 164 164 THR HA H 158 3.903 3.903 3.956 -0.053 17610 5667 1 6 . 1 1 164 164 THR C C 158 175.656 175.656 176.103 -0.447 17610 5668 1 6 . 1 1 164 164 THR CA C 158 67.484 67.484 67.056 0.428 17610 5669 1 6 . 1 1 164 164 THR CB C 158 67.819 67.819 68.722 -0.903 17610 5670 1 6 . 1 1 164 164 THR H H 158 8.538 8.538 7.572 0.966 17610 5671 1 6 . 1 1 165 165 LEU N N 159 122.864 122.864 122.480 0.384 17610 5672 1 6 . 1 1 165 165 LEU HA H 159 3.871 3.871 4.041 -0.170 17610 5673 1 6 . 1 1 165 165 LEU C C 159 177.513 177.513 178.313 -0.800 17610 5674 1 6 . 1 1 165 165 LEU CA C 159 57.991 57.991 57.995 -0.004 17610 5675 1 6 . 1 1 165 165 LEU CB C 159 40.181 40.181 40.978 -0.797 17610 5676 1 6 . 1 1 165 165 LEU H H 159 7.232 7.232 7.775 -0.543 17610 5677 1 6 . 1 1 166 166 VAL N N 160 120.322 120.322 118.800 1.522 17610 5678 1 6 . 1 1 166 166 VAL HA H 160 3.045 3.045 3.345 -0.300 17610 5679 1 6 . 1 1 166 166 VAL C C 160 177.474 177.474 178.490 -1.016 17610 5680 1 6 . 1 1 166 166 VAL CA C 160 67.389 67.389 66.169 1.220 17610 5681 1 6 . 1 1 166 166 VAL CB C 160 30.944 30.944 30.432 0.512 17610 5682 1 6 . 1 1 166 166 VAL H H 160 7.517 7.517 7.508 0.009 17610 5683 1 6 . 1 1 167 167 ARG N N 161 120.151 120.151 119.162 0.989 17610 5684 1 6 . 1 1 167 167 ARG HA H 161 3.772 3.772 3.961 -0.189 17610 5685 1 6 . 1 1 167 167 ARG C C 161 179.030 179.030 178.980 0.050 17610 5686 1 6 . 1 1 167 167 ARG CA C 161 60.935 60.935 59.710 1.225 17610 5687 1 6 . 1 1 167 167 ARG CB C 161 29.586 29.586 29.880 -0.293 17610 5688 1 6 . 1 1 167 167 ARG H H 161 8.044 8.044 7.696 0.348 17610 5689 1 6 . 1 1 168 168 GLU N N 162 119.201 119.201 120.059 -0.858 17610 5690 1 6 . 1 1 168 168 GLU HA H 162 4.050 4.050 4.136 -0.086 17610 5691 1 6 . 1 1 168 168 GLU C C 162 179.805 179.805 179.139 0.666 17610 5692 1 6 . 1 1 168 168 GLU CA C 162 58.867 58.867 59.193 -0.326 17610 5693 1 6 . 1 1 168 168 GLU CB C 162 30.330 30.330 29.208 1.122 17610 5694 1 6 . 1 1 168 168 GLU H H 162 8.171 8.171 7.589 0.582 17610 5695 1 6 . 1 1 169 169 ILE N N 163 123.244 123.244 120.010 3.234 17610 5696 1 6 . 1 1 169 169 ILE HA H 163 3.583 3.583 3.682 -0.099 17610 5697 1 6 . 1 1 169 169 ILE C C 163 178.906 178.906 178.551 0.355 17610 5698 1 6 . 1 1 169 169 ILE CA C 163 66.023 66.023 65.187 0.836 17610 5699 1 6 . 1 1 169 169 ILE CB C 163 38.204 38.204 37.660 0.544 17610 5700 1 6 . 1 1 169 169 ILE H H 163 8.174 8.174 8.025 0.149 17610 5701 1 6 . 1 1 170 170 ARG N N 164 119.842 119.842 118.790 1.052 17610 5702 1 6 . 1 1 170 170 ARG HA H 164 4.140 4.140 4.058 0.082 17610 5703 1 6 . 1 1 170 170 ARG C C 164 177.532 177.532 178.290 -0.758 17610 5704 1 6 . 1 1 170 170 ARG CA C 164 58.944 58.944 58.916 0.028 17610 5705 1 6 . 1 1 170 170 ARG CB C 164 31.206 31.206 29.689 1.517 17610 5706 1 6 . 1 1 170 170 ARG H H 164 8.405 8.405 8.038 0.367 17610 5707 1 6 . 1 1 171 171 GLN N N 165 116.762 116.762 115.936 0.826 17610 5708 1 6 . 1 1 171 171 GLN HA H 165 4.343 4.343 4.188 0.155 17610 5709 1 6 . 1 1 171 171 GLN C C 165 175.218 175.218 176.626 -1.408 17610 5710 1 6 . 1 1 171 171 GLN CA C 165 56.100 56.100 57.281 -1.181 17610 5711 1 6 . 1 1 171 171 GLN CB C 165 29.236 29.236 28.901 0.335 17610 5712 1 6 . 1 1 171 171 GLN H H 165 7.646 7.646 7.711 -0.065 17610 5713 1 7 . 1 1 8 8 THR N N 2 124.188 124.188 116.957 7.231 17610 5714 1 7 . 1 1 8 8 THR HA H 2 3.983 3.983 4.443 -0.460 17610 5715 1 7 . 1 1 8 8 THR C C 2 171.971 171.971 173.209 -1.238 17610 5716 1 7 . 1 1 8 8 THR CA C 2 63.551 63.551 61.714 1.837 17610 5717 1 7 . 1 1 8 8 THR CB C 2 69.619 69.619 70.531 -0.912 17610 5718 1 7 . 1 1 8 8 THR H H 2 8.667 8.667 8.382 0.285 17610 5719 1 7 . 1 1 9 9 GLU N N 3 127.895 127.895 125.303 2.592 17610 5720 1 7 . 1 1 9 9 GLU HA H 3 5.280 5.280 4.406 0.874 17610 5721 1 7 . 1 1 9 9 GLU C C 3 175.089 175.089 174.847 0.242 17610 5722 1 7 . 1 1 9 9 GLU CA C 3 53.636 53.636 56.016 -2.380 17610 5723 1 7 . 1 1 9 9 GLU CB C 3 32.029 32.029 30.530 1.499 17610 5724 1 7 . 1 1 9 9 GLU H H 3 8.316 8.316 8.538 -0.222 17610 5725 1 7 . 1 1 10 10 TYR N N 4 123.375 123.375 125.851 -2.476 17610 5726 1 7 . 1 1 10 10 TYR HA H 4 5.131 5.131 4.629 0.502 17610 5727 1 7 . 1 1 10 10 TYR C C 4 174.621 174.621 175.514 -0.893 17610 5728 1 7 . 1 1 10 10 TYR CA C 4 56.649 56.649 57.283 -0.634 17610 5729 1 7 . 1 1 10 10 TYR CB C 4 41.323 41.323 40.279 1.044 17610 5730 1 7 . 1 1 10 10 TYR H H 4 8.739 8.739 8.287 0.452 17610 5731 1 7 . 1 1 11 11 LYS N N 5 125.147 125.147 125.439 -0.292 17610 5732 1 7 . 1 1 11 11 LYS HA H 5 5.168 5.168 4.745 0.423 17610 5733 1 7 . 1 1 11 11 LYS C C 5 175.291 175.291 174.841 0.450 17610 5734 1 7 . 1 1 11 11 LYS CA C 5 55.145 55.145 55.242 -0.097 17610 5735 1 7 . 1 1 11 11 LYS CB C 5 32.225 32.225 33.082 -0.857 17610 5736 1 7 . 1 1 11 11 LYS H H 5 9.142 9.142 8.820 0.322 17610 5737 1 7 . 1 1 12 12 LEU N N 6 127.306 127.306 125.876 1.430 17610 5738 1 7 . 1 1 12 12 LEU HA H 6 4.970 4.970 4.710 0.260 17610 5739 1 7 . 1 1 12 12 LEU C C 6 175.298 175.298 175.780 -0.482 17610 5740 1 7 . 1 1 12 12 LEU CA C 6 52.743 52.743 53.562 -0.819 17610 5741 1 7 . 1 1 12 12 LEU CB C 6 43.063 43.063 43.174 -0.111 17610 5742 1 7 . 1 1 12 12 LEU H H 6 9.150 9.150 8.478 0.672 17610 5743 1 7 . 1 1 13 13 VAL N N 7 123.170 123.170 119.313 3.857 17610 5744 1 7 . 1 1 13 13 VAL HA H 7 4.827 4.827 4.305 0.522 17610 5745 1 7 . 1 1 13 13 VAL C C 7 174.230 174.230 174.856 -0.626 17610 5746 1 7 . 1 1 13 13 VAL CB C 7 34.048 34.048 30.836 3.212 17610 5747 1 7 . 1 1 13 13 VAL H H 7 8.113 8.113 8.566 -0.453 17610 5748 1 7 . 1 1 14 14 VAL N N 8 129.854 129.854 127.595 2.259 17610 5749 1 7 . 1 1 14 14 VAL HA H 8 4.669 4.669 4.416 0.253 17610 5750 1 7 . 1 1 14 14 VAL C C 8 175.377 175.377 175.777 -0.400 17610 5751 1 7 . 1 1 14 14 VAL CA C 8 61.935 61.935 61.277 0.658 17610 5752 1 7 . 1 1 14 14 VAL CB C 8 32.496 32.496 31.913 0.583 17610 5753 1 7 . 1 1 14 14 VAL H H 8 8.707 8.707 7.550 1.157 17610 5754 1 7 . 1 1 15 15 VAL N N 9 121.835 121.835 115.557 6.278 17610 5755 1 7 . 1 1 15 15 VAL HA H 9 4.616 4.616 4.610 0.006 17610 5756 1 7 . 1 1 15 15 VAL C C 9 172.824 172.824 174.251 -1.427 17610 5757 1 7 . 1 1 15 15 VAL CA C 9 58.963 58.963 58.830 0.133 17610 5758 1 7 . 1 1 15 15 VAL CB C 9 35.405 35.405 34.775 0.630 17610 5759 1 7 . 1 1 15 15 VAL H H 9 9.107 9.107 8.256 0.851 17610 5760 1 7 . 1 1 16 16 GLY N N 10 109.233 109.233 106.602 2.631 17610 5761 1 7 . 1 1 16 16 GLY C C 10 172.504 172.504 172.623 -0.119 17610 5762 1 7 . 1 1 16 16 GLY CA C 10 43.848 43.848 45.700 -1.852 17610 5763 1 7 . 1 1 16 16 GLY H H 10 7.394 7.394 7.944 -0.550 17610 5764 1 7 . 1 1 17 17 ALA N N 11 123.120 123.120 122.681 0.439 17610 5765 1 7 . 1 1 17 17 ALA HA H 11 4.547 4.547 5.177 -0.630 17610 5766 1 7 . 1 1 17 17 ALA C C 11 177.371 177.371 177.811 -0.440 17610 5767 1 7 . 1 1 17 17 ALA CA C 11 52.236 52.236 51.178 1.058 17610 5768 1 7 . 1 1 17 17 ALA CB C 11 19.807 19.807 19.551 0.256 17610 5769 1 7 . 1 1 17 17 ALA H H 11 9.054 9.054 8.908 0.146 17610 5770 1 7 . 1 1 18 18 GLY N N 12 107.391 107.391 108.610 -1.219 17610 5771 1 7 . 1 1 18 18 GLY C C 12 176.858 176.858 176.010 0.848 17610 5772 1 7 . 1 1 18 18 GLY CA C 12 46.465 46.465 45.508 0.957 17610 5773 1 7 . 1 1 18 18 GLY H H 12 8.694 8.694 8.210 0.484 17610 5774 1 7 . 1 1 19 19 GLY N N 13 114.596 114.596 112.129 2.467 17610 5775 1 7 . 1 1 19 19 GLY C C 13 174.661 174.661 174.771 -0.110 17610 5776 1 7 . 1 1 19 19 GLY CA C 13 46.545 46.545 44.627 1.918 17610 5777 1 7 . 1 1 19 19 GLY H H 13 8.916 8.916 8.219 0.697 17610 5778 1 7 . 1 1 20 20 VAL N N 14 113.376 113.376 116.604 -3.228 17610 5779 1 7 . 1 1 20 20 VAL HA H 14 4.008 4.008 4.465 -0.457 17610 5780 1 7 . 1 1 20 20 VAL C C 14 174.469 174.469 175.929 -1.460 17610 5781 1 7 . 1 1 20 20 VAL CA C 14 62.825 62.825 60.542 2.283 17610 5782 1 7 . 1 1 20 20 VAL CB C 14 31.740 31.740 32.824 -1.084 17610 5783 1 7 . 1 1 20 20 VAL H H 14 7.427 7.427 7.636 -0.209 17610 5784 1 7 . 1 1 21 21 GLY N N 15 109.392 109.392 109.429 -0.037 17610 5785 1 7 . 1 1 21 21 GLY C C 15 173.254 173.254 174.987 -1.733 17610 5786 1 7 . 1 1 21 21 GLY CA C 15 45.708 45.708 46.405 -0.697 17610 5787 1 7 . 1 1 21 21 GLY H H 15 8.388 8.388 8.217 0.171 17610 5788 1 7 . 1 1 22 22 LYS N N 16 124.844 124.844 120.723 4.121 17610 5789 1 7 . 1 1 22 22 LYS HA H 16 3.537 3.537 4.016 -0.479 17610 5790 1 7 . 1 1 22 22 LYS C C 16 179.106 179.106 177.955 1.151 17610 5791 1 7 . 1 1 22 22 LYS CA C 16 60.990 60.990 59.375 1.615 17610 5792 1 7 . 1 1 22 22 LYS CB C 16 29.967 29.967 32.504 -2.537 17610 5793 1 7 . 1 1 22 22 LYS H H 16 9.097 9.097 7.852 1.245 17610 5794 1 7 . 1 1 23 23 SER N N 17 121.228 121.228 114.019 7.209 17610 5795 1 7 . 1 1 23 23 SER HA H 17 4.292 4.292 4.442 -0.150 17610 5796 1 7 . 1 1 23 23 SER C C 17 175.697 175.697 176.196 -0.499 17610 5797 1 7 . 1 1 23 23 SER CA C 17 61.346 61.346 60.831 0.514 17610 5798 1 7 . 1 1 23 23 SER CB C 17 61.337 61.337 62.564 -1.227 17610 5799 1 7 . 1 1 23 23 SER H H 17 9.546 9.546 8.560 0.986 17610 5800 1 7 . 1 1 24 24 ALA N N 18 126.557 126.557 124.873 1.684 17610 5801 1 7 . 1 1 24 24 ALA HA H 18 3.946 3.946 3.951 -0.005 17610 5802 1 7 . 1 1 24 24 ALA C C 18 181.834 181.834 179.452 2.382 17610 5803 1 7 . 1 1 24 24 ALA CA C 18 54.587 54.587 54.745 -0.158 17610 5804 1 7 . 1 1 24 24 ALA CB C 18 18.539 18.539 18.501 0.038 17610 5805 1 7 . 1 1 24 24 ALA H H 18 9.189 9.189 7.993 1.196 17610 5806 1 7 . 1 1 25 25 LEU N N 19 121.712 121.712 117.928 3.784 17610 5807 1 7 . 1 1 25 25 LEU HA H 19 3.878 3.878 3.882 -0.004 17610 5808 1 7 . 1 1 25 25 LEU C C 19 177.485 177.485 179.313 -1.828 17610 5809 1 7 . 1 1 25 25 LEU CA C 19 58.729 58.729 58.215 0.514 17610 5810 1 7 . 1 1 25 25 LEU CB C 19 43.227 43.227 41.686 1.541 17610 5811 1 7 . 1 1 25 25 LEU H H 19 8.817 8.817 7.737 1.080 17610 5812 1 7 . 1 1 26 26 THR N N 20 118.148 118.148 116.809 1.339 17610 5813 1 7 . 1 1 26 26 THR HA H 20 3.401 3.401 4.221 -0.820 17610 5814 1 7 . 1 1 26 26 THR C C 20 175.714 175.714 176.941 -1.227 17610 5815 1 7 . 1 1 26 26 THR CA C 20 68.122 68.122 67.263 0.859 17610 5816 1 7 . 1 1 26 26 THR CB C 20 68.196 68.196 68.891 -0.695 17610 5817 1 7 . 1 1 26 26 THR H H 20 7.517 7.517 7.379 0.138 17610 5818 1 7 . 1 1 27 27 ILE N N 21 121.987 121.987 121.443 0.544 17610 5819 1 7 . 1 1 27 27 ILE HA H 21 3.302 3.302 3.627 -0.325 17610 5820 1 7 . 1 1 27 27 ILE C C 21 175.380 175.380 177.958 -2.578 17610 5821 1 7 . 1 1 27 27 ILE CA C 21 64.278 64.278 64.735 -0.457 17610 5822 1 7 . 1 1 27 27 ILE CB C 21 36.758 36.758 37.537 -0.779 17610 5823 1 7 . 1 1 27 27 ILE H H 21 8.950 8.950 8.538 0.412 17610 5824 1 7 . 1 1 28 28 GLN N N 22 121.898 121.898 119.494 2.404 17610 5825 1 7 . 1 1 28 28 GLN HA H 22 4.334 4.334 4.057 0.277 17610 5826 1 7 . 1 1 28 28 GLN C C 22 179.058 179.058 178.623 0.435 17610 5827 1 7 . 1 1 28 28 GLN CA C 22 58.796 58.796 58.690 0.106 17610 5828 1 7 . 1 1 28 28 GLN CB C 22 29.752 29.752 28.585 1.167 17610 5829 1 7 . 1 1 28 28 GLN H H 22 8.094 8.094 8.131 -0.037 17610 5830 1 7 . 1 1 29 29 LEU N N 23 121.426 121.426 118.864 2.562 17610 5831 1 7 . 1 1 29 29 LEU HA H 23 3.765 3.765 4.002 -0.237 17610 5832 1 7 . 1 1 29 29 LEU C C 23 178.155 178.155 177.248 0.907 17610 5833 1 7 . 1 1 29 29 LEU CA C 23 58.304 58.304 56.230 2.074 17610 5834 1 7 . 1 1 29 29 LEU CB C 23 40.637 40.637 41.019 -0.382 17610 5835 1 7 . 1 1 29 29 LEU H H 23 7.746 7.746 7.883 -0.137 17610 5836 1 7 . 1 1 30 30 ILE N N 24 115.325 115.325 117.644 -2.319 17610 5837 1 7 . 1 1 30 30 ILE HA H 24 3.697 3.697 3.947 -0.250 17610 5838 1 7 . 1 1 30 30 ILE C C 24 177.421 177.421 178.438 -1.017 17610 5839 1 7 . 1 1 30 30 ILE CA C 24 62.050 62.050 62.923 -0.873 17610 5840 1 7 . 1 1 30 30 ILE CB C 24 37.183 37.183 37.899 -0.716 17610 5841 1 7 . 1 1 30 30 ILE H H 24 8.115 8.115 7.386 0.729 17610 5842 1 7 . 1 1 31 31 GLN N N 25 117.213 117.213 118.040 -0.827 17610 5843 1 7 . 1 1 31 31 GLN HA H 25 4.539 4.539 4.048 0.491 17610 5844 1 7 . 1 1 31 31 GLN C C 25 176.149 176.149 176.364 -0.215 17610 5845 1 7 . 1 1 31 31 GLN CA C 25 55.234 55.234 57.025 -1.791 17610 5846 1 7 . 1 1 31 31 GLN CB C 25 30.184 30.184 29.524 0.660 17610 5847 1 7 . 1 1 31 31 GLN H H 25 8.887 8.887 8.207 0.680 17610 5848 1 7 . 1 1 32 32 ASN N N 26 117.820 117.820 113.661 4.159 17610 5849 1 7 . 1 1 32 32 ASN HA H 26 4.807 4.807 4.615 0.192 17610 5850 1 7 . 1 1 32 32 ASN C C 26 174.051 174.051 174.663 -0.612 17610 5851 1 7 . 1 1 32 32 ASN CA C 26 54.310 54.310 54.457 -0.147 17610 5852 1 7 . 1 1 32 32 ASN CB C 26 37.184 37.184 36.311 0.873 17610 5853 1 7 . 1 1 32 32 ASN H H 26 7.982 7.982 8.639 -0.657 17610 5854 1 7 . 1 1 33 33 HIS N N 27 112.968 112.968 115.210 -2.242 17610 5855 1 7 . 1 1 33 33 HIS HA H 27 4.889 4.889 4.799 0.090 17610 5856 1 7 . 1 1 33 33 HIS C C 27 172.514 172.514 174.365 -1.851 17610 5857 1 7 . 1 1 33 33 HIS CA C 27 54.314 54.314 54.035 0.279 17610 5858 1 7 . 1 1 33 33 HIS CB C 27 32.616 32.616 30.299 2.317 17610 5859 1 7 . 1 1 33 33 HIS H H 27 6.804 6.804 8.100 -1.296 17610 5860 1 7 . 1 1 34 34 PHE N N 28 123.605 123.605 118.348 5.257 17610 5861 1 7 . 1 1 34 34 PHE HA H 28 4.914 4.914 4.058 0.856 17610 5862 1 7 . 1 1 34 34 PHE C C 28 174.641 174.641 174.031 0.610 17610 5863 1 7 . 1 1 34 34 PHE CA C 28 55.754 55.754 58.315 -2.561 17610 5864 1 7 . 1 1 34 34 PHE CB C 28 40.573 40.573 38.794 1.779 17610 5865 1 7 . 1 1 34 34 PHE H H 28 8.462 8.462 7.814 0.648 17610 5866 1 7 . 1 1 35 35 VAL N N 29 126.695 126.695 125.649 1.046 17610 5867 1 7 . 1 1 35 35 VAL HA H 29 3.911 3.911 3.771 0.140 17610 5868 1 7 . 1 1 35 35 VAL C C 29 173.764 173.764 175.322 -1.558 17610 5869 1 7 . 1 1 35 35 VAL CA C 29 61.275 61.275 64.236 -2.961 17610 5870 1 7 . 1 1 35 35 VAL CB C 29 33.154 33.154 30.872 2.282 17610 5871 1 7 . 1 1 35 35 VAL H H 29 7.537 7.537 8.171 -0.634 17610 5872 1 7 . 1 1 36 36 ASP N N 30 123.271 123.271 127.423 -4.152 17610 5873 1 7 . 1 1 36 36 ASP HA H 30 4.185 4.185 4.549 -0.364 17610 5874 1 7 . 1 1 36 36 ASP C C 30 176.129 176.129 175.203 0.926 17610 5875 1 7 . 1 1 36 36 ASP CA C 30 54.662 54.662 54.319 0.343 17610 5876 1 7 . 1 1 36 36 ASP CB C 30 41.323 41.323 42.400 -1.077 17610 5877 1 7 . 1 1 36 36 ASP H H 30 7.618 7.618 8.407 -0.789 17610 5878 1 7 . 1 1 37 37 GLU N N 31 119.730 119.730 118.836 0.894 17610 5879 1 7 . 1 1 37 37 GLU HA H 31 4.262 4.262 4.333 -0.071 17610 5880 1 7 . 1 1 37 37 GLU C C 31 174.901 174.901 174.678 0.223 17610 5881 1 7 . 1 1 37 37 GLU CA C 31 56.137 56.137 56.495 -0.358 17610 5882 1 7 . 1 1 37 37 GLU CB C 31 30.459 30.459 31.181 -0.723 17610 5883 1 7 . 1 1 37 37 GLU H H 31 7.857 7.857 7.929 -0.072 17610 5884 1 7 . 1 1 38 38 TYR N N 32 123.296 123.296 120.454 2.842 17610 5885 1 7 . 1 1 38 38 TYR HA H 32 4.486 4.486 4.971 -0.485 17610 5886 1 7 . 1 1 38 38 TYR C C 32 174.370 174.370 174.190 0.180 17610 5887 1 7 . 1 1 38 38 TYR CA C 32 57.511 57.511 56.807 0.704 17610 5888 1 7 . 1 1 38 38 TYR CB C 32 39.199 39.199 40.146 -0.947 17610 5889 1 7 . 1 1 38 38 TYR H H 32 8.244 8.244 7.942 0.302 17610 5890 1 7 . 1 1 39 39 ASP N N 33 127.452 127.452 122.087 5.365 17610 5891 1 7 . 1 1 39 39 ASP HA H 33 4.891 4.891 4.984 -0.093 17610 5892 1 7 . 1 1 39 39 ASP CA C 33 51.207 51.207 51.616 -0.409 17610 5893 1 7 . 1 1 39 39 ASP CB C 33 41.837 41.837 41.330 0.507 17610 5894 1 7 . 1 1 39 39 ASP H H 33 8.158 8.158 8.948 -0.790 17610 5895 1 7 . 1 1 40 40 PRO HA H 34 4.405 4.405 4.573 -0.168 17610 5896 1 7 . 1 1 40 40 PRO C C 34 176.938 176.938 177.258 -0.320 17610 5897 1 7 . 1 1 40 40 PRO CA C 34 63.068 63.068 63.331 -0.263 17610 5898 1 7 . 1 1 40 40 PRO CB C 34 32.089 32.089 32.231 -0.142 17610 5899 1 7 . 1 1 41 41 SER N N 35 117.575 117.575 113.548 4.027 17610 5900 1 7 . 1 1 41 41 SER HA H 35 4.433 4.433 4.403 0.030 17610 5901 1 7 . 1 1 41 41 SER C C 35 174.777 174.777 174.712 0.065 17610 5902 1 7 . 1 1 41 41 SER CA C 35 58.346 58.346 58.612 -0.266 17610 5903 1 7 . 1 1 41 41 SER CB C 35 63.704 63.704 63.416 0.288 17610 5904 1 7 . 1 1 41 41 SER H H 35 8.495 8.495 8.323 0.172 17610 5905 1 7 . 1 1 42 42 ILE N N 36 123.018 123.018 117.964 5.054 17610 5906 1 7 . 1 1 42 42 ILE HA H 36 4.219 4.219 4.517 -0.298 17610 5907 1 7 . 1 1 42 42 ILE C C 36 175.966 175.966 175.627 0.339 17610 5908 1 7 . 1 1 42 42 ILE CA C 36 61.665 61.665 59.698 1.967 17610 5909 1 7 . 1 1 42 42 ILE CB C 36 38.745 38.745 39.305 -0.560 17610 5910 1 7 . 1 1 42 42 ILE H H 36 7.919 7.919 7.386 0.533 17610 5911 1 7 . 1 1 43 43 GLU N N 37 124.699 124.699 119.646 5.053 17610 5912 1 7 . 1 1 43 43 GLU HA H 37 4.381 4.381 4.034 0.347 17610 5913 1 7 . 1 1 43 43 GLU C C 37 179.069 179.069 176.190 2.879 17610 5914 1 7 . 1 1 43 43 GLU CA C 37 56.223 56.223 57.825 -1.602 17610 5915 1 7 . 1 1 43 43 GLU CB C 37 30.616 30.616 29.576 1.040 17610 5916 1 7 . 1 1 43 43 GLU H H 37 8.201 8.201 8.742 -0.541 17610 5917 1 7 . 1 1 44 44 ASP N N 38 121.902 121.902 114.506 7.396 17610 5918 1 7 . 1 1 44 44 ASP HA H 38 4.622 4.622 4.195 0.427 17610 5919 1 7 . 1 1 44 44 ASP C C 38 174.634 174.634 174.276 0.358 17610 5920 1 7 . 1 1 44 44 ASP CA C 38 54.095 54.095 55.014 -0.919 17610 5921 1 7 . 1 1 44 44 ASP CB C 38 41.837 41.837 39.836 2.001 17610 5922 1 7 . 1 1 44 44 ASP H H 38 8.094 8.094 8.265 -0.171 17610 5923 1 7 . 1 1 45 45 SER N N 39 114.779 114.779 112.627 2.152 17610 5924 1 7 . 1 1 45 45 SER HA H 39 4.923 4.923 4.306 0.617 17610 5925 1 7 . 1 1 45 45 SER C C 39 173.339 173.339 173.128 0.211 17610 5926 1 7 . 1 1 45 45 SER CA C 39 57.023 57.023 57.709 -0.686 17610 5927 1 7 . 1 1 45 45 SER CB C 39 64.751 64.751 64.356 0.395 17610 5928 1 7 . 1 1 45 45 SER H H 39 7.792 7.792 7.224 0.568 17610 5929 1 7 . 1 1 46 46 TYR N N 40 124.235 124.235 123.013 1.222 17610 5930 1 7 . 1 1 46 46 TYR HA H 40 4.662 4.662 4.800 -0.138 17610 5931 1 7 . 1 1 46 46 TYR C C 40 173.910 173.910 173.816 0.094 17610 5932 1 7 . 1 1 46 46 TYR CA C 40 56.944 56.944 56.298 0.646 17610 5933 1 7 . 1 1 46 46 TYR CB C 40 41.323 41.323 42.307 -0.984 17610 5934 1 7 . 1 1 46 46 TYR H H 40 8.976 8.976 8.714 0.262 17610 5935 1 7 . 1 1 47 47 ARG N N 41 121.906 121.906 118.526 3.380 17610 5936 1 7 . 1 1 47 47 ARG HA H 41 5.802 5.802 5.212 0.590 17610 5937 1 7 . 1 1 47 47 ARG C C 41 176.150 176.150 174.626 1.524 17610 5938 1 7 . 1 1 47 47 ARG CA C 41 54.129 54.129 54.854 -0.725 17610 5939 1 7 . 1 1 47 47 ARG CB C 41 34.105 34.105 33.146 0.959 17610 5940 1 7 . 1 1 47 47 ARG H H 41 8.238 8.238 8.542 -0.304 17610 5941 1 7 . 1 1 48 48 LYS N N 42 123.924 123.924 123.873 0.051 17610 5942 1 7 . 1 1 48 48 LYS HA H 42 4.508 4.508 4.598 -0.090 17610 5943 1 7 . 1 1 48 48 LYS C C 42 173.710 173.710 174.946 -1.236 17610 5944 1 7 . 1 1 48 48 LYS CA C 42 55.651 55.651 54.525 1.126 17610 5945 1 7 . 1 1 48 48 LYS CB C 42 38.139 38.139 35.889 2.249 17610 5946 1 7 . 1 1 48 48 LYS H H 42 8.705 8.705 8.370 0.335 17610 5947 1 7 . 1 1 49 49 GLN N N 43 130.301 130.301 125.833 4.468 17610 5948 1 7 . 1 1 49 49 GLN HA H 43 5.230 5.230 4.527 0.703 17610 5949 1 7 . 1 1 49 49 GLN C C 43 175.254 175.254 175.121 0.133 17610 5950 1 7 . 1 1 49 49 GLN CA C 43 55.496 55.496 55.622 -0.126 17610 5951 1 7 . 1 1 49 49 GLN CB C 43 29.892 29.892 29.666 0.227 17610 5952 1 7 . 1 1 49 49 GLN H H 43 8.897 8.897 8.666 0.231 17610 5953 1 7 . 1 1 50 50 VAL N N 44 122.354 122.354 121.476 0.878 17610 5954 1 7 . 1 1 50 50 VAL HA H 44 4.772 4.772 4.710 0.062 17610 5955 1 7 . 1 1 50 50 VAL C C 44 173.116 173.116 173.451 -0.335 17610 5956 1 7 . 1 1 50 50 VAL CA C 44 59.238 59.238 59.376 -0.138 17610 5957 1 7 . 1 1 50 50 VAL CB C 44 35.888 35.888 35.888 0.000 17610 5958 1 7 . 1 1 50 50 VAL H H 44 9.104 9.104 8.633 0.471 17610 5959 1 7 . 1 1 51 51 VAL N N 45 122.385 122.385 120.596 1.789 17610 5960 1 7 . 1 1 51 51 VAL HA H 45 4.462 4.462 4.505 -0.043 17610 5961 1 7 . 1 1 51 51 VAL C C 45 175.450 175.450 175.631 -0.181 17610 5962 1 7 . 1 1 51 51 VAL CA C 45 61.832 61.832 61.926 -0.094 17610 5963 1 7 . 1 1 51 51 VAL CB C 45 32.228 32.228 31.427 0.801 17610 5964 1 7 . 1 1 51 51 VAL H H 45 8.100 8.100 8.360 -0.260 17610 5965 1 7 . 1 1 52 52 ILE N N 46 126.953 126.953 127.476 -0.523 17610 5966 1 7 . 1 1 52 52 ILE HA H 46 3.995 3.995 4.284 -0.289 17610 5967 1 7 . 1 1 52 52 ILE C C 46 176.424 176.424 175.940 0.484 17610 5968 1 7 . 1 1 52 52 ILE CA C 46 60.343 60.343 59.910 0.433 17610 5969 1 7 . 1 1 52 52 ILE CB C 46 40.096 40.096 41.033 -0.937 17610 5970 1 7 . 1 1 52 52 ILE H H 46 8.118 8.118 8.096 0.022 17610 5971 1 7 . 1 1 53 53 ASP N N 47 132.206 132.206 125.528 6.678 17610 5972 1 7 . 1 1 53 53 ASP HA H 47 4.267 4.267 4.318 -0.051 17610 5973 1 7 . 1 1 53 53 ASP C C 47 176.121 176.121 176.425 -0.304 17610 5974 1 7 . 1 1 53 53 ASP CA C 47 55.267 55.267 55.021 0.246 17610 5975 1 7 . 1 1 53 53 ASP CB C 47 39.203 39.203 40.380 -1.177 17610 5976 1 7 . 1 1 53 53 ASP H H 47 9.605 9.605 9.016 0.589 17610 5977 1 7 . 1 1 54 54 GLY N N 48 104.275 104.275 103.510 0.765 17610 5978 1 7 . 1 1 54 54 GLY C C 48 173.219 173.219 174.040 -0.821 17610 5979 1 7 . 1 1 54 54 GLY CA C 48 45.318 45.318 45.243 0.075 17610 5980 1 7 . 1 1 54 54 GLY H H 48 8.332 8.332 8.566 -0.234 17610 5981 1 7 . 1 1 55 55 GLU N N 49 123.384 123.384 121.440 1.944 17610 5982 1 7 . 1 1 55 55 GLU HA H 49 4.691 4.691 4.627 0.064 17610 5983 1 7 . 1 1 55 55 GLU C C 49 175.614 175.614 175.722 -0.108 17610 5984 1 7 . 1 1 55 55 GLU CA C 49 54.719 54.719 54.568 0.151 17610 5985 1 7 . 1 1 55 55 GLU CB C 49 31.803 31.803 31.484 0.319 17610 5986 1 7 . 1 1 55 55 GLU H H 49 7.684 7.684 7.790 -0.106 17610 5987 1 7 . 1 1 56 56 THR N N 50 127.153 127.153 118.681 8.472 17610 5988 1 7 . 1 1 56 56 THR HA H 50 4.727 4.727 4.663 0.064 17610 5989 1 7 . 1 1 56 56 THR C C 50 173.530 173.530 174.419 -0.889 17610 5990 1 7 . 1 1 56 56 THR CA C 50 63.521 63.521 63.891 -0.370 17610 5991 1 7 . 1 1 56 56 THR CB C 50 68.478 68.478 69.618 -1.140 17610 5992 1 7 . 1 1 56 56 THR H H 50 8.951 8.951 8.504 0.447 17610 5993 1 7 . 1 1 57 57 CYS N N 51 124.835 124.835 123.156 1.679 17610 5994 1 7 . 1 1 57 57 CYS HA H 51 5.086 5.086 4.746 0.340 17610 5995 1 7 . 1 1 57 57 CYS C C 51 170.937 170.937 172.753 -1.816 17610 5996 1 7 . 1 1 57 57 CYS CA C 51 56.423 56.423 58.483 -2.059 17610 5997 1 7 . 1 1 57 57 CYS CB C 51 31.549 31.549 31.778 -0.229 17610 5998 1 7 . 1 1 57 57 CYS H H 51 9.424 9.424 8.864 0.560 17610 5999 1 7 . 1 1 58 58 LEU N N 52 123.111 123.111 122.653 0.458 17610 6000 1 7 . 1 1 58 58 LEU HA H 52 4.943 4.943 4.761 0.182 17610 6001 1 7 . 1 1 58 58 LEU C C 52 175.044 175.044 175.716 -0.672 17610 6002 1 7 . 1 1 58 58 LEU CA C 52 53.372 53.372 54.340 -0.968 17610 6003 1 7 . 1 1 58 58 LEU CB C 52 44.304 44.304 43.437 0.867 17610 6004 1 7 . 1 1 58 58 LEU H H 52 8.803 8.803 9.084 -0.281 17610 6005 1 7 . 1 1 59 59 LEU N N 53 124.540 124.540 125.263 -0.723 17610 6006 1 7 . 1 1 59 59 LEU HA H 53 4.888 4.888 4.708 0.180 17610 6007 1 7 . 1 1 59 59 LEU C C 53 174.358 174.358 175.253 -0.895 17610 6008 1 7 . 1 1 59 59 LEU CA C 53 53.490 53.490 53.902 -0.412 17610 6009 1 7 . 1 1 59 59 LEU CB C 53 42.195 42.195 42.456 -0.262 17610 6010 1 7 . 1 1 59 59 LEU H H 53 9.054 9.054 9.310 -0.256 17610 6011 1 7 . 1 1 60 60 ASP N N 54 126.666 126.666 125.535 1.131 17610 6012 1 7 . 1 1 60 60 ASP HA H 54 5.225 5.225 4.824 0.401 17610 6013 1 7 . 1 1 60 60 ASP C C 54 174.846 174.846 175.195 -0.349 17610 6014 1 7 . 1 1 60 60 ASP CA C 54 53.040 53.040 54.980 -1.940 17610 6015 1 7 . 1 1 60 60 ASP CB C 54 42.622 42.622 41.192 1.430 17610 6016 1 7 . 1 1 60 60 ASP H H 54 8.739 8.739 8.657 0.082 17610 6017 1 7 . 1 1 61 61 ILE N N 55 125.100 125.100 124.660 0.440 17610 6018 1 7 . 1 1 61 61 ILE HA H 55 4.690 4.690 4.166 0.524 17610 6019 1 7 . 1 1 61 61 ILE C C 55 174.745 174.745 174.605 0.140 17610 6020 1 7 . 1 1 61 61 ILE CA C 55 60.331 60.331 58.715 1.616 17610 6021 1 7 . 1 1 61 61 ILE CB C 55 39.682 39.682 37.206 2.476 17610 6022 1 7 . 1 1 61 61 ILE H H 55 9.115 9.115 8.714 0.401 17610 6023 1 7 . 1 1 62 62 LEU N N 56 131.208 131.208 128.854 2.354 17610 6024 1 7 . 1 1 62 62 LEU HA H 56 4.667 4.667 4.479 0.188 17610 6025 1 7 . 1 1 62 62 LEU C C 56 174.063 174.063 174.392 -0.329 17610 6026 1 7 . 1 1 62 62 LEU CA C 56 53.795 53.795 53.829 -0.034 17610 6027 1 7 . 1 1 62 62 LEU CB C 56 42.256 42.256 44.056 -1.800 17610 6028 1 7 . 1 1 62 62 LEU H H 56 9.014 9.014 7.784 1.230 17610 6029 1 7 . 1 1 63 63 ASP N N 57 128.415 128.415 125.148 3.267 17610 6030 1 7 . 1 1 63 63 ASP HA H 57 4.783 4.783 4.730 0.053 17610 6031 1 7 . 1 1 63 63 ASP C C 57 176.341 176.341 175.736 0.605 17610 6032 1 7 . 1 1 63 63 ASP CA C 57 52.988 52.988 52.986 0.002 17610 6033 1 7 . 1 1 63 63 ASP CB C 57 41.837 41.837 42.273 -0.436 17610 6034 1 7 . 1 1 63 63 ASP H H 57 8.657 8.657 8.408 0.249 17610 6035 1 7 . 1 1 64 64 THR N N 58 114.950 114.950 117.539 -2.589 17610 6036 1 7 . 1 1 64 64 THR HA H 58 4.425 4.425 4.208 0.217 17610 6037 1 7 . 1 1 64 64 THR C C 58 172.734 172.734 174.242 -1.508 17610 6038 1 7 . 1 1 64 64 THR CA C 58 61.488 61.488 60.948 0.540 17610 6039 1 7 . 1 1 64 64 THR CB C 58 71.398 71.398 70.692 0.706 17610 6040 1 7 . 1 1 64 64 THR H H 58 7.369 7.369 7.576 -0.207 17610 6041 1 7 . 1 1 65 65 ALA N N 59 123.940 123.940 121.477 2.463 17610 6042 1 7 . 1 1 65 65 ALA HA H 59 4.764 4.764 4.246 0.518 17610 6043 1 7 . 1 1 65 65 ALA C C 59 179.480 179.480 177.790 1.690 17610 6044 1 7 . 1 1 65 65 ALA CA C 59 51.422 51.422 52.107 -0.685 17610 6045 1 7 . 1 1 65 65 ALA CB C 59 20.796 20.796 19.877 0.919 17610 6046 1 7 . 1 1 65 65 ALA H H 59 8.329 8.329 8.264 0.065 17610 6047 1 7 . 1 1 66 66 GLY N N 60 112.527 112.527 104.775 7.752 17610 6048 1 7 . 1 1 66 66 GLY C C 60 174.938 174.938 176.106 -1.168 17610 6049 1 7 . 1 1 66 66 GLY CA C 60 46.057 46.057 45.734 0.323 17610 6050 1 7 . 1 1 66 66 GLY H H 60 9.397 9.397 8.598 0.799 17610 6051 1 7 . 1 1 67 67 GLN N N 61 120.877 120.877 119.142 1.735 17610 6052 1 7 . 1 1 67 67 GLN HA H 61 4.422 4.422 4.285 0.137 17610 6053 1 7 . 1 1 67 67 GLN C C 61 176.298 176.298 176.183 0.115 17610 6054 1 7 . 1 1 67 67 GLN CA C 61 56.355 56.355 57.119 -0.764 17610 6055 1 7 . 1 1 67 67 GLN CB C 61 29.438 29.438 28.714 0.724 17610 6056 1 7 . 1 1 67 67 GLN H H 61 8.237 8.237 8.400 -0.163 17610 6057 1 7 . 1 1 68 68 GLU N N 62 123.751 123.751 117.995 5.756 17610 6058 1 7 . 1 1 68 68 GLU HA H 62 4.208 4.208 4.118 0.090 17610 6059 1 7 . 1 1 68 68 GLU C C 62 177.032 177.032 175.623 1.409 17610 6060 1 7 . 1 1 68 68 GLU CA C 62 57.801 57.801 57.645 0.156 17610 6061 1 7 . 1 1 68 68 GLU CB C 62 29.834 29.834 28.661 1.173 17610 6062 1 7 . 1 1 68 68 GLU H H 62 8.738 8.738 8.093 0.645 17610 6063 1 7 . 1 1 69 69 GLU N N 63 121.861 121.861 116.252 5.609 17610 6064 1 7 . 1 1 69 69 GLU HA H 63 4.228 4.228 4.037 0.191 17610 6065 1 7 . 1 1 69 69 GLU C C 63 176.145 176.145 174.970 1.175 17610 6066 1 7 . 1 1 69 69 GLU CA C 63 57.026 57.026 57.750 -0.724 17610 6067 1 7 . 1 1 69 69 GLU CB C 63 30.231 30.231 28.218 2.013 17610 6068 1 7 . 1 1 69 69 GLU H H 63 8.607 8.607 8.692 -0.085 17610 6069 1 7 . 1 1 70 70 TYR N N 64 121.801 121.801 119.079 2.722 17610 6070 1 7 . 1 1 70 70 TYR HA H 64 4.587 4.587 4.739 -0.152 17610 6071 1 7 . 1 1 70 70 TYR C C 64 175.965 175.965 174.993 0.972 17610 6072 1 7 . 1 1 70 70 TYR CA C 64 58.160 58.160 56.663 1.497 17610 6073 1 7 . 1 1 70 70 TYR CB C 64 38.288 38.288 38.997 -0.709 17610 6074 1 7 . 1 1 70 70 TYR H H 64 8.225 8.225 7.909 0.316 17610 6075 1 7 . 1 1 71 71 SER N N 65 120.137 120.137 118.027 2.110 17610 6076 1 7 . 1 1 71 71 SER HA H 65 4.269 4.269 4.305 -0.036 17610 6077 1 7 . 1 1 71 71 SER C C 65 174.912 174.912 176.036 -1.124 17610 6078 1 7 . 1 1 71 71 SER CA C 65 58.755 58.755 60.463 -1.708 17610 6079 1 7 . 1 1 71 71 SER CB C 65 63.755 63.755 63.448 0.307 17610 6080 1 7 . 1 1 71 71 SER H H 65 7.884 7.884 8.513 -0.629 17610 6081 1 7 . 1 1 72 72 ALA N N 66 127.848 127.848 124.129 3.719 17610 6082 1 7 . 1 1 72 72 ALA HA H 66 4.193 4.193 4.049 0.144 17610 6083 1 7 . 1 1 72 72 ALA C C 66 179.820 179.820 179.474 0.346 17610 6084 1 7 . 1 1 72 72 ALA CA C 66 54.595 54.595 54.942 -0.347 17610 6085 1 7 . 1 1 72 72 ALA CB C 66 18.264 18.264 18.221 0.043 17610 6086 1 7 . 1 1 72 72 ALA H H 66 8.706 8.706 8.258 0.448 17610 6087 1 7 . 1 1 73 73 MET N N 67 118.448 118.448 117.205 1.243 17610 6088 1 7 . 1 1 73 73 MET HA H 67 4.271 4.271 4.075 0.196 17610 6089 1 7 . 1 1 73 73 MET C C 67 177.098 177.098 177.805 -0.707 17610 6090 1 7 . 1 1 73 73 MET CA C 67 56.915 56.915 56.459 0.457 17610 6091 1 7 . 1 1 73 73 MET CB C 67 32.031 32.031 32.333 -0.302 17610 6092 1 7 . 1 1 73 73 MET H H 67 8.007 8.007 7.813 0.194 17610 6093 1 7 . 1 1 74 74 ARG N N 68 121.351 121.351 119.992 1.359 17610 6094 1 7 . 1 1 74 74 ARG HA H 68 3.793 3.793 4.034 -0.241 17610 6095 1 7 . 1 1 74 74 ARG C C 68 177.730 177.730 178.282 -0.552 17610 6096 1 7 . 1 1 74 74 ARG CA C 68 59.093 59.093 59.861 -0.768 17610 6097 1 7 . 1 1 74 74 ARG CB C 68 30.118 30.118 30.329 -0.211 17610 6098 1 7 . 1 1 74 74 ARG H H 68 7.761 7.761 7.889 -0.128 17610 6099 1 7 . 1 1 75 75 ASP N N 69 119.938 119.938 118.659 1.279 17610 6100 1 7 . 1 1 75 75 ASP HA H 69 4.286 4.286 4.543 -0.257 17610 6101 1 7 . 1 1 75 75 ASP C C 69 177.998 177.998 177.940 0.058 17610 6102 1 7 . 1 1 75 75 ASP CA C 69 57.555 57.555 57.011 0.544 17610 6103 1 7 . 1 1 75 75 ASP CB C 69 40.401 40.401 40.539 -0.138 17610 6104 1 7 . 1 1 75 75 ASP H H 69 8.077 8.077 8.281 -0.204 17610 6105 1 7 . 1 1 76 76 GLN N N 70 119.151 119.151 119.782 -0.631 17610 6106 1 7 . 1 1 76 76 GLN HA H 70 4.050 4.050 3.987 0.063 17610 6107 1 7 . 1 1 76 76 GLN C C 70 178.837 178.837 178.403 0.434 17610 6108 1 7 . 1 1 76 76 GLN CA C 70 58.920 58.920 58.820 0.100 17610 6109 1 7 . 1 1 76 76 GLN CB C 70 28.063 28.063 28.424 -0.361 17610 6110 1 7 . 1 1 76 76 GLN H H 70 7.789 7.789 7.371 0.418 17610 6111 1 7 . 1 1 77 77 TYR N N 71 119.847 119.847 117.953 1.894 17610 6112 1 7 . 1 1 77 77 TYR HA H 71 4.548 4.548 4.385 0.163 17610 6113 1 7 . 1 1 77 77 TYR C C 71 178.680 178.680 178.455 0.225 17610 6114 1 7 . 1 1 77 77 TYR CA C 71 58.785 58.785 59.446 -0.661 17610 6115 1 7 . 1 1 77 77 TYR CB C 71 36.986 36.986 37.907 -0.921 17610 6116 1 7 . 1 1 77 77 TYR H H 71 8.131 8.131 7.305 0.826 17610 6117 1 7 . 1 1 78 78 MET N N 72 119.987 119.987 118.320 1.667 17610 6118 1 7 . 1 1 78 78 MET HA H 72 4.402 4.402 3.984 0.418 17610 6119 1 7 . 1 1 78 78 MET C C 72 177.008 177.008 178.749 -1.741 17610 6120 1 7 . 1 1 78 78 MET CA C 72 59.028 59.028 59.743 -0.715 17610 6121 1 7 . 1 1 78 78 MET CB C 72 32.709 32.709 32.194 0.515 17610 6122 1 7 . 1 1 78 78 MET H H 72 8.380 8.380 7.624 0.756 17610 6123 1 7 . 1 1 79 79 ARG N N 73 117.792 117.792 115.384 2.408 17610 6124 1 7 . 1 1 79 79 ARG HA H 73 3.914 3.914 4.217 -0.303 17610 6125 1 7 . 1 1 79 79 ARG C C 73 178.169 178.169 177.334 0.835 17610 6126 1 7 . 1 1 79 79 ARG CA C 73 59.493 59.493 58.419 1.074 17610 6127 1 7 . 1 1 79 79 ARG CB C 73 30.100 30.100 30.417 -0.317 17610 6128 1 7 . 1 1 79 79 ARG H H 73 7.992 7.992 7.643 0.349 17610 6129 1 7 . 1 1 80 80 THR N N 74 110.012 110.012 107.281 2.731 17610 6130 1 7 . 1 1 80 80 THR HA H 74 4.242 4.242 4.452 -0.210 17610 6131 1 7 . 1 1 80 80 THR C C 74 175.640 175.640 174.331 1.309 17610 6132 1 7 . 1 1 80 80 THR CA C 74 62.863 62.863 61.428 1.435 17610 6133 1 7 . 1 1 80 80 THR CB C 74 69.808 69.808 69.379 0.429 17610 6134 1 7 . 1 1 80 80 THR H H 74 7.718 7.718 7.261 0.457 17610 6135 1 7 . 1 1 81 81 GLY N N 75 109.297 109.297 109.530 -0.233 17610 6136 1 7 . 1 1 81 81 GLY C C 75 172.419 172.419 173.989 -1.570 17610 6137 1 7 . 1 1 81 81 GLY CA C 75 46.504 46.504 44.090 2.414 17610 6138 1 7 . 1 1 81 81 GLY H H 75 7.852 7.852 7.628 0.224 17610 6139 1 7 . 1 1 82 82 GLU N N 76 122.399 122.399 124.007 -1.608 17610 6140 1 7 . 1 1 82 82 GLU HA H 76 4.523 4.523 4.217 0.306 17610 6141 1 7 . 1 1 82 82 GLU C C 76 176.409 176.409 175.922 0.487 17610 6142 1 7 . 1 1 82 82 GLU CA C 76 56.469 56.469 58.696 -2.227 17610 6143 1 7 . 1 1 82 82 GLU CB C 76 32.049 32.049 30.510 1.539 17610 6144 1 7 . 1 1 82 82 GLU H H 76 8.879 8.879 8.655 0.224 17610 6145 1 7 . 1 1 83 83 GLY N N 77 102.282 102.282 103.958 -1.676 17610 6146 1 7 . 1 1 83 83 GLY C C 77 170.803 170.803 171.765 -0.962 17610 6147 1 7 . 1 1 83 83 GLY CA C 77 45.453 45.453 44.697 0.756 17610 6148 1 7 . 1 1 83 83 GLY H H 77 7.192 7.192 7.347 -0.155 17610 6149 1 7 . 1 1 84 84 PHE N N 78 122.648 122.648 119.315 3.333 17610 6150 1 7 . 1 1 84 84 PHE HA H 78 5.448 5.448 5.316 0.132 17610 6151 1 7 . 1 1 84 84 PHE C C 78 173.734 173.734 174.239 -0.505 17610 6152 1 7 . 1 1 84 84 PHE CA C 78 57.065 57.065 55.992 1.073 17610 6153 1 7 . 1 1 84 84 PHE CB C 78 42.997 42.997 42.366 0.631 17610 6154 1 7 . 1 1 84 84 PHE H H 78 8.224 8.224 8.651 -0.427 17610 6155 1 7 . 1 1 85 85 LEU N N 79 127.298 127.298 123.698 3.600 17610 6156 1 7 . 1 1 85 85 LEU HA H 79 4.690 4.690 5.166 -0.476 17610 6157 1 7 . 1 1 85 85 LEU C C 79 174.690 174.690 175.152 -0.462 17610 6158 1 7 . 1 1 85 85 LEU CA C 79 53.981 53.981 53.747 0.234 17610 6159 1 7 . 1 1 85 85 LEU CB C 79 43.058 43.058 45.820 -2.762 17610 6160 1 7 . 1 1 85 85 LEU H H 79 9.189 9.189 8.303 0.886 17610 6161 1 7 . 1 1 86 86 CYS N N 80 125.581 125.581 124.879 0.702 17610 6162 1 7 . 1 1 86 86 CYS HA H 80 4.689 4.689 4.586 0.103 17610 6163 1 7 . 1 1 86 86 CYS C C 80 172.664 172.664 173.484 -0.820 17610 6164 1 7 . 1 1 86 86 CYS CA C 80 57.767 57.767 58.386 -0.619 17610 6165 1 7 . 1 1 86 86 CYS CB C 80 27.397 27.397 29.080 -1.683 17610 6166 1 7 . 1 1 86 86 CYS H H 80 8.720 8.720 9.151 -0.431 17610 6167 1 7 . 1 1 87 87 VAL N N 81 127.252 127.252 127.059 0.193 17610 6168 1 7 . 1 1 87 87 VAL HA H 81 4.983 4.983 4.629 0.354 17610 6169 1 7 . 1 1 87 87 VAL C C 81 175.119 175.119 174.891 0.228 17610 6170 1 7 . 1 1 87 87 VAL CA C 81 61.275 61.275 61.876 -0.601 17610 6171 1 7 . 1 1 87 87 VAL CB C 81 33.407 33.407 32.317 1.090 17610 6172 1 7 . 1 1 87 87 VAL H H 81 9.028 9.028 8.088 0.940 17610 6173 1 7 . 1 1 88 88 PHE N N 82 125.157 125.157 126.573 -1.416 17610 6174 1 7 . 1 1 88 88 PHE HA H 82 4.992 4.992 5.180 -0.188 17610 6175 1 7 . 1 1 88 88 PHE C C 82 171.162 171.162 172.972 -1.810 17610 6176 1 7 . 1 1 88 88 PHE CA C 82 55.349 55.349 55.304 0.045 17610 6177 1 7 . 1 1 88 88 PHE CB C 82 40.430 40.430 43.202 -2.772 17610 6178 1 7 . 1 1 88 88 PHE H H 82 9.306 9.306 8.536 0.770 17610 6179 1 7 . 1 1 89 89 ALA N N 83 122.321 122.321 124.930 -2.609 17610 6180 1 7 . 1 1 89 89 ALA HA H 83 5.082 5.082 4.505 0.577 17610 6181 1 7 . 1 1 89 89 ALA C C 83 179.267 179.267 178.320 0.947 17610 6182 1 7 . 1 1 89 89 ALA CA C 83 49.635 49.635 49.641 -0.006 17610 6183 1 7 . 1 1 89 89 ALA CB C 83 21.739 21.739 19.669 2.070 17610 6184 1 7 . 1 1 89 89 ALA H H 83 8.692 8.692 8.331 0.361 17610 6185 1 7 . 1 1 90 90 ILE N N 84 114.459 114.459 120.492 -6.033 17610 6186 1 7 . 1 1 90 90 ILE HA H 84 4.054 4.054 3.516 0.538 17610 6187 1 7 . 1 1 90 90 ILE C C 84 174.164 174.164 176.683 -2.519 17610 6188 1 7 . 1 1 90 90 ILE CA C 84 63.169 63.169 64.376 -1.207 17610 6189 1 7 . 1 1 90 90 ILE CB C 84 38.174 38.174 37.427 0.747 17610 6190 1 7 . 1 1 90 90 ILE H H 84 8.461 8.461 7.480 0.981 17610 6191 1 7 . 1 1 91 91 ASN N N 85 118.240 118.240 118.233 0.007 17610 6192 1 7 . 1 1 91 91 ASN HA H 85 5.049 5.049 4.596 0.453 17610 6193 1 7 . 1 1 91 91 ASN C C 85 174.583 174.583 174.823 -0.240 17610 6194 1 7 . 1 1 91 91 ASN CA C 85 52.161 52.161 54.577 -2.416 17610 6195 1 7 . 1 1 91 91 ASN CB C 85 38.132 38.132 38.742 -0.610 17610 6196 1 7 . 1 1 91 91 ASN H H 85 7.906 7.906 8.517 -0.611 17610 6197 1 7 . 1 1 92 92 ASN N N 86 120.345 120.345 118.412 1.933 17610 6198 1 7 . 1 1 92 92 ASN HA H 86 5.080 5.080 4.922 0.158 17610 6199 1 7 . 1 1 92 92 ASN C C 86 175.090 175.090 175.885 -0.795 17610 6200 1 7 . 1 1 92 92 ASN CA C 86 52.041 52.041 52.323 -0.282 17610 6201 1 7 . 1 1 92 92 ASN CB C 86 39.203 39.203 39.096 0.107 17610 6202 1 7 . 1 1 92 92 ASN H H 86 7.931 7.931 7.635 0.296 17610 6203 1 7 . 1 1 93 93 THR N N 87 125.665 125.665 120.749 4.916 17610 6204 1 7 . 1 1 93 93 THR HA H 87 3.772 3.772 4.206 -0.434 17610 6205 1 7 . 1 1 93 93 THR C C 87 176.012 176.012 176.172 -0.160 17610 6206 1 7 . 1 1 93 93 THR CA C 87 66.753 66.753 66.019 0.734 17610 6207 1 7 . 1 1 93 93 THR CB C 87 68.400 68.400 69.155 -0.755 17610 6208 1 7 . 1 1 93 93 THR H H 87 9.272 9.272 8.687 0.585 17610 6209 1 7 . 1 1 94 94 LYS N N 88 125.404 125.404 121.976 3.428 17610 6210 1 7 . 1 1 94 94 LYS HA H 88 4.186 4.186 4.158 0.028 17610 6211 1 7 . 1 1 94 94 LYS C C 88 178.027 178.027 178.672 -0.645 17610 6212 1 7 . 1 1 94 94 LYS CA C 88 59.359 59.359 59.700 -0.341 17610 6213 1 7 . 1 1 94 94 LYS CB C 88 31.292 31.292 32.405 -1.113 17610 6214 1 7 . 1 1 94 94 LYS H H 88 8.456 8.456 8.170 0.286 17610 6215 1 7 . 1 1 95 95 SER N N 89 115.491 115.491 115.745 -0.254 17610 6216 1 7 . 1 1 95 95 SER HA H 89 4.188 4.188 4.348 -0.160 17610 6217 1 7 . 1 1 95 95 SER C C 89 175.751 175.751 176.830 -1.079 17610 6218 1 7 . 1 1 95 95 SER CA C 89 61.751 61.751 61.787 -0.036 17610 6219 1 7 . 1 1 95 95 SER CB C 89 63.530 63.530 62.721 0.809 17610 6220 1 7 . 1 1 95 95 SER H H 89 7.970 7.970 8.283 -0.313 17610 6221 1 7 . 1 1 96 96 PHE N N 90 125.899 125.899 122.073 3.826 17610 6222 1 7 . 1 1 96 96 PHE HA H 90 4.037 4.037 4.208 -0.171 17610 6223 1 7 . 1 1 96 96 PHE C C 90 177.267 177.267 176.782 0.485 17610 6224 1 7 . 1 1 96 96 PHE CA C 90 59.688 59.688 60.426 -0.738 17610 6225 1 7 . 1 1 96 96 PHE CB C 90 40.175 40.175 38.897 1.278 17610 6226 1 7 . 1 1 96 96 PHE H H 90 7.419 7.419 7.821 -0.402 17610 6227 1 7 . 1 1 97 97 GLU N N 91 122.834 122.834 117.616 5.218 17610 6228 1 7 . 1 1 97 97 GLU HA H 91 3.787 3.787 3.713 0.074 17610 6229 1 7 . 1 1 97 97 GLU C C 91 179.628 179.628 178.236 1.392 17610 6230 1 7 . 1 1 97 97 GLU CA C 91 59.004 59.004 58.856 0.148 17610 6231 1 7 . 1 1 97 97 GLU CB C 91 29.261 29.261 29.384 -0.123 17610 6232 1 7 . 1 1 97 97 GLU H H 91 8.449 8.449 7.644 0.805 17610 6233 1 7 . 1 1 98 98 ASP N N 92 118.617 118.617 120.627 -2.010 17610 6234 1 7 . 1 1 98 98 ASP HA H 92 4.553 4.553 4.334 0.219 17610 6235 1 7 . 1 1 98 98 ASP C C 92 177.582 177.582 178.609 -1.027 17610 6236 1 7 . 1 1 98 98 ASP CA C 92 56.171 56.171 57.373 -1.202 17610 6237 1 7 . 1 1 98 98 ASP CB C 92 41.184 41.184 40.445 0.739 17610 6238 1 7 . 1 1 98 98 ASP H H 92 8.492 8.492 7.732 0.760 17610 6239 1 7 . 1 1 99 99 ILE N N 93 121.939 121.939 117.854 4.085 17610 6240 1 7 . 1 1 99 99 ILE HA H 93 3.954 3.954 4.081 -0.127 17610 6241 1 7 . 1 1 99 99 ILE C C 93 177.442 177.442 177.710 -0.268 17610 6242 1 7 . 1 1 99 99 ILE CA C 93 62.370 62.370 63.159 -0.789 17610 6243 1 7 . 1 1 99 99 ILE CB C 93 34.570 34.570 36.775 -2.205 17610 6244 1 7 . 1 1 99 99 ILE H H 93 7.583 7.583 7.685 -0.102 17610 6245 1 7 . 1 1 100 100 HIS N N 94 118.387 118.387 120.037 -1.650 17610 6246 1 7 . 1 1 100 100 HIS HA H 94 4.273 4.273 4.510 -0.237 17610 6247 1 7 . 1 1 100 100 HIS C C 94 177.345 177.345 177.239 0.106 17610 6248 1 7 . 1 1 100 100 HIS CA C 94 60.090 60.090 59.826 0.264 17610 6249 1 7 . 1 1 100 100 HIS CB C 94 30.512 30.512 30.252 0.261 17610 6250 1 7 . 1 1 100 100 HIS H H 94 7.799 7.799 7.689 0.110 17610 6251 1 7 . 1 1 101 101 GLN N N 95 117.673 117.673 118.644 -0.971 17610 6252 1 7 . 1 1 101 101 GLN HA H 95 3.941 3.941 3.862 0.079 17610 6253 1 7 . 1 1 101 101 GLN C C 95 179.155 179.155 178.347 0.808 17610 6254 1 7 . 1 1 101 101 GLN CA C 95 58.371 58.371 58.127 0.244 17610 6255 1 7 . 1 1 101 101 GLN CB C 95 27.807 27.807 27.511 0.296 17610 6256 1 7 . 1 1 101 101 GLN H H 95 7.468 7.468 7.736 -0.268 17610 6257 1 7 . 1 1 102 102 TYR N N 96 120.407 120.407 120.647 -0.240 17610 6258 1 7 . 1 1 102 102 TYR HA H 96 4.064 4.064 4.165 -0.101 17610 6259 1 7 . 1 1 102 102 TYR C C 96 177.660 177.660 178.077 -0.417 17610 6260 1 7 . 1 1 102 102 TYR CA C 96 62.847 62.847 60.646 2.201 17610 6261 1 7 . 1 1 102 102 TYR CB C 96 37.795 37.795 38.105 -0.310 17610 6262 1 7 . 1 1 102 102 TYR H H 96 7.600 7.600 8.447 -0.847 17610 6263 1 7 . 1 1 103 103 ARG N N 97 119.974 119.974 119.292 0.682 17610 6264 1 7 . 1 1 103 103 ARG HA H 97 3.616 3.616 3.787 -0.171 17610 6265 1 7 . 1 1 103 103 ARG C C 97 177.618 177.618 178.069 -0.451 17610 6266 1 7 . 1 1 103 103 ARG CA C 97 59.938 59.938 59.353 0.585 17610 6267 1 7 . 1 1 103 103 ARG CB C 97 28.599 28.599 29.569 -0.970 17610 6268 1 7 . 1 1 103 103 ARG H H 97 8.395 8.395 7.565 0.830 17610 6269 1 7 . 1 1 104 104 GLU N N 98 118.351 118.351 118.650 -0.299 17610 6270 1 7 . 1 1 104 104 GLU HA H 98 3.781 3.781 3.901 -0.120 17610 6271 1 7 . 1 1 104 104 GLU C C 98 178.982 178.982 178.961 0.021 17610 6272 1 7 . 1 1 104 104 GLU CA C 98 58.900 58.900 59.658 -0.758 17610 6273 1 7 . 1 1 104 104 GLU CB C 98 29.435 29.435 28.894 0.541 17610 6274 1 7 . 1 1 104 104 GLU H H 98 7.970 7.970 7.464 0.506 17610 6275 1 7 . 1 1 105 105 GLN N N 99 121.350 121.350 117.777 3.573 17610 6276 1 7 . 1 1 105 105 GLN HA H 99 3.946 3.946 4.082 -0.136 17610 6277 1 7 . 1 1 105 105 GLN C C 99 177.701 177.701 178.410 -0.709 17610 6278 1 7 . 1 1 105 105 GLN CA C 99 59.037 59.037 58.627 0.410 17610 6279 1 7 . 1 1 105 105 GLN CB C 99 27.938 27.938 28.328 -0.390 17610 6280 1 7 . 1 1 105 105 GLN H H 99 7.907 7.907 7.432 0.475 17610 6281 1 7 . 1 1 106 106 ILE N N 100 121.310 121.310 120.497 0.813 17610 6282 1 7 . 1 1 106 106 ILE HA H 100 3.177 3.177 3.596 -0.419 17610 6283 1 7 . 1 1 106 106 ILE C C 100 177.199 177.199 178.126 -0.927 17610 6284 1 7 . 1 1 106 106 ILE CA C 100 65.682 65.682 64.956 0.726 17610 6285 1 7 . 1 1 106 106 ILE CB C 100 37.874 37.874 37.347 0.527 17610 6286 1 7 . 1 1 106 106 ILE H H 100 7.920 7.920 7.291 0.629 17610 6287 1 7 . 1 1 107 107 LYS N N 101 118.584 118.584 119.567 -0.983 17610 6288 1 7 . 1 1 107 107 LYS HA H 101 3.951 3.951 4.045 -0.094 17610 6289 1 7 . 1 1 107 107 LYS C C 101 179.476 179.476 179.391 0.085 17610 6290 1 7 . 1 1 107 107 LYS CA C 101 59.571 59.571 59.394 0.177 17610 6291 1 7 . 1 1 107 107 LYS CB C 101 32.227 32.227 31.945 0.282 17610 6292 1 7 . 1 1 107 107 LYS H H 101 7.782 7.782 7.631 0.151 17610 6293 1 7 . 1 1 108 108 ARG N N 102 119.152 119.152 119.347 -0.195 17610 6294 1 7 . 1 1 108 108 ARG HA H 102 4.082 4.082 3.953 0.129 17610 6295 1 7 . 1 1 108 108 ARG C C 102 179.582 179.582 178.332 1.250 17610 6296 1 7 . 1 1 108 108 ARG CA C 102 58.946 58.946 59.197 -0.251 17610 6297 1 7 . 1 1 108 108 ARG CB C 102 30.097 30.097 30.230 -0.133 17610 6298 1 7 . 1 1 108 108 ARG H H 102 7.777 7.777 7.333 0.444 17610 6299 1 7 . 1 1 109 109 VAL N N 103 119.544 119.544 119.145 0.399 17610 6300 1 7 . 1 1 109 109 VAL HA H 103 3.837 3.837 3.789 0.047 17610 6301 1 7 . 1 1 109 109 VAL C C 103 177.919 177.919 177.963 -0.044 17610 6302 1 7 . 1 1 109 109 VAL CA C 103 65.393 65.393 65.443 -0.050 17610 6303 1 7 . 1 1 109 109 VAL CB C 103 31.599 31.599 31.782 -0.183 17610 6304 1 7 . 1 1 109 109 VAL H H 103 8.282 8.282 7.559 0.723 17610 6305 1 7 . 1 1 110 110 LYS N N 104 117.592 117.592 117.121 0.471 17610 6306 1 7 . 1 1 110 110 LYS HA H 104 4.269 4.269 4.088 0.181 17610 6307 1 7 . 1 1 110 110 LYS C C 104 175.878 175.878 176.302 -0.424 17610 6308 1 7 . 1 1 110 110 LYS CA C 104 54.797 54.797 57.117 -2.320 17610 6309 1 7 . 1 1 110 110 LYS CB C 104 30.687 30.687 32.739 -2.051 17610 6310 1 7 . 1 1 110 110 LYS H H 104 8.117 8.117 8.285 -0.168 17610 6311 1 7 . 1 1 111 111 ASP N N 105 122.118 122.118 117.629 4.489 17610 6312 1 7 . 1 1 111 111 ASP HA H 105 4.306 4.306 4.407 -0.101 17610 6313 1 7 . 1 1 111 111 ASP C C 105 174.496 174.496 174.954 -0.458 17610 6314 1 7 . 1 1 111 111 ASP CA C 105 54.442 54.442 55.178 -0.736 17610 6315 1 7 . 1 1 111 111 ASP CB C 105 39.792 39.792 39.349 0.443 17610 6316 1 7 . 1 1 111 111 ASP H H 105 7.958 7.958 7.978 -0.020 17610 6317 1 7 . 1 1 112 112 SER N N 106 110.372 110.372 111.265 -0.893 17610 6318 1 7 . 1 1 112 112 SER HA H 106 4.565 4.565 4.533 0.032 17610 6319 1 7 . 1 1 112 112 SER C C 106 172.985 172.985 172.954 0.031 17610 6320 1 7 . 1 1 112 112 SER CA C 106 56.779 56.779 57.355 -0.576 17610 6321 1 7 . 1 1 112 112 SER CB C 106 65.259 65.259 65.395 -0.136 17610 6322 1 7 . 1 1 112 112 SER H H 106 7.539 7.539 7.508 0.031 17610 6323 1 7 . 1 1 113 113 ASP N N 107 123.301 123.301 121.722 1.579 17610 6324 1 7 . 1 1 113 113 ASP HA H 107 4.665 4.665 4.545 0.120 17610 6325 1 7 . 1 1 113 113 ASP C C 107 176.066 176.066 176.301 -0.235 17610 6326 1 7 . 1 1 113 113 ASP CA C 107 54.267 54.267 55.510 -1.243 17610 6327 1 7 . 1 1 113 113 ASP CB C 107 41.837 41.837 40.946 0.891 17610 6328 1 7 . 1 1 113 113 ASP H H 107 8.385 8.385 8.544 -0.159 17610 6329 1 7 . 1 1 114 114 ASP N N 108 122.347 122.347 121.095 1.252 17610 6330 1 7 . 1 1 114 114 ASP HA H 108 4.882 4.882 4.602 0.280 17610 6331 1 7 . 1 1 114 114 ASP C C 108 174.386 174.386 175.727 -1.341 17610 6332 1 7 . 1 1 114 114 ASP CA C 108 53.143 53.143 54.482 -1.339 17610 6333 1 7 . 1 1 114 114 ASP CB C 108 41.323 41.323 39.459 1.865 17610 6334 1 7 . 1 1 114 114 ASP H H 108 8.404 8.404 8.355 0.049 17610 6335 1 7 . 1 1 115 115 VAL N N 109 123.609 123.609 118.699 4.910 17610 6336 1 7 . 1 1 115 115 VAL HA H 109 4.337 4.337 4.326 0.011 17610 6337 1 7 . 1 1 115 115 VAL CA C 109 58.984 58.984 57.320 1.664 17610 6338 1 7 . 1 1 115 115 VAL CB C 109 34.932 34.932 33.353 1.579 17610 6339 1 7 . 1 1 115 115 VAL H H 109 7.649 7.649 7.627 0.022 17610 6340 1 7 . 1 1 116 116 PRO HA H 110 4.430 4.430 4.527 -0.097 17610 6341 1 7 . 1 1 116 116 PRO C C 110 175.942 175.942 175.608 0.334 17610 6342 1 7 . 1 1 116 116 PRO CA C 110 63.872 63.872 63.340 0.532 17610 6343 1 7 . 1 1 116 116 PRO CB C 110 32.120 32.120 31.030 1.090 17610 6344 1 7 . 1 1 117 117 MET N N 111 124.020 124.020 119.207 4.813 17610 6345 1 7 . 1 1 117 117 MET HA H 111 5.777 5.777 5.212 0.565 17610 6346 1 7 . 1 1 117 117 MET C C 111 173.737 173.737 173.818 -0.081 17610 6347 1 7 . 1 1 117 117 MET CA C 111 55.094 55.094 55.128 -0.034 17610 6348 1 7 . 1 1 117 117 MET CB C 111 37.889 37.889 36.623 1.266 17610 6349 1 7 . 1 1 117 117 MET H H 111 8.274 8.274 7.801 0.473 17610 6350 1 7 . 1 1 118 118 VAL N N 112 118.747 118.747 115.965 2.782 17610 6351 1 7 . 1 1 118 118 VAL HA H 112 4.341 4.341 4.541 -0.200 17610 6352 1 7 . 1 1 118 118 VAL C C 112 173.171 173.171 173.511 -0.340 17610 6353 1 7 . 1 1 118 118 VAL CA C 112 60.943 60.943 60.901 0.042 17610 6354 1 7 . 1 1 118 118 VAL CB C 112 37.030 37.030 36.330 0.700 17610 6355 1 7 . 1 1 118 118 VAL H H 112 8.119 8.119 8.908 -0.789 17610 6356 1 7 . 1 1 119 119 LEU N N 113 129.931 129.931 126.322 3.609 17610 6357 1 7 . 1 1 119 119 LEU HA H 113 5.157 5.157 5.152 0.005 17610 6358 1 7 . 1 1 119 119 LEU C C 113 173.496 173.496 174.922 -1.426 17610 6359 1 7 . 1 1 119 119 LEU CA C 113 53.828 53.828 53.638 0.190 17610 6360 1 7 . 1 1 119 119 LEU CB C 113 43.876 43.876 44.284 -0.408 17610 6361 1 7 . 1 1 119 119 LEU H H 113 8.918 8.918 8.207 0.711 17610 6362 1 7 . 1 1 120 120 VAL N N 114 129.371 129.371 127.156 2.215 17610 6363 1 7 . 1 1 120 120 VAL HA H 114 5.117 5.117 5.071 0.046 17610 6364 1 7 . 1 1 120 120 VAL C C 114 173.667 173.667 175.631 -1.964 17610 6365 1 7 . 1 1 120 120 VAL CA C 114 60.124 60.124 60.099 0.025 17610 6366 1 7 . 1 1 120 120 VAL CB C 114 35.225 35.225 34.082 1.143 17610 6367 1 7 . 1 1 120 120 VAL H H 114 9.173 9.173 9.080 0.093 17610 6368 1 7 . 1 1 121 121 GLY N N 115 115.789 115.789 112.679 3.110 17610 6369 1 7 . 1 1 121 121 GLY C C 115 171.603 171.603 173.653 -2.050 17610 6370 1 7 . 1 1 121 121 GLY CA C 115 45.256 45.256 43.992 1.264 17610 6371 1 7 . 1 1 121 121 GLY H H 115 8.046 8.046 9.171 -1.125 17610 6372 1 7 . 1 1 122 122 ASN N N 116 122.349 122.349 124.272 -1.923 17610 6373 1 7 . 1 1 122 122 ASN HA H 116 5.620 5.620 4.839 0.781 17610 6374 1 7 . 1 1 122 122 ASN C C 116 174.732 174.732 175.359 -0.627 17610 6375 1 7 . 1 1 122 122 ASN CA C 116 51.492 51.492 52.682 -1.190 17610 6376 1 7 . 1 1 122 122 ASN CB C 116 41.323 41.323 39.924 1.399 17610 6377 1 7 . 1 1 122 122 ASN H H 116 8.756 8.756 8.066 0.690 17610 6378 1 7 . 1 1 123 123 LYS N N 117 113.297 113.297 115.049 -1.752 17610 6379 1 7 . 1 1 123 123 LYS HA H 117 4.280 4.280 3.908 0.372 17610 6380 1 7 . 1 1 123 123 LYS C C 117 177.324 177.324 175.579 1.745 17610 6381 1 7 . 1 1 123 123 LYS CA C 117 57.273 57.273 57.078 0.195 17610 6382 1 7 . 1 1 123 123 LYS CB C 117 29.775 29.775 29.014 0.761 17610 6383 1 7 . 1 1 123 123 LYS H H 117 7.342 7.342 8.743 -1.401 17610 6384 1 7 . 1 1 124 124 CYS N N 118 115.340 115.340 116.616 -1.276 17610 6385 1 7 . 1 1 124 124 CYS HA H 118 4.292 4.292 4.243 0.049 17610 6386 1 7 . 1 1 124 124 CYS C C 118 173.325 173.325 175.143 -1.818 17610 6387 1 7 . 1 1 124 124 CYS CA C 118 60.698 60.698 60.150 0.548 17610 6388 1 7 . 1 1 124 124 CYS CB C 118 26.387 26.387 28.200 -1.813 17610 6389 1 7 . 1 1 124 124 CYS H H 118 8.763 8.763 8.089 0.674 17610 6390 1 7 . 1 1 125 125 ASP N N 119 118.603 118.603 120.579 -1.976 17610 6391 1 7 . 1 1 125 125 ASP HA H 119 4.476 4.476 4.563 -0.087 17610 6392 1 7 . 1 1 125 125 ASP C C 119 175.464 175.464 176.740 -1.276 17610 6393 1 7 . 1 1 125 125 ASP CA C 119 53.951 53.951 54.408 -0.457 17610 6394 1 7 . 1 1 125 125 ASP CB C 119 41.323 41.323 41.392 -0.069 17610 6395 1 7 . 1 1 125 125 ASP H H 119 8.613 8.613 7.801 0.812 17610 6396 1 7 . 1 1 126 126 LEU N N 120 122.098 122.098 121.658 0.440 17610 6397 1 7 . 1 1 126 126 LEU HA H 120 4.241 4.241 4.135 0.106 17610 6398 1 7 . 1 1 126 126 LEU C C 120 176.420 176.420 176.543 -0.123 17610 6399 1 7 . 1 1 126 126 LEU CA C 120 54.723 54.723 55.092 -0.369 17610 6400 1 7 . 1 1 126 126 LEU CB C 120 41.837 41.837 42.633 -0.796 17610 6401 1 7 . 1 1 126 126 LEU H H 120 7.802 7.802 7.933 -0.131 17610 6402 1 7 . 1 1 127 127 ALA N N 121 123.959 123.959 125.794 -1.835 17610 6403 1 7 . 1 1 127 127 ALA HA H 121 4.214 4.214 4.280 -0.066 17610 6404 1 7 . 1 1 127 127 ALA C C 121 178.717 178.717 176.602 2.115 17610 6405 1 7 . 1 1 127 127 ALA CA C 121 53.179 53.179 52.606 0.573 17610 6406 1 7 . 1 1 127 127 ALA CB C 121 18.871 18.871 18.799 0.073 17610 6407 1 7 . 1 1 127 127 ALA H H 121 8.160 8.160 8.457 -0.297 17610 6408 1 7 . 1 1 128 128 ALA N N 122 123.078 123.078 121.684 1.394 17610 6409 1 7 . 1 1 128 128 ALA HA H 122 4.524 4.524 4.500 0.024 17610 6410 1 7 . 1 1 128 128 ALA C C 122 175.272 175.272 175.785 -0.513 17610 6411 1 7 . 1 1 128 128 ALA CA C 122 51.259 51.259 51.361 -0.102 17610 6412 1 7 . 1 1 128 128 ALA CB C 122 17.623 17.623 19.281 -1.658 17610 6413 1 7 . 1 1 128 128 ALA H H 122 7.698 7.698 7.669 0.029 17610 6414 1 7 . 1 1 129 129 ARG N N 123 121.454 121.454 119.766 1.688 17610 6415 1 7 . 1 1 129 129 ARG HA H 123 4.093 4.093 4.363 -0.270 17610 6416 1 7 . 1 1 129 129 ARG C C 123 176.271 176.271 175.542 0.729 17610 6417 1 7 . 1 1 129 129 ARG CA C 123 55.596 55.596 55.542 0.054 17610 6418 1 7 . 1 1 129 129 ARG CB C 123 32.696 32.696 30.691 2.005 17610 6419 1 7 . 1 1 129 129 ARG H H 123 7.992 7.992 7.971 0.021 17610 6420 1 7 . 1 1 130 130 THR N N 124 115.617 115.617 115.917 -0.300 17610 6421 1 7 . 1 1 130 130 THR HA H 124 4.564 4.564 4.416 0.148 17610 6422 1 7 . 1 1 130 130 THR C C 124 174.119 174.119 174.984 -0.865 17610 6423 1 7 . 1 1 130 130 THR CA C 124 61.746 61.746 62.346 -0.600 17610 6424 1 7 . 1 1 130 130 THR CB C 124 69.094 69.094 70.142 -1.048 17610 6425 1 7 . 1 1 130 130 THR H H 124 9.145 9.145 8.683 0.462 17610 6426 1 7 . 1 1 131 131 VAL N N 125 125.688 125.688 124.842 0.846 17610 6427 1 7 . 1 1 131 131 VAL HA H 125 4.015 4.015 4.023 -0.008 17610 6428 1 7 . 1 1 131 131 VAL C C 125 175.658 175.658 175.003 0.655 17610 6429 1 7 . 1 1 131 131 VAL CA C 125 61.373 61.373 61.821 -0.448 17610 6430 1 7 . 1 1 131 131 VAL CB C 125 33.147 33.147 31.648 1.499 17610 6431 1 7 . 1 1 131 131 VAL H H 125 7.618 7.618 8.097 -0.479 17610 6432 1 7 . 1 1 132 132 GLU N N 126 128.319 128.319 127.192 1.127 17610 6433 1 7 . 1 1 132 132 GLU HA H 126 4.228 4.228 4.174 0.054 17610 6434 1 7 . 1 1 132 132 GLU C C 126 177.986 177.986 177.529 0.457 17610 6435 1 7 . 1 1 132 132 GLU CA C 126 56.323 56.323 56.268 0.055 17610 6436 1 7 . 1 1 132 132 GLU CB C 126 30.158 30.158 30.303 -0.145 17610 6437 1 7 . 1 1 132 132 GLU H H 126 8.727 8.727 8.117 0.610 17610 6438 1 7 . 1 1 133 133 SER N N 127 122.970 122.970 117.062 5.908 17610 6439 1 7 . 1 1 133 133 SER HA H 127 4.074 4.074 4.225 -0.151 17610 6440 1 7 . 1 1 133 133 SER C C 127 176.633 176.633 176.294 0.339 17610 6441 1 7 . 1 1 133 133 SER CA C 127 62.598 62.598 61.476 1.122 17610 6442 1 7 . 1 1 133 133 SER CB C 127 62.511 62.511 63.380 -0.869 17610 6443 1 7 . 1 1 133 133 SER H H 127 9.421 9.421 8.900 0.521 17610 6444 1 7 . 1 1 134 134 ARG N N 128 119.141 119.141 121.651 -2.510 17610 6445 1 7 . 1 1 134 134 ARG HA H 128 4.028 4.028 4.046 -0.018 17610 6446 1 7 . 1 1 134 134 ARG C C 128 177.739 177.739 178.320 -0.581 17610 6447 1 7 . 1 1 134 134 ARG CA C 128 58.785 58.785 58.973 -0.188 17610 6448 1 7 . 1 1 134 134 ARG CB C 128 29.752 29.752 29.183 0.569 17610 6449 1 7 . 1 1 134 134 ARG H H 128 8.675 8.675 8.558 0.117 17610 6450 1 7 . 1 1 135 135 GLN N N 129 118.050 118.050 117.158 0.892 17610 6451 1 7 . 1 1 135 135 GLN HA H 129 4.091 4.091 4.016 0.075 17610 6452 1 7 . 1 1 135 135 GLN C C 129 179.009 179.009 177.670 1.339 17610 6453 1 7 . 1 1 135 135 GLN CA C 129 58.389 58.389 59.076 -0.687 17610 6454 1 7 . 1 1 135 135 GLN CB C 129 28.916 28.916 28.226 0.690 17610 6455 1 7 . 1 1 135 135 GLN H H 129 6.796 6.796 8.497 -1.701 17610 6456 1 7 . 1 1 136 136 ALA N N 130 124.769 124.769 121.733 3.036 17610 6457 1 7 . 1 1 136 136 ALA HA H 130 3.933 3.933 3.840 0.093 17610 6458 1 7 . 1 1 136 136 ALA C C 130 178.155 178.155 179.487 -1.332 17610 6459 1 7 . 1 1 136 136 ALA CA C 130 54.760 54.760 54.582 0.178 17610 6460 1 7 . 1 1 136 136 ALA CB C 130 18.546 18.546 17.770 0.776 17610 6461 1 7 . 1 1 136 136 ALA H H 130 7.017 7.017 7.320 -0.303 17610 6462 1 7 . 1 1 137 137 GLN N N 131 119.215 119.215 117.712 1.503 17610 6463 1 7 . 1 1 137 137 GLN HA H 131 3.720 3.720 3.737 -0.017 17610 6464 1 7 . 1 1 137 137 GLN C C 131 179.387 179.387 178.086 1.301 17610 6465 1 7 . 1 1 137 137 GLN CA C 131 58.815 58.815 59.414 -0.599 17610 6466 1 7 . 1 1 137 137 GLN CB C 131 28.503 28.503 28.562 -0.059 17610 6467 1 7 . 1 1 137 137 GLN H H 131 8.602 8.602 8.277 0.325 17610 6468 1 7 . 1 1 138 138 ASP N N 132 121.298 121.298 120.800 0.498 17610 6469 1 7 . 1 1 138 138 ASP HA H 132 4.371 4.371 4.318 0.053 17610 6470 1 7 . 1 1 138 138 ASP C C 132 178.855 178.855 178.511 0.344 17610 6471 1 7 . 1 1 138 138 ASP CA C 132 57.425 57.425 57.229 0.196 17610 6472 1 7 . 1 1 138 138 ASP CB C 132 40.860 40.860 40.703 0.157 17610 6473 1 7 . 1 1 138 138 ASP H H 132 8.203 8.203 7.853 0.350 17610 6474 1 7 . 1 1 139 139 LEU N N 133 124.786 124.786 120.115 4.671 17610 6475 1 7 . 1 1 139 139 LEU HA H 133 3.888 3.888 3.950 -0.062 17610 6476 1 7 . 1 1 139 139 LEU C C 133 178.953 178.953 178.346 0.607 17610 6477 1 7 . 1 1 139 139 LEU CA C 133 57.827 57.827 57.778 0.049 17610 6478 1 7 . 1 1 139 139 LEU CB C 133 41.837 41.837 41.304 0.533 17610 6479 1 7 . 1 1 139 139 LEU H H 133 7.485 7.485 7.306 0.179 17610 6480 1 7 . 1 1 140 140 ALA N N 134 123.038 123.038 121.013 2.025 17610 6481 1 7 . 1 1 140 140 ALA HA H 134 3.783 3.783 3.988 -0.205 17610 6482 1 7 . 1 1 140 140 ALA C C 134 179.902 179.902 179.071 0.831 17610 6483 1 7 . 1 1 140 140 ALA CA C 134 55.832 55.832 54.875 0.957 17610 6484 1 7 . 1 1 140 140 ALA CB C 134 18.120 18.120 18.473 -0.353 17610 6485 1 7 . 1 1 140 140 ALA H H 134 8.426 8.426 7.717 0.709 17610 6486 1 7 . 1 1 141 141 ARG N N 135 119.537 119.537 117.117 2.420 17610 6487 1 7 . 1 1 141 141 ARG HA H 135 4.194 4.194 4.045 0.149 17610 6488 1 7 . 1 1 141 141 ARG C C 135 180.037 180.037 178.356 1.681 17610 6489 1 7 . 1 1 141 141 ARG CA C 135 59.331 59.331 58.877 0.454 17610 6490 1 7 . 1 1 141 141 ARG CB C 135 29.864 29.864 30.145 -0.281 17610 6491 1 7 . 1 1 141 141 ARG H H 135 8.459 8.459 8.446 0.013 17610 6492 1 7 . 1 1 142 142 SER N N 136 118.958 118.958 114.675 4.283 17610 6493 1 7 . 1 1 142 142 SER HA H 136 4.277 4.277 4.215 0.062 17610 6494 1 7 . 1 1 142 142 SER C C 136 176.127 176.127 175.424 0.703 17610 6495 1 7 . 1 1 142 142 SER CA C 136 61.509 61.509 60.822 0.687 17610 6496 1 7 . 1 1 142 142 SER CB C 136 62.529 62.529 63.049 -0.520 17610 6497 1 7 . 1 1 142 142 SER H H 136 7.944 7.944 7.481 0.463 17610 6498 1 7 . 1 1 143 143 TYR N N 137 121.309 121.309 119.208 2.101 17610 6499 1 7 . 1 1 143 143 TYR HA H 137 4.907 4.907 4.490 0.417 17610 6500 1 7 . 1 1 143 143 TYR C C 137 176.279 176.279 176.517 -0.238 17610 6501 1 7 . 1 1 143 143 TYR CA C 137 54.737 54.737 57.456 -2.719 17610 6502 1 7 . 1 1 143 143 TYR CB C 137 38.830 38.830 38.697 0.133 17610 6503 1 7 . 1 1 143 143 TYR H H 137 7.623 7.623 7.118 0.505 17610 6504 1 7 . 1 1 144 144 GLY N N 138 112.193 112.193 107.552 4.641 17610 6505 1 7 . 1 1 144 144 GLY C C 138 175.077 175.077 174.620 0.457 17610 6506 1 7 . 1 1 144 144 GLY CA C 138 46.439 46.439 45.475 0.964 17610 6507 1 7 . 1 1 144 144 GLY H H 138 8.328 8.328 7.528 0.800 17610 6508 1 7 . 1 1 145 145 ILE N N 139 114.227 114.227 116.640 -2.413 17610 6509 1 7 . 1 1 145 145 ILE HA H 139 5.241 5.241 4.793 0.448 17610 6510 1 7 . 1 1 145 145 ILE CA C 139 58.420 58.420 57.963 0.457 17610 6511 1 7 . 1 1 145 145 ILE CB C 139 38.543 38.543 39.130 -0.587 17610 6512 1 7 . 1 1 145 145 ILE H H 139 8.059 8.059 7.505 0.554 17610 6513 1 7 . 1 1 146 146 PRO HA H 140 4.627 4.627 4.524 0.103 17610 6514 1 7 . 1 1 146 146 PRO C C 140 174.570 174.570 175.239 -0.669 17610 6515 1 7 . 1 1 146 146 PRO CA C 140 62.362 62.362 62.408 -0.046 17610 6516 1 7 . 1 1 146 146 PRO CB C 140 33.057 33.057 32.504 0.553 17610 6517 1 7 . 1 1 147 147 TYR N N 141 121.135 121.135 122.258 -1.123 17610 6518 1 7 . 1 1 147 147 TYR HA H 141 5.997 5.997 5.619 0.378 17610 6519 1 7 . 1 1 147 147 TYR C C 141 174.492 174.492 174.650 -0.158 17610 6520 1 7 . 1 1 147 147 TYR CA C 141 54.912 54.912 56.282 -1.370 17610 6521 1 7 . 1 1 147 147 TYR CB C 141 40.972 40.972 40.782 0.190 17610 6522 1 7 . 1 1 147 147 TYR H H 141 8.252 8.252 8.371 -0.119 17610 6523 1 7 . 1 1 148 148 ILE N N 142 131.362 131.362 128.452 2.910 17610 6524 1 7 . 1 1 148 148 ILE HA H 142 3.948 3.948 4.252 -0.304 17610 6525 1 7 . 1 1 148 148 ILE C C 142 172.977 172.977 174.228 -1.251 17610 6526 1 7 . 1 1 148 148 ILE CA C 142 59.383 59.383 59.494 -0.111 17610 6527 1 7 . 1 1 148 148 ILE CB C 142 42.260 42.260 41.812 0.448 17610 6528 1 7 . 1 1 148 148 ILE H H 142 8.495 8.495 8.200 0.295 17610 6529 1 7 . 1 1 149 149 GLU N N 143 125.874 125.874 124.489 1.385 17610 6530 1 7 . 1 1 149 149 GLU HA H 143 4.788 4.788 4.671 0.117 17610 6531 1 7 . 1 1 149 149 GLU C C 143 176.128 176.128 175.568 0.560 17610 6532 1 7 . 1 1 149 149 GLU CA C 143 55.647 55.647 55.369 0.278 17610 6533 1 7 . 1 1 149 149 GLU CB C 143 29.727 29.727 31.552 -1.825 17610 6534 1 7 . 1 1 149 149 GLU H H 143 7.827 7.827 8.607 -0.780 17610 6535 1 7 . 1 1 150 150 THR N N 144 113.629 113.629 114.302 -0.673 17610 6536 1 7 . 1 1 150 150 THR HA H 144 5.081 5.081 5.238 -0.157 17610 6537 1 7 . 1 1 150 150 THR C C 144 176.136 176.136 173.208 2.928 17610 6538 1 7 . 1 1 150 150 THR CA C 144 59.464 59.464 59.761 -0.297 17610 6539 1 7 . 1 1 150 150 THR CB C 144 73.639 73.639 71.744 1.895 17610 6540 1 7 . 1 1 150 150 THR H H 144 8.800 8.800 8.457 0.343 17610 6541 1 7 . 1 1 151 151 SER N N 145 113.706 113.706 115.162 -1.456 17610 6542 1 7 . 1 1 151 151 SER HA H 145 4.883 4.883 5.106 -0.223 17610 6543 1 7 . 1 1 151 151 SER C C 145 175.707 175.707 173.510 2.197 17610 6544 1 7 . 1 1 151 151 SER CA C 145 57.438 57.438 56.680 0.758 17610 6545 1 7 . 1 1 151 151 SER CB C 145 64.470 64.470 65.683 -1.213 17610 6546 1 7 . 1 1 151 151 SER H H 145 8.807 8.807 8.269 0.538 17610 6547 1 7 . 1 1 152 152 ALA N N 146 133.500 133.500 129.290 4.210 17610 6548 1 7 . 1 1 152 152 ALA HA H 146 3.890 3.890 4.155 -0.265 17610 6549 1 7 . 1 1 152 152 ALA C C 146 175.632 175.632 177.095 -1.463 17610 6550 1 7 . 1 1 152 152 ALA CA C 146 54.416 54.416 54.514 -0.098 17610 6551 1 7 . 1 1 152 152 ALA CB C 146 18.605 18.605 19.027 -0.422 17610 6552 1 7 . 1 1 152 152 ALA H H 146 9.134 9.134 8.653 0.481 17610 6553 1 7 . 1 1 153 153 LYS N N 147 117.223 117.223 117.613 -0.390 17610 6554 1 7 . 1 1 153 153 LYS HA H 147 2.616 2.616 3.696 -1.080 17610 6555 1 7 . 1 1 153 153 LYS C C 147 177.045 177.045 176.813 0.232 17610 6556 1 7 . 1 1 153 153 LYS CA C 147 58.119 58.119 57.955 0.164 17610 6557 1 7 . 1 1 153 153 LYS CB C 147 33.956 33.956 32.791 1.165 17610 6558 1 7 . 1 1 153 153 LYS H H 147 7.042 7.042 7.881 -0.839 17610 6559 1 7 . 1 1 154 154 THR N N 148 107.404 107.404 108.794 -1.390 17610 6560 1 7 . 1 1 154 154 THR HA H 148 4.157 4.157 4.347 -0.190 17610 6561 1 7 . 1 1 154 154 THR C C 148 175.979 175.979 174.198 1.781 17610 6562 1 7 . 1 1 154 154 THR CA C 148 61.489 61.489 60.596 0.892 17610 6563 1 7 . 1 1 154 154 THR CB C 148 69.911 69.911 68.198 1.713 17610 6564 1 7 . 1 1 154 154 THR H H 148 7.721 7.721 7.818 -0.097 17610 6565 1 7 . 1 1 155 155 ARG N N 149 119.268 119.268 116.912 2.356 17610 6566 1 7 . 1 1 155 155 ARG HA H 149 3.476 3.476 3.889 -0.413 17610 6567 1 7 . 1 1 155 155 ARG C C 149 175.481 175.481 174.872 0.609 17610 6568 1 7 . 1 1 155 155 ARG CA C 149 59.653 59.653 56.862 2.791 17610 6569 1 7 . 1 1 155 155 ARG CB C 149 30.445 30.445 26.962 3.483 17610 6570 1 7 . 1 1 155 155 ARG H H 149 7.814 7.814 7.394 0.420 17610 6571 1 7 . 1 1 156 156 GLN N N 150 125.391 125.391 122.566 2.825 17610 6572 1 7 . 1 1 156 156 GLN HA H 150 4.065 4.065 4.418 -0.353 17610 6573 1 7 . 1 1 156 156 GLN C C 150 177.007 177.007 175.988 1.019 17610 6574 1 7 . 1 1 156 156 GLN CA C 150 57.433 57.433 54.973 2.460 17610 6575 1 7 . 1 1 156 156 GLN CB C 150 28.472 28.472 29.793 -1.321 17610 6576 1 7 . 1 1 156 156 GLN H H 150 7.833 7.833 7.452 0.381 17610 6577 1 7 . 1 1 157 157 GLY N N 151 116.380 116.380 114.017 2.363 17610 6578 1 7 . 1 1 157 157 GLY C C 151 173.581 173.581 174.669 -1.088 17610 6579 1 7 . 1 1 157 157 GLY CA C 151 46.945 46.945 46.391 0.554 17610 6580 1 7 . 1 1 157 157 GLY H H 151 8.936 8.936 8.878 0.058 17610 6581 1 7 . 1 1 158 158 VAL N N 152 121.822 121.822 119.542 2.280 17610 6582 1 7 . 1 1 158 158 VAL HA H 152 3.221 3.221 3.538 -0.317 17610 6583 1 7 . 1 1 158 158 VAL C C 152 177.006 177.006 177.444 -0.438 17610 6584 1 7 . 1 1 158 158 VAL CA C 152 68.314 68.314 65.616 2.698 17610 6585 1 7 . 1 1 158 158 VAL CB C 152 31.473 31.473 31.425 0.048 17610 6586 1 7 . 1 1 158 158 VAL H H 152 7.099 7.099 8.120 -1.021 17610 6587 1 7 . 1 1 159 159 GLU N N 153 118.087 118.087 117.878 0.209 17610 6588 1 7 . 1 1 159 159 GLU HA H 153 3.305 3.305 3.501 -0.196 17610 6589 1 7 . 1 1 159 159 GLU C C 153 177.163 177.163 178.289 -1.126 17610 6590 1 7 . 1 1 159 159 GLU CA C 153 60.407 60.407 59.604 0.803 17610 6591 1 7 . 1 1 159 159 GLU CB C 153 28.787 28.787 28.885 -0.098 17610 6592 1 7 . 1 1 159 159 GLU H H 153 8.271 8.271 8.567 -0.296 17610 6593 1 7 . 1 1 160 160 ASP N N 154 117.624 117.624 120.150 -2.526 17610 6594 1 7 . 1 1 160 160 ASP HA H 154 4.205 4.205 4.581 -0.376 17610 6595 1 7 . 1 1 160 160 ASP C C 154 179.366 179.366 178.063 1.303 17610 6596 1 7 . 1 1 160 160 ASP CA C 154 57.288 57.288 57.509 -0.221 17610 6597 1 7 . 1 1 160 160 ASP CB C 154 40.040 40.040 40.525 -0.485 17610 6598 1 7 . 1 1 160 160 ASP H H 154 8.145 8.145 8.120 0.025 17610 6599 1 7 . 1 1 161 161 ALA N N 155 125.270 125.270 122.635 2.635 17610 6600 1 7 . 1 1 161 161 ALA HA H 155 3.749 3.749 4.065 -0.316 17610 6601 1 7 . 1 1 161 161 ALA C C 155 177.684 177.684 179.933 -2.249 17610 6602 1 7 . 1 1 161 161 ALA CA C 155 56.295 56.295 55.041 1.254 17610 6603 1 7 . 1 1 161 161 ALA CB C 155 17.397 17.397 18.565 -1.168 17610 6604 1 7 . 1 1 161 161 ALA H H 155 8.603 8.603 7.588 1.015 17610 6605 1 7 . 1 1 162 162 PHE N N 156 113.772 113.772 117.463 -3.691 17610 6606 1 7 . 1 1 162 162 PHE HA H 156 3.912 3.912 4.103 -0.191 17610 6607 1 7 . 1 1 162 162 PHE C C 156 177.975 177.975 177.935 0.040 17610 6608 1 7 . 1 1 162 162 PHE CA C 156 62.851 62.851 60.880 1.971 17610 6609 1 7 . 1 1 162 162 PHE CB C 156 39.472 39.472 38.182 1.290 17610 6610 1 7 . 1 1 162 162 PHE H H 156 7.236 7.236 7.768 -0.532 17610 6611 1 7 . 1 1 163 163 TYR N N 157 120.499 120.499 117.879 2.620 17610 6612 1 7 . 1 1 163 163 TYR HA H 157 4.355 4.355 4.180 0.175 17610 6613 1 7 . 1 1 163 163 TYR C C 157 179.097 179.097 178.366 0.731 17610 6614 1 7 . 1 1 163 163 TYR CA C 157 58.309 58.309 60.298 -1.989 17610 6615 1 7 . 1 1 163 163 TYR CB C 157 35.012 35.012 37.423 -2.411 17610 6616 1 7 . 1 1 163 163 TYR H H 157 9.573 9.573 8.368 1.205 17610 6617 1 7 . 1 1 164 164 THR N N 158 118.206 118.206 115.331 2.875 17610 6618 1 7 . 1 1 164 164 THR HA H 158 3.903 3.903 4.001 -0.098 17610 6619 1 7 . 1 1 164 164 THR C C 158 175.656 175.656 176.315 -0.659 17610 6620 1 7 . 1 1 164 164 THR CA C 158 67.484 67.484 66.223 1.261 17610 6621 1 7 . 1 1 164 164 THR CB C 158 67.819 67.819 68.356 -0.537 17610 6622 1 7 . 1 1 164 164 THR H H 158 8.538 8.538 8.583 -0.045 17610 6623 1 7 . 1 1 165 165 LEU N N 159 122.864 122.864 122.764 0.100 17610 6624 1 7 . 1 1 165 165 LEU HA H 159 3.871 3.871 4.054 -0.183 17610 6625 1 7 . 1 1 165 165 LEU C C 159 177.513 177.513 177.724 -0.211 17610 6626 1 7 . 1 1 165 165 LEU CA C 159 57.991 57.991 57.956 0.035 17610 6627 1 7 . 1 1 165 165 LEU CB C 159 40.181 40.181 41.286 -1.105 17610 6628 1 7 . 1 1 165 165 LEU H H 159 7.232 7.232 7.522 -0.290 17610 6629 1 7 . 1 1 166 166 VAL N N 160 120.322 120.322 118.785 1.537 17610 6630 1 7 . 1 1 166 166 VAL HA H 160 3.045 3.045 3.283 -0.238 17610 6631 1 7 . 1 1 166 166 VAL C C 160 177.474 177.474 178.171 -0.697 17610 6632 1 7 . 1 1 166 166 VAL CA C 160 67.389 67.389 67.236 0.153 17610 6633 1 7 . 1 1 166 166 VAL CB C 160 30.944 30.944 31.165 -0.221 17610 6634 1 7 . 1 1 166 166 VAL H H 160 7.517 7.517 7.495 0.022 17610 6635 1 7 . 1 1 167 167 ARG N N 161 120.151 120.151 118.422 1.729 17610 6636 1 7 . 1 1 167 167 ARG HA H 161 3.772 3.772 4.019 -0.247 17610 6637 1 7 . 1 1 167 167 ARG C C 161 179.030 179.030 178.611 0.419 17610 6638 1 7 . 1 1 167 167 ARG CA C 161 60.935 60.935 59.757 1.179 17610 6639 1 7 . 1 1 167 167 ARG CB C 161 29.586 29.586 30.076 -0.490 17610 6640 1 7 . 1 1 167 167 ARG H H 161 8.044 8.044 7.501 0.543 17610 6641 1 7 . 1 1 168 168 GLU N N 162 119.201 119.201 120.849 -1.648 17610 6642 1 7 . 1 1 168 168 GLU HA H 162 4.050 4.050 4.145 -0.095 17610 6643 1 7 . 1 1 168 168 GLU C C 162 179.805 179.805 179.013 0.792 17610 6644 1 7 . 1 1 168 168 GLU CA C 162 58.867 58.867 59.306 -0.439 17610 6645 1 7 . 1 1 168 168 GLU CB C 162 30.330 30.330 29.289 1.041 17610 6646 1 7 . 1 1 168 168 GLU H H 162 8.171 8.171 7.836 0.335 17610 6647 1 7 . 1 1 169 169 ILE N N 163 123.244 123.244 119.567 3.677 17610 6648 1 7 . 1 1 169 169 ILE HA H 163 3.583 3.583 3.705 -0.122 17610 6649 1 7 . 1 1 169 169 ILE C C 163 178.906 178.906 178.722 0.184 17610 6650 1 7 . 1 1 169 169 ILE CA C 163 66.023 66.023 65.510 0.513 17610 6651 1 7 . 1 1 169 169 ILE CB C 163 38.204 38.204 37.831 0.373 17610 6652 1 7 . 1 1 169 169 ILE H H 163 8.174 8.174 8.493 -0.319 17610 6653 1 7 . 1 1 170 170 ARG N N 164 119.842 119.842 119.040 0.802 17610 6654 1 7 . 1 1 170 170 ARG HA H 164 4.140 4.140 4.079 0.061 17610 6655 1 7 . 1 1 170 170 ARG C C 164 177.532 177.532 178.452 -0.920 17610 6656 1 7 . 1 1 170 170 ARG CA C 164 58.944 58.944 59.079 -0.135 17610 6657 1 7 . 1 1 170 170 ARG CB C 164 31.206 31.206 29.893 1.313 17610 6658 1 7 . 1 1 170 170 ARG H H 164 8.405 8.405 7.612 0.793 17610 6659 1 7 . 1 1 171 171 GLN N N 165 116.762 116.762 116.410 0.352 17610 6660 1 7 . 1 1 171 171 GLN HA H 165 4.343 4.343 4.170 0.173 17610 6661 1 7 . 1 1 171 171 GLN C C 165 175.218 175.218 176.666 -1.448 17610 6662 1 7 . 1 1 171 171 GLN CA C 165 56.100 56.100 57.791 -1.692 17610 6663 1 7 . 1 1 171 171 GLN CB C 165 29.236 29.236 29.180 0.056 17610 6664 1 7 . 1 1 171 171 GLN H H 165 7.646 7.646 7.669 -0.023 17610 6665 1 8 . 1 1 8 8 THR N N 2 124.188 124.188 119.368 4.820 17610 6666 1 8 . 1 1 8 8 THR HA H 2 3.983 3.983 4.173 -0.190 17610 6667 1 8 . 1 1 8 8 THR C C 2 171.971 171.971 172.968 -0.997 17610 6668 1 8 . 1 1 8 8 THR CA C 2 63.551 63.551 63.365 0.186 17610 6669 1 8 . 1 1 8 8 THR CB C 2 69.619 69.619 69.436 0.183 17610 6670 1 8 . 1 1 8 8 THR H H 2 8.667 8.667 8.743 -0.076 17610 6671 1 8 . 1 1 9 9 GLU N N 3 127.895 127.895 123.470 4.425 17610 6672 1 8 . 1 1 9 9 GLU HA H 3 5.280 5.280 4.321 0.959 17610 6673 1 8 . 1 1 9 9 GLU C C 3 175.089 175.089 175.186 -0.097 17610 6674 1 8 . 1 1 9 9 GLU CA C 3 53.636 53.636 55.841 -2.205 17610 6675 1 8 . 1 1 9 9 GLU CB C 3 32.029 32.029 31.399 0.630 17610 6676 1 8 . 1 1 9 9 GLU H H 3 8.316 8.316 8.273 0.043 17610 6677 1 8 . 1 1 10 10 TYR N N 4 123.375 123.375 124.633 -1.258 17610 6678 1 8 . 1 1 10 10 TYR HA H 4 5.131 5.131 4.680 0.451 17610 6679 1 8 . 1 1 10 10 TYR C C 4 174.621 174.621 174.773 -0.152 17610 6680 1 8 . 1 1 10 10 TYR CA C 4 56.649 56.649 56.472 0.177 17610 6681 1 8 . 1 1 10 10 TYR CB C 4 41.323 41.323 40.304 1.019 17610 6682 1 8 . 1 1 10 10 TYR H H 4 8.739 8.739 8.204 0.535 17610 6683 1 8 . 1 1 11 11 LYS N N 5 125.147 125.147 126.326 -1.179 17610 6684 1 8 . 1 1 11 11 LYS HA H 5 5.168 5.168 4.432 0.736 17610 6685 1 8 . 1 1 11 11 LYS C C 5 175.291 175.291 175.079 0.212 17610 6686 1 8 . 1 1 11 11 LYS CA C 5 55.145 55.145 55.818 -0.673 17610 6687 1 8 . 1 1 11 11 LYS CB C 5 32.225 32.225 32.417 -0.192 17610 6688 1 8 . 1 1 11 11 LYS H H 5 9.142 9.142 8.882 0.260 17610 6689 1 8 . 1 1 12 12 LEU N N 6 127.306 127.306 127.314 -0.008 17610 6690 1 8 . 1 1 12 12 LEU HA H 6 4.970 4.970 4.273 0.697 17610 6691 1 8 . 1 1 12 12 LEU C C 6 175.298 175.298 174.719 0.579 17610 6692 1 8 . 1 1 12 12 LEU CA C 6 52.743 52.743 54.542 -1.799 17610 6693 1 8 . 1 1 12 12 LEU CB C 6 43.063 43.063 43.397 -0.334 17610 6694 1 8 . 1 1 12 12 LEU H H 6 9.150 9.150 8.991 0.159 17610 6695 1 8 . 1 1 13 13 VAL N N 7 123.170 123.170 126.157 -2.987 17610 6696 1 8 . 1 1 13 13 VAL HA H 7 4.827 4.827 4.379 0.448 17610 6697 1 8 . 1 1 13 13 VAL C C 7 174.230 174.230 175.298 -1.068 17610 6698 1 8 . 1 1 13 13 VAL CB C 7 34.048 34.048 32.087 1.961 17610 6699 1 8 . 1 1 13 13 VAL H H 7 8.113 8.113 7.880 0.233 17610 6700 1 8 . 1 1 14 14 VAL N N 8 129.854 129.854 128.230 1.624 17610 6701 1 8 . 1 1 14 14 VAL HA H 8 4.669 4.669 4.070 0.599 17610 6702 1 8 . 1 1 14 14 VAL C C 8 175.377 175.377 175.713 -0.336 17610 6703 1 8 . 1 1 14 14 VAL CA C 8 61.935 61.935 62.705 -0.770 17610 6704 1 8 . 1 1 14 14 VAL CB C 8 32.496 32.496 31.358 1.138 17610 6705 1 8 . 1 1 14 14 VAL H H 8 8.707 8.707 8.731 -0.024 17610 6706 1 8 . 1 1 15 15 VAL N N 9 121.835 121.835 117.180 4.655 17610 6707 1 8 . 1 1 15 15 VAL HA H 9 4.616 4.616 4.496 0.120 17610 6708 1 8 . 1 1 15 15 VAL C C 9 172.824 172.824 174.071 -1.247 17610 6709 1 8 . 1 1 15 15 VAL CA C 9 58.963 58.963 59.184 -0.221 17610 6710 1 8 . 1 1 15 15 VAL CB C 9 35.405 35.405 34.253 1.152 17610 6711 1 8 . 1 1 15 15 VAL H H 9 9.107 9.107 8.692 0.415 17610 6712 1 8 . 1 1 16 16 GLY N N 10 109.233 109.233 105.407 3.826 17610 6713 1 8 . 1 1 16 16 GLY C C 10 172.504 172.504 173.159 -0.655 17610 6714 1 8 . 1 1 16 16 GLY CA C 10 43.848 43.848 44.020 -0.172 17610 6715 1 8 . 1 1 16 16 GLY H H 10 7.394 7.394 7.169 0.225 17610 6716 1 8 . 1 1 17 17 ALA N N 11 123.120 123.120 123.321 -0.201 17610 6717 1 8 . 1 1 17 17 ALA HA H 11 4.547 4.547 4.553 -0.006 17610 6718 1 8 . 1 1 17 17 ALA C C 11 177.371 177.371 178.451 -1.080 17610 6719 1 8 . 1 1 17 17 ALA CA C 11 52.236 52.236 52.854 -0.618 17610 6720 1 8 . 1 1 17 17 ALA CB C 11 19.807 19.807 19.446 0.361 17610 6721 1 8 . 1 1 17 17 ALA H H 11 9.054 9.054 8.361 0.693 17610 6722 1 8 . 1 1 18 18 GLY N N 12 107.391 107.391 109.219 -1.828 17610 6723 1 8 . 1 1 18 18 GLY C C 12 176.858 176.858 175.180 1.678 17610 6724 1 8 . 1 1 18 18 GLY CA C 12 46.465 46.465 46.812 -0.347 17610 6725 1 8 . 1 1 18 18 GLY H H 12 8.694 8.694 8.914 -0.220 17610 6726 1 8 . 1 1 19 19 GLY N N 13 114.596 114.596 107.823 6.773 17610 6727 1 8 . 1 1 19 19 GLY C C 13 174.661 174.661 175.234 -0.573 17610 6728 1 8 . 1 1 19 19 GLY CA C 13 46.545 46.545 45.847 0.698 17610 6729 1 8 . 1 1 19 19 GLY H H 13 8.916 8.916 8.195 0.721 17610 6730 1 8 . 1 1 20 20 VAL N N 14 113.376 113.376 115.616 -2.240 17610 6731 1 8 . 1 1 20 20 VAL HA H 14 4.008 4.008 3.671 0.337 17610 6732 1 8 . 1 1 20 20 VAL C C 14 174.469 174.469 175.371 -0.902 17610 6733 1 8 . 1 1 20 20 VAL CA C 14 62.825 62.825 62.394 0.431 17610 6734 1 8 . 1 1 20 20 VAL CB C 14 31.740 31.740 30.538 1.202 17610 6735 1 8 . 1 1 20 20 VAL H H 14 7.427 7.427 8.405 -0.978 17610 6736 1 8 . 1 1 21 21 GLY N N 15 109.392 109.392 104.471 4.921 17610 6737 1 8 . 1 1 21 21 GLY C C 15 173.254 173.254 174.956 -1.702 17610 6738 1 8 . 1 1 21 21 GLY CA C 15 45.708 45.708 45.889 -0.181 17610 6739 1 8 . 1 1 21 21 GLY H H 15 8.388 8.388 8.254 0.134 17610 6740 1 8 . 1 1 22 22 LYS N N 16 124.844 124.844 120.372 4.472 17610 6741 1 8 . 1 1 22 22 LYS HA H 16 3.537 3.537 4.110 -0.573 17610 6742 1 8 . 1 1 22 22 LYS C C 16 179.106 179.106 177.746 1.360 17610 6743 1 8 . 1 1 22 22 LYS CA C 16 60.990 60.990 59.129 1.861 17610 6744 1 8 . 1 1 22 22 LYS CB C 16 29.967 29.967 32.806 -2.839 17610 6745 1 8 . 1 1 22 22 LYS H H 16 9.097 9.097 8.319 0.778 17610 6746 1 8 . 1 1 23 23 SER N N 17 121.228 121.228 114.285 6.943 17610 6747 1 8 . 1 1 23 23 SER HA H 17 4.292 4.292 4.353 -0.061 17610 6748 1 8 . 1 1 23 23 SER C C 17 175.697 175.697 176.138 -0.441 17610 6749 1 8 . 1 1 23 23 SER CA C 17 61.346 61.346 61.344 0.002 17610 6750 1 8 . 1 1 23 23 SER CB C 17 61.337 61.337 62.698 -1.361 17610 6751 1 8 . 1 1 23 23 SER H H 17 9.546 9.546 8.599 0.947 17610 6752 1 8 . 1 1 24 24 ALA N N 18 126.557 126.557 124.124 2.433 17610 6753 1 8 . 1 1 24 24 ALA HA H 18 3.946 3.946 3.788 0.158 17610 6754 1 8 . 1 1 24 24 ALA C C 18 181.834 181.834 178.967 2.867 17610 6755 1 8 . 1 1 24 24 ALA CA C 18 54.587 54.587 54.304 0.283 17610 6756 1 8 . 1 1 24 24 ALA CB C 18 18.539 18.539 17.723 0.816 17610 6757 1 8 . 1 1 24 24 ALA H H 18 9.189 9.189 8.303 0.886 17610 6758 1 8 . 1 1 25 25 LEU N N 19 121.712 121.712 117.608 4.104 17610 6759 1 8 . 1 1 25 25 LEU HA H 19 3.878 3.878 3.858 0.020 17610 6760 1 8 . 1 1 25 25 LEU C C 19 177.485 177.485 178.732 -1.247 17610 6761 1 8 . 1 1 25 25 LEU CA C 19 58.729 58.729 57.973 0.756 17610 6762 1 8 . 1 1 25 25 LEU CB C 19 43.227 43.227 42.052 1.175 17610 6763 1 8 . 1 1 25 25 LEU H H 19 8.817 8.817 7.605 1.212 17610 6764 1 8 . 1 1 26 26 THR N N 20 118.148 118.148 116.135 2.013 17610 6765 1 8 . 1 1 26 26 THR HA H 20 3.401 3.401 4.148 -0.747 17610 6766 1 8 . 1 1 26 26 THR C C 20 175.714 175.714 176.495 -0.781 17610 6767 1 8 . 1 1 26 26 THR CA C 20 68.122 68.122 66.740 1.382 17610 6768 1 8 . 1 1 26 26 THR CB C 20 68.196 68.196 68.768 -0.572 17610 6769 1 8 . 1 1 26 26 THR H H 20 7.517 7.517 7.400 0.117 17610 6770 1 8 . 1 1 27 27 ILE N N 21 121.987 121.987 121.634 0.353 17610 6771 1 8 . 1 1 27 27 ILE HA H 21 3.302 3.302 3.381 -0.079 17610 6772 1 8 . 1 1 27 27 ILE C C 21 175.380 175.380 177.825 -2.445 17610 6773 1 8 . 1 1 27 27 ILE CA C 21 64.278 64.278 63.586 0.692 17610 6774 1 8 . 1 1 27 27 ILE CB C 21 36.758 36.758 36.116 0.642 17610 6775 1 8 . 1 1 27 27 ILE H H 21 8.950 8.950 7.285 1.665 17610 6776 1 8 . 1 1 28 28 GLN N N 22 121.898 121.898 117.552 4.346 17610 6777 1 8 . 1 1 28 28 GLN HA H 22 4.334 4.334 3.825 0.509 17610 6778 1 8 . 1 1 28 28 GLN C C 22 179.058 179.058 178.818 0.240 17610 6779 1 8 . 1 1 28 28 GLN CA C 22 58.796 58.796 58.336 0.460 17610 6780 1 8 . 1 1 28 28 GLN CB C 22 29.752 29.752 28.230 1.522 17610 6781 1 8 . 1 1 28 28 GLN H H 22 8.094 8.094 7.483 0.611 17610 6782 1 8 . 1 1 29 29 LEU N N 23 121.426 121.426 120.405 1.021 17610 6783 1 8 . 1 1 29 29 LEU HA H 23 3.765 3.765 3.990 -0.225 17610 6784 1 8 . 1 1 29 29 LEU C C 23 178.155 178.155 178.272 -0.117 17610 6785 1 8 . 1 1 29 29 LEU CA C 23 58.304 58.304 56.440 1.864 17610 6786 1 8 . 1 1 29 29 LEU CB C 23 40.637 40.637 41.355 -0.718 17610 6787 1 8 . 1 1 29 29 LEU H H 23 7.746 7.746 6.960 0.786 17610 6788 1 8 . 1 1 30 30 ILE N N 24 115.325 115.325 117.349 -2.024 17610 6789 1 8 . 1 1 30 30 ILE HA H 24 3.697 3.697 3.570 0.127 17610 6790 1 8 . 1 1 30 30 ILE C C 24 177.421 177.421 178.643 -1.222 17610 6791 1 8 . 1 1 30 30 ILE CA C 24 62.050 62.050 64.275 -2.225 17610 6792 1 8 . 1 1 30 30 ILE CB C 24 37.183 37.183 36.826 0.357 17610 6793 1 8 . 1 1 30 30 ILE H H 24 8.115 8.115 8.222 -0.107 17610 6794 1 8 . 1 1 31 31 GLN N N 25 117.213 117.213 118.693 -1.480 17610 6795 1 8 . 1 1 31 31 GLN HA H 25 4.539 4.539 4.206 0.333 17610 6796 1 8 . 1 1 31 31 GLN C C 25 176.149 176.149 176.020 0.129 17610 6797 1 8 . 1 1 31 31 GLN CA C 25 55.234 55.234 58.269 -3.035 17610 6798 1 8 . 1 1 31 31 GLN CB C 25 30.184 30.184 29.959 0.225 17610 6799 1 8 . 1 1 31 31 GLN H H 25 8.887 8.887 7.995 0.891 17610 6800 1 8 . 1 1 32 32 ASN N N 26 117.820 117.820 113.826 3.994 17610 6801 1 8 . 1 1 32 32 ASN HA H 26 4.807 4.807 4.728 0.079 17610 6802 1 8 . 1 1 32 32 ASN C C 26 174.051 174.051 173.573 0.478 17610 6803 1 8 . 1 1 32 32 ASN CA C 26 54.310 54.310 53.518 0.792 17610 6804 1 8 . 1 1 32 32 ASN CB C 26 37.184 37.184 37.954 -0.770 17610 6805 1 8 . 1 1 32 32 ASN H H 26 7.982 7.982 8.362 -0.380 17610 6806 1 8 . 1 1 33 33 HIS N N 27 112.968 112.968 116.409 -3.441 17610 6807 1 8 . 1 1 33 33 HIS HA H 27 4.889 4.889 4.834 0.055 17610 6808 1 8 . 1 1 33 33 HIS C C 27 172.514 172.514 173.427 -0.913 17610 6809 1 8 . 1 1 33 33 HIS CA C 27 54.314 54.314 55.142 -0.827 17610 6810 1 8 . 1 1 33 33 HIS CB C 27 32.616 32.616 31.410 1.206 17610 6811 1 8 . 1 1 33 33 HIS H H 27 6.804 6.804 7.420 -0.616 17610 6812 1 8 . 1 1 34 34 PHE N N 28 123.605 123.605 120.472 3.133 17610 6813 1 8 . 1 1 34 34 PHE HA H 28 4.914 4.914 4.611 0.303 17610 6814 1 8 . 1 1 34 34 PHE C C 28 174.641 174.641 174.272 0.369 17610 6815 1 8 . 1 1 34 34 PHE CA C 28 55.754 55.754 56.465 -0.710 17610 6816 1 8 . 1 1 34 34 PHE CB C 28 40.573 40.573 39.614 0.960 17610 6817 1 8 . 1 1 34 34 PHE H H 28 8.462 8.462 8.616 -0.154 17610 6818 1 8 . 1 1 35 35 VAL N N 29 126.695 126.695 126.831 -0.136 17610 6819 1 8 . 1 1 35 35 VAL HA H 29 3.911 3.911 4.414 -0.503 17610 6820 1 8 . 1 1 35 35 VAL C C 29 173.764 173.764 175.831 -2.067 17610 6821 1 8 . 1 1 35 35 VAL CA C 29 61.275 61.275 62.264 -0.989 17610 6822 1 8 . 1 1 35 35 VAL CB C 29 33.154 33.154 33.962 -0.807 17610 6823 1 8 . 1 1 35 35 VAL H H 29 7.537 7.537 8.067 -0.530 17610 6824 1 8 . 1 1 36 36 ASP N N 30 123.271 123.271 125.584 -2.313 17610 6825 1 8 . 1 1 36 36 ASP HA H 30 4.185 4.185 4.726 -0.541 17610 6826 1 8 . 1 1 36 36 ASP C C 30 176.129 176.129 175.629 0.500 17610 6827 1 8 . 1 1 36 36 ASP CA C 30 54.662 54.662 55.893 -1.231 17610 6828 1 8 . 1 1 36 36 ASP CB C 30 41.323 41.323 41.885 -0.562 17610 6829 1 8 . 1 1 36 36 ASP H H 30 7.618 7.618 8.747 -1.129 17610 6830 1 8 . 1 1 37 37 GLU N N 31 119.730 119.730 117.763 1.967 17610 6831 1 8 . 1 1 37 37 GLU HA H 31 4.262 4.262 4.535 -0.273 17610 6832 1 8 . 1 1 37 37 GLU C C 31 174.901 174.901 174.915 -0.014 17610 6833 1 8 . 1 1 37 37 GLU CA C 31 56.137 56.137 56.470 -0.333 17610 6834 1 8 . 1 1 37 37 GLU CB C 31 30.459 30.459 28.463 1.996 17610 6835 1 8 . 1 1 37 37 GLU H H 31 7.857 7.857 8.081 -0.224 17610 6836 1 8 . 1 1 38 38 TYR N N 32 123.296 123.296 120.865 2.431 17610 6837 1 8 . 1 1 38 38 TYR HA H 32 4.486 4.486 4.954 -0.468 17610 6838 1 8 . 1 1 38 38 TYR C C 32 174.370 174.370 173.844 0.526 17610 6839 1 8 . 1 1 38 38 TYR CA C 32 57.511 57.511 57.491 0.020 17610 6840 1 8 . 1 1 38 38 TYR CB C 32 39.199 39.199 40.676 -1.478 17610 6841 1 8 . 1 1 38 38 TYR H H 32 8.244 8.244 8.041 0.203 17610 6842 1 8 . 1 1 39 39 ASP N N 33 127.452 127.452 122.483 4.969 17610 6843 1 8 . 1 1 39 39 ASP HA H 33 4.891 4.891 4.631 0.260 17610 6844 1 8 . 1 1 39 39 ASP CA C 33 51.207 51.207 51.484 -0.277 17610 6845 1 8 . 1 1 39 39 ASP CB C 33 41.837 41.837 42.368 -0.531 17610 6846 1 8 . 1 1 39 39 ASP H H 33 8.158 8.158 8.334 -0.176 17610 6847 1 8 . 1 1 40 40 PRO HA H 34 4.405 4.405 4.431 -0.026 17610 6848 1 8 . 1 1 40 40 PRO C C 34 176.938 176.938 177.209 -0.271 17610 6849 1 8 . 1 1 40 40 PRO CA C 34 63.068 63.068 63.822 -0.754 17610 6850 1 8 . 1 1 40 40 PRO CB C 34 32.089 32.089 32.485 -0.396 17610 6851 1 8 . 1 1 41 41 SER N N 35 117.575 117.575 112.017 5.558 17610 6852 1 8 . 1 1 41 41 SER HA H 35 4.433 4.433 4.482 -0.049 17610 6853 1 8 . 1 1 41 41 SER C C 35 174.777 174.777 172.624 2.153 17610 6854 1 8 . 1 1 41 41 SER CA C 35 58.346 58.346 58.276 0.070 17610 6855 1 8 . 1 1 41 41 SER CB C 35 63.704 63.704 62.864 0.840 17610 6856 1 8 . 1 1 41 41 SER H H 35 8.495 8.495 7.879 0.616 17610 6857 1 8 . 1 1 42 42 ILE N N 36 123.018 123.018 120.060 2.958 17610 6858 1 8 . 1 1 42 42 ILE HA H 36 4.219 4.219 4.473 -0.254 17610 6859 1 8 . 1 1 42 42 ILE C C 36 175.966 175.966 175.040 0.926 17610 6860 1 8 . 1 1 42 42 ILE CA C 36 61.665 61.665 59.416 2.249 17610 6861 1 8 . 1 1 42 42 ILE CB C 36 38.745 38.745 39.851 -1.106 17610 6862 1 8 . 1 1 42 42 ILE H H 36 7.919 7.919 7.975 -0.056 17610 6863 1 8 . 1 1 43 43 GLU N N 37 124.699 124.699 120.935 3.764 17610 6864 1 8 . 1 1 43 43 GLU HA H 37 4.381 4.381 4.256 0.125 17610 6865 1 8 . 1 1 43 43 GLU C C 37 179.069 179.069 175.403 3.666 17610 6866 1 8 . 1 1 43 43 GLU CA C 37 56.223 56.223 55.508 0.715 17610 6867 1 8 . 1 1 43 43 GLU CB C 37 30.616 30.616 27.972 2.644 17610 6868 1 8 . 1 1 43 43 GLU H H 37 8.201 8.201 8.501 -0.300 17610 6869 1 8 . 1 1 44 44 ASP N N 38 121.902 121.902 117.508 4.394 17610 6870 1 8 . 1 1 44 44 ASP HA H 38 4.622 4.622 4.030 0.592 17610 6871 1 8 . 1 1 44 44 ASP C C 38 174.634 174.634 174.725 -0.091 17610 6872 1 8 . 1 1 44 44 ASP CA C 38 54.095 54.095 55.448 -1.353 17610 6873 1 8 . 1 1 44 44 ASP CB C 38 41.837 41.837 39.902 1.935 17610 6874 1 8 . 1 1 44 44 ASP H H 38 8.094 8.094 7.907 0.187 17610 6875 1 8 . 1 1 45 45 SER N N 39 114.779 114.779 111.508 3.271 17610 6876 1 8 . 1 1 45 45 SER HA H 39 4.923 4.923 4.209 0.714 17610 6877 1 8 . 1 1 45 45 SER C C 39 173.339 173.339 172.553 0.786 17610 6878 1 8 . 1 1 45 45 SER CA C 39 57.023 57.023 57.248 -0.225 17610 6879 1 8 . 1 1 45 45 SER CB C 39 64.751 64.751 65.534 -0.783 17610 6880 1 8 . 1 1 45 45 SER H H 39 7.792 7.792 7.103 0.689 17610 6881 1 8 . 1 1 46 46 TYR N N 40 124.235 124.235 119.683 4.552 17610 6882 1 8 . 1 1 46 46 TYR HA H 40 4.662 4.662 4.715 -0.053 17610 6883 1 8 . 1 1 46 46 TYR C C 40 173.910 173.910 172.959 0.951 17610 6884 1 8 . 1 1 46 46 TYR CA C 40 56.944 56.944 57.530 -0.586 17610 6885 1 8 . 1 1 46 46 TYR CB C 40 41.323 41.323 41.028 0.295 17610 6886 1 8 . 1 1 46 46 TYR H H 40 8.976 8.976 9.109 -0.133 17610 6887 1 8 . 1 1 47 47 ARG N N 41 121.906 121.906 117.977 3.929 17610 6888 1 8 . 1 1 47 47 ARG HA H 41 5.802 5.802 5.227 0.575 17610 6889 1 8 . 1 1 47 47 ARG C C 41 176.150 176.150 174.600 1.550 17610 6890 1 8 . 1 1 47 47 ARG CA C 41 54.129 54.129 54.417 -0.288 17610 6891 1 8 . 1 1 47 47 ARG CB C 41 34.105 34.105 34.547 -0.442 17610 6892 1 8 . 1 1 47 47 ARG H H 41 8.238 8.238 8.591 -0.353 17610 6893 1 8 . 1 1 48 48 LYS N N 42 123.924 123.924 119.912 4.012 17610 6894 1 8 . 1 1 48 48 LYS HA H 42 4.508 4.508 4.474 0.034 17610 6895 1 8 . 1 1 48 48 LYS C C 42 173.710 173.710 174.024 -0.314 17610 6896 1 8 . 1 1 48 48 LYS CA C 42 55.651 55.651 55.749 -0.098 17610 6897 1 8 . 1 1 48 48 LYS CB C 42 38.139 38.139 36.780 1.359 17610 6898 1 8 . 1 1 48 48 LYS H H 42 8.705 8.705 8.767 -0.062 17610 6899 1 8 . 1 1 49 49 GLN N N 43 130.301 130.301 125.446 4.855 17610 6900 1 8 . 1 1 49 49 GLN HA H 43 5.230 5.230 4.570 0.660 17610 6901 1 8 . 1 1 49 49 GLN C C 43 175.254 175.254 175.002 0.252 17610 6902 1 8 . 1 1 49 49 GLN CA C 43 55.496 55.496 55.569 -0.073 17610 6903 1 8 . 1 1 49 49 GLN CB C 43 29.892 29.892 29.706 0.186 17610 6904 1 8 . 1 1 49 49 GLN H H 43 8.897 8.897 8.571 0.326 17610 6905 1 8 . 1 1 50 50 VAL N N 44 122.354 122.354 121.292 1.062 17610 6906 1 8 . 1 1 50 50 VAL HA H 44 4.772 4.772 4.693 0.079 17610 6907 1 8 . 1 1 50 50 VAL C C 44 173.116 173.116 173.389 -0.273 17610 6908 1 8 . 1 1 50 50 VAL CA C 44 59.238 59.238 59.212 0.026 17610 6909 1 8 . 1 1 50 50 VAL CB C 44 35.888 35.888 35.627 0.261 17610 6910 1 8 . 1 1 50 50 VAL H H 44 9.104 9.104 8.555 0.549 17610 6911 1 8 . 1 1 51 51 VAL N N 45 122.385 122.385 120.328 2.057 17610 6912 1 8 . 1 1 51 51 VAL HA H 45 4.462 4.462 4.505 -0.043 17610 6913 1 8 . 1 1 51 51 VAL C C 45 175.450 175.450 175.602 -0.152 17610 6914 1 8 . 1 1 51 51 VAL CA C 45 61.832 61.832 61.149 0.683 17610 6915 1 8 . 1 1 51 51 VAL CB C 45 32.228 32.228 31.649 0.579 17610 6916 1 8 . 1 1 51 51 VAL H H 45 8.100 8.100 8.405 -0.305 17610 6917 1 8 . 1 1 52 52 ILE N N 46 126.953 126.953 129.234 -2.281 17610 6918 1 8 . 1 1 52 52 ILE HA H 46 3.995 3.995 3.967 0.028 17610 6919 1 8 . 1 1 52 52 ILE C C 46 176.424 176.424 176.439 -0.015 17610 6920 1 8 . 1 1 52 52 ILE CA C 46 60.343 60.343 60.108 0.235 17610 6921 1 8 . 1 1 52 52 ILE CB C 46 40.096 40.096 36.245 3.851 17610 6922 1 8 . 1 1 52 52 ILE H H 46 8.118 8.118 8.733 -0.615 17610 6923 1 8 . 1 1 53 53 ASP N N 47 132.206 132.206 129.622 2.584 17610 6924 1 8 . 1 1 53 53 ASP HA H 47 4.267 4.267 4.272 -0.005 17610 6925 1 8 . 1 1 53 53 ASP C C 47 176.121 176.121 176.344 -0.223 17610 6926 1 8 . 1 1 53 53 ASP CA C 47 55.267 55.267 54.745 0.522 17610 6927 1 8 . 1 1 53 53 ASP CB C 47 39.203 39.203 39.872 -0.669 17610 6928 1 8 . 1 1 53 53 ASP H H 47 9.605 9.605 9.035 0.570 17610 6929 1 8 . 1 1 54 54 GLY N N 48 104.275 104.275 103.958 0.317 17610 6930 1 8 . 1 1 54 54 GLY C C 48 173.219 173.219 173.752 -0.533 17610 6931 1 8 . 1 1 54 54 GLY CA C 48 45.318 45.318 45.058 0.260 17610 6932 1 8 . 1 1 54 54 GLY H H 48 8.332 8.332 8.152 0.180 17610 6933 1 8 . 1 1 55 55 GLU N N 49 123.384 123.384 122.083 1.301 17610 6934 1 8 . 1 1 55 55 GLU HA H 49 4.691 4.691 4.549 0.142 17610 6935 1 8 . 1 1 55 55 GLU C C 49 175.614 175.614 175.664 -0.050 17610 6936 1 8 . 1 1 55 55 GLU CA C 49 54.719 54.719 54.380 0.339 17610 6937 1 8 . 1 1 55 55 GLU CB C 49 31.803 31.803 30.703 1.100 17610 6938 1 8 . 1 1 55 55 GLU H H 49 7.684 7.684 7.810 -0.126 17610 6939 1 8 . 1 1 56 56 THR N N 50 127.153 127.153 124.185 2.968 17610 6940 1 8 . 1 1 56 56 THR HA H 50 4.727 4.727 4.636 0.091 17610 6941 1 8 . 1 1 56 56 THR C C 50 173.530 173.530 173.968 -0.438 17610 6942 1 8 . 1 1 56 56 THR CA C 50 63.521 63.521 64.294 -0.773 17610 6943 1 8 . 1 1 56 56 THR CB C 50 68.478 68.478 69.077 -0.599 17610 6944 1 8 . 1 1 56 56 THR H H 50 8.951 8.951 8.633 0.318 17610 6945 1 8 . 1 1 57 57 CYS N N 51 124.835 124.835 123.778 1.057 17610 6946 1 8 . 1 1 57 57 CYS HA H 51 5.086 5.086 4.778 0.308 17610 6947 1 8 . 1 1 57 57 CYS C C 51 170.937 170.937 172.865 -1.928 17610 6948 1 8 . 1 1 57 57 CYS CA C 51 56.423 56.423 57.834 -1.411 17610 6949 1 8 . 1 1 57 57 CYS CB C 51 31.549 31.549 31.705 -0.156 17610 6950 1 8 . 1 1 57 57 CYS H H 51 9.424 9.424 8.934 0.490 17610 6951 1 8 . 1 1 58 58 LEU N N 52 123.111 123.111 122.573 0.538 17610 6952 1 8 . 1 1 58 58 LEU HA H 52 4.943 4.943 4.491 0.452 17610 6953 1 8 . 1 1 58 58 LEU C C 52 175.044 175.044 175.489 -0.445 17610 6954 1 8 . 1 1 58 58 LEU CA C 52 53.372 53.372 54.492 -1.120 17610 6955 1 8 . 1 1 58 58 LEU CB C 52 44.304 44.304 43.078 1.226 17610 6956 1 8 . 1 1 58 58 LEU H H 52 8.803 8.803 8.980 -0.177 17610 6957 1 8 . 1 1 59 59 LEU N N 53 124.540 124.540 125.318 -0.778 17610 6958 1 8 . 1 1 59 59 LEU HA H 53 4.888 4.888 4.712 0.176 17610 6959 1 8 . 1 1 59 59 LEU C C 53 174.358 174.358 175.529 -1.171 17610 6960 1 8 . 1 1 59 59 LEU CA C 53 53.490 53.490 53.947 -0.457 17610 6961 1 8 . 1 1 59 59 LEU CB C 53 42.195 42.195 42.864 -0.668 17610 6962 1 8 . 1 1 59 59 LEU H H 53 9.054 9.054 9.188 -0.134 17610 6963 1 8 . 1 1 60 60 ASP N N 54 126.666 126.666 126.289 0.377 17610 6964 1 8 . 1 1 60 60 ASP HA H 54 5.225 5.225 4.981 0.244 17610 6965 1 8 . 1 1 60 60 ASP C C 54 174.846 174.846 175.094 -0.248 17610 6966 1 8 . 1 1 60 60 ASP CA C 54 53.040 53.040 53.929 -0.889 17610 6967 1 8 . 1 1 60 60 ASP CB C 54 42.622 42.622 40.846 1.776 17610 6968 1 8 . 1 1 60 60 ASP H H 54 8.739 8.739 8.768 -0.029 17610 6969 1 8 . 1 1 61 61 ILE N N 55 125.100 125.100 124.104 0.996 17610 6970 1 8 . 1 1 61 61 ILE HA H 55 4.690 4.690 4.110 0.580 17610 6971 1 8 . 1 1 61 61 ILE C C 55 174.745 174.745 174.630 0.115 17610 6972 1 8 . 1 1 61 61 ILE CA C 55 60.331 60.331 59.423 0.908 17610 6973 1 8 . 1 1 61 61 ILE CB C 55 39.682 39.682 37.030 2.652 17610 6974 1 8 . 1 1 61 61 ILE H H 55 9.115 9.115 8.181 0.934 17610 6975 1 8 . 1 1 62 62 LEU N N 56 131.208 131.208 129.577 1.631 17610 6976 1 8 . 1 1 62 62 LEU HA H 56 4.667 4.667 4.526 0.141 17610 6977 1 8 . 1 1 62 62 LEU C C 56 174.063 174.063 173.893 0.170 17610 6978 1 8 . 1 1 62 62 LEU CA C 56 53.795 53.795 53.749 0.046 17610 6979 1 8 . 1 1 62 62 LEU CB C 56 42.256 42.256 44.413 -2.157 17610 6980 1 8 . 1 1 62 62 LEU H H 56 9.014 9.014 9.157 -0.143 17610 6981 1 8 . 1 1 63 63 ASP N N 57 128.415 128.415 127.011 1.404 17610 6982 1 8 . 1 1 63 63 ASP HA H 57 4.783 4.783 4.894 -0.111 17610 6983 1 8 . 1 1 63 63 ASP C C 57 176.341 176.341 175.716 0.625 17610 6984 1 8 . 1 1 63 63 ASP CA C 57 52.988 52.988 51.933 1.055 17610 6985 1 8 . 1 1 63 63 ASP CB C 57 41.837 41.837 42.586 -0.749 17610 6986 1 8 . 1 1 63 63 ASP H H 57 8.657 8.657 7.870 0.787 17610 6987 1 8 . 1 1 64 64 THR N N 58 114.950 114.950 117.011 -2.061 17610 6988 1 8 . 1 1 64 64 THR HA H 58 4.425 4.425 4.211 0.214 17610 6989 1 8 . 1 1 64 64 THR C C 58 172.734 172.734 174.483 -1.749 17610 6990 1 8 . 1 1 64 64 THR CA C 58 61.488 61.488 61.214 0.274 17610 6991 1 8 . 1 1 64 64 THR CB C 58 71.398 71.398 70.343 1.056 17610 6992 1 8 . 1 1 64 64 THR H H 58 7.369 7.369 7.850 -0.481 17610 6993 1 8 . 1 1 65 65 ALA N N 59 123.940 123.940 121.114 2.826 17610 6994 1 8 . 1 1 65 65 ALA HA H 59 4.764 4.764 4.173 0.591 17610 6995 1 8 . 1 1 65 65 ALA C C 59 179.480 179.480 177.417 2.063 17610 6996 1 8 . 1 1 65 65 ALA CA C 59 51.422 51.422 53.120 -1.698 17610 6997 1 8 . 1 1 65 65 ALA CB C 59 20.796 20.796 19.463 1.333 17610 6998 1 8 . 1 1 65 65 ALA H H 59 8.329 8.329 8.494 -0.165 17610 6999 1 8 . 1 1 66 66 GLY N N 60 112.527 112.527 104.802 7.725 17610 7000 1 8 . 1 1 66 66 GLY C C 60 174.938 174.938 174.850 0.088 17610 7001 1 8 . 1 1 66 66 GLY CA C 60 46.057 46.057 45.563 0.494 17610 7002 1 8 . 1 1 66 66 GLY H H 60 9.397 9.397 8.405 0.992 17610 7003 1 8 . 1 1 67 67 GLN N N 61 120.877 120.877 120.023 0.854 17610 7004 1 8 . 1 1 67 67 GLN HA H 61 4.422 4.422 4.675 -0.253 17610 7005 1 8 . 1 1 67 67 GLN C C 61 176.298 176.298 174.928 1.370 17610 7006 1 8 . 1 1 67 67 GLN CA C 61 56.355 56.355 55.528 0.827 17610 7007 1 8 . 1 1 67 67 GLN CB C 61 29.438 29.438 28.063 1.375 17610 7008 1 8 . 1 1 67 67 GLN H H 61 8.237 8.237 8.273 -0.036 17610 7009 1 8 . 1 1 68 68 GLU N N 62 123.751 123.751 121.690 2.061 17610 7010 1 8 . 1 1 68 68 GLU HA H 62 4.208 4.208 4.479 -0.271 17610 7011 1 8 . 1 1 68 68 GLU C C 62 177.032 177.032 174.942 2.090 17610 7012 1 8 . 1 1 68 68 GLU CA C 62 57.801 57.801 56.294 1.507 17610 7013 1 8 . 1 1 68 68 GLU CB C 62 29.834 29.834 32.033 -2.199 17610 7014 1 8 . 1 1 68 68 GLU H H 62 8.738 8.738 8.360 0.378 17610 7015 1 8 . 1 1 69 69 GLU N N 63 121.861 121.861 120.259 1.602 17610 7016 1 8 . 1 1 69 69 GLU HA H 63 4.228 4.228 4.564 -0.336 17610 7017 1 8 . 1 1 69 69 GLU C C 63 176.145 176.145 175.713 0.432 17610 7018 1 8 . 1 1 69 69 GLU CA C 63 57.026 57.026 55.859 1.167 17610 7019 1 8 . 1 1 69 69 GLU CB C 63 30.231 30.231 29.666 0.565 17610 7020 1 8 . 1 1 69 69 GLU H H 63 8.607 8.607 8.456 0.151 17610 7021 1 8 . 1 1 70 70 TYR N N 64 121.801 121.801 122.245 -0.444 17610 7022 1 8 . 1 1 70 70 TYR HA H 64 4.587 4.587 4.648 -0.061 17610 7023 1 8 . 1 1 70 70 TYR C C 64 175.965 175.965 175.576 0.389 17610 7024 1 8 . 1 1 70 70 TYR CA C 64 58.160 58.160 55.815 2.345 17610 7025 1 8 . 1 1 70 70 TYR CB C 64 38.288 38.288 37.512 0.776 17610 7026 1 8 . 1 1 70 70 TYR H H 64 8.225 8.225 8.265 -0.040 17610 7027 1 8 . 1 1 71 71 SER N N 65 120.137 120.137 120.110 0.027 17610 7028 1 8 . 1 1 71 71 SER HA H 65 4.269 4.269 4.283 -0.014 17610 7029 1 8 . 1 1 71 71 SER C C 65 174.912 174.912 175.569 -0.657 17610 7030 1 8 . 1 1 71 71 SER CA C 65 58.755 58.755 59.301 -0.546 17610 7031 1 8 . 1 1 71 71 SER CB C 65 63.755 63.755 63.210 0.545 17610 7032 1 8 . 1 1 71 71 SER H H 65 7.884 7.884 8.362 -0.478 17610 7033 1 8 . 1 1 72 72 ALA N N 66 127.848 127.848 124.619 3.229 17610 7034 1 8 . 1 1 72 72 ALA HA H 66 4.193 4.193 4.093 0.100 17610 7035 1 8 . 1 1 72 72 ALA C C 66 179.820 179.820 179.914 -0.094 17610 7036 1 8 . 1 1 72 72 ALA CA C 66 54.595 54.595 55.163 -0.568 17610 7037 1 8 . 1 1 72 72 ALA CB C 66 18.264 18.264 18.159 0.105 17610 7038 1 8 . 1 1 72 72 ALA H H 66 8.706 8.706 8.545 0.161 17610 7039 1 8 . 1 1 73 73 MET N N 67 118.448 118.448 115.179 3.269 17610 7040 1 8 . 1 1 73 73 MET HA H 67 4.271 4.271 4.121 0.150 17610 7041 1 8 . 1 1 73 73 MET C C 67 177.098 177.098 177.765 -0.667 17610 7042 1 8 . 1 1 73 73 MET CA C 67 56.915 56.915 57.870 -0.955 17610 7043 1 8 . 1 1 73 73 MET CB C 67 32.031 32.031 31.488 0.543 17610 7044 1 8 . 1 1 73 73 MET H H 67 8.007 8.007 8.020 -0.013 17610 7045 1 8 . 1 1 74 74 ARG N N 68 121.351 121.351 119.458 1.893 17610 7046 1 8 . 1 1 74 74 ARG HA H 68 3.793 3.793 4.117 -0.324 17610 7047 1 8 . 1 1 74 74 ARG C C 68 177.730 177.730 178.372 -0.642 17610 7048 1 8 . 1 1 74 74 ARG CA C 68 59.093 59.093 59.346 -0.253 17610 7049 1 8 . 1 1 74 74 ARG CB C 68 30.118 30.118 29.945 0.173 17610 7050 1 8 . 1 1 74 74 ARG H H 68 7.761 7.761 7.922 -0.161 17610 7051 1 8 . 1 1 75 75 ASP N N 69 119.938 119.938 117.838 2.100 17610 7052 1 8 . 1 1 75 75 ASP HA H 69 4.286 4.286 4.588 -0.302 17610 7053 1 8 . 1 1 75 75 ASP C C 69 177.998 177.998 177.846 0.152 17610 7054 1 8 . 1 1 75 75 ASP CA C 69 57.555 57.555 56.963 0.592 17610 7055 1 8 . 1 1 75 75 ASP CB C 69 40.401 40.401 41.076 -0.675 17610 7056 1 8 . 1 1 75 75 ASP H H 69 8.077 8.077 7.731 0.346 17610 7057 1 8 . 1 1 76 76 GLN N N 70 119.151 119.151 119.826 -0.675 17610 7058 1 8 . 1 1 76 76 GLN HA H 70 4.050 4.050 4.034 0.016 17610 7059 1 8 . 1 1 76 76 GLN C C 70 178.837 178.837 178.113 0.724 17610 7060 1 8 . 1 1 76 76 GLN CA C 70 58.920 58.920 58.467 0.453 17610 7061 1 8 . 1 1 76 76 GLN CB C 70 28.063 28.063 28.581 -0.518 17610 7062 1 8 . 1 1 76 76 GLN H H 70 7.789 7.789 7.661 0.128 17610 7063 1 8 . 1 1 77 77 TYR N N 71 119.847 119.847 120.192 -0.345 17610 7064 1 8 . 1 1 77 77 TYR HA H 71 4.548 4.548 4.463 0.085 17610 7065 1 8 . 1 1 77 77 TYR C C 71 178.680 178.680 178.548 0.132 17610 7066 1 8 . 1 1 77 77 TYR CA C 71 58.785 58.785 59.682 -0.897 17610 7067 1 8 . 1 1 77 77 TYR CB C 71 36.986 36.986 38.098 -1.112 17610 7068 1 8 . 1 1 77 77 TYR H H 71 8.131 8.131 7.720 0.411 17610 7069 1 8 . 1 1 78 78 MET N N 72 119.987 119.987 117.487 2.500 17610 7070 1 8 . 1 1 78 78 MET HA H 72 4.402 4.402 4.410 -0.008 17610 7071 1 8 . 1 1 78 78 MET C C 72 177.008 177.008 178.955 -1.947 17610 7072 1 8 . 1 1 78 78 MET CA C 72 59.028 59.028 59.750 -0.722 17610 7073 1 8 . 1 1 78 78 MET CB C 72 32.709 32.709 32.398 0.311 17610 7074 1 8 . 1 1 78 78 MET H H 72 8.380 8.380 7.926 0.454 17610 7075 1 8 . 1 1 79 79 ARG N N 73 117.792 117.792 115.665 2.127 17610 7076 1 8 . 1 1 79 79 ARG HA H 73 3.914 3.914 4.171 -0.257 17610 7077 1 8 . 1 1 79 79 ARG C C 73 178.169 178.169 177.773 0.396 17610 7078 1 8 . 1 1 79 79 ARG CA C 73 59.493 59.493 58.865 0.628 17610 7079 1 8 . 1 1 79 79 ARG CB C 73 30.100 30.100 30.353 -0.253 17610 7080 1 8 . 1 1 79 79 ARG H H 73 7.992 7.992 7.741 0.251 17610 7081 1 8 . 1 1 80 80 THR N N 74 110.012 110.012 108.878 1.134 17610 7082 1 8 . 1 1 80 80 THR HA H 74 4.242 4.242 4.405 -0.163 17610 7083 1 8 . 1 1 80 80 THR C C 74 175.640 175.640 175.420 0.220 17610 7084 1 8 . 1 1 80 80 THR CA C 74 62.863 62.863 62.265 0.598 17610 7085 1 8 . 1 1 80 80 THR CB C 74 69.808 69.808 70.176 -0.368 17610 7086 1 8 . 1 1 80 80 THR H H 74 7.718 7.718 7.618 0.100 17610 7087 1 8 . 1 1 81 81 GLY N N 75 109.297 109.297 109.827 -0.530 17610 7088 1 8 . 1 1 81 81 GLY C C 75 172.419 172.419 173.719 -1.300 17610 7089 1 8 . 1 1 81 81 GLY CA C 75 46.504 46.504 44.429 2.075 17610 7090 1 8 . 1 1 81 81 GLY H H 75 7.852 7.852 7.750 0.102 17610 7091 1 8 . 1 1 82 82 GLU N N 76 122.399 122.399 122.953 -0.554 17610 7092 1 8 . 1 1 82 82 GLU HA H 76 4.523 4.523 4.083 0.440 17610 7093 1 8 . 1 1 82 82 GLU C C 76 176.409 176.409 175.983 0.426 17610 7094 1 8 . 1 1 82 82 GLU CA C 76 56.469 56.469 58.327 -1.858 17610 7095 1 8 . 1 1 82 82 GLU CB C 76 32.049 32.049 30.521 1.528 17610 7096 1 8 . 1 1 82 82 GLU H H 76 8.879 8.879 8.221 0.658 17610 7097 1 8 . 1 1 83 83 GLY N N 77 102.282 102.282 103.641 -1.359 17610 7098 1 8 . 1 1 83 83 GLY C C 77 170.803 170.803 171.799 -0.996 17610 7099 1 8 . 1 1 83 83 GLY CA C 77 45.453 45.453 44.791 0.662 17610 7100 1 8 . 1 1 83 83 GLY H H 77 7.192 7.192 7.115 0.077 17610 7101 1 8 . 1 1 84 84 PHE N N 78 122.648 122.648 116.811 5.837 17610 7102 1 8 . 1 1 84 84 PHE HA H 78 5.448 5.448 5.272 0.176 17610 7103 1 8 . 1 1 84 84 PHE C C 78 173.734 173.734 173.880 -0.146 17610 7104 1 8 . 1 1 84 84 PHE CA C 78 57.065 57.065 57.185 -0.120 17610 7105 1 8 . 1 1 84 84 PHE CB C 78 42.997 42.997 44.027 -1.030 17610 7106 1 8 . 1 1 84 84 PHE H H 78 8.224 8.224 8.101 0.123 17610 7107 1 8 . 1 1 85 85 LEU N N 79 127.298 127.298 123.587 3.711 17610 7108 1 8 . 1 1 85 85 LEU HA H 79 4.690 4.690 5.147 -0.457 17610 7109 1 8 . 1 1 85 85 LEU C C 79 174.690 174.690 175.121 -0.431 17610 7110 1 8 . 1 1 85 85 LEU CA C 79 53.981 53.981 53.639 0.342 17610 7111 1 8 . 1 1 85 85 LEU CB C 79 43.058 43.058 45.345 -2.287 17610 7112 1 8 . 1 1 85 85 LEU H H 79 9.189 9.189 8.525 0.664 17610 7113 1 8 . 1 1 86 86 CYS N N 80 125.581 125.581 126.714 -1.133 17610 7114 1 8 . 1 1 86 86 CYS HA H 80 4.689 4.689 4.643 0.047 17610 7115 1 8 . 1 1 86 86 CYS C C 80 172.664 172.664 173.529 -0.865 17610 7116 1 8 . 1 1 86 86 CYS CA C 80 57.767 57.767 58.424 -0.657 17610 7117 1 8 . 1 1 86 86 CYS CB C 80 27.397 27.397 27.556 -0.159 17610 7118 1 8 . 1 1 86 86 CYS H H 80 8.720 8.720 9.312 -0.592 17610 7119 1 8 . 1 1 87 87 VAL N N 81 127.252 127.252 125.561 1.691 17610 7120 1 8 . 1 1 87 87 VAL HA H 81 4.983 4.983 4.646 0.337 17610 7121 1 8 . 1 1 87 87 VAL C C 81 175.119 175.119 174.823 0.296 17610 7122 1 8 . 1 1 87 87 VAL CA C 81 61.275 61.275 61.524 -0.249 17610 7123 1 8 . 1 1 87 87 VAL CB C 81 33.407 33.407 33.089 0.318 17610 7124 1 8 . 1 1 87 87 VAL H H 81 9.028 9.028 8.019 1.009 17610 7125 1 8 . 1 1 88 88 PHE N N 82 125.157 125.157 123.869 1.288 17610 7126 1 8 . 1 1 88 88 PHE HA H 82 4.992 4.992 5.189 -0.197 17610 7127 1 8 . 1 1 88 88 PHE C C 82 171.162 171.162 172.874 -1.712 17610 7128 1 8 . 1 1 88 88 PHE CA C 82 55.349 55.349 55.726 -0.377 17610 7129 1 8 . 1 1 88 88 PHE CB C 82 40.430 40.430 42.158 -1.728 17610 7130 1 8 . 1 1 88 88 PHE H H 82 9.306 9.306 8.513 0.793 17610 7131 1 8 . 1 1 89 89 ALA N N 83 122.321 122.321 123.620 -1.299 17610 7132 1 8 . 1 1 89 89 ALA HA H 83 5.082 5.082 4.919 0.163 17610 7133 1 8 . 1 1 89 89 ALA C C 83 179.267 179.267 179.056 0.211 17610 7134 1 8 . 1 1 89 89 ALA CA C 83 49.635 49.635 49.694 -0.059 17610 7135 1 8 . 1 1 89 89 ALA CB C 83 21.739 21.739 19.836 1.903 17610 7136 1 8 . 1 1 89 89 ALA H H 83 8.692 8.692 8.542 0.150 17610 7137 1 8 . 1 1 90 90 ILE N N 84 114.459 114.459 121.088 -6.629 17610 7138 1 8 . 1 1 90 90 ILE HA H 84 4.054 4.054 3.866 0.188 17610 7139 1 8 . 1 1 90 90 ILE C C 84 174.164 174.164 176.681 -2.517 17610 7140 1 8 . 1 1 90 90 ILE CA C 84 63.169 63.169 64.868 -1.699 17610 7141 1 8 . 1 1 90 90 ILE CB C 84 38.174 38.174 37.382 0.792 17610 7142 1 8 . 1 1 90 90 ILE H H 84 8.461 8.461 7.757 0.704 17610 7143 1 8 . 1 1 91 91 ASN N N 85 118.240 118.240 117.990 0.250 17610 7144 1 8 . 1 1 91 91 ASN HA H 85 5.049 5.049 4.634 0.415 17610 7145 1 8 . 1 1 91 91 ASN C C 85 174.583 174.583 174.867 -0.284 17610 7146 1 8 . 1 1 91 91 ASN CA C 85 52.161 52.161 54.678 -2.517 17610 7147 1 8 . 1 1 91 91 ASN CB C 85 38.132 38.132 38.299 -0.167 17610 7148 1 8 . 1 1 91 91 ASN H H 85 7.906 7.906 8.672 -0.766 17610 7149 1 8 . 1 1 92 92 ASN N N 86 120.345 120.345 119.024 1.321 17610 7150 1 8 . 1 1 92 92 ASN HA H 86 5.080 5.080 5.056 0.024 17610 7151 1 8 . 1 1 92 92 ASN C C 86 175.090 175.090 175.531 -0.441 17610 7152 1 8 . 1 1 92 92 ASN CA C 86 52.041 52.041 52.421 -0.380 17610 7153 1 8 . 1 1 92 92 ASN CB C 86 39.203 39.203 39.807 -0.604 17610 7154 1 8 . 1 1 92 92 ASN H H 86 7.931 7.931 7.920 0.011 17610 7155 1 8 . 1 1 93 93 THR N N 87 125.665 125.665 120.232 5.433 17610 7156 1 8 . 1 1 93 93 THR HA H 87 3.772 3.772 4.104 -0.332 17610 7157 1 8 . 1 1 93 93 THR C C 87 176.012 176.012 176.086 -0.074 17610 7158 1 8 . 1 1 93 93 THR CA C 87 66.753 66.753 66.265 0.488 17610 7159 1 8 . 1 1 93 93 THR CB C 87 68.400 68.400 69.070 -0.670 17610 7160 1 8 . 1 1 93 93 THR H H 87 9.272 9.272 8.298 0.974 17610 7161 1 8 . 1 1 94 94 LYS N N 88 125.404 125.404 121.213 4.191 17610 7162 1 8 . 1 1 94 94 LYS HA H 88 4.186 4.186 4.106 0.080 17610 7163 1 8 . 1 1 94 94 LYS C C 88 178.027 178.027 178.219 -0.192 17610 7164 1 8 . 1 1 94 94 LYS CA C 88 59.359 59.359 59.025 0.334 17610 7165 1 8 . 1 1 94 94 LYS CB C 88 31.292 31.292 31.904 -0.612 17610 7166 1 8 . 1 1 94 94 LYS H H 88 8.456 8.456 8.170 0.286 17610 7167 1 8 . 1 1 95 95 SER N N 89 115.491 115.491 115.947 -0.456 17610 7168 1 8 . 1 1 95 95 SER HA H 89 4.188 4.188 4.617 -0.429 17610 7169 1 8 . 1 1 95 95 SER C C 89 175.751 175.751 176.617 -0.866 17610 7170 1 8 . 1 1 95 95 SER CA C 89 61.751 61.751 61.545 0.206 17610 7171 1 8 . 1 1 95 95 SER CB C 89 63.530 63.530 63.021 0.509 17610 7172 1 8 . 1 1 95 95 SER H H 89 7.970 7.970 7.766 0.204 17610 7173 1 8 . 1 1 96 96 PHE N N 90 125.899 125.899 120.853 5.046 17610 7174 1 8 . 1 1 96 96 PHE HA H 90 4.037 4.037 3.825 0.212 17610 7175 1 8 . 1 1 96 96 PHE C C 90 177.267 177.267 176.504 0.763 17610 7176 1 8 . 1 1 96 96 PHE CA C 90 59.688 59.688 59.758 -0.070 17610 7177 1 8 . 1 1 96 96 PHE CB C 90 40.175 40.175 38.713 1.462 17610 7178 1 8 . 1 1 96 96 PHE H H 90 7.419 7.419 7.779 -0.360 17610 7179 1 8 . 1 1 97 97 GLU N N 91 122.834 122.834 117.222 5.612 17610 7180 1 8 . 1 1 97 97 GLU HA H 91 3.787 3.787 3.828 -0.041 17610 7181 1 8 . 1 1 97 97 GLU C C 91 179.628 179.628 177.860 1.768 17610 7182 1 8 . 1 1 97 97 GLU CA C 91 59.004 59.004 59.120 -0.116 17610 7183 1 8 . 1 1 97 97 GLU CB C 91 29.261 29.261 29.552 -0.291 17610 7184 1 8 . 1 1 97 97 GLU H H 91 8.449 8.449 7.664 0.785 17610 7185 1 8 . 1 1 98 98 ASP N N 92 118.617 118.617 120.785 -2.168 17610 7186 1 8 . 1 1 98 98 ASP HA H 92 4.553 4.553 4.331 0.222 17610 7187 1 8 . 1 1 98 98 ASP C C 92 177.582 177.582 178.626 -1.044 17610 7188 1 8 . 1 1 98 98 ASP CA C 92 56.171 56.171 56.909 -0.738 17610 7189 1 8 . 1 1 98 98 ASP CB C 92 41.184 41.184 40.133 1.051 17610 7190 1 8 . 1 1 98 98 ASP H H 92 8.492 8.492 7.554 0.938 17610 7191 1 8 . 1 1 99 99 ILE N N 93 121.939 121.939 117.961 3.978 17610 7192 1 8 . 1 1 99 99 ILE HA H 93 3.954 3.954 4.037 -0.083 17610 7193 1 8 . 1 1 99 99 ILE C C 93 177.442 177.442 177.712 -0.270 17610 7194 1 8 . 1 1 99 99 ILE CA C 93 62.370 62.370 62.670 -0.301 17610 7195 1 8 . 1 1 99 99 ILE CB C 93 34.570 34.570 36.279 -1.709 17610 7196 1 8 . 1 1 99 99 ILE H H 93 7.583 7.583 7.704 -0.121 17610 7197 1 8 . 1 1 100 100 HIS N N 94 118.387 118.387 119.846 -1.459 17610 7198 1 8 . 1 1 100 100 HIS HA H 94 4.273 4.273 4.483 -0.210 17610 7199 1 8 . 1 1 100 100 HIS C C 94 177.345 177.345 177.091 0.254 17610 7200 1 8 . 1 1 100 100 HIS CA C 94 60.090 60.090 59.557 0.533 17610 7201 1 8 . 1 1 100 100 HIS CB C 94 30.512 30.512 30.325 0.187 17610 7202 1 8 . 1 1 100 100 HIS H H 94 7.799 7.799 7.560 0.239 17610 7203 1 8 . 1 1 101 101 GLN N N 95 117.673 117.673 118.839 -1.166 17610 7204 1 8 . 1 1 101 101 GLN HA H 95 3.941 3.941 3.779 0.162 17610 7205 1 8 . 1 1 101 101 GLN C C 95 179.155 179.155 178.333 0.822 17610 7206 1 8 . 1 1 101 101 GLN CA C 95 58.371 58.371 58.000 0.371 17610 7207 1 8 . 1 1 101 101 GLN CB C 95 27.807 27.807 27.566 0.241 17610 7208 1 8 . 1 1 101 101 GLN H H 95 7.468 7.468 7.677 -0.209 17610 7209 1 8 . 1 1 102 102 TYR N N 96 120.407 120.407 120.446 -0.039 17610 7210 1 8 . 1 1 102 102 TYR HA H 96 4.064 4.064 4.045 0.019 17610 7211 1 8 . 1 1 102 102 TYR C C 96 177.660 177.660 177.883 -0.223 17610 7212 1 8 . 1 1 102 102 TYR CA C 96 62.847 62.847 60.919 1.928 17610 7213 1 8 . 1 1 102 102 TYR CB C 96 37.795 37.795 38.075 -0.280 17610 7214 1 8 . 1 1 102 102 TYR H H 96 7.600 7.600 8.476 -0.876 17610 7215 1 8 . 1 1 103 103 ARG N N 97 119.974 119.974 119.376 0.598 17610 7216 1 8 . 1 1 103 103 ARG HA H 97 3.616 3.616 3.721 -0.105 17610 7217 1 8 . 1 1 103 103 ARG C C 97 177.618 177.618 178.048 -0.430 17610 7218 1 8 . 1 1 103 103 ARG CA C 97 59.938 59.938 59.524 0.414 17610 7219 1 8 . 1 1 103 103 ARG CB C 97 28.599 28.599 29.491 -0.892 17610 7220 1 8 . 1 1 103 103 ARG H H 97 8.395 8.395 7.493 0.902 17610 7221 1 8 . 1 1 104 104 GLU N N 98 118.351 118.351 117.399 0.952 17610 7222 1 8 . 1 1 104 104 GLU HA H 98 3.781 3.781 3.899 -0.118 17610 7223 1 8 . 1 1 104 104 GLU C C 98 178.982 178.982 179.197 -0.215 17610 7224 1 8 . 1 1 104 104 GLU CA C 98 58.900 58.900 59.295 -0.395 17610 7225 1 8 . 1 1 104 104 GLU CB C 98 29.435 29.435 28.900 0.535 17610 7226 1 8 . 1 1 104 104 GLU H H 98 7.970 7.970 7.644 0.326 17610 7227 1 8 . 1 1 105 105 GLN N N 99 121.350 121.350 118.410 2.940 17610 7228 1 8 . 1 1 105 105 GLN HA H 99 3.946 3.946 4.103 -0.157 17610 7229 1 8 . 1 1 105 105 GLN C C 99 177.701 177.701 178.308 -0.607 17610 7230 1 8 . 1 1 105 105 GLN CA C 99 59.037 59.037 58.610 0.427 17610 7231 1 8 . 1 1 105 105 GLN CB C 99 27.938 27.938 28.596 -0.659 17610 7232 1 8 . 1 1 105 105 GLN H H 99 7.907 7.907 7.618 0.289 17610 7233 1 8 . 1 1 106 106 ILE N N 100 121.310 121.310 120.611 0.699 17610 7234 1 8 . 1 1 106 106 ILE HA H 100 3.177 3.177 3.345 -0.168 17610 7235 1 8 . 1 1 106 106 ILE C C 100 177.199 177.199 177.868 -0.669 17610 7236 1 8 . 1 1 106 106 ILE CA C 100 65.682 65.682 65.075 0.607 17610 7237 1 8 . 1 1 106 106 ILE CB C 100 37.874 37.874 37.198 0.676 17610 7238 1 8 . 1 1 106 106 ILE H H 100 7.920 7.920 7.176 0.744 17610 7239 1 8 . 1 1 107 107 LYS N N 101 118.584 118.584 118.751 -0.167 17610 7240 1 8 . 1 1 107 107 LYS HA H 101 3.951 3.951 4.185 -0.234 17610 7241 1 8 . 1 1 107 107 LYS C C 101 179.476 179.476 179.007 0.469 17610 7242 1 8 . 1 1 107 107 LYS CA C 101 59.571 59.571 59.425 0.145 17610 7243 1 8 . 1 1 107 107 LYS CB C 101 32.227 32.227 31.940 0.287 17610 7244 1 8 . 1 1 107 107 LYS H H 101 7.782 7.782 8.153 -0.371 17610 7245 1 8 . 1 1 108 108 ARG N N 102 119.152 119.152 119.969 -0.817 17610 7246 1 8 . 1 1 108 108 ARG HA H 102 4.082 4.082 4.008 0.074 17610 7247 1 8 . 1 1 108 108 ARG C C 102 179.582 179.582 178.479 1.103 17610 7248 1 8 . 1 1 108 108 ARG CA C 102 58.946 58.946 59.095 -0.149 17610 7249 1 8 . 1 1 108 108 ARG CB C 102 30.097 30.097 30.046 0.051 17610 7250 1 8 . 1 1 108 108 ARG H H 102 7.777 7.777 7.240 0.537 17610 7251 1 8 . 1 1 109 109 VAL N N 103 119.544 119.544 120.216 -0.672 17610 7252 1 8 . 1 1 109 109 VAL HA H 103 3.837 3.837 3.710 0.127 17610 7253 1 8 . 1 1 109 109 VAL C C 103 177.919 177.919 178.081 -0.162 17610 7254 1 8 . 1 1 109 109 VAL CA C 103 65.393 65.393 65.879 -0.486 17610 7255 1 8 . 1 1 109 109 VAL CB C 103 31.599 31.599 31.599 0.000 17610 7256 1 8 . 1 1 109 109 VAL H H 103 8.282 8.282 7.660 0.622 17610 7257 1 8 . 1 1 110 110 LYS N N 104 117.592 117.592 117.791 -0.199 17610 7258 1 8 . 1 1 110 110 LYS HA H 104 4.269 4.269 4.194 0.075 17610 7259 1 8 . 1 1 110 110 LYS C C 104 175.878 175.878 176.219 -0.341 17610 7260 1 8 . 1 1 110 110 LYS CA C 104 54.797 54.797 56.437 -1.640 17610 7261 1 8 . 1 1 110 110 LYS CB C 104 30.687 30.687 32.218 -1.531 17610 7262 1 8 . 1 1 110 110 LYS H H 104 8.117 8.117 8.001 0.116 17610 7263 1 8 . 1 1 111 111 ASP N N 105 122.118 122.118 116.927 5.191 17610 7264 1 8 . 1 1 111 111 ASP HA H 105 4.306 4.306 4.390 -0.084 17610 7265 1 8 . 1 1 111 111 ASP C C 105 174.496 174.496 175.253 -0.757 17610 7266 1 8 . 1 1 111 111 ASP CA C 105 54.442 54.442 55.377 -0.934 17610 7267 1 8 . 1 1 111 111 ASP CB C 105 39.792 39.792 39.064 0.728 17610 7268 1 8 . 1 1 111 111 ASP H H 105 7.958 7.958 7.872 0.086 17610 7269 1 8 . 1 1 112 112 SER N N 106 110.372 110.372 111.966 -1.594 17610 7270 1 8 . 1 1 112 112 SER HA H 106 4.565 4.565 4.675 -0.110 17610 7271 1 8 . 1 1 112 112 SER C C 106 172.985 172.985 173.174 -0.189 17610 7272 1 8 . 1 1 112 112 SER CA C 106 56.779 56.779 57.523 -0.744 17610 7273 1 8 . 1 1 112 112 SER CB C 106 65.259 65.259 64.573 0.686 17610 7274 1 8 . 1 1 112 112 SER H H 106 7.539 7.539 7.898 -0.359 17610 7275 1 8 . 1 1 113 113 ASP N N 107 123.301 123.301 121.570 1.731 17610 7276 1 8 . 1 1 113 113 ASP HA H 107 4.665 4.665 4.488 0.177 17610 7277 1 8 . 1 1 113 113 ASP C C 107 176.066 176.066 175.697 0.369 17610 7278 1 8 . 1 1 113 113 ASP CA C 107 54.267 54.267 55.685 -1.418 17610 7279 1 8 . 1 1 113 113 ASP CB C 107 41.837 41.837 40.858 0.979 17610 7280 1 8 . 1 1 113 113 ASP H H 107 8.385 8.385 8.689 -0.304 17610 7281 1 8 . 1 1 114 114 ASP N N 108 122.347 122.347 121.028 1.319 17610 7282 1 8 . 1 1 114 114 ASP HA H 108 4.882 4.882 4.583 0.299 17610 7283 1 8 . 1 1 114 114 ASP C C 108 174.386 174.386 175.084 -0.698 17610 7284 1 8 . 1 1 114 114 ASP CA C 108 53.143 53.143 54.330 -1.187 17610 7285 1 8 . 1 1 114 114 ASP CB C 108 41.323 41.323 39.936 1.387 17610 7286 1 8 . 1 1 114 114 ASP H H 108 8.404 8.404 8.297 0.107 17610 7287 1 8 . 1 1 115 115 VAL N N 109 123.609 123.609 122.305 1.304 17610 7288 1 8 . 1 1 115 115 VAL HA H 109 4.337 4.337 4.547 -0.210 17610 7289 1 8 . 1 1 115 115 VAL CA C 109 58.984 58.984 58.361 0.623 17610 7290 1 8 . 1 1 115 115 VAL CB C 109 34.932 34.932 35.643 -0.711 17610 7291 1 8 . 1 1 115 115 VAL H H 109 7.649 7.649 7.739 -0.090 17610 7292 1 8 . 1 1 116 116 PRO HA H 110 4.430 4.430 4.614 -0.184 17610 7293 1 8 . 1 1 116 116 PRO C C 110 175.942 175.942 175.426 0.516 17610 7294 1 8 . 1 1 116 116 PRO CA C 110 63.872 63.872 63.323 0.549 17610 7295 1 8 . 1 1 116 116 PRO CB C 110 32.120 32.120 30.325 1.795 17610 7296 1 8 . 1 1 117 117 MET N N 111 124.020 124.020 119.725 4.295 17610 7297 1 8 . 1 1 117 117 MET HA H 111 5.777 5.777 5.469 0.308 17610 7298 1 8 . 1 1 117 117 MET C C 111 173.737 173.737 174.030 -0.293 17610 7299 1 8 . 1 1 117 117 MET CA C 111 55.094 55.094 54.407 0.687 17610 7300 1 8 . 1 1 117 117 MET CB C 111 37.889 37.889 37.030 0.859 17610 7301 1 8 . 1 1 117 117 MET H H 111 8.274 8.274 7.808 0.466 17610 7302 1 8 . 1 1 118 118 VAL N N 112 118.747 118.747 116.542 2.205 17610 7303 1 8 . 1 1 118 118 VAL HA H 112 4.341 4.341 4.556 -0.215 17610 7304 1 8 . 1 1 118 118 VAL C C 112 173.171 173.171 173.520 -0.349 17610 7305 1 8 . 1 1 118 118 VAL CA C 112 60.943 60.943 60.623 0.320 17610 7306 1 8 . 1 1 118 118 VAL CB C 112 37.030 37.030 36.490 0.540 17610 7307 1 8 . 1 1 118 118 VAL H H 112 8.119 8.119 8.517 -0.398 17610 7308 1 8 . 1 1 119 119 LEU N N 113 129.931 129.931 127.388 2.543 17610 7309 1 8 . 1 1 119 119 LEU HA H 113 5.157 5.157 5.622 -0.465 17610 7310 1 8 . 1 1 119 119 LEU C C 113 173.496 173.496 175.071 -1.575 17610 7311 1 8 . 1 1 119 119 LEU CA C 113 53.828 53.828 53.044 0.784 17610 7312 1 8 . 1 1 119 119 LEU CB C 113 43.876 43.876 44.990 -1.115 17610 7313 1 8 . 1 1 119 119 LEU H H 113 8.918 8.918 8.108 0.810 17610 7314 1 8 . 1 1 120 120 VAL N N 114 129.371 129.371 120.055 9.316 17610 7315 1 8 . 1 1 120 120 VAL HA H 114 5.117 5.117 5.332 -0.215 17610 7316 1 8 . 1 1 120 120 VAL C C 114 173.667 173.667 174.958 -1.291 17610 7317 1 8 . 1 1 120 120 VAL CA C 114 60.124 60.124 58.654 1.470 17610 7318 1 8 . 1 1 120 120 VAL CB C 114 35.225 35.225 34.925 0.300 17610 7319 1 8 . 1 1 120 120 VAL H H 114 9.173 9.173 9.400 -0.227 17610 7320 1 8 . 1 1 121 121 GLY N N 115 115.789 115.789 109.186 6.603 17610 7321 1 8 . 1 1 121 121 GLY C C 115 171.603 171.603 173.755 -2.152 17610 7322 1 8 . 1 1 121 121 GLY CA C 115 45.256 45.256 43.242 2.014 17610 7323 1 8 . 1 1 121 121 GLY H H 115 8.046 8.046 7.982 0.064 17610 7324 1 8 . 1 1 122 122 ASN N N 116 122.349 122.349 122.062 0.287 17610 7325 1 8 . 1 1 122 122 ASN HA H 116 5.620 5.620 4.505 1.115 17610 7326 1 8 . 1 1 122 122 ASN C C 116 174.732 174.732 175.379 -0.647 17610 7327 1 8 . 1 1 122 122 ASN CA C 116 51.492 51.492 54.495 -3.003 17610 7328 1 8 . 1 1 122 122 ASN CB C 116 41.323 41.323 39.787 1.536 17610 7329 1 8 . 1 1 122 122 ASN H H 116 8.756 8.756 7.935 0.821 17610 7330 1 8 . 1 1 123 123 LYS N N 117 113.297 113.297 119.174 -5.877 17610 7331 1 8 . 1 1 123 123 LYS HA H 117 4.280 4.280 3.950 0.330 17610 7332 1 8 . 1 1 123 123 LYS C C 117 177.324 177.324 175.189 2.135 17610 7333 1 8 . 1 1 123 123 LYS CA C 117 57.273 57.273 57.490 -0.217 17610 7334 1 8 . 1 1 123 123 LYS CB C 117 29.775 29.775 30.381 -0.606 17610 7335 1 8 . 1 1 123 123 LYS H H 117 7.342 7.342 8.669 -1.327 17610 7336 1 8 . 1 1 124 124 CYS N N 118 115.340 115.340 120.019 -4.679 17610 7337 1 8 . 1 1 124 124 CYS HA H 118 4.292 4.292 4.483 -0.191 17610 7338 1 8 . 1 1 124 124 CYS C C 118 173.325 173.325 174.314 -0.989 17610 7339 1 8 . 1 1 124 124 CYS CA C 118 60.698 60.698 58.000 2.698 17610 7340 1 8 . 1 1 124 124 CYS CB C 118 26.387 26.387 27.451 -1.064 17610 7341 1 8 . 1 1 124 124 CYS H H 118 8.763 8.763 8.281 0.482 17610 7342 1 8 . 1 1 125 125 ASP N N 119 118.603 118.603 120.269 -1.666 17610 7343 1 8 . 1 1 125 125 ASP HA H 119 4.476 4.476 4.611 -0.135 17610 7344 1 8 . 1 1 125 125 ASP C C 119 175.464 175.464 176.170 -0.706 17610 7345 1 8 . 1 1 125 125 ASP CA C 119 53.951 53.951 54.169 -0.218 17610 7346 1 8 . 1 1 125 125 ASP CB C 119 41.323 41.323 40.073 1.250 17610 7347 1 8 . 1 1 125 125 ASP H H 119 8.613 8.613 8.076 0.537 17610 7348 1 8 . 1 1 126 126 LEU N N 120 122.098 122.098 122.648 -0.550 17610 7349 1 8 . 1 1 126 126 LEU HA H 120 4.241 4.241 4.266 -0.025 17610 7350 1 8 . 1 1 126 126 LEU C C 120 176.420 176.420 177.076 -0.656 17610 7351 1 8 . 1 1 126 126 LEU CA C 120 54.723 54.723 54.860 -0.137 17610 7352 1 8 . 1 1 126 126 LEU CB C 120 41.837 41.837 42.637 -0.800 17610 7353 1 8 . 1 1 126 126 LEU H H 120 7.802 7.802 7.762 0.040 17610 7354 1 8 . 1 1 127 127 ALA N N 121 123.959 123.959 124.931 -0.972 17610 7355 1 8 . 1 1 127 127 ALA HA H 121 4.214 4.214 4.367 -0.153 17610 7356 1 8 . 1 1 127 127 ALA C C 121 178.717 178.717 176.574 2.143 17610 7357 1 8 . 1 1 127 127 ALA CA C 121 53.179 53.179 52.343 0.836 17610 7358 1 8 . 1 1 127 127 ALA CB C 121 18.871 18.871 18.583 0.288 17610 7359 1 8 . 1 1 127 127 ALA H H 121 8.160 8.160 8.415 -0.255 17610 7360 1 8 . 1 1 128 128 ALA N N 122 123.078 123.078 122.267 0.811 17610 7361 1 8 . 1 1 128 128 ALA HA H 122 4.524 4.524 4.519 0.005 17610 7362 1 8 . 1 1 128 128 ALA C C 122 175.272 175.272 175.560 -0.288 17610 7363 1 8 . 1 1 128 128 ALA CA C 122 51.259 51.259 51.366 -0.107 17610 7364 1 8 . 1 1 128 128 ALA CB C 122 17.623 17.623 19.601 -1.978 17610 7365 1 8 . 1 1 128 128 ALA H H 122 7.698 7.698 7.847 -0.149 17610 7366 1 8 . 1 1 129 129 ARG N N 123 121.454 121.454 121.041 0.413 17610 7367 1 8 . 1 1 129 129 ARG HA H 123 4.093 4.093 4.510 -0.417 17610 7368 1 8 . 1 1 129 129 ARG C C 123 176.271 176.271 175.821 0.450 17610 7369 1 8 . 1 1 129 129 ARG CA C 123 55.596 55.596 55.389 0.207 17610 7370 1 8 . 1 1 129 129 ARG CB C 123 32.696 32.696 31.405 1.291 17610 7371 1 8 . 1 1 129 129 ARG H H 123 7.992 7.992 8.069 -0.077 17610 7372 1 8 . 1 1 130 130 THR N N 124 115.617 115.617 113.932 1.685 17610 7373 1 8 . 1 1 130 130 THR HA H 124 4.564 4.564 4.426 0.138 17610 7374 1 8 . 1 1 130 130 THR C C 124 174.119 174.119 174.886 -0.767 17610 7375 1 8 . 1 1 130 130 THR CA C 124 61.746 61.746 62.571 -0.825 17610 7376 1 8 . 1 1 130 130 THR CB C 124 69.094 69.094 70.205 -1.111 17610 7377 1 8 . 1 1 130 130 THR H H 124 9.145 9.145 8.931 0.214 17610 7378 1 8 . 1 1 131 131 VAL N N 125 125.688 125.688 124.963 0.725 17610 7379 1 8 . 1 1 131 131 VAL HA H 125 4.015 4.015 4.161 -0.146 17610 7380 1 8 . 1 1 131 131 VAL C C 125 175.658 175.658 174.637 1.021 17610 7381 1 8 . 1 1 131 131 VAL CA C 125 61.373 61.373 60.763 0.610 17610 7382 1 8 . 1 1 131 131 VAL CB C 125 33.147 33.147 31.703 1.444 17610 7383 1 8 . 1 1 131 131 VAL H H 125 7.618 7.618 7.843 -0.225 17610 7384 1 8 . 1 1 132 132 GLU N N 126 128.319 128.319 127.002 1.317 17610 7385 1 8 . 1 1 132 132 GLU HA H 126 4.228 4.228 4.199 0.029 17610 7386 1 8 . 1 1 132 132 GLU C C 126 177.986 177.986 177.219 0.767 17610 7387 1 8 . 1 1 132 132 GLU CA C 126 56.323 56.323 56.422 -0.099 17610 7388 1 8 . 1 1 132 132 GLU CB C 126 30.158 30.158 30.115 0.043 17610 7389 1 8 . 1 1 132 132 GLU H H 126 8.727 8.727 8.277 0.450 17610 7390 1 8 . 1 1 133 133 SER N N 127 122.970 122.970 116.504 6.466 17610 7391 1 8 . 1 1 133 133 SER HA H 127 4.074 4.074 4.200 -0.126 17610 7392 1 8 . 1 1 133 133 SER C C 127 176.633 176.633 176.536 0.097 17610 7393 1 8 . 1 1 133 133 SER CA C 127 62.598 62.598 62.172 0.426 17610 7394 1 8 . 1 1 133 133 SER CB C 127 62.511 62.511 63.100 -0.589 17610 7395 1 8 . 1 1 133 133 SER H H 127 9.421 9.421 8.742 0.679 17610 7396 1 8 . 1 1 134 134 ARG N N 128 119.141 119.141 121.582 -2.441 17610 7397 1 8 . 1 1 134 134 ARG HA H 128 4.028 4.028 4.001 0.027 17610 7398 1 8 . 1 1 134 134 ARG C C 128 177.739 177.739 178.036 -0.297 17610 7399 1 8 . 1 1 134 134 ARG CA C 128 58.785 58.785 59.133 -0.348 17610 7400 1 8 . 1 1 134 134 ARG CB C 128 29.752 29.752 29.178 0.574 17610 7401 1 8 . 1 1 134 134 ARG H H 128 8.675 8.675 8.418 0.257 17610 7402 1 8 . 1 1 135 135 GLN N N 129 118.050 118.050 117.309 0.741 17610 7403 1 8 . 1 1 135 135 GLN HA H 129 4.091 4.091 3.970 0.121 17610 7404 1 8 . 1 1 135 135 GLN C C 129 179.009 179.009 177.725 1.284 17610 7405 1 8 . 1 1 135 135 GLN CA C 129 58.389 58.389 59.229 -0.840 17610 7406 1 8 . 1 1 135 135 GLN CB C 129 28.916 28.916 28.219 0.697 17610 7407 1 8 . 1 1 135 135 GLN H H 129 6.796 6.796 8.461 -1.665 17610 7408 1 8 . 1 1 136 136 ALA N N 130 124.769 124.769 121.280 3.489 17610 7409 1 8 . 1 1 136 136 ALA HA H 130 3.933 3.933 3.479 0.454 17610 7410 1 8 . 1 1 136 136 ALA C C 130 178.155 178.155 179.573 -1.418 17610 7411 1 8 . 1 1 136 136 ALA CA C 130 54.760 54.760 54.586 0.174 17610 7412 1 8 . 1 1 136 136 ALA CB C 130 18.546 18.546 17.894 0.652 17610 7413 1 8 . 1 1 136 136 ALA H H 130 7.017 7.017 7.488 -0.471 17610 7414 1 8 . 1 1 137 137 GLN N N 131 119.215 119.215 117.756 1.459 17610 7415 1 8 . 1 1 137 137 GLN HA H 131 3.720 3.720 3.696 0.024 17610 7416 1 8 . 1 1 137 137 GLN C C 131 179.387 179.387 178.137 1.250 17610 7417 1 8 . 1 1 137 137 GLN CA C 131 58.815 58.815 59.457 -0.642 17610 7418 1 8 . 1 1 137 137 GLN CB C 131 28.503 28.503 28.337 0.166 17610 7419 1 8 . 1 1 137 137 GLN H H 131 8.602 8.602 8.455 0.147 17610 7420 1 8 . 1 1 138 138 ASP N N 132 121.298 121.298 119.797 1.501 17610 7421 1 8 . 1 1 138 138 ASP HA H 132 4.371 4.371 4.357 0.014 17610 7422 1 8 . 1 1 138 138 ASP C C 132 178.855 178.855 178.484 0.371 17610 7423 1 8 . 1 1 138 138 ASP CA C 132 57.425 57.425 57.462 -0.037 17610 7424 1 8 . 1 1 138 138 ASP CB C 132 40.860 40.860 40.904 -0.044 17610 7425 1 8 . 1 1 138 138 ASP H H 132 8.203 8.203 8.286 -0.083 17610 7426 1 8 . 1 1 139 139 LEU N N 133 124.786 124.786 121.019 3.767 17610 7427 1 8 . 1 1 139 139 LEU HA H 133 3.888 3.888 4.011 -0.123 17610 7428 1 8 . 1 1 139 139 LEU C C 133 178.953 178.953 177.852 1.101 17610 7429 1 8 . 1 1 139 139 LEU CA C 133 57.827 57.827 57.310 0.517 17610 7430 1 8 . 1 1 139 139 LEU CB C 133 41.837 41.837 41.734 0.103 17610 7431 1 8 . 1 1 139 139 LEU H H 133 7.485 7.485 7.285 0.200 17610 7432 1 8 . 1 1 140 140 ALA N N 134 123.038 123.038 121.804 1.234 17610 7433 1 8 . 1 1 140 140 ALA HA H 134 3.783 3.783 4.061 -0.278 17610 7434 1 8 . 1 1 140 140 ALA C C 134 179.902 179.902 179.114 0.788 17610 7435 1 8 . 1 1 140 140 ALA CA C 134 55.832 55.832 55.481 0.351 17610 7436 1 8 . 1 1 140 140 ALA CB C 134 18.120 18.120 18.435 -0.315 17610 7437 1 8 . 1 1 140 140 ALA H H 134 8.426 8.426 7.981 0.445 17610 7438 1 8 . 1 1 141 141 ARG N N 135 119.537 119.537 117.037 2.500 17610 7439 1 8 . 1 1 141 141 ARG HA H 135 4.194 4.194 4.087 0.107 17610 7440 1 8 . 1 1 141 141 ARG C C 135 180.037 180.037 178.534 1.503 17610 7441 1 8 . 1 1 141 141 ARG CA C 135 59.331 59.331 58.958 0.373 17610 7442 1 8 . 1 1 141 141 ARG CB C 135 29.864 29.864 30.187 -0.323 17610 7443 1 8 . 1 1 141 141 ARG H H 135 8.459 8.459 8.378 0.081 17610 7444 1 8 . 1 1 142 142 SER N N 136 118.958 118.958 114.978 3.980 17610 7445 1 8 . 1 1 142 142 SER HA H 136 4.277 4.277 4.222 0.055 17610 7446 1 8 . 1 1 142 142 SER C C 136 176.127 176.127 175.962 0.165 17610 7447 1 8 . 1 1 142 142 SER CA C 136 61.509 61.509 61.002 0.507 17610 7448 1 8 . 1 1 142 142 SER CB C 136 62.529 62.529 63.117 -0.588 17610 7449 1 8 . 1 1 142 142 SER H H 136 7.944 7.944 7.507 0.437 17610 7450 1 8 . 1 1 143 143 TYR N N 137 121.309 121.309 118.743 2.566 17610 7451 1 8 . 1 1 143 143 TYR HA H 137 4.907 4.907 4.495 0.412 17610 7452 1 8 . 1 1 143 143 TYR C C 137 176.279 176.279 176.367 -0.088 17610 7453 1 8 . 1 1 143 143 TYR CA C 137 54.737 54.737 58.056 -3.319 17610 7454 1 8 . 1 1 143 143 TYR CB C 137 38.830 38.830 38.581 0.249 17610 7455 1 8 . 1 1 143 143 TYR H H 137 7.623 7.623 7.546 0.077 17610 7456 1 8 . 1 1 144 144 GLY N N 138 112.193 112.193 107.253 4.940 17610 7457 1 8 . 1 1 144 144 GLY C C 138 175.077 175.077 174.601 0.476 17610 7458 1 8 . 1 1 144 144 GLY CA C 138 46.439 46.439 45.637 0.802 17610 7459 1 8 . 1 1 144 144 GLY H H 138 8.328 8.328 7.541 0.787 17610 7460 1 8 . 1 1 145 145 ILE N N 139 114.227 114.227 116.150 -1.923 17610 7461 1 8 . 1 1 145 145 ILE HA H 139 5.241 5.241 4.784 0.457 17610 7462 1 8 . 1 1 145 145 ILE CA C 139 58.420 58.420 57.883 0.537 17610 7463 1 8 . 1 1 145 145 ILE CB C 139 38.543 38.543 39.009 -0.466 17610 7464 1 8 . 1 1 145 145 ILE H H 139 8.059 8.059 7.704 0.355 17610 7465 1 8 . 1 1 146 146 PRO HA H 140 4.627 4.627 4.540 0.087 17610 7466 1 8 . 1 1 146 146 PRO C C 140 174.570 174.570 175.259 -0.689 17610 7467 1 8 . 1 1 146 146 PRO CA C 140 62.362 62.362 62.309 0.053 17610 7468 1 8 . 1 1 146 146 PRO CB C 140 33.057 33.057 32.543 0.514 17610 7469 1 8 . 1 1 147 147 TYR N N 141 121.135 121.135 122.022 -0.887 17610 7470 1 8 . 1 1 147 147 TYR HA H 141 5.997 5.997 5.621 0.376 17610 7471 1 8 . 1 1 147 147 TYR C C 141 174.492 174.492 174.745 -0.253 17610 7472 1 8 . 1 1 147 147 TYR CA C 141 54.912 54.912 56.288 -1.376 17610 7473 1 8 . 1 1 147 147 TYR CB C 141 40.972 40.972 40.626 0.346 17610 7474 1 8 . 1 1 147 147 TYR H H 141 8.252 8.252 8.387 -0.135 17610 7475 1 8 . 1 1 148 148 ILE N N 142 131.362 131.362 127.496 3.866 17610 7476 1 8 . 1 1 148 148 ILE HA H 142 3.948 3.948 4.232 -0.284 17610 7477 1 8 . 1 1 148 148 ILE C C 142 172.977 172.977 174.119 -1.142 17610 7478 1 8 . 1 1 148 148 ILE CA C 142 59.383 59.383 59.795 -0.412 17610 7479 1 8 . 1 1 148 148 ILE CB C 142 42.260 42.260 41.707 0.553 17610 7480 1 8 . 1 1 148 148 ILE H H 142 8.495 8.495 8.164 0.331 17610 7481 1 8 . 1 1 149 149 GLU N N 143 125.874 125.874 123.859 2.015 17610 7482 1 8 . 1 1 149 149 GLU HA H 143 4.788 4.788 4.435 0.353 17610 7483 1 8 . 1 1 149 149 GLU C C 143 176.128 176.128 175.487 0.641 17610 7484 1 8 . 1 1 149 149 GLU CA C 143 55.647 55.647 55.261 0.386 17610 7485 1 8 . 1 1 149 149 GLU CB C 143 29.727 29.727 30.692 -0.965 17610 7486 1 8 . 1 1 149 149 GLU H H 143 7.827 7.827 8.535 -0.708 17610 7487 1 8 . 1 1 150 150 THR N N 144 113.629 113.629 113.604 0.025 17610 7488 1 8 . 1 1 150 150 THR HA H 144 5.081 5.081 5.456 -0.375 17610 7489 1 8 . 1 1 150 150 THR C C 144 176.136 176.136 173.669 2.467 17610 7490 1 8 . 1 1 150 150 THR CA C 144 59.464 59.464 59.106 0.358 17610 7491 1 8 . 1 1 150 150 THR CB C 144 73.639 73.639 71.417 2.222 17610 7492 1 8 . 1 1 150 150 THR H H 144 8.800 8.800 8.239 0.561 17610 7493 1 8 . 1 1 151 151 SER N N 145 113.706 113.706 116.169 -2.463 17610 7494 1 8 . 1 1 151 151 SER HA H 145 4.883 4.883 4.793 0.090 17610 7495 1 8 . 1 1 151 151 SER C C 145 175.707 175.707 173.733 1.974 17610 7496 1 8 . 1 1 151 151 SER CA C 145 57.438 57.438 56.618 0.820 17610 7497 1 8 . 1 1 151 151 SER CB C 145 64.470 64.470 66.055 -1.585 17610 7498 1 8 . 1 1 151 151 SER H H 145 8.807 8.807 8.287 0.520 17610 7499 1 8 . 1 1 152 152 ALA N N 146 133.500 133.500 127.562 5.938 17610 7500 1 8 . 1 1 152 152 ALA HA H 146 3.890 3.890 4.003 -0.113 17610 7501 1 8 . 1 1 152 152 ALA C C 146 175.632 175.632 177.352 -1.720 17610 7502 1 8 . 1 1 152 152 ALA CA C 146 54.416 54.416 54.139 0.277 17610 7503 1 8 . 1 1 152 152 ALA CB C 146 18.605 18.605 18.607 -0.002 17610 7504 1 8 . 1 1 152 152 ALA H H 146 9.134 9.134 8.785 0.349 17610 7505 1 8 . 1 1 153 153 LYS N N 147 117.223 117.223 116.690 0.533 17610 7506 1 8 . 1 1 153 153 LYS HA H 147 2.616 2.616 4.569 -1.953 17610 7507 1 8 . 1 1 153 153 LYS C C 147 177.045 177.045 178.241 -1.196 17610 7508 1 8 . 1 1 153 153 LYS CA C 147 58.119 58.119 58.760 -0.641 17610 7509 1 8 . 1 1 153 153 LYS CB C 147 33.956 33.956 32.967 0.989 17610 7510 1 8 . 1 1 153 153 LYS H H 147 7.042 7.042 8.298 -1.256 17610 7511 1 8 . 1 1 154 154 THR N N 148 107.404 107.404 111.027 -3.623 17610 7512 1 8 . 1 1 154 154 THR HA H 148 4.157 4.157 4.208 -0.051 17610 7513 1 8 . 1 1 154 154 THR C C 148 175.979 175.979 174.802 1.177 17610 7514 1 8 . 1 1 154 154 THR CA C 148 61.489 61.489 62.625 -1.136 17610 7515 1 8 . 1 1 154 154 THR CB C 148 69.911 69.911 69.507 0.405 17610 7516 1 8 . 1 1 154 154 THR H H 148 7.721 7.721 8.011 -0.290 17610 7517 1 8 . 1 1 155 155 ARG N N 149 119.268 119.268 120.873 -1.605 17610 7518 1 8 . 1 1 155 155 ARG HA H 149 3.476 3.476 3.964 -0.488 17610 7519 1 8 . 1 1 155 155 ARG C C 149 175.481 175.481 174.066 1.415 17610 7520 1 8 . 1 1 155 155 ARG CA C 149 59.653 59.653 56.989 2.664 17610 7521 1 8 . 1 1 155 155 ARG CB C 149 30.445 30.445 28.328 2.117 17610 7522 1 8 . 1 1 155 155 ARG H H 149 7.814 7.814 7.793 0.021 17610 7523 1 8 . 1 1 156 156 GLN N N 150 125.391 125.391 123.697 1.694 17610 7524 1 8 . 1 1 156 156 GLN HA H 150 4.065 4.065 4.515 -0.450 17610 7525 1 8 . 1 1 156 156 GLN C C 150 177.007 177.007 175.680 1.327 17610 7526 1 8 . 1 1 156 156 GLN CA C 150 57.433 57.433 55.004 2.429 17610 7527 1 8 . 1 1 156 156 GLN CB C 150 28.472 28.472 30.950 -2.478 17610 7528 1 8 . 1 1 156 156 GLN H H 150 7.833 7.833 7.974 -0.141 17610 7529 1 8 . 1 1 157 157 GLY N N 151 116.380 116.380 114.344 2.036 17610 7530 1 8 . 1 1 157 157 GLY C C 151 173.581 173.581 174.811 -1.230 17610 7531 1 8 . 1 1 157 157 GLY CA C 151 46.945 46.945 46.511 0.434 17610 7532 1 8 . 1 1 157 157 GLY H H 151 8.936 8.936 9.064 -0.128 17610 7533 1 8 . 1 1 158 158 VAL N N 152 121.822 121.822 119.828 1.994 17610 7534 1 8 . 1 1 158 158 VAL HA H 152 3.221 3.221 3.535 -0.314 17610 7535 1 8 . 1 1 158 158 VAL C C 152 177.006 177.006 177.613 -0.607 17610 7536 1 8 . 1 1 158 158 VAL CA C 152 68.314 68.314 65.663 2.651 17610 7537 1 8 . 1 1 158 158 VAL CB C 152 31.473 31.473 31.470 0.003 17610 7538 1 8 . 1 1 158 158 VAL H H 152 7.099 7.099 8.028 -0.929 17610 7539 1 8 . 1 1 159 159 GLU N N 153 118.087 118.087 117.594 0.493 17610 7540 1 8 . 1 1 159 159 GLU HA H 153 3.305 3.305 3.565 -0.260 17610 7541 1 8 . 1 1 159 159 GLU C C 153 177.163 177.163 178.601 -1.438 17610 7542 1 8 . 1 1 159 159 GLU CA C 153 60.407 60.407 59.561 0.846 17610 7543 1 8 . 1 1 159 159 GLU CB C 153 28.787 28.787 28.714 0.073 17610 7544 1 8 . 1 1 159 159 GLU H H 153 8.271 8.271 8.700 -0.429 17610 7545 1 8 . 1 1 160 160 ASP N N 154 117.624 117.624 120.371 -2.747 17610 7546 1 8 . 1 1 160 160 ASP HA H 154 4.205 4.205 4.576 -0.371 17610 7547 1 8 . 1 1 160 160 ASP C C 154 179.366 179.366 178.148 1.218 17610 7548 1 8 . 1 1 160 160 ASP CA C 154 57.288 57.288 57.559 -0.271 17610 7549 1 8 . 1 1 160 160 ASP CB C 154 40.040 40.040 40.462 -0.422 17610 7550 1 8 . 1 1 160 160 ASP H H 154 8.145 8.145 8.198 -0.053 17610 7551 1 8 . 1 1 161 161 ALA N N 155 125.270 125.270 122.315 2.955 17610 7552 1 8 . 1 1 161 161 ALA HA H 155 3.749 3.749 4.076 -0.327 17610 7553 1 8 . 1 1 161 161 ALA C C 155 177.684 177.684 179.771 -2.087 17610 7554 1 8 . 1 1 161 161 ALA CA C 155 56.295 56.295 54.925 1.371 17610 7555 1 8 . 1 1 161 161 ALA CB C 155 17.397 17.397 18.565 -1.168 17610 7556 1 8 . 1 1 161 161 ALA H H 155 8.603 8.603 7.565 1.038 17610 7557 1 8 . 1 1 162 162 PHE N N 156 113.772 113.772 117.807 -4.035 17610 7558 1 8 . 1 1 162 162 PHE HA H 156 3.912 3.912 4.034 -0.121 17610 7559 1 8 . 1 1 162 162 PHE C C 156 177.975 177.975 177.965 0.010 17610 7560 1 8 . 1 1 162 162 PHE CA C 156 62.851 62.851 61.489 1.362 17610 7561 1 8 . 1 1 162 162 PHE CB C 156 39.472 39.472 38.255 1.217 17610 7562 1 8 . 1 1 162 162 PHE H H 156 7.236 7.236 7.745 -0.509 17610 7563 1 8 . 1 1 163 163 TYR N N 157 120.499 120.499 117.329 3.170 17610 7564 1 8 . 1 1 163 163 TYR HA H 157 4.355 4.355 4.145 0.210 17610 7565 1 8 . 1 1 163 163 TYR C C 157 179.097 179.097 178.254 0.843 17610 7566 1 8 . 1 1 163 163 TYR CA C 157 58.309 58.309 60.576 -2.267 17610 7567 1 8 . 1 1 163 163 TYR CB C 157 35.012 35.012 37.370 -2.358 17610 7568 1 8 . 1 1 163 163 TYR H H 157 9.573 9.573 8.566 1.007 17610 7569 1 8 . 1 1 164 164 THR N N 158 118.206 118.206 115.037 3.169 17610 7570 1 8 . 1 1 164 164 THR HA H 158 3.903 3.903 4.003 -0.100 17610 7571 1 8 . 1 1 164 164 THR C C 158 175.656 175.656 176.174 -0.518 17610 7572 1 8 . 1 1 164 164 THR CA C 158 67.484 67.484 66.172 1.312 17610 7573 1 8 . 1 1 164 164 THR CB C 158 67.819 67.819 68.213 -0.394 17610 7574 1 8 . 1 1 164 164 THR H H 158 8.538 8.538 8.044 0.494 17610 7575 1 8 . 1 1 165 165 LEU N N 159 122.864 122.864 121.141 1.723 17610 7576 1 8 . 1 1 165 165 LEU HA H 159 3.871 3.871 4.089 -0.218 17610 7577 1 8 . 1 1 165 165 LEU C C 159 177.513 177.513 177.851 -0.338 17610 7578 1 8 . 1 1 165 165 LEU CA C 159 57.991 57.991 57.859 0.132 17610 7579 1 8 . 1 1 165 165 LEU CB C 159 40.181 40.181 40.767 -0.586 17610 7580 1 8 . 1 1 165 165 LEU H H 159 7.232 7.232 7.702 -0.470 17610 7581 1 8 . 1 1 166 166 VAL N N 160 120.322 120.322 118.735 1.587 17610 7582 1 8 . 1 1 166 166 VAL HA H 160 3.045 3.045 3.320 -0.275 17610 7583 1 8 . 1 1 166 166 VAL C C 160 177.474 177.474 178.499 -1.025 17610 7584 1 8 . 1 1 166 166 VAL CA C 160 67.389 67.389 65.929 1.460 17610 7585 1 8 . 1 1 166 166 VAL CB C 160 30.944 30.944 30.850 0.094 17610 7586 1 8 . 1 1 166 166 VAL H H 160 7.517 7.517 7.273 0.244 17610 7587 1 8 . 1 1 167 167 ARG N N 161 120.151 120.151 119.243 0.908 17610 7588 1 8 . 1 1 167 167 ARG HA H 161 3.772 3.772 3.980 -0.208 17610 7589 1 8 . 1 1 167 167 ARG C C 161 179.030 179.030 178.622 0.408 17610 7590 1 8 . 1 1 167 167 ARG CA C 161 60.935 60.935 59.404 1.531 17610 7591 1 8 . 1 1 167 167 ARG CB C 161 29.586 29.586 29.734 -0.148 17610 7592 1 8 . 1 1 167 167 ARG H H 161 8.044 8.044 7.492 0.552 17610 7593 1 8 . 1 1 168 168 GLU N N 162 119.201 119.201 120.509 -1.308 17610 7594 1 8 . 1 1 168 168 GLU HA H 162 4.050 4.050 4.101 -0.051 17610 7595 1 8 . 1 1 168 168 GLU C C 162 179.805 179.805 179.231 0.574 17610 7596 1 8 . 1 1 168 168 GLU CA C 162 58.867 58.867 59.315 -0.448 17610 7597 1 8 . 1 1 168 168 GLU CB C 162 30.330 30.330 29.203 1.127 17610 7598 1 8 . 1 1 168 168 GLU H H 162 8.171 8.171 7.987 0.184 17610 7599 1 8 . 1 1 169 169 ILE N N 163 123.244 123.244 119.147 4.097 17610 7600 1 8 . 1 1 169 169 ILE HA H 163 3.583 3.583 3.670 -0.087 17610 7601 1 8 . 1 1 169 169 ILE C C 163 178.906 178.906 178.643 0.263 17610 7602 1 8 . 1 1 169 169 ILE CA C 163 66.023 66.023 65.235 0.788 17610 7603 1 8 . 1 1 169 169 ILE CB C 163 38.204 38.204 37.718 0.486 17610 7604 1 8 . 1 1 169 169 ILE H H 163 8.174 8.174 7.718 0.456 17610 7605 1 8 . 1 1 170 170 ARG N N 164 119.842 119.842 118.625 1.217 17610 7606 1 8 . 1 1 170 170 ARG HA H 164 4.140 4.140 4.075 0.065 17610 7607 1 8 . 1 1 170 170 ARG C C 164 177.532 177.532 178.166 -0.634 17610 7608 1 8 . 1 1 170 170 ARG CA C 164 58.944 58.944 58.686 0.258 17610 7609 1 8 . 1 1 170 170 ARG CB C 164 31.206 31.206 29.633 1.573 17610 7610 1 8 . 1 1 170 170 ARG H H 164 8.405 8.405 7.574 0.831 17610 7611 1 8 . 1 1 171 171 GLN N N 165 116.762 116.762 115.708 1.054 17610 7612 1 8 . 1 1 171 171 GLN HA H 165 4.343 4.343 4.166 0.177 17610 7613 1 8 . 1 1 171 171 GLN C C 165 175.218 175.218 176.526 -1.308 17610 7614 1 8 . 1 1 171 171 GLN CA C 165 56.100 56.100 57.624 -1.524 17610 7615 1 8 . 1 1 171 171 GLN CB C 165 29.236 29.236 29.203 0.033 17610 7616 1 8 . 1 1 171 171 GLN H H 165 7.646 7.646 7.596 0.050 17610 7617 1 9 . 1 1 8 8 THR N N 2 124.188 124.188 116.684 7.504 17610 7618 1 9 . 1 1 8 8 THR HA H 2 3.983 3.983 4.516 -0.533 17610 7619 1 9 . 1 1 8 8 THR C C 2 171.971 171.971 172.835 -0.864 17610 7620 1 9 . 1 1 8 8 THR CA C 2 63.551 63.551 61.413 2.138 17610 7621 1 9 . 1 1 8 8 THR CB C 2 69.619 69.619 71.160 -1.541 17610 7622 1 9 . 1 1 8 8 THR H H 2 8.667 8.667 8.333 0.334 17610 7623 1 9 . 1 1 9 9 GLU N N 3 127.895 127.895 126.406 1.489 17610 7624 1 9 . 1 1 9 9 GLU HA H 3 5.280 5.280 4.414 0.866 17610 7625 1 9 . 1 1 9 9 GLU C C 3 175.089 175.089 174.796 0.293 17610 7626 1 9 . 1 1 9 9 GLU CA C 3 53.636 53.636 56.026 -2.390 17610 7627 1 9 . 1 1 9 9 GLU CB C 3 32.029 32.029 30.498 1.530 17610 7628 1 9 . 1 1 9 9 GLU H H 3 8.316 8.316 8.624 -0.308 17610 7629 1 9 . 1 1 10 10 TYR N N 4 123.375 123.375 126.347 -2.972 17610 7630 1 9 . 1 1 10 10 TYR HA H 4 5.131 5.131 4.599 0.532 17610 7631 1 9 . 1 1 10 10 TYR C C 4 174.621 174.621 175.357 -0.736 17610 7632 1 9 . 1 1 10 10 TYR CA C 4 56.649 56.649 57.189 -0.540 17610 7633 1 9 . 1 1 10 10 TYR CB C 4 41.323 41.323 39.457 1.866 17610 7634 1 9 . 1 1 10 10 TYR H H 4 8.739 8.739 8.228 0.511 17610 7635 1 9 . 1 1 11 11 LYS N N 5 125.147 125.147 126.322 -1.175 17610 7636 1 9 . 1 1 11 11 LYS HA H 5 5.168 5.168 4.597 0.571 17610 7637 1 9 . 1 1 11 11 LYS C C 5 175.291 175.291 175.152 0.139 17610 7638 1 9 . 1 1 11 11 LYS CA C 5 55.145 55.145 55.474 -0.329 17610 7639 1 9 . 1 1 11 11 LYS CB C 5 32.225 32.225 32.441 -0.216 17610 7640 1 9 . 1 1 11 11 LYS H H 5 9.142 9.142 8.819 0.323 17610 7641 1 9 . 1 1 12 12 LEU N N 6 127.306 127.306 127.046 0.260 17610 7642 1 9 . 1 1 12 12 LEU HA H 6 4.970 4.970 4.257 0.713 17610 7643 1 9 . 1 1 12 12 LEU C C 6 175.298 175.298 175.432 -0.134 17610 7644 1 9 . 1 1 12 12 LEU CA C 6 52.743 52.743 53.980 -1.237 17610 7645 1 9 . 1 1 12 12 LEU CB C 6 43.063 43.063 42.813 0.250 17610 7646 1 9 . 1 1 12 12 LEU H H 6 9.150 9.150 8.914 0.236 17610 7647 1 9 . 1 1 13 13 VAL N N 7 123.170 123.170 125.817 -2.647 17610 7648 1 9 . 1 1 13 13 VAL HA H 7 4.827 4.827 3.995 0.832 17610 7649 1 9 . 1 1 13 13 VAL C C 7 174.230 174.230 175.202 -0.972 17610 7650 1 9 . 1 1 13 13 VAL CB C 7 34.048 34.048 30.833 3.215 17610 7651 1 9 . 1 1 13 13 VAL H H 7 8.113 8.113 8.628 -0.515 17610 7652 1 9 . 1 1 14 14 VAL N N 8 129.854 129.854 128.718 1.136 17610 7653 1 9 . 1 1 14 14 VAL HA H 8 4.669 4.669 4.462 0.207 17610 7654 1 9 . 1 1 14 14 VAL C C 8 175.377 175.377 175.633 -0.256 17610 7655 1 9 . 1 1 14 14 VAL CA C 8 61.935 61.935 61.497 0.438 17610 7656 1 9 . 1 1 14 14 VAL CB C 8 32.496 32.496 31.755 0.741 17610 7657 1 9 . 1 1 14 14 VAL H H 8 8.707 8.707 8.439 0.268 17610 7658 1 9 . 1 1 15 15 VAL N N 9 121.835 121.835 116.154 5.681 17610 7659 1 9 . 1 1 15 15 VAL HA H 9 4.616 4.616 4.477 0.139 17610 7660 1 9 . 1 1 15 15 VAL C C 9 172.824 172.824 173.710 -0.886 17610 7661 1 9 . 1 1 15 15 VAL CA C 9 58.963 58.963 59.103 -0.140 17610 7662 1 9 . 1 1 15 15 VAL CB C 9 35.405 35.405 34.272 1.133 17610 7663 1 9 . 1 1 15 15 VAL H H 9 9.107 9.107 8.636 0.471 17610 7664 1 9 . 1 1 16 16 GLY N N 10 109.233 109.233 106.421 2.812 17610 7665 1 9 . 1 1 16 16 GLY C C 10 172.504 172.504 172.819 -0.315 17610 7666 1 9 . 1 1 16 16 GLY CA C 10 43.848 43.848 44.748 -0.900 17610 7667 1 9 . 1 1 16 16 GLY H H 10 7.394 7.394 7.558 -0.164 17610 7668 1 9 . 1 1 17 17 ALA N N 11 123.120 123.120 122.362 0.758 17610 7669 1 9 . 1 1 17 17 ALA HA H 11 4.547 4.547 4.627 -0.080 17610 7670 1 9 . 1 1 17 17 ALA C C 11 177.371 177.371 178.877 -1.506 17610 7671 1 9 . 1 1 17 17 ALA CA C 11 52.236 52.236 52.367 -0.131 17610 7672 1 9 . 1 1 17 17 ALA CB C 11 19.807 19.807 20.030 -0.223 17610 7673 1 9 . 1 1 17 17 ALA H H 11 9.054 9.054 8.695 0.359 17610 7674 1 9 . 1 1 18 18 GLY N N 12 107.391 107.391 106.244 1.147 17610 7675 1 9 . 1 1 18 18 GLY C C 12 176.858 176.858 174.772 2.086 17610 7676 1 9 . 1 1 18 18 GLY CA C 12 46.465 46.465 46.619 -0.154 17610 7677 1 9 . 1 1 18 18 GLY H H 12 8.694 8.694 8.949 -0.255 17610 7678 1 9 . 1 1 19 19 GLY N N 13 114.596 114.596 106.666 7.930 17610 7679 1 9 . 1 1 19 19 GLY C C 13 174.661 174.661 174.683 -0.022 17610 7680 1 9 . 1 1 19 19 GLY CA C 13 46.545 46.545 43.913 2.632 17610 7681 1 9 . 1 1 19 19 GLY H H 13 8.916 8.916 7.832 1.084 17610 7682 1 9 . 1 1 20 20 VAL N N 14 113.376 113.376 113.886 -0.510 17610 7683 1 9 . 1 1 20 20 VAL HA H 14 4.008 4.008 4.521 -0.513 17610 7684 1 9 . 1 1 20 20 VAL C C 14 174.469 174.469 176.398 -1.929 17610 7685 1 9 . 1 1 20 20 VAL CA C 14 62.825 62.825 61.282 1.544 17610 7686 1 9 . 1 1 20 20 VAL CB C 14 31.740 31.740 33.425 -1.685 17610 7687 1 9 . 1 1 20 20 VAL H H 14 7.427 7.427 7.376 0.051 17610 7688 1 9 . 1 1 21 21 GLY N N 15 109.392 109.392 109.244 0.148 17610 7689 1 9 . 1 1 21 21 GLY C C 15 173.254 173.254 175.128 -1.874 17610 7690 1 9 . 1 1 21 21 GLY CA C 15 45.708 45.708 45.566 0.141 17610 7691 1 9 . 1 1 21 21 GLY H H 15 8.388 8.388 8.479 -0.091 17610 7692 1 9 . 1 1 22 22 LYS N N 16 124.844 124.844 119.934 4.910 17610 7693 1 9 . 1 1 22 22 LYS HA H 16 3.537 3.537 3.927 -0.390 17610 7694 1 9 . 1 1 22 22 LYS C C 16 179.106 179.106 177.714 1.392 17610 7695 1 9 . 1 1 22 22 LYS CA C 16 60.990 60.990 59.696 1.294 17610 7696 1 9 . 1 1 22 22 LYS CB C 16 29.967 29.967 31.726 -1.759 17610 7697 1 9 . 1 1 22 22 LYS H H 16 9.097 9.097 8.345 0.752 17610 7698 1 9 . 1 1 23 23 SER N N 17 121.228 121.228 114.780 6.448 17610 7699 1 9 . 1 1 23 23 SER HA H 17 4.292 4.292 4.471 -0.179 17610 7700 1 9 . 1 1 23 23 SER C C 17 175.697 175.697 176.045 -0.348 17610 7701 1 9 . 1 1 23 23 SER CA C 17 61.346 61.346 60.739 0.607 17610 7702 1 9 . 1 1 23 23 SER CB C 17 61.337 61.337 62.047 -0.710 17610 7703 1 9 . 1 1 23 23 SER H H 17 9.546 9.546 8.531 1.015 17610 7704 1 9 . 1 1 24 24 ALA N N 18 126.557 126.557 124.353 2.204 17610 7705 1 9 . 1 1 24 24 ALA HA H 18 3.946 3.946 3.748 0.198 17610 7706 1 9 . 1 1 24 24 ALA C C 18 181.834 181.834 179.231 2.603 17610 7707 1 9 . 1 1 24 24 ALA CA C 18 54.587 54.587 53.948 0.639 17610 7708 1 9 . 1 1 24 24 ALA CB C 18 18.539 18.539 17.879 0.660 17610 7709 1 9 . 1 1 24 24 ALA H H 18 9.189 9.189 7.768 1.421 17610 7710 1 9 . 1 1 25 25 LEU N N 19 121.712 121.712 117.700 4.012 17610 7711 1 9 . 1 1 25 25 LEU HA H 19 3.878 3.878 3.764 0.114 17610 7712 1 9 . 1 1 25 25 LEU C C 19 177.485 177.485 179.059 -1.574 17610 7713 1 9 . 1 1 25 25 LEU CA C 19 58.729 58.729 57.823 0.906 17610 7714 1 9 . 1 1 25 25 LEU CB C 19 43.227 43.227 41.778 1.449 17610 7715 1 9 . 1 1 25 25 LEU H H 19 8.817 8.817 7.713 1.104 17610 7716 1 9 . 1 1 26 26 THR N N 20 118.148 118.148 116.960 1.188 17610 7717 1 9 . 1 1 26 26 THR HA H 20 3.401 3.401 4.219 -0.818 17610 7718 1 9 . 1 1 26 26 THR C C 20 175.714 175.714 176.783 -1.069 17610 7719 1 9 . 1 1 26 26 THR CA C 20 68.122 68.122 67.212 0.910 17610 7720 1 9 . 1 1 26 26 THR CB C 20 68.196 68.196 68.742 -0.546 17610 7721 1 9 . 1 1 26 26 THR H H 20 7.517 7.517 7.409 0.108 17610 7722 1 9 . 1 1 27 27 ILE N N 21 121.987 121.987 120.682 1.305 17610 7723 1 9 . 1 1 27 27 ILE HA H 21 3.302 3.302 3.481 -0.179 17610 7724 1 9 . 1 1 27 27 ILE C C 21 175.380 175.380 177.578 -2.198 17610 7725 1 9 . 1 1 27 27 ILE CA C 21 64.278 64.278 63.379 0.899 17610 7726 1 9 . 1 1 27 27 ILE CB C 21 36.758 36.758 36.790 -0.032 17610 7727 1 9 . 1 1 27 27 ILE H H 21 8.950 8.950 7.837 1.113 17610 7728 1 9 . 1 1 28 28 GLN N N 22 121.898 121.898 119.452 2.446 17610 7729 1 9 . 1 1 28 28 GLN HA H 22 4.334 4.334 3.806 0.528 17610 7730 1 9 . 1 1 28 28 GLN C C 22 179.058 179.058 178.408 0.650 17610 7731 1 9 . 1 1 28 28 GLN CA C 22 58.796 58.796 59.152 -0.356 17610 7732 1 9 . 1 1 28 28 GLN CB C 22 29.752 29.752 28.300 1.452 17610 7733 1 9 . 1 1 28 28 GLN H H 22 8.094 8.094 7.552 0.542 17610 7734 1 9 . 1 1 29 29 LEU N N 23 121.426 121.426 119.438 1.988 17610 7735 1 9 . 1 1 29 29 LEU HA H 23 3.765 3.765 3.929 -0.164 17610 7736 1 9 . 1 1 29 29 LEU C C 23 178.155 178.155 178.023 0.132 17610 7737 1 9 . 1 1 29 29 LEU CA C 23 58.304 58.304 56.668 1.636 17610 7738 1 9 . 1 1 29 29 LEU CB C 23 40.637 40.637 41.229 -0.592 17610 7739 1 9 . 1 1 29 29 LEU H H 23 7.746 7.746 7.512 0.234 17610 7740 1 9 . 1 1 30 30 ILE N N 24 115.325 115.325 119.187 -3.862 17610 7741 1 9 . 1 1 30 30 ILE HA H 24 3.697 3.697 3.841 -0.144 17610 7742 1 9 . 1 1 30 30 ILE C C 24 177.421 177.421 178.342 -0.921 17610 7743 1 9 . 1 1 30 30 ILE CA C 24 62.050 62.050 63.723 -1.673 17610 7744 1 9 . 1 1 30 30 ILE CB C 24 37.183 37.183 37.424 -0.241 17610 7745 1 9 . 1 1 30 30 ILE H H 24 8.115 8.115 7.565 0.550 17610 7746 1 9 . 1 1 31 31 GLN N N 25 117.213 117.213 117.762 -0.549 17610 7747 1 9 . 1 1 31 31 GLN HA H 25 4.539 4.539 4.150 0.389 17610 7748 1 9 . 1 1 31 31 GLN C C 25 176.149 176.149 175.938 0.211 17610 7749 1 9 . 1 1 31 31 GLN CA C 25 55.234 55.234 56.648 -1.414 17610 7750 1 9 . 1 1 31 31 GLN CB C 25 30.184 30.184 29.938 0.246 17610 7751 1 9 . 1 1 31 31 GLN H H 25 8.887 8.887 8.121 0.766 17610 7752 1 9 . 1 1 32 32 ASN N N 26 117.820 117.820 114.958 2.862 17610 7753 1 9 . 1 1 32 32 ASN HA H 26 4.807 4.807 4.432 0.375 17610 7754 1 9 . 1 1 32 32 ASN C C 26 174.051 174.051 174.083 -0.032 17610 7755 1 9 . 1 1 32 32 ASN CA C 26 54.310 54.310 54.036 0.274 17610 7756 1 9 . 1 1 32 32 ASN CB C 26 37.184 37.184 36.060 1.124 17610 7757 1 9 . 1 1 32 32 ASN H H 26 7.982 7.982 8.507 -0.525 17610 7758 1 9 . 1 1 33 33 HIS N N 27 112.968 112.968 112.516 0.452 17610 7759 1 9 . 1 1 33 33 HIS HA H 27 4.889 4.889 4.714 0.175 17610 7760 1 9 . 1 1 33 33 HIS C C 27 172.514 172.514 174.495 -1.981 17610 7761 1 9 . 1 1 33 33 HIS CA C 27 54.314 54.314 54.883 -0.569 17610 7762 1 9 . 1 1 33 33 HIS CB C 27 32.616 32.616 30.523 2.093 17610 7763 1 9 . 1 1 33 33 HIS H H 27 6.804 6.804 7.551 -0.747 17610 7764 1 9 . 1 1 34 34 PHE N N 28 123.605 123.605 118.604 5.001 17610 7765 1 9 . 1 1 34 34 PHE HA H 28 4.914 4.914 4.237 0.677 17610 7766 1 9 . 1 1 34 34 PHE C C 28 174.641 174.641 174.305 0.336 17610 7767 1 9 . 1 1 34 34 PHE CA C 28 55.754 55.754 59.041 -3.287 17610 7768 1 9 . 1 1 34 34 PHE CB C 28 40.573 40.573 39.018 1.555 17610 7769 1 9 . 1 1 34 34 PHE H H 28 8.462 8.462 7.698 0.764 17610 7770 1 9 . 1 1 35 35 VAL N N 29 126.695 126.695 126.295 0.400 17610 7771 1 9 . 1 1 35 35 VAL HA H 29 3.911 3.911 4.034 -0.123 17610 7772 1 9 . 1 1 35 35 VAL C C 29 173.764 173.764 175.535 -1.771 17610 7773 1 9 . 1 1 35 35 VAL CA C 29 61.275 61.275 64.734 -3.459 17610 7774 1 9 . 1 1 35 35 VAL CB C 29 33.154 33.154 32.150 1.004 17610 7775 1 9 . 1 1 35 35 VAL H H 29 7.537 7.537 8.445 -0.908 17610 7776 1 9 . 1 1 36 36 ASP N N 30 123.271 123.271 124.808 -1.537 17610 7777 1 9 . 1 1 36 36 ASP HA H 30 4.185 4.185 4.819 -0.634 17610 7778 1 9 . 1 1 36 36 ASP C C 30 176.129 176.129 175.338 0.791 17610 7779 1 9 . 1 1 36 36 ASP CA C 30 54.662 54.662 54.916 -0.254 17610 7780 1 9 . 1 1 36 36 ASP CB C 30 41.323 41.323 41.471 -0.148 17610 7781 1 9 . 1 1 36 36 ASP H H 30 7.618 7.618 8.991 -1.373 17610 7782 1 9 . 1 1 37 37 GLU N N 31 119.730 119.730 121.697 -1.967 17610 7783 1 9 . 1 1 37 37 GLU HA H 31 4.262 4.262 4.654 -0.392 17610 7784 1 9 . 1 1 37 37 GLU C C 31 174.901 174.901 175.022 -0.121 17610 7785 1 9 . 1 1 37 37 GLU CA C 31 56.137 56.137 55.885 0.252 17610 7786 1 9 . 1 1 37 37 GLU CB C 31 30.459 30.459 27.820 2.639 17610 7787 1 9 . 1 1 37 37 GLU H H 31 7.857 7.857 8.761 -0.904 17610 7788 1 9 . 1 1 38 38 TYR N N 32 123.296 123.296 118.890 4.406 17610 7789 1 9 . 1 1 38 38 TYR HA H 32 4.486 4.486 4.958 -0.472 17610 7790 1 9 . 1 1 38 38 TYR C C 32 174.370 174.370 174.006 0.364 17610 7791 1 9 . 1 1 38 38 TYR CA C 32 57.511 57.511 57.381 0.130 17610 7792 1 9 . 1 1 38 38 TYR CB C 32 39.199 39.199 40.010 -0.811 17610 7793 1 9 . 1 1 38 38 TYR H H 32 8.244 8.244 7.814 0.430 17610 7794 1 9 . 1 1 39 39 ASP N N 33 127.452 127.452 124.357 3.095 17610 7795 1 9 . 1 1 39 39 ASP HA H 33 4.891 4.891 4.975 -0.084 17610 7796 1 9 . 1 1 39 39 ASP CA C 33 51.207 51.207 50.010 1.197 17610 7797 1 9 . 1 1 39 39 ASP CB C 33 41.837 41.837 42.764 -0.927 17610 7798 1 9 . 1 1 39 39 ASP H H 33 8.158 8.158 8.472 -0.314 17610 7799 1 9 . 1 1 40 40 PRO HA H 34 4.405 4.405 4.645 -0.240 17610 7800 1 9 . 1 1 40 40 PRO C C 34 176.938 176.938 177.368 -0.430 17610 7801 1 9 . 1 1 40 40 PRO CA C 34 63.068 63.068 62.761 0.306 17610 7802 1 9 . 1 1 40 40 PRO CB C 34 32.089 32.089 32.459 -0.370 17610 7803 1 9 . 1 1 41 41 SER N N 35 117.575 117.575 112.126 5.449 17610 7804 1 9 . 1 1 41 41 SER HA H 35 4.433 4.433 4.236 0.197 17610 7805 1 9 . 1 1 41 41 SER C C 35 174.777 174.777 174.121 0.656 17610 7806 1 9 . 1 1 41 41 SER CA C 35 58.346 58.346 59.672 -1.326 17610 7807 1 9 . 1 1 41 41 SER CB C 35 63.704 63.704 62.379 1.325 17610 7808 1 9 . 1 1 41 41 SER H H 35 8.495 8.495 8.842 -0.347 17610 7809 1 9 . 1 1 42 42 ILE N N 36 123.018 123.018 114.965 8.053 17610 7810 1 9 . 1 1 42 42 ILE HA H 36 4.219 4.219 4.409 -0.190 17610 7811 1 9 . 1 1 42 42 ILE C C 36 175.966 175.966 175.608 0.358 17610 7812 1 9 . 1 1 42 42 ILE CA C 36 61.665 61.665 60.666 0.999 17610 7813 1 9 . 1 1 42 42 ILE CB C 36 38.745 38.745 39.130 -0.385 17610 7814 1 9 . 1 1 42 42 ILE H H 36 7.919 7.919 7.469 0.450 17610 7815 1 9 . 1 1 43 43 GLU N N 37 124.699 124.699 121.069 3.630 17610 7816 1 9 . 1 1 43 43 GLU HA H 37 4.381 4.381 3.881 0.500 17610 7817 1 9 . 1 1 43 43 GLU C C 37 179.069 179.069 175.098 3.971 17610 7818 1 9 . 1 1 43 43 GLU CA C 37 56.223 56.223 57.822 -1.599 17610 7819 1 9 . 1 1 43 43 GLU CB C 37 30.616 30.616 27.840 2.776 17610 7820 1 9 . 1 1 43 43 GLU H H 37 8.201 8.201 8.364 -0.163 17610 7821 1 9 . 1 1 44 44 ASP N N 38 121.902 121.902 115.686 6.216 17610 7822 1 9 . 1 1 44 44 ASP HA H 38 4.622 4.622 4.101 0.521 17610 7823 1 9 . 1 1 44 44 ASP C C 38 174.634 174.634 174.800 -0.166 17610 7824 1 9 . 1 1 44 44 ASP CA C 38 54.095 54.095 55.511 -1.416 17610 7825 1 9 . 1 1 44 44 ASP CB C 38 41.837 41.837 39.652 2.185 17610 7826 1 9 . 1 1 44 44 ASP H H 38 8.094 8.094 8.400 -0.306 17610 7827 1 9 . 1 1 45 45 SER N N 39 114.779 114.779 112.569 2.210 17610 7828 1 9 . 1 1 45 45 SER HA H 39 4.923 4.923 4.806 0.117 17610 7829 1 9 . 1 1 45 45 SER C C 39 173.339 173.339 172.554 0.785 17610 7830 1 9 . 1 1 45 45 SER CA C 39 57.023 57.023 57.027 -0.004 17610 7831 1 9 . 1 1 45 45 SER CB C 39 64.751 64.751 65.307 -0.556 17610 7832 1 9 . 1 1 45 45 SER H H 39 7.792 7.792 7.080 0.712 17610 7833 1 9 . 1 1 46 46 TYR N N 40 124.235 124.235 121.855 2.380 17610 7834 1 9 . 1 1 46 46 TYR HA H 40 4.662 4.662 4.802 -0.140 17610 7835 1 9 . 1 1 46 46 TYR C C 40 173.910 173.910 173.697 0.213 17610 7836 1 9 . 1 1 46 46 TYR CA C 40 56.944 56.944 57.028 -0.084 17610 7837 1 9 . 1 1 46 46 TYR CB C 40 41.323 41.323 42.449 -1.126 17610 7838 1 9 . 1 1 46 46 TYR H H 40 8.976 8.976 8.392 0.584 17610 7839 1 9 . 1 1 47 47 ARG N N 41 121.906 121.906 121.544 0.362 17610 7840 1 9 . 1 1 47 47 ARG HA H 41 5.802 5.802 5.138 0.664 17610 7841 1 9 . 1 1 47 47 ARG C C 41 176.150 176.150 174.900 1.250 17610 7842 1 9 . 1 1 47 47 ARG CA C 41 54.129 54.129 54.286 -0.157 17610 7843 1 9 . 1 1 47 47 ARG CB C 41 34.105 34.105 32.594 1.511 17610 7844 1 9 . 1 1 47 47 ARG H H 41 8.238 8.238 8.616 -0.378 17610 7845 1 9 . 1 1 48 48 LYS N N 42 123.924 123.924 124.001 -0.077 17610 7846 1 9 . 1 1 48 48 LYS HA H 42 4.508 4.508 4.562 -0.054 17610 7847 1 9 . 1 1 48 48 LYS C C 42 173.710 173.710 175.130 -1.420 17610 7848 1 9 . 1 1 48 48 LYS CA C 42 55.651 55.651 54.576 1.075 17610 7849 1 9 . 1 1 48 48 LYS CB C 42 38.139 38.139 35.770 2.369 17610 7850 1 9 . 1 1 48 48 LYS H H 42 8.705 8.705 8.082 0.623 17610 7851 1 9 . 1 1 49 49 GLN N N 43 130.301 130.301 125.592 4.709 17610 7852 1 9 . 1 1 49 49 GLN HA H 43 5.230 5.230 4.337 0.893 17610 7853 1 9 . 1 1 49 49 GLN C C 43 175.254 175.254 175.022 0.232 17610 7854 1 9 . 1 1 49 49 GLN CA C 43 55.496 55.496 56.018 -0.522 17610 7855 1 9 . 1 1 49 49 GLN CB C 43 29.892 29.892 29.166 0.726 17610 7856 1 9 . 1 1 49 49 GLN H H 43 8.897 8.897 8.633 0.264 17610 7857 1 9 . 1 1 50 50 VAL N N 44 122.354 122.354 120.941 1.413 17610 7858 1 9 . 1 1 50 50 VAL HA H 44 4.772 4.772 4.691 0.081 17610 7859 1 9 . 1 1 50 50 VAL C C 44 173.116 173.116 173.340 -0.224 17610 7860 1 9 . 1 1 50 50 VAL CA C 44 59.238 59.238 59.380 -0.142 17610 7861 1 9 . 1 1 50 50 VAL CB C 44 35.888 35.888 35.869 0.019 17610 7862 1 9 . 1 1 50 50 VAL H H 44 9.104 9.104 8.873 0.231 17610 7863 1 9 . 1 1 51 51 VAL N N 45 122.385 122.385 120.568 1.817 17610 7864 1 9 . 1 1 51 51 VAL HA H 45 4.462 4.462 4.496 -0.034 17610 7865 1 9 . 1 1 51 51 VAL C C 45 175.450 175.450 175.620 -0.170 17610 7866 1 9 . 1 1 51 51 VAL CA C 45 61.832 61.832 60.968 0.864 17610 7867 1 9 . 1 1 51 51 VAL CB C 45 32.228 32.228 31.647 0.581 17610 7868 1 9 . 1 1 51 51 VAL H H 45 8.100 8.100 8.555 -0.455 17610 7869 1 9 . 1 1 52 52 ILE N N 46 126.953 126.953 129.263 -2.310 17610 7870 1 9 . 1 1 52 52 ILE HA H 46 3.995 3.995 3.923 0.072 17610 7871 1 9 . 1 1 52 52 ILE C C 46 176.424 176.424 176.493 -0.069 17610 7872 1 9 . 1 1 52 52 ILE CA C 46 60.343 60.343 60.034 0.309 17610 7873 1 9 . 1 1 52 52 ILE CB C 46 40.096 40.096 35.936 4.160 17610 7874 1 9 . 1 1 52 52 ILE H H 46 8.118 8.118 8.719 -0.601 17610 7875 1 9 . 1 1 53 53 ASP N N 47 132.206 132.206 129.593 2.613 17610 7876 1 9 . 1 1 53 53 ASP HA H 47 4.267 4.267 4.263 0.004 17610 7877 1 9 . 1 1 53 53 ASP C C 47 176.121 176.121 176.337 -0.216 17610 7878 1 9 . 1 1 53 53 ASP CA C 47 55.267 55.267 54.821 0.446 17610 7879 1 9 . 1 1 53 53 ASP CB C 47 39.203 39.203 39.816 -0.613 17610 7880 1 9 . 1 1 53 53 ASP H H 47 9.605 9.605 8.933 0.672 17610 7881 1 9 . 1 1 54 54 GLY N N 48 104.275 104.275 103.914 0.361 17610 7882 1 9 . 1 1 54 54 GLY C C 48 173.219 173.219 173.710 -0.491 17610 7883 1 9 . 1 1 54 54 GLY CA C 48 45.318 45.318 44.992 0.326 17610 7884 1 9 . 1 1 54 54 GLY H H 48 8.332 8.332 8.039 0.293 17610 7885 1 9 . 1 1 55 55 GLU N N 49 123.384 123.384 122.066 1.318 17610 7886 1 9 . 1 1 55 55 GLU HA H 49 4.691 4.691 4.570 0.121 17610 7887 1 9 . 1 1 55 55 GLU C C 49 175.614 175.614 175.845 -0.231 17610 7888 1 9 . 1 1 55 55 GLU CA C 49 54.719 54.719 54.091 0.628 17610 7889 1 9 . 1 1 55 55 GLU CB C 49 31.803 31.803 30.421 1.382 17610 7890 1 9 . 1 1 55 55 GLU H H 49 7.684 7.684 7.794 -0.110 17610 7891 1 9 . 1 1 56 56 THR N N 50 127.153 127.153 124.259 2.894 17610 7892 1 9 . 1 1 56 56 THR HA H 50 4.727 4.727 4.517 0.210 17610 7893 1 9 . 1 1 56 56 THR C C 50 173.530 173.530 173.914 -0.384 17610 7894 1 9 . 1 1 56 56 THR CA C 50 63.521 63.521 64.672 -1.151 17610 7895 1 9 . 1 1 56 56 THR CB C 50 68.478 68.478 68.893 -0.415 17610 7896 1 9 . 1 1 56 56 THR H H 50 8.951 8.951 8.657 0.294 17610 7897 1 9 . 1 1 57 57 CYS N N 51 124.835 124.835 123.851 0.984 17610 7898 1 9 . 1 1 57 57 CYS HA H 51 5.086 5.086 4.780 0.306 17610 7899 1 9 . 1 1 57 57 CYS C C 51 170.937 170.937 173.415 -2.478 17610 7900 1 9 . 1 1 57 57 CYS CA C 51 56.423 56.423 57.892 -1.469 17610 7901 1 9 . 1 1 57 57 CYS CB C 51 31.549 31.549 31.768 -0.219 17610 7902 1 9 . 1 1 57 57 CYS H H 51 9.424 9.424 9.231 0.193 17610 7903 1 9 . 1 1 58 58 LEU N N 52 123.111 123.111 122.244 0.867 17610 7904 1 9 . 1 1 58 58 LEU HA H 52 4.943 4.943 4.958 -0.015 17610 7905 1 9 . 1 1 58 58 LEU C C 52 175.044 175.044 176.646 -1.602 17610 7906 1 9 . 1 1 58 58 LEU CA C 52 53.372 53.372 54.703 -1.331 17610 7907 1 9 . 1 1 58 58 LEU CB C 52 44.304 44.304 43.278 1.026 17610 7908 1 9 . 1 1 58 58 LEU H H 52 8.803 8.803 9.138 -0.335 17610 7909 1 9 . 1 1 59 59 LEU N N 53 124.540 124.540 122.509 2.031 17610 7910 1 9 . 1 1 59 59 LEU HA H 53 4.888 4.888 4.724 0.164 17610 7911 1 9 . 1 1 59 59 LEU C C 53 174.358 174.358 175.729 -1.371 17610 7912 1 9 . 1 1 59 59 LEU CA C 53 53.490 53.490 53.851 -0.361 17610 7913 1 9 . 1 1 59 59 LEU CB C 53 42.195 42.195 42.225 -0.030 17610 7914 1 9 . 1 1 59 59 LEU H H 53 9.054 9.054 8.836 0.218 17610 7915 1 9 . 1 1 60 60 ASP N N 54 126.666 126.666 125.181 1.485 17610 7916 1 9 . 1 1 60 60 ASP HA H 54 5.225 5.225 4.749 0.476 17610 7917 1 9 . 1 1 60 60 ASP C C 54 174.846 174.846 175.517 -0.671 17610 7918 1 9 . 1 1 60 60 ASP CA C 54 53.040 53.040 53.987 -0.947 17610 7919 1 9 . 1 1 60 60 ASP CB C 54 42.622 42.622 40.776 1.846 17610 7920 1 9 . 1 1 60 60 ASP H H 54 8.739 8.739 8.572 0.167 17610 7921 1 9 . 1 1 61 61 ILE N N 55 125.100 125.100 125.902 -0.802 17610 7922 1 9 . 1 1 61 61 ILE HA H 55 4.690 4.690 4.015 0.675 17610 7923 1 9 . 1 1 61 61 ILE C C 55 174.745 174.745 174.866 -0.121 17610 7924 1 9 . 1 1 61 61 ILE CA C 55 60.331 60.331 59.436 0.895 17610 7925 1 9 . 1 1 61 61 ILE CB C 55 39.682 39.682 36.313 3.369 17610 7926 1 9 . 1 1 61 61 ILE H H 55 9.115 9.115 9.170 -0.055 17610 7927 1 9 . 1 1 62 62 LEU N N 56 131.208 131.208 129.960 1.248 17610 7928 1 9 . 1 1 62 62 LEU HA H 56 4.667 4.667 4.363 0.304 17610 7929 1 9 . 1 1 62 62 LEU C C 56 174.063 174.063 174.462 -0.399 17610 7930 1 9 . 1 1 62 62 LEU CA C 56 53.795 53.795 53.468 0.327 17610 7931 1 9 . 1 1 62 62 LEU CB C 56 42.256 42.256 42.110 0.146 17610 7932 1 9 . 1 1 62 62 LEU H H 56 9.014 9.014 8.853 0.161 17610 7933 1 9 . 1 1 63 63 ASP N N 57 128.415 128.415 127.772 0.643 17610 7934 1 9 . 1 1 63 63 ASP HA H 57 4.783 4.783 4.714 0.069 17610 7935 1 9 . 1 1 63 63 ASP C C 57 176.341 176.341 175.810 0.531 17610 7936 1 9 . 1 1 63 63 ASP CA C 57 52.988 52.988 52.856 0.132 17610 7937 1 9 . 1 1 63 63 ASP CB C 57 41.837 41.837 42.706 -0.869 17610 7938 1 9 . 1 1 63 63 ASP H H 57 8.657 8.657 7.995 0.662 17610 7939 1 9 . 1 1 64 64 THR N N 58 114.950 114.950 117.072 -2.122 17610 7940 1 9 . 1 1 64 64 THR HA H 58 4.425 4.425 4.240 0.185 17610 7941 1 9 . 1 1 64 64 THR C C 58 172.734 172.734 173.801 -1.067 17610 7942 1 9 . 1 1 64 64 THR CA C 58 61.488 61.488 61.011 0.477 17610 7943 1 9 . 1 1 64 64 THR CB C 58 71.398 71.398 70.571 0.827 17610 7944 1 9 . 1 1 64 64 THR H H 58 7.369 7.369 7.748 -0.379 17610 7945 1 9 . 1 1 65 65 ALA N N 59 123.940 123.940 122.414 1.526 17610 7946 1 9 . 1 1 65 65 ALA HA H 59 4.764 4.764 4.491 0.273 17610 7947 1 9 . 1 1 65 65 ALA C C 59 179.480 179.480 178.138 1.342 17610 7948 1 9 . 1 1 65 65 ALA CA C 59 51.422 51.422 52.560 -1.138 17610 7949 1 9 . 1 1 65 65 ALA CB C 59 20.796 20.796 20.010 0.786 17610 7950 1 9 . 1 1 65 65 ALA H H 59 8.329 8.329 8.216 0.113 17610 7951 1 9 . 1 1 66 66 GLY N N 60 112.527 112.527 105.934 6.593 17610 7952 1 9 . 1 1 66 66 GLY C C 60 174.938 174.938 175.261 -0.323 17610 7953 1 9 . 1 1 66 66 GLY CA C 60 46.057 46.057 46.149 -0.092 17610 7954 1 9 . 1 1 66 66 GLY H H 60 9.397 9.397 8.841 0.556 17610 7955 1 9 . 1 1 67 67 GLN N N 61 120.877 120.877 118.241 2.636 17610 7956 1 9 . 1 1 67 67 GLN HA H 61 4.422 4.422 4.514 -0.092 17610 7957 1 9 . 1 1 67 67 GLN C C 61 176.298 176.298 176.595 -0.297 17610 7958 1 9 . 1 1 67 67 GLN CA C 61 56.355 56.355 55.829 0.526 17610 7959 1 9 . 1 1 67 67 GLN CB C 61 29.438 29.438 28.869 0.569 17610 7960 1 9 . 1 1 67 67 GLN H H 61 8.237 8.237 8.104 0.133 17610 7961 1 9 . 1 1 68 68 GLU N N 62 123.751 123.751 123.122 0.629 17610 7962 1 9 . 1 1 68 68 GLU HA H 62 4.208 4.208 4.180 0.028 17610 7963 1 9 . 1 1 68 68 GLU C C 62 177.032 177.032 176.067 0.965 17610 7964 1 9 . 1 1 68 68 GLU CA C 62 57.801 57.801 56.690 1.111 17610 7965 1 9 . 1 1 68 68 GLU CB C 62 29.834 29.834 29.592 0.242 17610 7966 1 9 . 1 1 68 68 GLU H H 62 8.738 8.738 8.479 0.259 17610 7967 1 9 . 1 1 69 69 GLU N N 63 121.861 121.861 124.371 -2.510 17610 7968 1 9 . 1 1 69 69 GLU HA H 63 4.228 4.228 4.215 0.013 17610 7969 1 9 . 1 1 69 69 GLU C C 63 176.145 176.145 175.339 0.806 17610 7970 1 9 . 1 1 69 69 GLU CA C 63 57.026 57.026 57.126 -0.100 17610 7971 1 9 . 1 1 69 69 GLU CB C 63 30.231 30.231 29.509 0.722 17610 7972 1 9 . 1 1 69 69 GLU H H 63 8.607 8.607 8.599 0.008 17610 7973 1 9 . 1 1 70 70 TYR N N 64 121.801 121.801 124.767 -2.966 17610 7974 1 9 . 1 1 70 70 TYR HA H 64 4.587 4.587 4.752 -0.165 17610 7975 1 9 . 1 1 70 70 TYR C C 64 175.965 175.965 174.407 1.558 17610 7976 1 9 . 1 1 70 70 TYR CA C 64 58.160 58.160 57.952 0.208 17610 7977 1 9 . 1 1 70 70 TYR CB C 64 38.288 38.288 41.394 -3.106 17610 7978 1 9 . 1 1 70 70 TYR H H 64 8.225 8.225 8.164 0.061 17610 7979 1 9 . 1 1 71 71 SER N N 65 120.137 120.137 121.613 -1.476 17610 7980 1 9 . 1 1 71 71 SER HA H 65 4.269 4.269 4.525 -0.256 17610 7981 1 9 . 1 1 71 71 SER C C 65 174.912 174.912 175.799 -0.887 17610 7982 1 9 . 1 1 71 71 SER CA C 65 58.755 58.755 58.878 -0.123 17610 7983 1 9 . 1 1 71 71 SER CB C 65 63.755 63.755 64.327 -0.572 17610 7984 1 9 . 1 1 71 71 SER H H 65 7.884 7.884 8.518 -0.634 17610 7985 1 9 . 1 1 72 72 ALA N N 66 127.848 127.848 124.796 3.052 17610 7986 1 9 . 1 1 72 72 ALA HA H 66 4.193 4.193 4.078 0.115 17610 7987 1 9 . 1 1 72 72 ALA C C 66 179.820 179.820 179.666 0.154 17610 7988 1 9 . 1 1 72 72 ALA CA C 66 54.595 54.595 55.398 -0.803 17610 7989 1 9 . 1 1 72 72 ALA CB C 66 18.264 18.264 18.376 -0.112 17610 7990 1 9 . 1 1 72 72 ALA H H 66 8.706 8.706 8.367 0.339 17610 7991 1 9 . 1 1 73 73 MET N N 67 118.448 118.448 116.582 1.866 17610 7992 1 9 . 1 1 73 73 MET HA H 67 4.271 4.271 4.245 0.026 17610 7993 1 9 . 1 1 73 73 MET C C 67 177.098 177.098 177.876 -0.778 17610 7994 1 9 . 1 1 73 73 MET CA C 67 56.915 56.915 58.276 -1.361 17610 7995 1 9 . 1 1 73 73 MET CB C 67 32.031 32.031 32.298 -0.267 17610 7996 1 9 . 1 1 73 73 MET H H 67 8.007 8.007 7.998 0.009 17610 7997 1 9 . 1 1 74 74 ARG N N 68 121.351 121.351 119.498 1.853 17610 7998 1 9 . 1 1 74 74 ARG HA H 68 3.793 3.793 4.070 -0.277 17610 7999 1 9 . 1 1 74 74 ARG C C 68 177.730 177.730 178.559 -0.829 17610 8000 1 9 . 1 1 74 74 ARG CA C 68 59.093 59.093 59.491 -0.398 17610 8001 1 9 . 1 1 74 74 ARG CB C 68 30.118 30.118 29.740 0.378 17610 8002 1 9 . 1 1 74 74 ARG H H 68 7.761 7.761 8.179 -0.418 17610 8003 1 9 . 1 1 75 75 ASP N N 69 119.938 119.938 119.091 0.847 17610 8004 1 9 . 1 1 75 75 ASP HA H 69 4.286 4.286 4.503 -0.217 17610 8005 1 9 . 1 1 75 75 ASP C C 69 177.998 177.998 177.972 0.026 17610 8006 1 9 . 1 1 75 75 ASP CA C 69 57.555 57.555 57.981 -0.426 17610 8007 1 9 . 1 1 75 75 ASP CB C 69 40.401 40.401 40.895 -0.494 17610 8008 1 9 . 1 1 75 75 ASP H H 69 8.077 8.077 7.824 0.253 17610 8009 1 9 . 1 1 76 76 GLN N N 70 119.151 119.151 119.866 -0.715 17610 8010 1 9 . 1 1 76 76 GLN HA H 70 4.050 4.050 3.947 0.103 17610 8011 1 9 . 1 1 76 76 GLN C C 70 178.837 178.837 178.189 0.648 17610 8012 1 9 . 1 1 76 76 GLN CA C 70 58.920 58.920 58.772 0.148 17610 8013 1 9 . 1 1 76 76 GLN CB C 70 28.063 28.063 28.270 -0.207 17610 8014 1 9 . 1 1 76 76 GLN H H 70 7.789 7.789 7.372 0.417 17610 8015 1 9 . 1 1 77 77 TYR N N 71 119.847 119.847 119.706 0.141 17610 8016 1 9 . 1 1 77 77 TYR HA H 71 4.548 4.548 4.374 0.174 17610 8017 1 9 . 1 1 77 77 TYR C C 71 178.680 178.680 178.349 0.331 17610 8018 1 9 . 1 1 77 77 TYR CA C 71 58.785 58.785 59.504 -0.719 17610 8019 1 9 . 1 1 77 77 TYR CB C 71 36.986 36.986 37.901 -0.915 17610 8020 1 9 . 1 1 77 77 TYR H H 71 8.131 8.131 7.253 0.878 17610 8021 1 9 . 1 1 78 78 MET N N 72 119.987 119.987 117.332 2.655 17610 8022 1 9 . 1 1 78 78 MET HA H 72 4.402 4.402 4.203 0.199 17610 8023 1 9 . 1 1 78 78 MET C C 72 177.008 177.008 179.085 -2.077 17610 8024 1 9 . 1 1 78 78 MET CA C 72 59.028 59.028 59.672 -0.644 17610 8025 1 9 . 1 1 78 78 MET CB C 72 32.709 32.709 32.337 0.372 17610 8026 1 9 . 1 1 78 78 MET H H 72 8.380 8.380 7.660 0.720 17610 8027 1 9 . 1 1 79 79 ARG N N 73 117.792 117.792 116.055 1.737 17610 8028 1 9 . 1 1 79 79 ARG HA H 73 3.914 3.914 4.195 -0.281 17610 8029 1 9 . 1 1 79 79 ARG C C 73 178.169 178.169 177.444 0.725 17610 8030 1 9 . 1 1 79 79 ARG CA C 73 59.493 59.493 58.629 0.864 17610 8031 1 9 . 1 1 79 79 ARG CB C 73 30.100 30.100 30.480 -0.380 17610 8032 1 9 . 1 1 79 79 ARG H H 73 7.992 7.992 7.773 0.219 17610 8033 1 9 . 1 1 80 80 THR N N 74 110.012 110.012 106.652 3.360 17610 8034 1 9 . 1 1 80 80 THR HA H 74 4.242 4.242 4.424 -0.182 17610 8035 1 9 . 1 1 80 80 THR C C 74 175.640 175.640 174.430 1.210 17610 8036 1 9 . 1 1 80 80 THR CA C 74 62.863 62.863 61.656 1.208 17610 8037 1 9 . 1 1 80 80 THR CB C 74 69.808 69.808 69.684 0.124 17610 8038 1 9 . 1 1 80 80 THR H H 74 7.718 7.718 7.257 0.461 17610 8039 1 9 . 1 1 81 81 GLY N N 75 109.297 109.297 109.303 -0.006 17610 8040 1 9 . 1 1 81 81 GLY C C 75 172.419 172.419 173.558 -1.139 17610 8041 1 9 . 1 1 81 81 GLY CA C 75 46.504 46.504 43.889 2.615 17610 8042 1 9 . 1 1 81 81 GLY H H 75 7.852 7.852 7.466 0.386 17610 8043 1 9 . 1 1 82 82 GLU N N 76 122.399 122.399 121.220 1.179 17610 8044 1 9 . 1 1 82 82 GLU HA H 76 4.523 4.523 4.339 0.184 17610 8045 1 9 . 1 1 82 82 GLU C C 76 176.409 176.409 175.663 0.746 17610 8046 1 9 . 1 1 82 82 GLU CA C 76 56.469 56.469 57.821 -1.352 17610 8047 1 9 . 1 1 82 82 GLU CB C 76 32.049 32.049 31.031 1.018 17610 8048 1 9 . 1 1 82 82 GLU H H 76 8.879 8.879 8.172 0.707 17610 8049 1 9 . 1 1 83 83 GLY N N 77 102.282 102.282 104.571 -2.289 17610 8050 1 9 . 1 1 83 83 GLY C C 77 170.803 170.803 171.599 -0.796 17610 8051 1 9 . 1 1 83 83 GLY CA C 77 45.453 45.453 44.923 0.530 17610 8052 1 9 . 1 1 83 83 GLY H H 77 7.192 7.192 7.269 -0.077 17610 8053 1 9 . 1 1 84 84 PHE N N 78 122.648 122.648 117.565 5.083 17610 8054 1 9 . 1 1 84 84 PHE HA H 78 5.448 5.448 5.384 0.064 17610 8055 1 9 . 1 1 84 84 PHE C C 78 173.734 173.734 173.930 -0.196 17610 8056 1 9 . 1 1 84 84 PHE CA C 78 57.065 57.065 56.597 0.468 17610 8057 1 9 . 1 1 84 84 PHE CB C 78 42.997 42.997 43.799 -0.802 17610 8058 1 9 . 1 1 84 84 PHE H H 78 8.224 8.224 8.368 -0.144 17610 8059 1 9 . 1 1 85 85 LEU N N 79 127.298 127.298 122.251 5.047 17610 8060 1 9 . 1 1 85 85 LEU HA H 79 4.690 4.690 5.334 -0.644 17610 8061 1 9 . 1 1 85 85 LEU C C 79 174.690 174.690 174.874 -0.184 17610 8062 1 9 . 1 1 85 85 LEU CA C 79 53.981 53.981 53.437 0.544 17610 8063 1 9 . 1 1 85 85 LEU CB C 79 43.058 43.058 46.214 -3.156 17610 8064 1 9 . 1 1 85 85 LEU H H 79 9.189 9.189 9.109 0.080 17610 8065 1 9 . 1 1 86 86 CYS N N 80 125.581 125.581 125.678 -0.097 17610 8066 1 9 . 1 1 86 86 CYS HA H 80 4.689 4.689 4.802 -0.113 17610 8067 1 9 . 1 1 86 86 CYS C C 80 172.664 172.664 173.916 -1.252 17610 8068 1 9 . 1 1 86 86 CYS CA C 80 57.767 57.767 58.299 -0.532 17610 8069 1 9 . 1 1 86 86 CYS CB C 80 27.397 27.397 28.446 -1.049 17610 8070 1 9 . 1 1 86 86 CYS H H 80 8.720 8.720 9.231 -0.511 17610 8071 1 9 . 1 1 87 87 VAL N N 81 127.252 127.252 128.084 -0.832 17610 8072 1 9 . 1 1 87 87 VAL HA H 81 4.983 4.983 4.705 0.278 17610 8073 1 9 . 1 1 87 87 VAL C C 81 175.119 175.119 175.057 0.062 17610 8074 1 9 . 1 1 87 87 VAL CA C 81 61.275 61.275 61.910 -0.635 17610 8075 1 9 . 1 1 87 87 VAL CB C 81 33.407 33.407 32.063 1.344 17610 8076 1 9 . 1 1 87 87 VAL H H 81 9.028 9.028 8.323 0.705 17610 8077 1 9 . 1 1 88 88 PHE N N 82 125.157 125.157 126.650 -1.493 17610 8078 1 9 . 1 1 88 88 PHE HA H 82 4.992 4.992 5.159 -0.167 17610 8079 1 9 . 1 1 88 88 PHE C C 82 171.162 171.162 172.995 -1.833 17610 8080 1 9 . 1 1 88 88 PHE CA C 82 55.349 55.349 55.034 0.315 17610 8081 1 9 . 1 1 88 88 PHE CB C 82 40.430 40.430 42.838 -2.408 17610 8082 1 9 . 1 1 88 88 PHE H H 82 9.306 9.306 8.954 0.352 17610 8083 1 9 . 1 1 89 89 ALA N N 83 122.321 122.321 124.862 -2.541 17610 8084 1 9 . 1 1 89 89 ALA HA H 83 5.082 5.082 4.469 0.613 17610 8085 1 9 . 1 1 89 89 ALA C C 83 179.267 179.267 178.261 1.006 17610 8086 1 9 . 1 1 89 89 ALA CA C 83 49.635 49.635 49.732 -0.097 17610 8087 1 9 . 1 1 89 89 ALA CB C 83 21.739 21.739 19.513 2.226 17610 8088 1 9 . 1 1 89 89 ALA H H 83 8.692 8.692 8.213 0.479 17610 8089 1 9 . 1 1 90 90 ILE N N 84 114.459 114.459 120.205 -5.746 17610 8090 1 9 . 1 1 90 90 ILE HA H 84 4.054 4.054 3.514 0.540 17610 8091 1 9 . 1 1 90 90 ILE C C 84 174.164 174.164 176.301 -2.137 17610 8092 1 9 . 1 1 90 90 ILE CA C 84 63.169 63.169 64.032 -0.863 17610 8093 1 9 . 1 1 90 90 ILE CB C 84 38.174 38.174 37.348 0.826 17610 8094 1 9 . 1 1 90 90 ILE H H 84 8.461 8.461 7.448 1.013 17610 8095 1 9 . 1 1 91 91 ASN N N 85 118.240 118.240 117.257 0.983 17610 8096 1 9 . 1 1 91 91 ASN HA H 85 5.049 5.049 4.623 0.426 17610 8097 1 9 . 1 1 91 91 ASN C C 85 174.583 174.583 174.558 0.025 17610 8098 1 9 . 1 1 91 91 ASN CA C 85 52.161 52.161 53.989 -1.828 17610 8099 1 9 . 1 1 91 91 ASN CB C 85 38.132 38.132 38.521 -0.389 17610 8100 1 9 . 1 1 91 91 ASN H H 85 7.906 7.906 8.541 -0.635 17610 8101 1 9 . 1 1 92 92 ASN N N 86 120.345 120.345 118.697 1.648 17610 8102 1 9 . 1 1 92 92 ASN HA H 86 5.080 5.080 5.041 0.039 17610 8103 1 9 . 1 1 92 92 ASN C C 86 175.090 175.090 175.134 -0.044 17610 8104 1 9 . 1 1 92 92 ASN CA C 86 52.041 52.041 52.679 -0.638 17610 8105 1 9 . 1 1 92 92 ASN CB C 86 39.203 39.203 41.069 -1.866 17610 8106 1 9 . 1 1 92 92 ASN H H 86 7.931 7.931 7.675 0.256 17610 8107 1 9 . 1 1 93 93 THR N N 87 125.665 125.665 119.519 6.146 17610 8108 1 9 . 1 1 93 93 THR HA H 87 3.772 3.772 4.239 -0.467 17610 8109 1 9 . 1 1 93 93 THR C C 87 176.012 176.012 176.126 -0.114 17610 8110 1 9 . 1 1 93 93 THR CA C 87 66.753 66.753 66.425 0.328 17610 8111 1 9 . 1 1 93 93 THR CB C 87 68.400 68.400 69.189 -0.789 17610 8112 1 9 . 1 1 93 93 THR H H 87 9.272 9.272 8.798 0.474 17610 8113 1 9 . 1 1 94 94 LYS N N 88 125.404 125.404 121.478 3.926 17610 8114 1 9 . 1 1 94 94 LYS HA H 88 4.186 4.186 4.002 0.184 17610 8115 1 9 . 1 1 94 94 LYS C C 88 178.027 178.027 178.619 -0.592 17610 8116 1 9 . 1 1 94 94 LYS CA C 88 59.359 59.359 60.161 -0.802 17610 8117 1 9 . 1 1 94 94 LYS CB C 88 31.292 31.292 32.073 -0.781 17610 8118 1 9 . 1 1 94 94 LYS H H 88 8.456 8.456 8.334 0.122 17610 8119 1 9 . 1 1 95 95 SER N N 89 115.491 115.491 114.469 1.022 17610 8120 1 9 . 1 1 95 95 SER HA H 89 4.188 4.188 4.388 -0.200 17610 8121 1 9 . 1 1 95 95 SER C C 89 175.751 175.751 176.385 -0.634 17610 8122 1 9 . 1 1 95 95 SER CA C 89 61.751 61.751 61.680 0.071 17610 8123 1 9 . 1 1 95 95 SER CB C 89 63.530 63.530 62.624 0.906 17610 8124 1 9 . 1 1 95 95 SER H H 89 7.970 7.970 8.532 -0.562 17610 8125 1 9 . 1 1 96 96 PHE N N 90 125.899 125.899 120.945 4.954 17610 8126 1 9 . 1 1 96 96 PHE HA H 90 4.037 4.037 4.258 -0.221 17610 8127 1 9 . 1 1 96 96 PHE C C 90 177.267 177.267 176.376 0.891 17610 8128 1 9 . 1 1 96 96 PHE CA C 90 59.688 59.688 59.948 -0.260 17610 8129 1 9 . 1 1 96 96 PHE CB C 90 40.175 40.175 39.206 0.969 17610 8130 1 9 . 1 1 96 96 PHE H H 90 7.419 7.419 7.854 -0.435 17610 8131 1 9 . 1 1 97 97 GLU N N 91 122.834 122.834 117.289 5.545 17610 8132 1 9 . 1 1 97 97 GLU HA H 91 3.787 3.787 3.839 -0.052 17610 8133 1 9 . 1 1 97 97 GLU C C 91 179.628 179.628 177.911 1.717 17610 8134 1 9 . 1 1 97 97 GLU CA C 91 59.004 59.004 59.166 -0.162 17610 8135 1 9 . 1 1 97 97 GLU CB C 91 29.261 29.261 29.512 -0.251 17610 8136 1 9 . 1 1 97 97 GLU H H 91 8.449 8.449 7.736 0.713 17610 8137 1 9 . 1 1 98 98 ASP N N 92 118.617 118.617 120.842 -2.225 17610 8138 1 9 . 1 1 98 98 ASP HA H 92 4.553 4.553 4.426 0.127 17610 8139 1 9 . 1 1 98 98 ASP C C 92 177.582 177.582 178.522 -0.940 17610 8140 1 9 . 1 1 98 98 ASP CA C 92 56.171 56.171 57.223 -1.052 17610 8141 1 9 . 1 1 98 98 ASP CB C 92 41.184 41.184 40.487 0.696 17610 8142 1 9 . 1 1 98 98 ASP H H 92 8.492 8.492 7.453 1.039 17610 8143 1 9 . 1 1 99 99 ILE N N 93 121.939 121.939 117.955 3.984 17610 8144 1 9 . 1 1 99 99 ILE HA H 93 3.954 3.954 4.065 -0.111 17610 8145 1 9 . 1 1 99 99 ILE C C 93 177.442 177.442 177.954 -0.512 17610 8146 1 9 . 1 1 99 99 ILE CA C 93 62.370 62.370 63.252 -0.882 17610 8147 1 9 . 1 1 99 99 ILE CB C 93 34.570 34.570 36.685 -2.115 17610 8148 1 9 . 1 1 99 99 ILE H H 93 7.583 7.583 7.691 -0.108 17610 8149 1 9 . 1 1 100 100 HIS N N 94 118.387 118.387 119.729 -1.342 17610 8150 1 9 . 1 1 100 100 HIS HA H 94 4.273 4.273 4.572 -0.299 17610 8151 1 9 . 1 1 100 100 HIS C C 94 177.345 177.345 177.137 0.208 17610 8152 1 9 . 1 1 100 100 HIS CA C 94 60.090 60.090 59.808 0.282 17610 8153 1 9 . 1 1 100 100 HIS CB C 94 30.512 30.512 30.321 0.191 17610 8154 1 9 . 1 1 100 100 HIS H H 94 7.799 7.799 7.451 0.348 17610 8155 1 9 . 1 1 101 101 GLN N N 95 117.673 117.673 118.786 -1.113 17610 8156 1 9 . 1 1 101 101 GLN HA H 95 3.941 3.941 3.886 0.055 17610 8157 1 9 . 1 1 101 101 GLN C C 95 179.155 179.155 178.378 0.777 17610 8158 1 9 . 1 1 101 101 GLN CA C 95 58.371 58.371 58.133 0.238 17610 8159 1 9 . 1 1 101 101 GLN CB C 95 27.807 27.807 27.649 0.158 17610 8160 1 9 . 1 1 101 101 GLN H H 95 7.468 7.468 7.709 -0.241 17610 8161 1 9 . 1 1 102 102 TYR N N 96 120.407 120.407 121.064 -0.657 17610 8162 1 9 . 1 1 102 102 TYR HA H 96 4.064 4.064 4.227 -0.163 17610 8163 1 9 . 1 1 102 102 TYR C C 96 177.660 177.660 177.938 -0.278 17610 8164 1 9 . 1 1 102 102 TYR CA C 96 62.847 62.847 60.984 1.863 17610 8165 1 9 . 1 1 102 102 TYR CB C 96 37.795 37.795 38.308 -0.513 17610 8166 1 9 . 1 1 102 102 TYR H H 96 7.600 7.600 8.547 -0.947 17610 8167 1 9 . 1 1 103 103 ARG N N 97 119.974 119.974 118.906 1.068 17610 8168 1 9 . 1 1 103 103 ARG HA H 97 3.616 3.616 3.724 -0.108 17610 8169 1 9 . 1 1 103 103 ARG C C 97 177.618 177.618 178.077 -0.459 17610 8170 1 9 . 1 1 103 103 ARG CA C 97 59.938 59.938 59.184 0.754 17610 8171 1 9 . 1 1 103 103 ARG CB C 97 28.599 28.599 29.471 -0.872 17610 8172 1 9 . 1 1 103 103 ARG H H 97 8.395 8.395 7.530 0.865 17610 8173 1 9 . 1 1 104 104 GLU N N 98 118.351 118.351 117.977 0.374 17610 8174 1 9 . 1 1 104 104 GLU HA H 98 3.781 3.781 3.895 -0.114 17610 8175 1 9 . 1 1 104 104 GLU C C 98 178.982 178.982 178.878 0.104 17610 8176 1 9 . 1 1 104 104 GLU CA C 98 58.900 58.900 59.398 -0.498 17610 8177 1 9 . 1 1 104 104 GLU CB C 98 29.435 29.435 28.984 0.451 17610 8178 1 9 . 1 1 104 104 GLU H H 98 7.970 7.970 7.473 0.497 17610 8179 1 9 . 1 1 105 105 GLN N N 99 121.350 121.350 118.149 3.201 17610 8180 1 9 . 1 1 105 105 GLN HA H 99 3.946 3.946 4.061 -0.115 17610 8181 1 9 . 1 1 105 105 GLN C C 99 177.701 177.701 178.363 -0.662 17610 8182 1 9 . 1 1 105 105 GLN CA C 99 59.037 59.037 58.731 0.306 17610 8183 1 9 . 1 1 105 105 GLN CB C 99 27.938 27.938 28.807 -0.869 17610 8184 1 9 . 1 1 105 105 GLN H H 99 7.907 7.907 7.493 0.414 17610 8185 1 9 . 1 1 106 106 ILE N N 100 121.310 121.310 119.748 1.562 17610 8186 1 9 . 1 1 106 106 ILE HA H 100 3.177 3.177 3.474 -0.297 17610 8187 1 9 . 1 1 106 106 ILE C C 100 177.199 177.199 178.165 -0.966 17610 8188 1 9 . 1 1 106 106 ILE CA C 100 65.682 65.682 64.261 1.421 17610 8189 1 9 . 1 1 106 106 ILE CB C 100 37.874 37.874 37.231 0.643 17610 8190 1 9 . 1 1 106 106 ILE H H 100 7.920 7.920 7.066 0.854 17610 8191 1 9 . 1 1 107 107 LYS N N 101 118.584 118.584 119.935 -1.351 17610 8192 1 9 . 1 1 107 107 LYS HA H 101 3.951 3.951 4.074 -0.123 17610 8193 1 9 . 1 1 107 107 LYS C C 101 179.476 179.476 178.407 1.069 17610 8194 1 9 . 1 1 107 107 LYS CA C 101 59.571 59.571 59.553 0.018 17610 8195 1 9 . 1 1 107 107 LYS CB C 101 32.227 32.227 31.892 0.335 17610 8196 1 9 . 1 1 107 107 LYS H H 101 7.782 7.782 7.643 0.139 17610 8197 1 9 . 1 1 108 108 ARG N N 102 119.152 119.152 118.075 1.077 17610 8198 1 9 . 1 1 108 108 ARG HA H 102 4.082 4.082 3.988 0.094 17610 8199 1 9 . 1 1 108 108 ARG C C 102 179.582 179.582 178.314 1.268 17610 8200 1 9 . 1 1 108 108 ARG CA C 102 58.946 58.946 59.212 -0.266 17610 8201 1 9 . 1 1 108 108 ARG CB C 102 30.097 30.097 30.131 -0.034 17610 8202 1 9 . 1 1 108 108 ARG H H 102 7.777 7.777 7.282 0.495 17610 8203 1 9 . 1 1 109 109 VAL N N 103 119.544 119.544 118.717 0.827 17610 8204 1 9 . 1 1 109 109 VAL HA H 103 3.837 3.837 3.718 0.119 17610 8205 1 9 . 1 1 109 109 VAL C C 103 177.919 177.919 177.877 0.042 17610 8206 1 9 . 1 1 109 109 VAL CA C 103 65.393 65.393 65.313 0.080 17610 8207 1 9 . 1 1 109 109 VAL CB C 103 31.599 31.599 31.488 0.111 17610 8208 1 9 . 1 1 109 109 VAL H H 103 8.282 8.282 7.512 0.770 17610 8209 1 9 . 1 1 110 110 LYS N N 104 117.592 117.592 115.972 1.620 17610 8210 1 9 . 1 1 110 110 LYS HA H 104 4.269 4.269 4.165 0.104 17610 8211 1 9 . 1 1 110 110 LYS C C 104 175.878 175.878 177.050 -1.172 17610 8212 1 9 . 1 1 110 110 LYS CA C 104 54.797 54.797 56.678 -1.881 17610 8213 1 9 . 1 1 110 110 LYS CB C 104 30.687 30.687 32.277 -1.590 17610 8214 1 9 . 1 1 110 110 LYS H H 104 8.117 8.117 8.357 -0.239 17610 8215 1 9 . 1 1 111 111 ASP N N 105 122.118 122.118 117.815 4.303 17610 8216 1 9 . 1 1 111 111 ASP HA H 105 4.306 4.306 4.453 -0.147 17610 8217 1 9 . 1 1 111 111 ASP C C 105 174.496 174.496 175.104 -0.608 17610 8218 1 9 . 1 1 111 111 ASP CA C 105 54.442 54.442 55.080 -0.638 17610 8219 1 9 . 1 1 111 111 ASP CB C 105 39.792 39.792 39.607 0.185 17610 8220 1 9 . 1 1 111 111 ASP H H 105 7.958 7.958 7.813 0.145 17610 8221 1 9 . 1 1 112 112 SER N N 106 110.372 110.372 112.157 -1.785 17610 8222 1 9 . 1 1 112 112 SER HA H 106 4.565 4.565 4.575 -0.010 17610 8223 1 9 . 1 1 112 112 SER C C 106 172.985 172.985 173.128 -0.143 17610 8224 1 9 . 1 1 112 112 SER CA C 106 56.779 56.779 57.819 -1.040 17610 8225 1 9 . 1 1 112 112 SER CB C 106 65.259 65.259 64.450 0.809 17610 8226 1 9 . 1 1 112 112 SER H H 106 7.539 7.539 7.570 -0.031 17610 8227 1 9 . 1 1 113 113 ASP N N 107 123.301 123.301 123.461 -0.160 17610 8228 1 9 . 1 1 113 113 ASP HA H 107 4.665 4.665 4.421 0.244 17610 8229 1 9 . 1 1 113 113 ASP C C 107 176.066 176.066 175.458 0.608 17610 8230 1 9 . 1 1 113 113 ASP CA C 107 54.267 54.267 55.788 -1.521 17610 8231 1 9 . 1 1 113 113 ASP CB C 107 41.837 41.837 41.199 0.638 17610 8232 1 9 . 1 1 113 113 ASP H H 107 8.385 8.385 8.659 -0.274 17610 8233 1 9 . 1 1 114 114 ASP N N 108 122.347 122.347 120.410 1.937 17610 8234 1 9 . 1 1 114 114 ASP HA H 108 4.882 4.882 4.567 0.315 17610 8235 1 9 . 1 1 114 114 ASP C C 108 174.386 174.386 175.630 -1.244 17610 8236 1 9 . 1 1 114 114 ASP CA C 108 53.143 53.143 53.754 -0.611 17610 8237 1 9 . 1 1 114 114 ASP CB C 108 41.323 41.323 39.819 1.504 17610 8238 1 9 . 1 1 114 114 ASP H H 108 8.404 8.404 8.308 0.096 17610 8239 1 9 . 1 1 115 115 VAL N N 109 123.609 123.609 118.690 4.919 17610 8240 1 9 . 1 1 115 115 VAL HA H 109 4.337 4.337 4.490 -0.153 17610 8241 1 9 . 1 1 115 115 VAL CA C 109 58.984 58.984 57.620 1.364 17610 8242 1 9 . 1 1 115 115 VAL CB C 109 34.932 34.932 34.200 0.732 17610 8243 1 9 . 1 1 115 115 VAL H H 109 7.649 7.649 7.523 0.126 17610 8244 1 9 . 1 1 116 116 PRO HA H 110 4.430 4.430 4.862 -0.432 17610 8245 1 9 . 1 1 116 116 PRO C C 110 175.942 175.942 176.055 -0.113 17610 8246 1 9 . 1 1 116 116 PRO CA C 110 63.872 63.872 62.782 1.090 17610 8247 1 9 . 1 1 116 116 PRO CB C 110 32.120 32.120 31.017 1.103 17610 8248 1 9 . 1 1 117 117 MET N N 111 124.020 124.020 119.045 4.975 17610 8249 1 9 . 1 1 117 117 MET HA H 111 5.777 5.777 5.372 0.405 17610 8250 1 9 . 1 1 117 117 MET C C 111 173.737 173.737 173.804 -0.067 17610 8251 1 9 . 1 1 117 117 MET CA C 111 55.094 55.094 54.786 0.308 17610 8252 1 9 . 1 1 117 117 MET CB C 111 37.889 37.889 37.272 0.617 17610 8253 1 9 . 1 1 117 117 MET H H 111 8.274 8.274 7.592 0.682 17610 8254 1 9 . 1 1 118 118 VAL N N 112 118.747 118.747 116.231 2.516 17610 8255 1 9 . 1 1 118 118 VAL HA H 112 4.341 4.341 4.574 -0.233 17610 8256 1 9 . 1 1 118 118 VAL C C 112 173.171 173.171 173.525 -0.354 17610 8257 1 9 . 1 1 118 118 VAL CA C 112 60.943 60.943 60.408 0.535 17610 8258 1 9 . 1 1 118 118 VAL CB C 112 37.030 37.030 36.659 0.371 17610 8259 1 9 . 1 1 118 118 VAL H H 112 8.119 8.119 8.705 -0.586 17610 8260 1 9 . 1 1 119 119 LEU N N 113 129.931 129.931 127.283 2.648 17610 8261 1 9 . 1 1 119 119 LEU HA H 113 5.157 5.157 5.158 -0.001 17610 8262 1 9 . 1 1 119 119 LEU C C 113 173.496 173.496 174.889 -1.393 17610 8263 1 9 . 1 1 119 119 LEU CA C 113 53.828 53.828 53.398 0.430 17610 8264 1 9 . 1 1 119 119 LEU CB C 113 43.876 43.876 44.038 -0.163 17610 8265 1 9 . 1 1 119 119 LEU H H 113 8.918 8.918 8.179 0.739 17610 8266 1 9 . 1 1 120 120 VAL N N 114 129.371 129.371 127.062 2.309 17610 8267 1 9 . 1 1 120 120 VAL HA H 114 5.117 5.117 5.106 0.011 17610 8268 1 9 . 1 1 120 120 VAL C C 114 173.667 173.667 175.488 -1.821 17610 8269 1 9 . 1 1 120 120 VAL CA C 114 60.124 60.124 60.174 -0.050 17610 8270 1 9 . 1 1 120 120 VAL CB C 114 35.225 35.225 34.471 0.754 17610 8271 1 9 . 1 1 120 120 VAL H H 114 9.173 9.173 9.051 0.122 17610 8272 1 9 . 1 1 121 121 GLY N N 115 115.789 115.789 112.473 3.316 17610 8273 1 9 . 1 1 121 121 GLY C C 115 171.603 171.603 173.909 -2.306 17610 8274 1 9 . 1 1 121 121 GLY CA C 115 45.256 45.256 43.922 1.334 17610 8275 1 9 . 1 1 121 121 GLY H H 115 8.046 8.046 9.024 -0.978 17610 8276 1 9 . 1 1 122 122 ASN N N 116 122.349 122.349 123.484 -1.135 17610 8277 1 9 . 1 1 122 122 ASN HA H 116 5.620 5.620 4.656 0.964 17610 8278 1 9 . 1 1 122 122 ASN C C 116 174.732 174.732 175.371 -0.639 17610 8279 1 9 . 1 1 122 122 ASN CA C 116 51.492 51.492 53.083 -1.591 17610 8280 1 9 . 1 1 122 122 ASN CB C 116 41.323 41.323 39.874 1.449 17610 8281 1 9 . 1 1 122 122 ASN H H 116 8.756 8.756 7.894 0.862 17610 8282 1 9 . 1 1 123 123 LYS N N 117 113.297 113.297 117.331 -4.034 17610 8283 1 9 . 1 1 123 123 LYS HA H 117 4.280 4.280 3.997 0.283 17610 8284 1 9 . 1 1 123 123 LYS C C 117 177.324 177.324 175.489 1.835 17610 8285 1 9 . 1 1 123 123 LYS CA C 117 57.273 57.273 57.346 -0.073 17610 8286 1 9 . 1 1 123 123 LYS CB C 117 29.775 29.775 30.341 -0.566 17610 8287 1 9 . 1 1 123 123 LYS H H 117 7.342 7.342 8.723 -1.381 17610 8288 1 9 . 1 1 124 124 CYS N N 118 115.340 115.340 117.623 -2.283 17610 8289 1 9 . 1 1 124 124 CYS HA H 118 4.292 4.292 4.353 -0.061 17610 8290 1 9 . 1 1 124 124 CYS C C 118 173.325 173.325 174.544 -1.219 17610 8291 1 9 . 1 1 124 124 CYS CA C 118 60.698 60.698 58.599 2.099 17610 8292 1 9 . 1 1 124 124 CYS CB C 118 26.387 26.387 28.210 -1.823 17610 8293 1 9 . 1 1 124 124 CYS H H 118 8.763 8.763 7.923 0.840 17610 8294 1 9 . 1 1 125 125 ASP N N 119 118.603 118.603 119.145 -0.542 17610 8295 1 9 . 1 1 125 125 ASP HA H 119 4.476 4.476 4.571 -0.095 17610 8296 1 9 . 1 1 125 125 ASP C C 119 175.464 175.464 176.182 -0.718 17610 8297 1 9 . 1 1 125 125 ASP CA C 119 53.951 53.951 54.863 -0.912 17610 8298 1 9 . 1 1 125 125 ASP CB C 119 41.323 41.323 40.796 0.527 17610 8299 1 9 . 1 1 125 125 ASP H H 119 8.613 8.613 8.178 0.435 17610 8300 1 9 . 1 1 126 126 LEU N N 120 122.098 122.098 120.208 1.890 17610 8301 1 9 . 1 1 126 126 LEU HA H 120 4.241 4.241 4.156 0.085 17610 8302 1 9 . 1 1 126 126 LEU C C 120 176.420 176.420 176.933 -0.513 17610 8303 1 9 . 1 1 126 126 LEU CA C 120 54.723 54.723 55.289 -0.567 17610 8304 1 9 . 1 1 126 126 LEU CB C 120 41.837 41.837 42.830 -0.993 17610 8305 1 9 . 1 1 126 126 LEU H H 120 7.802 7.802 7.695 0.107 17610 8306 1 9 . 1 1 127 127 ALA N N 121 123.959 123.959 122.836 1.123 17610 8307 1 9 . 1 1 127 127 ALA HA H 121 4.214 4.214 4.466 -0.252 17610 8308 1 9 . 1 1 127 127 ALA C C 121 178.717 178.717 176.527 2.190 17610 8309 1 9 . 1 1 127 127 ALA CA C 121 53.179 53.179 52.117 1.062 17610 8310 1 9 . 1 1 127 127 ALA CB C 121 18.871 18.871 19.270 -0.399 17610 8311 1 9 . 1 1 127 127 ALA H H 121 8.160 8.160 8.466 -0.306 17610 8312 1 9 . 1 1 128 128 ALA N N 122 123.078 123.078 122.287 0.791 17610 8313 1 9 . 1 1 128 128 ALA HA H 122 4.524 4.524 4.529 -0.005 17610 8314 1 9 . 1 1 128 128 ALA C C 122 175.272 175.272 176.050 -0.778 17610 8315 1 9 . 1 1 128 128 ALA CA C 122 51.259 51.259 51.808 -0.549 17610 8316 1 9 . 1 1 128 128 ALA CB C 122 17.623 17.623 19.274 -1.651 17610 8317 1 9 . 1 1 128 128 ALA H H 122 7.698 7.698 7.796 -0.098 17610 8318 1 9 . 1 1 129 129 ARG N N 123 121.454 121.454 120.671 0.783 17610 8319 1 9 . 1 1 129 129 ARG HA H 123 4.093 4.093 4.417 -0.324 17610 8320 1 9 . 1 1 129 129 ARG C C 123 176.271 176.271 175.703 0.568 17610 8321 1 9 . 1 1 129 129 ARG CA C 123 55.596 55.596 55.419 0.178 17610 8322 1 9 . 1 1 129 129 ARG CB C 123 32.696 32.696 30.985 1.711 17610 8323 1 9 . 1 1 129 129 ARG H H 123 7.992 7.992 7.960 0.032 17610 8324 1 9 . 1 1 130 130 THR N N 124 115.617 115.617 115.572 0.045 17610 8325 1 9 . 1 1 130 130 THR HA H 124 4.564 4.564 4.365 0.199 17610 8326 1 9 . 1 1 130 130 THR C C 124 174.119 174.119 175.289 -1.170 17610 8327 1 9 . 1 1 130 130 THR CA C 124 61.746 61.746 63.275 -1.529 17610 8328 1 9 . 1 1 130 130 THR CB C 124 69.094 69.094 70.078 -0.984 17610 8329 1 9 . 1 1 130 130 THR H H 124 9.145 9.145 8.762 0.383 17610 8330 1 9 . 1 1 131 131 VAL N N 125 125.688 125.688 125.310 0.378 17610 8331 1 9 . 1 1 131 131 VAL HA H 125 4.015 4.015 4.144 -0.129 17610 8332 1 9 . 1 1 131 131 VAL C C 125 175.658 175.658 175.011 0.647 17610 8333 1 9 . 1 1 131 131 VAL CA C 125 61.373 61.373 61.633 -0.260 17610 8334 1 9 . 1 1 131 131 VAL CB C 125 33.147 33.147 31.358 1.789 17610 8335 1 9 . 1 1 131 131 VAL H H 125 7.618 7.618 8.159 -0.541 17610 8336 1 9 . 1 1 132 132 GLU N N 126 128.319 128.319 127.978 0.341 17610 8337 1 9 . 1 1 132 132 GLU HA H 126 4.228 4.228 4.138 0.090 17610 8338 1 9 . 1 1 132 132 GLU C C 126 177.986 177.986 177.332 0.654 17610 8339 1 9 . 1 1 132 132 GLU CA C 126 56.323 56.323 56.502 -0.179 17610 8340 1 9 . 1 1 132 132 GLU CB C 126 30.158 30.158 30.063 0.095 17610 8341 1 9 . 1 1 132 132 GLU H H 126 8.727 8.727 8.419 0.308 17610 8342 1 9 . 1 1 133 133 SER N N 127 122.970 122.970 115.593 7.377 17610 8343 1 9 . 1 1 133 133 SER HA H 127 4.074 4.074 4.219 -0.145 17610 8344 1 9 . 1 1 133 133 SER C C 127 176.633 176.633 176.244 0.389 17610 8345 1 9 . 1 1 133 133 SER CA C 127 62.598 62.598 61.116 1.482 17610 8346 1 9 . 1 1 133 133 SER CB C 127 62.511 62.511 63.313 -0.802 17610 8347 1 9 . 1 1 133 133 SER H H 127 9.421 9.421 8.776 0.645 17610 8348 1 9 . 1 1 134 134 ARG N N 128 119.141 119.141 121.409 -2.268 17610 8349 1 9 . 1 1 134 134 ARG HA H 128 4.028 4.028 3.985 0.043 17610 8350 1 9 . 1 1 134 134 ARG C C 128 177.739 177.739 178.140 -0.401 17610 8351 1 9 . 1 1 134 134 ARG CA C 128 58.785 58.785 58.882 -0.097 17610 8352 1 9 . 1 1 134 134 ARG CB C 128 29.752 29.752 29.164 0.588 17610 8353 1 9 . 1 1 134 134 ARG H H 128 8.675 8.675 8.479 0.196 17610 8354 1 9 . 1 1 135 135 GLN N N 129 118.050 118.050 118.323 -0.273 17610 8355 1 9 . 1 1 135 135 GLN HA H 129 4.091 4.091 3.965 0.126 17610 8356 1 9 . 1 1 135 135 GLN C C 129 179.009 179.009 177.634 1.375 17610 8357 1 9 . 1 1 135 135 GLN CA C 129 58.389 58.389 59.024 -0.635 17610 8358 1 9 . 1 1 135 135 GLN CB C 129 28.916 28.916 28.194 0.722 17610 8359 1 9 . 1 1 135 135 GLN H H 129 6.796 6.796 7.916 -1.120 17610 8360 1 9 . 1 1 136 136 ALA N N 130 124.769 124.769 121.073 3.696 17610 8361 1 9 . 1 1 136 136 ALA HA H 130 3.933 3.933 3.221 0.712 17610 8362 1 9 . 1 1 136 136 ALA C C 130 178.155 178.155 179.472 -1.317 17610 8363 1 9 . 1 1 136 136 ALA CA C 130 54.760 54.760 54.438 0.322 17610 8364 1 9 . 1 1 136 136 ALA CB C 130 18.546 18.546 17.569 0.977 17610 8365 1 9 . 1 1 136 136 ALA H H 130 7.017 7.017 7.317 -0.300 17610 8366 1 9 . 1 1 137 137 GLN N N 131 119.215 119.215 117.645 1.570 17610 8367 1 9 . 1 1 137 137 GLN HA H 131 3.720 3.720 3.735 -0.015 17610 8368 1 9 . 1 1 137 137 GLN C C 131 179.387 179.387 178.161 1.226 17610 8369 1 9 . 1 1 137 137 GLN CA C 131 58.815 58.815 59.447 -0.632 17610 8370 1 9 . 1 1 137 137 GLN CB C 131 28.503 28.503 28.468 0.035 17610 8371 1 9 . 1 1 137 137 GLN H H 131 8.602 8.602 8.125 0.477 17610 8372 1 9 . 1 1 138 138 ASP N N 132 121.298 121.298 120.946 0.352 17610 8373 1 9 . 1 1 138 138 ASP HA H 132 4.371 4.371 4.318 0.053 17610 8374 1 9 . 1 1 138 138 ASP C C 132 178.855 178.855 178.580 0.275 17610 8375 1 9 . 1 1 138 138 ASP CA C 132 57.425 57.425 57.359 0.066 17610 8376 1 9 . 1 1 138 138 ASP CB C 132 40.860 40.860 40.742 0.118 17610 8377 1 9 . 1 1 138 138 ASP H H 132 8.203 8.203 7.804 0.399 17610 8378 1 9 . 1 1 139 139 LEU N N 133 124.786 124.786 120.232 4.554 17610 8379 1 9 . 1 1 139 139 LEU HA H 133 3.888 3.888 3.946 -0.058 17610 8380 1 9 . 1 1 139 139 LEU C C 133 178.953 178.953 178.323 0.630 17610 8381 1 9 . 1 1 139 139 LEU CA C 133 57.827 57.827 57.791 0.036 17610 8382 1 9 . 1 1 139 139 LEU CB C 133 41.837 41.837 41.338 0.499 17610 8383 1 9 . 1 1 139 139 LEU H H 133 7.485 7.485 7.356 0.129 17610 8384 1 9 . 1 1 140 140 ALA N N 134 123.038 123.038 121.613 1.425 17610 8385 1 9 . 1 1 140 140 ALA HA H 134 3.783 3.783 3.962 -0.179 17610 8386 1 9 . 1 1 140 140 ALA C C 134 179.902 179.902 179.222 0.680 17610 8387 1 9 . 1 1 140 140 ALA CA C 134 55.832 55.832 55.135 0.697 17610 8388 1 9 . 1 1 140 140 ALA CB C 134 18.120 18.120 18.426 -0.306 17610 8389 1 9 . 1 1 140 140 ALA H H 134 8.426 8.426 7.786 0.640 17610 8390 1 9 . 1 1 141 141 ARG N N 135 119.537 119.537 117.331 2.206 17610 8391 1 9 . 1 1 141 141 ARG HA H 135 4.194 4.194 4.000 0.194 17610 8392 1 9 . 1 1 141 141 ARG C C 135 180.037 180.037 178.340 1.697 17610 8393 1 9 . 1 1 141 141 ARG CA C 135 59.331 59.331 59.056 0.275 17610 8394 1 9 . 1 1 141 141 ARG CB C 135 29.864 29.864 30.055 -0.191 17610 8395 1 9 . 1 1 141 141 ARG H H 135 8.459 8.459 8.499 -0.040 17610 8396 1 9 . 1 1 142 142 SER N N 136 118.958 118.958 113.158 5.800 17610 8397 1 9 . 1 1 142 142 SER HA H 136 4.277 4.277 4.247 0.030 17610 8398 1 9 . 1 1 142 142 SER C C 136 176.127 176.127 175.498 0.629 17610 8399 1 9 . 1 1 142 142 SER CA C 136 61.509 61.509 59.975 1.534 17610 8400 1 9 . 1 1 142 142 SER CB C 136 62.529 62.529 62.977 -0.448 17610 8401 1 9 . 1 1 142 142 SER H H 136 7.944 7.944 7.584 0.360 17610 8402 1 9 . 1 1 143 143 TYR N N 137 121.309 121.309 118.828 2.481 17610 8403 1 9 . 1 1 143 143 TYR HA H 137 4.907 4.907 4.435 0.472 17610 8404 1 9 . 1 1 143 143 TYR C C 137 176.279 176.279 176.452 -0.173 17610 8405 1 9 . 1 1 143 143 TYR CA C 137 54.737 54.737 57.655 -2.918 17610 8406 1 9 . 1 1 143 143 TYR CB C 137 38.830 38.830 39.203 -0.373 17610 8407 1 9 . 1 1 143 143 TYR H H 137 7.623 7.623 7.368 0.255 17610 8408 1 9 . 1 1 144 144 GLY N N 138 112.193 112.193 106.936 5.257 17610 8409 1 9 . 1 1 144 144 GLY C C 138 175.077 175.077 174.377 0.700 17610 8410 1 9 . 1 1 144 144 GLY CA C 138 46.439 46.439 45.255 1.184 17610 8411 1 9 . 1 1 144 144 GLY H H 138 8.328 8.328 7.646 0.682 17610 8412 1 9 . 1 1 145 145 ILE N N 139 114.227 114.227 116.836 -2.609 17610 8413 1 9 . 1 1 145 145 ILE HA H 139 5.241 5.241 4.858 0.383 17610 8414 1 9 . 1 1 145 145 ILE CA C 139 58.420 58.420 58.087 0.332 17610 8415 1 9 . 1 1 145 145 ILE CB C 139 38.543 38.543 39.210 -0.667 17610 8416 1 9 . 1 1 145 145 ILE H H 139 8.059 8.059 7.474 0.585 17610 8417 1 9 . 1 1 146 146 PRO HA H 140 4.627 4.627 4.494 0.133 17610 8418 1 9 . 1 1 146 146 PRO C C 140 174.570 174.570 175.245 -0.675 17610 8419 1 9 . 1 1 146 146 PRO CA C 140 62.362 62.362 62.490 -0.128 17610 8420 1 9 . 1 1 146 146 PRO CB C 140 33.057 33.057 32.504 0.553 17610 8421 1 9 . 1 1 147 147 TYR N N 141 121.135 121.135 121.815 -0.680 17610 8422 1 9 . 1 1 147 147 TYR HA H 141 5.997 5.997 5.581 0.416 17610 8423 1 9 . 1 1 147 147 TYR C C 141 174.492 174.492 174.667 -0.175 17610 8424 1 9 . 1 1 147 147 TYR CA C 141 54.912 54.912 56.303 -1.391 17610 8425 1 9 . 1 1 147 147 TYR CB C 141 40.972 40.972 40.762 0.210 17610 8426 1 9 . 1 1 147 147 TYR H H 141 8.252 8.252 8.354 -0.102 17610 8427 1 9 . 1 1 148 148 ILE N N 142 131.362 131.362 127.927 3.435 17610 8428 1 9 . 1 1 148 148 ILE HA H 142 3.948 3.948 4.232 -0.284 17610 8429 1 9 . 1 1 148 148 ILE C C 142 172.977 172.977 174.216 -1.239 17610 8430 1 9 . 1 1 148 148 ILE CA C 142 59.383 59.383 59.325 0.057 17610 8431 1 9 . 1 1 148 148 ILE CB C 142 42.260 42.260 41.915 0.345 17610 8432 1 9 . 1 1 148 148 ILE H H 142 8.495 8.495 8.234 0.261 17610 8433 1 9 . 1 1 149 149 GLU N N 143 125.874 125.874 123.460 2.414 17610 8434 1 9 . 1 1 149 149 GLU HA H 143 4.788 4.788 4.638 0.150 17610 8435 1 9 . 1 1 149 149 GLU C C 143 176.128 176.128 175.390 0.738 17610 8436 1 9 . 1 1 149 149 GLU CA C 143 55.647 55.647 55.195 0.452 17610 8437 1 9 . 1 1 149 149 GLU CB C 143 29.727 29.727 31.812 -2.085 17610 8438 1 9 . 1 1 149 149 GLU H H 143 7.827 7.827 8.536 -0.709 17610 8439 1 9 . 1 1 150 150 THR N N 144 113.629 113.629 113.776 -0.147 17610 8440 1 9 . 1 1 150 150 THR HA H 144 5.081 5.081 5.247 -0.166 17610 8441 1 9 . 1 1 150 150 THR C C 144 176.136 176.136 173.325 2.811 17610 8442 1 9 . 1 1 150 150 THR CA C 144 59.464 59.464 59.832 -0.368 17610 8443 1 9 . 1 1 150 150 THR CB C 144 73.639 73.639 71.659 1.980 17610 8444 1 9 . 1 1 150 150 THR H H 144 8.800 8.800 8.033 0.767 17610 8445 1 9 . 1 1 151 151 SER N N 145 113.706 113.706 115.193 -1.487 17610 8446 1 9 . 1 1 151 151 SER HA H 145 4.883 4.883 5.184 -0.301 17610 8447 1 9 . 1 1 151 151 SER C C 145 175.707 175.707 173.688 2.019 17610 8448 1 9 . 1 1 151 151 SER CA C 145 57.438 57.438 56.760 0.678 17610 8449 1 9 . 1 1 151 151 SER CB C 145 64.470 64.470 66.183 -1.713 17610 8450 1 9 . 1 1 151 151 SER H H 145 8.807 8.807 8.096 0.711 17610 8451 1 9 . 1 1 152 152 ALA N N 146 133.500 133.500 128.342 5.158 17610 8452 1 9 . 1 1 152 152 ALA HA H 146 3.890 3.890 3.876 0.014 17610 8453 1 9 . 1 1 152 152 ALA C C 146 175.632 175.632 177.393 -1.761 17610 8454 1 9 . 1 1 152 152 ALA CA C 146 54.416 54.416 54.580 -0.164 17610 8455 1 9 . 1 1 152 152 ALA CB C 146 18.605 18.605 18.620 -0.015 17610 8456 1 9 . 1 1 152 152 ALA H H 146 9.134 9.134 8.895 0.239 17610 8457 1 9 . 1 1 153 153 LYS N N 147 117.223 117.223 118.008 -0.785 17610 8458 1 9 . 1 1 153 153 LYS HA H 147 2.616 2.616 4.425 -1.809 17610 8459 1 9 . 1 1 153 153 LYS C C 147 177.045 177.045 177.442 -0.397 17610 8460 1 9 . 1 1 153 153 LYS CA C 147 58.119 58.119 58.902 -0.783 17610 8461 1 9 . 1 1 153 153 LYS CB C 147 33.956 33.956 32.504 1.452 17610 8462 1 9 . 1 1 153 153 LYS H H 147 7.042 7.042 8.404 -1.362 17610 8463 1 9 . 1 1 154 154 THR N N 148 107.404 107.404 108.374 -0.970 17610 8464 1 9 . 1 1 154 154 THR HA H 148 4.157 4.157 4.424 -0.267 17610 8465 1 9 . 1 1 154 154 THR C C 148 175.979 175.979 174.296 1.683 17610 8466 1 9 . 1 1 154 154 THR CA C 148 61.489 61.489 60.943 0.546 17610 8467 1 9 . 1 1 154 154 THR CB C 148 69.911 69.911 68.533 1.378 17610 8468 1 9 . 1 1 154 154 THR H H 148 7.721 7.721 7.824 -0.103 17610 8469 1 9 . 1 1 155 155 ARG N N 149 119.268 119.268 116.849 2.419 17610 8470 1 9 . 1 1 155 155 ARG HA H 149 3.476 3.476 3.836 -0.360 17610 8471 1 9 . 1 1 155 155 ARG C C 149 175.481 175.481 175.090 0.391 17610 8472 1 9 . 1 1 155 155 ARG CA C 149 59.653 59.653 57.126 2.527 17610 8473 1 9 . 1 1 155 155 ARG CB C 149 30.445 30.445 26.785 3.660 17610 8474 1 9 . 1 1 155 155 ARG H H 149 7.814 7.814 7.908 -0.094 17610 8475 1 9 . 1 1 156 156 GLN N N 150 125.391 125.391 121.643 3.748 17610 8476 1 9 . 1 1 156 156 GLN HA H 150 4.065 4.065 4.271 -0.206 17610 8477 1 9 . 1 1 156 156 GLN C C 150 177.007 177.007 176.732 0.275 17610 8478 1 9 . 1 1 156 156 GLN CA C 150 57.433 57.433 55.808 1.625 17610 8479 1 9 . 1 1 156 156 GLN CB C 150 28.472 28.472 29.510 -1.038 17610 8480 1 9 . 1 1 156 156 GLN H H 150 7.833 7.833 7.555 0.278 17610 8481 1 9 . 1 1 157 157 GLY N N 151 116.380 116.380 114.597 1.783 17610 8482 1 9 . 1 1 157 157 GLY C C 151 173.581 173.581 175.061 -1.480 17610 8483 1 9 . 1 1 157 157 GLY CA C 151 46.945 46.945 46.544 0.401 17610 8484 1 9 . 1 1 157 157 GLY H H 151 8.936 8.936 9.141 -0.205 17610 8485 1 9 . 1 1 158 158 VAL N N 152 121.822 121.822 119.681 2.141 17610 8486 1 9 . 1 1 158 158 VAL HA H 152 3.221 3.221 3.525 -0.304 17610 8487 1 9 . 1 1 158 158 VAL C C 152 177.006 177.006 177.184 -0.178 17610 8488 1 9 . 1 1 158 158 VAL CA C 152 68.314 68.314 66.045 2.269 17610 8489 1 9 . 1 1 158 158 VAL CB C 152 31.473 31.473 31.703 -0.231 17610 8490 1 9 . 1 1 158 158 VAL H H 152 7.099 7.099 7.120 -0.021 17610 8491 1 9 . 1 1 159 159 GLU N N 153 118.087 118.087 118.160 -0.073 17610 8492 1 9 . 1 1 159 159 GLU HA H 153 3.305 3.305 3.549 -0.244 17610 8493 1 9 . 1 1 159 159 GLU C C 153 177.163 177.163 178.447 -1.284 17610 8494 1 9 . 1 1 159 159 GLU CA C 153 60.407 60.407 60.120 0.287 17610 8495 1 9 . 1 1 159 159 GLU CB C 153 28.787 28.787 28.557 0.230 17610 8496 1 9 . 1 1 159 159 GLU H H 153 8.271 8.271 8.551 -0.280 17610 8497 1 9 . 1 1 160 160 ASP N N 154 117.624 117.624 119.524 -1.900 17610 8498 1 9 . 1 1 160 160 ASP HA H 154 4.205 4.205 4.537 -0.332 17610 8499 1 9 . 1 1 160 160 ASP C C 154 179.366 179.366 178.192 1.174 17610 8500 1 9 . 1 1 160 160 ASP CA C 154 57.288 57.288 57.463 -0.175 17610 8501 1 9 . 1 1 160 160 ASP CB C 154 40.040 40.040 40.638 -0.598 17610 8502 1 9 . 1 1 160 160 ASP H H 154 8.145 8.145 8.157 -0.012 17610 8503 1 9 . 1 1 161 161 ALA N N 155 125.270 125.270 122.338 2.932 17610 8504 1 9 . 1 1 161 161 ALA HA H 155 3.749 3.749 4.074 -0.325 17610 8505 1 9 . 1 1 161 161 ALA C C 155 177.684 177.684 180.055 -2.371 17610 8506 1 9 . 1 1 161 161 ALA CA C 155 56.295 56.295 54.984 1.311 17610 8507 1 9 . 1 1 161 161 ALA CB C 155 17.397 17.397 18.535 -1.138 17610 8508 1 9 . 1 1 161 161 ALA H H 155 8.603 8.603 7.586 1.017 17610 8509 1 9 . 1 1 162 162 PHE N N 156 113.772 113.772 117.685 -3.913 17610 8510 1 9 . 1 1 162 162 PHE HA H 156 3.912 3.912 4.103 -0.191 17610 8511 1 9 . 1 1 162 162 PHE C C 156 177.975 177.975 178.248 -0.273 17610 8512 1 9 . 1 1 162 162 PHE CA C 156 62.851 62.851 60.438 2.413 17610 8513 1 9 . 1 1 162 162 PHE CB C 156 39.472 39.472 38.265 1.207 17610 8514 1 9 . 1 1 162 162 PHE H H 156 7.236 7.236 7.832 -0.596 17610 8515 1 9 . 1 1 163 163 TYR N N 157 120.499 120.499 118.643 1.856 17610 8516 1 9 . 1 1 163 163 TYR HA H 157 4.355 4.355 4.143 0.212 17610 8517 1 9 . 1 1 163 163 TYR C C 157 179.097 179.097 178.105 0.992 17610 8518 1 9 . 1 1 163 163 TYR CA C 157 58.309 58.309 60.614 -2.305 17610 8519 1 9 . 1 1 163 163 TYR CB C 157 35.012 35.012 37.178 -2.167 17610 8520 1 9 . 1 1 163 163 TYR H H 157 9.573 9.573 8.555 1.018 17610 8521 1 9 . 1 1 164 164 THR N N 158 118.206 118.206 115.750 2.456 17610 8522 1 9 . 1 1 164 164 THR HA H 158 3.903 3.903 3.992 -0.089 17610 8523 1 9 . 1 1 164 164 THR C C 158 175.656 175.656 176.603 -0.947 17610 8524 1 9 . 1 1 164 164 THR CA C 158 67.484 67.484 66.055 1.429 17610 8525 1 9 . 1 1 164 164 THR CB C 158 67.819 67.819 68.189 -0.370 17610 8526 1 9 . 1 1 164 164 THR H H 158 8.538 8.538 8.026 0.512 17610 8527 1 9 . 1 1 165 165 LEU N N 159 122.864 122.864 120.988 1.876 17610 8528 1 9 . 1 1 165 165 LEU HA H 159 3.871 3.871 4.174 -0.303 17610 8529 1 9 . 1 1 165 165 LEU C C 159 177.513 177.513 177.876 -0.363 17610 8530 1 9 . 1 1 165 165 LEU CA C 159 57.991 57.991 57.338 0.653 17610 8531 1 9 . 1 1 165 165 LEU CB C 159 40.181 40.181 40.802 -0.621 17610 8532 1 9 . 1 1 165 165 LEU H H 159 7.232 7.232 8.116 -0.884 17610 8533 1 9 . 1 1 166 166 VAL N N 160 120.322 120.322 119.343 0.979 17610 8534 1 9 . 1 1 166 166 VAL HA H 160 3.045 3.045 3.288 -0.243 17610 8535 1 9 . 1 1 166 166 VAL C C 160 177.474 177.474 178.229 -0.755 17610 8536 1 9 . 1 1 166 166 VAL CA C 160 67.389 67.389 65.625 1.764 17610 8537 1 9 . 1 1 166 166 VAL CB C 160 30.944 30.944 30.790 0.155 17610 8538 1 9 . 1 1 166 166 VAL H H 160 7.517 7.517 7.375 0.142 17610 8539 1 9 . 1 1 167 167 ARG N N 161 120.151 120.151 118.554 1.597 17610 8540 1 9 . 1 1 167 167 ARG HA H 161 3.772 3.772 3.875 -0.103 17610 8541 1 9 . 1 1 167 167 ARG C C 161 179.030 179.030 178.767 0.263 17610 8542 1 9 . 1 1 167 167 ARG CA C 161 60.935 60.935 59.769 1.166 17610 8543 1 9 . 1 1 167 167 ARG CB C 161 29.586 29.586 29.599 -0.013 17610 8544 1 9 . 1 1 167 167 ARG H H 161 8.044 8.044 7.674 0.370 17610 8545 1 9 . 1 1 168 168 GLU N N 162 119.201 119.201 119.579 -0.378 17610 8546 1 9 . 1 1 168 168 GLU HA H 162 4.050 4.050 4.104 -0.054 17610 8547 1 9 . 1 1 168 168 GLU C C 162 179.805 179.805 179.154 0.651 17610 8548 1 9 . 1 1 168 168 GLU CA C 162 58.867 58.867 59.387 -0.520 17610 8549 1 9 . 1 1 168 168 GLU CB C 162 30.330 30.330 29.543 0.787 17610 8550 1 9 . 1 1 168 168 GLU H H 162 8.171 8.171 7.571 0.600 17610 8551 1 9 . 1 1 169 169 ILE N N 163 123.244 123.244 118.597 4.647 17610 8552 1 9 . 1 1 169 169 ILE HA H 163 3.583 3.583 3.854 -0.271 17610 8553 1 9 . 1 1 169 169 ILE C C 163 178.906 178.906 177.556 1.350 17610 8554 1 9 . 1 1 169 169 ILE CA C 163 66.023 66.023 64.775 1.248 17610 8555 1 9 . 1 1 169 169 ILE CB C 163 38.204 38.204 37.799 0.405 17610 8556 1 9 . 1 1 169 169 ILE H H 163 8.174 8.174 7.633 0.541 17610 8557 1 9 . 1 1 170 170 ARG N N 164 119.842 119.842 117.729 2.113 17610 8558 1 9 . 1 1 170 170 ARG HA H 164 4.140 4.140 4.079 0.061 17610 8559 1 9 . 1 1 170 170 ARG C C 164 177.532 177.532 178.666 -1.134 17610 8560 1 9 . 1 1 170 170 ARG CA C 164 58.944 58.944 58.525 0.419 17610 8561 1 9 . 1 1 170 170 ARG CB C 164 31.206 31.206 30.239 0.967 17610 8562 1 9 . 1 1 170 170 ARG H H 164 8.405 8.405 7.711 0.694 17610 8563 1 9 . 1 1 171 171 GLN N N 165 116.762 116.762 116.108 0.654 17610 8564 1 9 . 1 1 171 171 GLN HA H 165 4.343 4.343 4.157 0.186 17610 8565 1 9 . 1 1 171 171 GLN C C 165 175.218 175.218 176.871 -1.653 17610 8566 1 9 . 1 1 171 171 GLN CA C 165 56.100 56.100 57.727 -1.627 17610 8567 1 9 . 1 1 171 171 GLN CB C 165 29.236 29.236 29.130 0.106 17610 8568 1 9 . 1 1 171 171 GLN H H 165 7.646 7.646 7.750 -0.104 17610 8569 1 10 . 1 1 8 8 THR N N 2 124.188 124.188 117.862 6.326 17610 8570 1 10 . 1 1 8 8 THR HA H 2 3.983 3.983 4.192 -0.209 17610 8571 1 10 . 1 1 8 8 THR C C 2 171.971 171.971 172.827 -0.856 17610 8572 1 10 . 1 1 8 8 THR CA C 2 63.551 63.551 63.192 0.359 17610 8573 1 10 . 1 1 8 8 THR CB C 2 69.619 69.619 69.615 0.004 17610 8574 1 10 . 1 1 8 8 THR H H 2 8.667 8.667 8.564 0.103 17610 8575 1 10 . 1 1 9 9 GLU N N 3 127.895 127.895 124.991 2.904 17610 8576 1 10 . 1 1 9 9 GLU HA H 3 5.280 5.280 4.443 0.837 17610 8577 1 10 . 1 1 9 9 GLU C C 3 175.089 175.089 175.222 -0.133 17610 8578 1 10 . 1 1 9 9 GLU CA C 3 53.636 53.636 55.986 -2.350 17610 8579 1 10 . 1 1 9 9 GLU CB C 3 32.029 32.029 31.492 0.537 17610 8580 1 10 . 1 1 9 9 GLU H H 3 8.316 8.316 8.485 -0.169 17610 8581 1 10 . 1 1 10 10 TYR N N 4 123.375 123.375 125.492 -2.117 17610 8582 1 10 . 1 1 10 10 TYR HA H 4 5.131 5.131 4.666 0.465 17610 8583 1 10 . 1 1 10 10 TYR C C 4 174.621 174.621 175.171 -0.550 17610 8584 1 10 . 1 1 10 10 TYR CA C 4 56.649 56.649 56.821 -0.172 17610 8585 1 10 . 1 1 10 10 TYR CB C 4 41.323 41.323 39.500 1.823 17610 8586 1 10 . 1 1 10 10 TYR H H 4 8.739 8.739 8.556 0.183 17610 8587 1 10 . 1 1 11 11 LYS N N 5 125.147 125.147 125.988 -0.841 17610 8588 1 10 . 1 1 11 11 LYS HA H 5 5.168 5.168 4.676 0.492 17610 8589 1 10 . 1 1 11 11 LYS C C 5 175.291 175.291 175.688 -0.397 17610 8590 1 10 . 1 1 11 11 LYS CA C 5 55.145 55.145 55.703 -0.557 17610 8591 1 10 . 1 1 11 11 LYS CB C 5 32.225 32.225 32.229 -0.004 17610 8592 1 10 . 1 1 11 11 LYS H H 5 9.142 9.142 8.772 0.370 17610 8593 1 10 . 1 1 12 12 LEU N N 6 127.306 127.306 126.394 0.912 17610 8594 1 10 . 1 1 12 12 LEU HA H 6 4.970 4.970 4.314 0.656 17610 8595 1 10 . 1 1 12 12 LEU C C 6 175.298 175.298 175.090 0.208 17610 8596 1 10 . 1 1 12 12 LEU CA C 6 52.743 52.743 54.375 -1.632 17610 8597 1 10 . 1 1 12 12 LEU CB C 6 43.063 43.063 42.575 0.488 17610 8598 1 10 . 1 1 12 12 LEU H H 6 9.150 9.150 9.156 -0.006 17610 8599 1 10 . 1 1 13 13 VAL N N 7 123.170 123.170 125.866 -2.696 17610 8600 1 10 . 1 1 13 13 VAL HA H 7 4.827 4.827 4.423 0.404 17610 8601 1 10 . 1 1 13 13 VAL C C 7 174.230 174.230 176.072 -1.842 17610 8602 1 10 . 1 1 13 13 VAL CB C 7 34.048 34.048 31.060 2.988 17610 8603 1 10 . 1 1 13 13 VAL H H 7 8.113 8.113 7.744 0.369 17610 8604 1 10 . 1 1 14 14 VAL N N 8 129.854 129.854 129.001 0.853 17610 8605 1 10 . 1 1 14 14 VAL HA H 8 4.669 4.669 4.333 0.336 17610 8606 1 10 . 1 1 14 14 VAL C C 8 175.377 175.377 175.513 -0.136 17610 8607 1 10 . 1 1 14 14 VAL CA C 8 61.935 61.935 62.415 -0.480 17610 8608 1 10 . 1 1 14 14 VAL CB C 8 32.496 32.496 31.638 0.858 17610 8609 1 10 . 1 1 14 14 VAL H H 8 8.707 8.707 8.096 0.611 17610 8610 1 10 . 1 1 15 15 VAL N N 9 121.835 121.835 117.867 3.968 17610 8611 1 10 . 1 1 15 15 VAL HA H 9 4.616 4.616 4.410 0.206 17610 8612 1 10 . 1 1 15 15 VAL C C 9 172.824 172.824 173.607 -0.783 17610 8613 1 10 . 1 1 15 15 VAL CA C 9 58.963 58.963 59.946 -0.983 17610 8614 1 10 . 1 1 15 15 VAL CB C 9 35.405 35.405 34.202 1.203 17610 8615 1 10 . 1 1 15 15 VAL H H 9 9.107 9.107 8.908 0.199 17610 8616 1 10 . 1 1 16 16 GLY N N 10 109.233 109.233 108.141 1.092 17610 8617 1 10 . 1 1 16 16 GLY C C 10 172.504 172.504 172.611 -0.107 17610 8618 1 10 . 1 1 16 16 GLY CA C 10 43.848 43.848 45.063 -1.215 17610 8619 1 10 . 1 1 16 16 GLY H H 10 7.394 7.394 7.472 -0.078 17610 8620 1 10 . 1 1 17 17 ALA N N 11 123.120 123.120 122.274 0.846 17610 8621 1 10 . 1 1 17 17 ALA HA H 11 4.547 4.547 4.514 0.033 17610 8622 1 10 . 1 1 17 17 ALA C C 11 177.371 177.371 178.740 -1.369 17610 8623 1 10 . 1 1 17 17 ALA CA C 11 52.236 52.236 52.416 -0.180 17610 8624 1 10 . 1 1 17 17 ALA CB C 11 19.807 19.807 20.041 -0.234 17610 8625 1 10 . 1 1 17 17 ALA H H 11 9.054 9.054 8.677 0.377 17610 8626 1 10 . 1 1 18 18 GLY N N 12 107.391 107.391 106.795 0.596 17610 8627 1 10 . 1 1 18 18 GLY C C 12 176.858 176.858 175.255 1.603 17610 8628 1 10 . 1 1 18 18 GLY CA C 12 46.465 46.465 46.827 -0.361 17610 8629 1 10 . 1 1 18 18 GLY H H 12 8.694 8.694 8.945 -0.251 17610 8630 1 10 . 1 1 19 19 GLY N N 13 114.596 114.596 107.205 7.391 17610 8631 1 10 . 1 1 19 19 GLY C C 13 174.661 174.661 174.499 0.162 17610 8632 1 10 . 1 1 19 19 GLY CA C 13 46.545 46.545 43.903 2.643 17610 8633 1 10 . 1 1 19 19 GLY H H 13 8.916 8.916 7.974 0.942 17610 8634 1 10 . 1 1 20 20 VAL N N 14 113.376 113.376 114.449 -1.073 17610 8635 1 10 . 1 1 20 20 VAL HA H 14 4.008 4.008 4.478 -0.470 17610 8636 1 10 . 1 1 20 20 VAL C C 14 174.469 174.469 175.673 -1.204 17610 8637 1 10 . 1 1 20 20 VAL CA C 14 62.825 62.825 60.695 2.130 17610 8638 1 10 . 1 1 20 20 VAL CB C 14 31.740 31.740 32.908 -1.168 17610 8639 1 10 . 1 1 20 20 VAL H H 14 7.427 7.427 7.292 0.135 17610 8640 1 10 . 1 1 21 21 GLY N N 15 109.392 109.392 109.747 -0.355 17610 8641 1 10 . 1 1 21 21 GLY C C 15 173.254 173.254 175.314 -2.060 17610 8642 1 10 . 1 1 21 21 GLY CA C 15 45.708 45.708 46.183 -0.475 17610 8643 1 10 . 1 1 21 21 GLY H H 15 8.388 8.388 8.479 -0.091 17610 8644 1 10 . 1 1 22 22 LYS N N 16 124.844 124.844 118.829 6.015 17610 8645 1 10 . 1 1 22 22 LYS HA H 16 3.537 3.537 4.065 -0.528 17610 8646 1 10 . 1 1 22 22 LYS C C 16 179.106 179.106 177.831 1.275 17610 8647 1 10 . 1 1 22 22 LYS CA C 16 60.990 60.990 58.858 2.132 17610 8648 1 10 . 1 1 22 22 LYS CB C 16 29.967 29.967 32.249 -2.282 17610 8649 1 10 . 1 1 22 22 LYS H H 16 9.097 9.097 8.289 0.808 17610 8650 1 10 . 1 1 23 23 SER N N 17 121.228 121.228 115.991 5.237 17610 8651 1 10 . 1 1 23 23 SER HA H 17 4.292 4.292 4.253 0.039 17610 8652 1 10 . 1 1 23 23 SER C C 17 175.697 175.697 176.217 -0.520 17610 8653 1 10 . 1 1 23 23 SER CA C 17 61.346 61.346 61.236 0.110 17610 8654 1 10 . 1 1 23 23 SER CB C 17 61.337 61.337 62.329 -0.992 17610 8655 1 10 . 1 1 23 23 SER H H 17 9.546 9.546 8.235 1.312 17610 8656 1 10 . 1 1 24 24 ALA N N 18 126.557 126.557 125.206 1.351 17610 8657 1 10 . 1 1 24 24 ALA HA H 18 3.946 3.946 3.849 0.097 17610 8658 1 10 . 1 1 24 24 ALA C C 18 181.834 181.834 179.369 2.465 17610 8659 1 10 . 1 1 24 24 ALA CA C 18 54.587 54.587 54.822 -0.235 17610 8660 1 10 . 1 1 24 24 ALA CB C 18 18.539 18.539 17.954 0.585 17610 8661 1 10 . 1 1 24 24 ALA H H 18 9.189 9.189 7.853 1.336 17610 8662 1 10 . 1 1 25 25 LEU N N 19 121.712 121.712 115.271 6.441 17610 8663 1 10 . 1 1 25 25 LEU HA H 19 3.878 3.878 4.040 -0.162 17610 8664 1 10 . 1 1 25 25 LEU C C 19 177.485 177.485 179.113 -1.628 17610 8665 1 10 . 1 1 25 25 LEU CA C 19 58.729 58.729 58.094 0.635 17610 8666 1 10 . 1 1 25 25 LEU CB C 19 43.227 43.227 40.830 2.397 17610 8667 1 10 . 1 1 25 25 LEU H H 19 8.817 8.817 7.548 1.269 17610 8668 1 10 . 1 1 26 26 THR N N 20 118.148 118.148 116.653 1.495 17610 8669 1 10 . 1 1 26 26 THR HA H 20 3.401 3.401 4.068 -0.667 17610 8670 1 10 . 1 1 26 26 THR C C 20 175.714 175.714 176.711 -0.997 17610 8671 1 10 . 1 1 26 26 THR CA C 20 68.122 68.122 66.790 1.332 17610 8672 1 10 . 1 1 26 26 THR CB C 20 68.196 68.196 68.967 -0.771 17610 8673 1 10 . 1 1 26 26 THR H H 20 7.517 7.517 7.405 0.112 17610 8674 1 10 . 1 1 27 27 ILE N N 21 121.987 121.987 121.266 0.721 17610 8675 1 10 . 1 1 27 27 ILE HA H 21 3.302 3.302 3.309 -0.007 17610 8676 1 10 . 1 1 27 27 ILE C C 21 175.380 175.380 177.950 -2.570 17610 8677 1 10 . 1 1 27 27 ILE CA C 21 64.278 64.278 64.793 -0.515 17610 8678 1 10 . 1 1 27 27 ILE CB C 21 36.758 36.758 36.828 -0.070 17610 8679 1 10 . 1 1 27 27 ILE H H 21 8.950 8.950 8.236 0.714 17610 8680 1 10 . 1 1 28 28 GLN N N 22 121.898 121.898 118.071 3.827 17610 8681 1 10 . 1 1 28 28 GLN HA H 22 4.334 4.334 4.123 0.211 17610 8682 1 10 . 1 1 28 28 GLN C C 22 179.058 179.058 178.878 0.180 17610 8683 1 10 . 1 1 28 28 GLN CA C 22 58.796 58.796 58.835 -0.039 17610 8684 1 10 . 1 1 28 28 GLN CB C 22 29.752 29.752 28.510 1.242 17610 8685 1 10 . 1 1 28 28 GLN H H 22 8.094 8.094 8.258 -0.164 17610 8686 1 10 . 1 1 29 29 LEU N N 23 121.426 121.426 118.770 2.656 17610 8687 1 10 . 1 1 29 29 LEU HA H 23 3.765 3.765 4.184 -0.419 17610 8688 1 10 . 1 1 29 29 LEU C C 23 178.155 178.155 176.771 1.384 17610 8689 1 10 . 1 1 29 29 LEU CA C 23 58.304 58.304 56.082 2.222 17610 8690 1 10 . 1 1 29 29 LEU CB C 23 40.637 40.637 41.094 -0.457 17610 8691 1 10 . 1 1 29 29 LEU H H 23 7.746 7.746 7.389 0.357 17610 8692 1 10 . 1 1 30 30 ILE N N 24 115.325 115.325 118.800 -3.475 17610 8693 1 10 . 1 1 30 30 ILE HA H 24 3.697 3.697 3.940 -0.243 17610 8694 1 10 . 1 1 30 30 ILE C C 24 177.421 177.421 177.830 -0.409 17610 8695 1 10 . 1 1 30 30 ILE CA C 24 62.050 62.050 62.849 -0.799 17610 8696 1 10 . 1 1 30 30 ILE CB C 24 37.183 37.183 37.855 -0.672 17610 8697 1 10 . 1 1 30 30 ILE H H 24 8.115 8.115 7.396 0.719 17610 8698 1 10 . 1 1 31 31 GLN N N 25 117.213 117.213 117.064 0.149 17610 8699 1 10 . 1 1 31 31 GLN HA H 25 4.539 4.539 4.186 0.353 17610 8700 1 10 . 1 1 31 31 GLN C C 25 176.149 176.149 175.695 0.454 17610 8701 1 10 . 1 1 31 31 GLN CA C 25 55.234 55.234 56.377 -1.143 17610 8702 1 10 . 1 1 31 31 GLN CB C 25 30.184 30.184 30.181 0.003 17610 8703 1 10 . 1 1 31 31 GLN H H 25 8.887 8.887 8.046 0.841 17610 8704 1 10 . 1 1 32 32 ASN N N 26 117.820 117.820 116.376 1.444 17610 8705 1 10 . 1 1 32 32 ASN HA H 26 4.807 4.807 4.418 0.389 17610 8706 1 10 . 1 1 32 32 ASN C C 26 174.051 174.051 173.629 0.422 17610 8707 1 10 . 1 1 32 32 ASN CA C 26 54.310 54.310 54.344 -0.034 17610 8708 1 10 . 1 1 32 32 ASN CB C 26 37.184 37.184 36.565 0.619 17610 8709 1 10 . 1 1 32 32 ASN H H 26 7.982 7.982 8.197 -0.215 17610 8710 1 10 . 1 1 33 33 HIS N N 27 112.968 112.968 114.865 -1.897 17610 8711 1 10 . 1 1 33 33 HIS HA H 27 4.889 4.889 4.633 0.256 17610 8712 1 10 . 1 1 33 33 HIS C C 27 172.514 172.514 173.004 -0.490 17610 8713 1 10 . 1 1 33 33 HIS CA C 27 54.314 54.314 54.632 -0.318 17610 8714 1 10 . 1 1 33 33 HIS CB C 27 32.616 32.616 30.260 2.356 17610 8715 1 10 . 1 1 33 33 HIS H H 27 6.804 6.804 7.800 -0.996 17610 8716 1 10 . 1 1 34 34 PHE N N 28 123.605 123.605 121.847 1.758 17610 8717 1 10 . 1 1 34 34 PHE HA H 28 4.914 4.914 4.350 0.564 17610 8718 1 10 . 1 1 34 34 PHE C C 28 174.641 174.641 174.976 -0.335 17610 8719 1 10 . 1 1 34 34 PHE CA C 28 55.754 55.754 58.934 -3.180 17610 8720 1 10 . 1 1 34 34 PHE CB C 28 40.573 40.573 39.905 0.668 17610 8721 1 10 . 1 1 34 34 PHE H H 28 8.462 8.462 8.255 0.207 17610 8722 1 10 . 1 1 35 35 VAL N N 29 126.695 126.695 120.586 6.109 17610 8723 1 10 . 1 1 35 35 VAL HA H 29 3.911 3.911 4.416 -0.505 17610 8724 1 10 . 1 1 35 35 VAL C C 29 173.764 173.764 174.268 -0.504 17610 8725 1 10 . 1 1 35 35 VAL CA C 29 61.275 61.275 60.107 1.168 17610 8726 1 10 . 1 1 35 35 VAL CB C 29 33.154 33.154 34.516 -1.362 17610 8727 1 10 . 1 1 35 35 VAL H H 29 7.537 7.537 7.622 -0.085 17610 8728 1 10 . 1 1 36 36 ASP N N 30 123.271 123.271 119.882 3.389 17610 8729 1 10 . 1 1 36 36 ASP HA H 30 4.185 4.185 4.822 -0.637 17610 8730 1 10 . 1 1 36 36 ASP C C 30 176.129 176.129 175.898 0.231 17610 8731 1 10 . 1 1 36 36 ASP CA C 30 54.662 54.662 55.187 -0.525 17610 8732 1 10 . 1 1 36 36 ASP CB C 30 41.323 41.323 42.535 -1.212 17610 8733 1 10 . 1 1 36 36 ASP H H 30 7.618 7.618 8.565 -0.947 17610 8734 1 10 . 1 1 37 37 GLU N N 31 119.730 119.730 117.677 2.053 17610 8735 1 10 . 1 1 37 37 GLU HA H 31 4.262 4.262 4.423 -0.161 17610 8736 1 10 . 1 1 37 37 GLU C C 31 174.901 174.901 174.571 0.330 17610 8737 1 10 . 1 1 37 37 GLU CA C 31 56.137 56.137 56.443 -0.306 17610 8738 1 10 . 1 1 37 37 GLU CB C 31 30.459 30.459 28.167 2.292 17610 8739 1 10 . 1 1 37 37 GLU H H 31 7.857 7.857 8.068 -0.211 17610 8740 1 10 . 1 1 38 38 TYR N N 32 123.296 123.296 120.835 2.461 17610 8741 1 10 . 1 1 38 38 TYR HA H 32 4.486 4.486 4.845 -0.359 17610 8742 1 10 . 1 1 38 38 TYR C C 32 174.370 174.370 174.105 0.265 17610 8743 1 10 . 1 1 38 38 TYR CA C 32 57.511 57.511 56.936 0.575 17610 8744 1 10 . 1 1 38 38 TYR CB C 32 39.199 39.199 40.123 -0.924 17610 8745 1 10 . 1 1 38 38 TYR H H 32 8.244 8.244 7.934 0.310 17610 8746 1 10 . 1 1 39 39 ASP N N 33 127.452 127.452 123.701 3.751 17610 8747 1 10 . 1 1 39 39 ASP HA H 33 4.891 4.891 4.621 0.270 17610 8748 1 10 . 1 1 39 39 ASP CA C 33 51.207 51.207 51.553 -0.346 17610 8749 1 10 . 1 1 39 39 ASP CB C 33 41.837 41.837 42.383 -0.546 17610 8750 1 10 . 1 1 39 39 ASP H H 33 8.158 8.158 8.426 -0.268 17610 8751 1 10 . 1 1 40 40 PRO HA H 34 4.405 4.405 4.551 -0.146 17610 8752 1 10 . 1 1 40 40 PRO C C 34 176.938 176.938 176.821 0.117 17610 8753 1 10 . 1 1 40 40 PRO CA C 34 63.068 63.068 64.358 -1.290 17610 8754 1 10 . 1 1 40 40 PRO CB C 34 32.089 32.089 32.431 -0.342 17610 8755 1 10 . 1 1 41 41 SER N N 35 117.575 117.575 110.764 6.811 17610 8756 1 10 . 1 1 41 41 SER HA H 35 4.433 4.433 4.491 -0.058 17610 8757 1 10 . 1 1 41 41 SER C C 35 174.777 174.777 172.593 2.184 17610 8758 1 10 . 1 1 41 41 SER CA C 35 58.346 58.346 58.488 -0.142 17610 8759 1 10 . 1 1 41 41 SER CB C 35 63.704 63.704 62.967 0.737 17610 8760 1 10 . 1 1 41 41 SER H H 35 8.495 8.495 7.791 0.704 17610 8761 1 10 . 1 1 42 42 ILE N N 36 123.018 123.018 120.012 3.006 17610 8762 1 10 . 1 1 42 42 ILE HA H 36 4.219 4.219 4.465 -0.246 17610 8763 1 10 . 1 1 42 42 ILE C C 36 175.966 175.966 174.722 1.244 17610 8764 1 10 . 1 1 42 42 ILE CA C 36 61.665 61.665 59.590 2.075 17610 8765 1 10 . 1 1 42 42 ILE CB C 36 38.745 38.745 40.195 -1.450 17610 8766 1 10 . 1 1 42 42 ILE H H 36 7.919 7.919 7.981 -0.062 17610 8767 1 10 . 1 1 43 43 GLU N N 37 124.699 124.699 121.007 3.692 17610 8768 1 10 . 1 1 43 43 GLU HA H 37 4.381 4.381 4.284 0.097 17610 8769 1 10 . 1 1 43 43 GLU C C 37 179.069 179.069 175.658 3.411 17610 8770 1 10 . 1 1 43 43 GLU CA C 37 56.223 56.223 55.517 0.706 17610 8771 1 10 . 1 1 43 43 GLU CB C 37 30.616 30.616 28.006 2.610 17610 8772 1 10 . 1 1 43 43 GLU H H 37 8.201 8.201 8.495 -0.294 17610 8773 1 10 . 1 1 44 44 ASP N N 38 121.902 121.902 117.293 4.609 17610 8774 1 10 . 1 1 44 44 ASP HA H 38 4.622 4.622 4.034 0.588 17610 8775 1 10 . 1 1 44 44 ASP C C 38 174.634 174.634 174.201 0.433 17610 8776 1 10 . 1 1 44 44 ASP CA C 38 54.095 54.095 55.529 -1.434 17610 8777 1 10 . 1 1 44 44 ASP CB C 38 41.837 41.837 40.086 1.752 17610 8778 1 10 . 1 1 44 44 ASP H H 38 8.094 8.094 7.945 0.149 17610 8779 1 10 . 1 1 45 45 SER N N 39 114.779 114.779 112.191 2.588 17610 8780 1 10 . 1 1 45 45 SER HA H 39 4.923 4.923 4.436 0.487 17610 8781 1 10 . 1 1 45 45 SER C C 39 173.339 173.339 171.846 1.493 17610 8782 1 10 . 1 1 45 45 SER CA C 39 57.023 57.023 56.679 0.344 17610 8783 1 10 . 1 1 45 45 SER CB C 39 64.751 64.751 64.692 0.059 17610 8784 1 10 . 1 1 45 45 SER H H 39 7.792 7.792 7.070 0.722 17610 8785 1 10 . 1 1 46 46 TYR N N 40 124.235 124.235 121.043 3.192 17610 8786 1 10 . 1 1 46 46 TYR HA H 40 4.662 4.662 4.767 -0.105 17610 8787 1 10 . 1 1 46 46 TYR C C 40 173.910 173.910 173.333 0.577 17610 8788 1 10 . 1 1 46 46 TYR CA C 40 56.944 56.944 56.758 0.186 17610 8789 1 10 . 1 1 46 46 TYR CB C 40 41.323 41.323 41.429 -0.106 17610 8790 1 10 . 1 1 46 46 TYR H H 40 8.976 8.976 8.737 0.239 17610 8791 1 10 . 1 1 47 47 ARG N N 41 121.906 121.906 120.668 1.238 17610 8792 1 10 . 1 1 47 47 ARG HA H 41 5.802 5.802 5.353 0.449 17610 8793 1 10 . 1 1 47 47 ARG C C 41 176.150 176.150 174.875 1.275 17610 8794 1 10 . 1 1 47 47 ARG CA C 41 54.129 54.129 54.178 -0.049 17610 8795 1 10 . 1 1 47 47 ARG CB C 41 34.105 34.105 33.307 0.798 17610 8796 1 10 . 1 1 47 47 ARG H H 41 8.238 8.238 8.573 -0.335 17610 8797 1 10 . 1 1 48 48 LYS N N 42 123.924 123.924 122.979 0.945 17610 8798 1 10 . 1 1 48 48 LYS HA H 42 4.508 4.508 4.528 -0.020 17610 8799 1 10 . 1 1 48 48 LYS C C 42 173.710 173.710 174.934 -1.224 17610 8800 1 10 . 1 1 48 48 LYS CA C 42 55.651 55.651 54.712 0.938 17610 8801 1 10 . 1 1 48 48 LYS CB C 42 38.139 38.139 36.217 1.922 17610 8802 1 10 . 1 1 48 48 LYS H H 42 8.705 8.705 8.016 0.689 17610 8803 1 10 . 1 1 49 49 GLN N N 43 130.301 130.301 126.064 4.237 17610 8804 1 10 . 1 1 49 49 GLN HA H 43 5.230 5.230 4.426 0.804 17610 8805 1 10 . 1 1 49 49 GLN C C 43 175.254 175.254 175.131 0.123 17610 8806 1 10 . 1 1 49 49 GLN CA C 43 55.496 55.496 55.900 -0.404 17610 8807 1 10 . 1 1 49 49 GLN CB C 43 29.892 29.892 29.348 0.544 17610 8808 1 10 . 1 1 49 49 GLN H H 43 8.897 8.897 8.660 0.237 17610 8809 1 10 . 1 1 50 50 VAL N N 44 122.354 122.354 121.670 0.684 17610 8810 1 10 . 1 1 50 50 VAL HA H 44 4.772 4.772 4.645 0.127 17610 8811 1 10 . 1 1 50 50 VAL C C 44 173.116 173.116 173.432 -0.316 17610 8812 1 10 . 1 1 50 50 VAL CA C 44 59.238 59.238 59.358 -0.119 17610 8813 1 10 . 1 1 50 50 VAL CB C 44 35.888 35.888 35.359 0.529 17610 8814 1 10 . 1 1 50 50 VAL H H 44 9.104 9.104 8.560 0.544 17610 8815 1 10 . 1 1 51 51 VAL N N 45 122.385 122.385 120.432 1.953 17610 8816 1 10 . 1 1 51 51 VAL HA H 45 4.462 4.462 4.295 0.167 17610 8817 1 10 . 1 1 51 51 VAL C C 45 175.450 175.450 175.129 0.321 17610 8818 1 10 . 1 1 51 51 VAL CA C 45 61.832 61.832 61.954 -0.122 17610 8819 1 10 . 1 1 51 51 VAL CB C 45 32.228 32.228 31.130 1.098 17610 8820 1 10 . 1 1 51 51 VAL H H 45 8.100 8.100 8.431 -0.331 17610 8821 1 10 . 1 1 52 52 ILE N N 46 126.953 126.953 127.098 -0.145 17610 8822 1 10 . 1 1 52 52 ILE HA H 46 3.995 3.995 4.230 -0.235 17610 8823 1 10 . 1 1 52 52 ILE C C 46 176.424 176.424 176.051 0.373 17610 8824 1 10 . 1 1 52 52 ILE CA C 46 60.343 60.343 60.157 0.186 17610 8825 1 10 . 1 1 52 52 ILE CB C 46 40.096 40.096 40.438 -0.342 17610 8826 1 10 . 1 1 52 52 ILE H H 46 8.118 8.118 7.771 0.347 17610 8827 1 10 . 1 1 53 53 ASP N N 47 132.206 132.206 126.878 5.328 17610 8828 1 10 . 1 1 53 53 ASP HA H 47 4.267 4.267 4.354 -0.087 17610 8829 1 10 . 1 1 53 53 ASP C C 47 176.121 176.121 176.361 -0.240 17610 8830 1 10 . 1 1 53 53 ASP CA C 47 55.267 55.267 54.899 0.368 17610 8831 1 10 . 1 1 53 53 ASP CB C 47 39.203 39.203 40.174 -0.971 17610 8832 1 10 . 1 1 53 53 ASP H H 47 9.605 9.605 9.058 0.547 17610 8833 1 10 . 1 1 54 54 GLY N N 48 104.275 104.275 105.169 -0.894 17610 8834 1 10 . 1 1 54 54 GLY C C 48 173.219 173.219 173.673 -0.454 17610 8835 1 10 . 1 1 54 54 GLY CA C 48 45.318 45.318 45.497 -0.179 17610 8836 1 10 . 1 1 54 54 GLY H H 48 8.332 8.332 8.606 -0.274 17610 8837 1 10 . 1 1 55 55 GLU N N 49 123.384 123.384 119.786 3.598 17610 8838 1 10 . 1 1 55 55 GLU HA H 49 4.691 4.691 4.606 0.085 17610 8839 1 10 . 1 1 55 55 GLU C C 49 175.614 175.614 175.541 0.073 17610 8840 1 10 . 1 1 55 55 GLU CA C 49 54.719 54.719 55.010 -0.291 17610 8841 1 10 . 1 1 55 55 GLU CB C 49 31.803 31.803 32.099 -0.296 17610 8842 1 10 . 1 1 55 55 GLU H H 49 7.684 7.684 7.596 0.088 17610 8843 1 10 . 1 1 56 56 THR N N 50 127.153 127.153 123.324 3.829 17610 8844 1 10 . 1 1 56 56 THR HA H 50 4.727 4.727 4.398 0.329 17610 8845 1 10 . 1 1 56 56 THR C C 50 173.530 173.530 174.197 -0.667 17610 8846 1 10 . 1 1 56 56 THR CA C 50 63.521 63.521 64.526 -1.005 17610 8847 1 10 . 1 1 56 56 THR CB C 50 68.478 68.478 69.150 -0.672 17610 8848 1 10 . 1 1 56 56 THR H H 50 8.951 8.951 8.586 0.365 17610 8849 1 10 . 1 1 57 57 CYS N N 51 124.835 124.835 123.559 1.276 17610 8850 1 10 . 1 1 57 57 CYS HA H 51 5.086 5.086 4.776 0.310 17610 8851 1 10 . 1 1 57 57 CYS C C 51 170.937 170.937 172.856 -1.919 17610 8852 1 10 . 1 1 57 57 CYS CA C 51 56.423 56.423 58.343 -1.920 17610 8853 1 10 . 1 1 57 57 CYS CB C 51 31.549 31.549 31.671 -0.122 17610 8854 1 10 . 1 1 57 57 CYS H H 51 9.424 9.424 8.544 0.880 17610 8855 1 10 . 1 1 58 58 LEU N N 52 123.111 123.111 122.476 0.635 17610 8856 1 10 . 1 1 58 58 LEU HA H 52 4.943 4.943 4.679 0.264 17610 8857 1 10 . 1 1 58 58 LEU C C 52 175.044 175.044 175.643 -0.599 17610 8858 1 10 . 1 1 58 58 LEU CA C 52 53.372 53.372 54.343 -0.971 17610 8859 1 10 . 1 1 58 58 LEU CB C 52 44.304 44.304 43.364 0.941 17610 8860 1 10 . 1 1 58 58 LEU H H 52 8.803 8.803 9.095 -0.292 17610 8861 1 10 . 1 1 59 59 LEU N N 53 124.540 124.540 125.759 -1.219 17610 8862 1 10 . 1 1 59 59 LEU HA H 53 4.888 4.888 4.697 0.191 17610 8863 1 10 . 1 1 59 59 LEU C C 53 174.358 174.358 175.571 -1.213 17610 8864 1 10 . 1 1 59 59 LEU CA C 53 53.490 53.490 53.880 -0.390 17610 8865 1 10 . 1 1 59 59 LEU CB C 53 42.195 42.195 41.729 0.466 17610 8866 1 10 . 1 1 59 59 LEU H H 53 9.054 9.054 9.234 -0.180 17610 8867 1 10 . 1 1 60 60 ASP N N 54 126.666 126.666 124.864 1.802 17610 8868 1 10 . 1 1 60 60 ASP HA H 54 5.225 5.225 4.644 0.581 17610 8869 1 10 . 1 1 60 60 ASP C C 54 174.846 174.846 175.161 -0.315 17610 8870 1 10 . 1 1 60 60 ASP CA C 54 53.040 53.040 55.128 -2.088 17610 8871 1 10 . 1 1 60 60 ASP CB C 54 42.622 42.622 41.012 1.610 17610 8872 1 10 . 1 1 60 60 ASP H H 54 8.739 8.739 8.319 0.420 17610 8873 1 10 . 1 1 61 61 ILE N N 55 125.100 125.100 124.992 0.108 17610 8874 1 10 . 1 1 61 61 ILE HA H 55 4.690 4.690 4.263 0.427 17610 8875 1 10 . 1 1 61 61 ILE C C 55 174.745 174.745 174.859 -0.114 17610 8876 1 10 . 1 1 61 61 ILE CA C 55 60.331 60.331 59.074 1.258 17610 8877 1 10 . 1 1 61 61 ILE CB C 55 39.682 39.682 36.734 2.948 17610 8878 1 10 . 1 1 61 61 ILE H H 55 9.115 9.115 9.175 -0.060 17610 8879 1 10 . 1 1 62 62 LEU N N 56 131.208 131.208 130.260 0.948 17610 8880 1 10 . 1 1 62 62 LEU HA H 56 4.667 4.667 4.524 0.143 17610 8881 1 10 . 1 1 62 62 LEU C C 56 174.063 174.063 174.465 -0.402 17610 8882 1 10 . 1 1 62 62 LEU CA C 56 53.795 53.795 53.148 0.647 17610 8883 1 10 . 1 1 62 62 LEU CB C 56 42.256 42.256 42.385 -0.129 17610 8884 1 10 . 1 1 62 62 LEU H H 56 9.014 9.014 8.883 0.131 17610 8885 1 10 . 1 1 63 63 ASP N N 57 128.415 128.415 127.816 0.599 17610 8886 1 10 . 1 1 63 63 ASP HA H 57 4.783 4.783 4.809 -0.026 17610 8887 1 10 . 1 1 63 63 ASP C C 57 176.341 176.341 175.818 0.523 17610 8888 1 10 . 1 1 63 63 ASP CA C 57 52.988 52.988 53.013 -0.025 17610 8889 1 10 . 1 1 63 63 ASP CB C 57 41.837 41.837 43.059 -1.222 17610 8890 1 10 . 1 1 63 63 ASP H H 57 8.657 8.657 8.111 0.546 17610 8891 1 10 . 1 1 64 64 THR N N 58 114.950 114.950 116.572 -1.622 17610 8892 1 10 . 1 1 64 64 THR HA H 58 4.425 4.425 4.085 0.340 17610 8893 1 10 . 1 1 64 64 THR C C 58 172.734 172.734 174.143 -1.409 17610 8894 1 10 . 1 1 64 64 THR CA C 58 61.488 61.488 61.074 0.414 17610 8895 1 10 . 1 1 64 64 THR CB C 58 71.398 71.398 69.860 1.538 17610 8896 1 10 . 1 1 64 64 THR H H 58 7.369 7.369 7.975 -0.606 17610 8897 1 10 . 1 1 65 65 ALA N N 59 123.940 123.940 121.558 2.382 17610 8898 1 10 . 1 1 65 65 ALA HA H 59 4.764 4.764 4.477 0.287 17610 8899 1 10 . 1 1 65 65 ALA C C 59 179.480 179.480 178.466 1.014 17610 8900 1 10 . 1 1 65 65 ALA CA C 59 51.422 51.422 51.536 -0.114 17610 8901 1 10 . 1 1 65 65 ALA CB C 59 20.796 20.796 19.291 1.505 17610 8902 1 10 . 1 1 65 65 ALA H H 59 8.329 8.329 8.106 0.223 17610 8903 1 10 . 1 1 66 66 GLY N N 60 112.527 112.527 109.776 2.751 17610 8904 1 10 . 1 1 66 66 GLY C C 60 174.938 174.938 174.601 0.337 17610 8905 1 10 . 1 1 66 66 GLY CA C 60 46.057 46.057 46.353 -0.296 17610 8906 1 10 . 1 1 66 66 GLY H H 60 9.397 9.397 8.829 0.568 17610 8907 1 10 . 1 1 67 67 GLN N N 61 120.877 120.877 118.031 2.846 17610 8908 1 10 . 1 1 67 67 GLN HA H 61 4.422 4.422 4.617 -0.195 17610 8909 1 10 . 1 1 67 67 GLN C C 61 176.298 176.298 174.749 1.549 17610 8910 1 10 . 1 1 67 67 GLN CA C 61 56.355 56.355 54.402 1.953 17610 8911 1 10 . 1 1 67 67 GLN CB C 61 29.438 29.438 29.792 -0.354 17610 8912 1 10 . 1 1 67 67 GLN H H 61 8.237 8.237 7.648 0.589 17610 8913 1 10 . 1 1 68 68 GLU N N 62 123.751 123.751 118.603 5.148 17610 8914 1 10 . 1 1 68 68 GLU HA H 62 4.208 4.208 4.044 0.164 17610 8915 1 10 . 1 1 68 68 GLU C C 62 177.032 177.032 174.651 2.381 17610 8916 1 10 . 1 1 68 68 GLU CA C 62 57.801 57.801 56.733 1.068 17610 8917 1 10 . 1 1 68 68 GLU CB C 62 29.834 29.834 29.841 -0.007 17610 8918 1 10 . 1 1 68 68 GLU H H 62 8.738 8.738 8.603 0.135 17610 8919 1 10 . 1 1 69 69 GLU N N 63 121.861 121.861 123.434 -1.573 17610 8920 1 10 . 1 1 69 69 GLU HA H 63 4.228 4.228 4.153 0.075 17610 8921 1 10 . 1 1 69 69 GLU C C 63 176.145 176.145 175.339 0.806 17610 8922 1 10 . 1 1 69 69 GLU CA C 63 57.026 57.026 57.364 -0.338 17610 8923 1 10 . 1 1 69 69 GLU CB C 63 30.231 30.231 29.450 0.781 17610 8924 1 10 . 1 1 69 69 GLU H H 63 8.607 8.607 8.419 0.188 17610 8925 1 10 . 1 1 70 70 TYR N N 64 121.801 121.801 124.761 -2.960 17610 8926 1 10 . 1 1 70 70 TYR HA H 64 4.587 4.587 4.704 -0.117 17610 8927 1 10 . 1 1 70 70 TYR C C 64 175.965 175.965 174.593 1.372 17610 8928 1 10 . 1 1 70 70 TYR CA C 64 58.160 58.160 57.450 0.710 17610 8929 1 10 . 1 1 70 70 TYR CB C 64 38.288 38.288 40.538 -2.250 17610 8930 1 10 . 1 1 70 70 TYR H H 64 8.225 8.225 8.403 -0.178 17610 8931 1 10 . 1 1 71 71 SER N N 65 120.137 120.137 121.272 -1.135 17610 8932 1 10 . 1 1 71 71 SER HA H 65 4.269 4.269 4.523 -0.254 17610 8933 1 10 . 1 1 71 71 SER C C 65 174.912 174.912 175.493 -0.581 17610 8934 1 10 . 1 1 71 71 SER CA C 65 58.755 58.755 58.508 0.247 17610 8935 1 10 . 1 1 71 71 SER CB C 65 63.755 63.755 64.845 -1.090 17610 8936 1 10 . 1 1 71 71 SER H H 65 7.884 7.884 8.478 -0.594 17610 8937 1 10 . 1 1 72 72 ALA N N 66 127.848 127.848 125.926 1.922 17610 8938 1 10 . 1 1 72 72 ALA HA H 66 4.193 4.193 4.076 0.117 17610 8939 1 10 . 1 1 72 72 ALA C C 66 179.820 179.820 179.598 0.222 17610 8940 1 10 . 1 1 72 72 ALA CA C 66 54.595 54.595 55.202 -0.607 17610 8941 1 10 . 1 1 72 72 ALA CB C 66 18.264 18.264 18.074 0.190 17610 8942 1 10 . 1 1 72 72 ALA H H 66 8.706 8.706 8.335 0.371 17610 8943 1 10 . 1 1 73 73 MET N N 67 118.448 118.448 113.519 4.929 17610 8944 1 10 . 1 1 73 73 MET HA H 67 4.271 4.271 4.244 0.027 17610 8945 1 10 . 1 1 73 73 MET C C 67 177.098 177.098 177.449 -0.351 17610 8946 1 10 . 1 1 73 73 MET CA C 67 56.915 56.915 57.766 -0.851 17610 8947 1 10 . 1 1 73 73 MET CB C 67 32.031 32.031 31.756 0.275 17610 8948 1 10 . 1 1 73 73 MET H H 67 8.007 8.007 7.983 0.024 17610 8949 1 10 . 1 1 74 74 ARG N N 68 121.351 121.351 120.475 0.876 17610 8950 1 10 . 1 1 74 74 ARG HA H 68 3.793 3.793 4.264 -0.471 17610 8951 1 10 . 1 1 74 74 ARG C C 68 177.730 177.730 178.602 -0.872 17610 8952 1 10 . 1 1 74 74 ARG CA C 68 59.093 59.093 59.544 -0.451 17610 8953 1 10 . 1 1 74 74 ARG CB C 68 30.118 30.118 29.730 0.388 17610 8954 1 10 . 1 1 74 74 ARG H H 68 7.761 7.761 8.331 -0.570 17610 8955 1 10 . 1 1 75 75 ASP N N 69 119.938 119.938 118.326 1.612 17610 8956 1 10 . 1 1 75 75 ASP HA H 69 4.286 4.286 4.646 -0.360 17610 8957 1 10 . 1 1 75 75 ASP C C 69 177.998 177.998 177.773 0.225 17610 8958 1 10 . 1 1 75 75 ASP CA C 69 57.555 57.555 57.225 0.330 17610 8959 1 10 . 1 1 75 75 ASP CB C 69 40.401 40.401 40.754 -0.353 17610 8960 1 10 . 1 1 75 75 ASP H H 69 8.077 8.077 7.861 0.216 17610 8961 1 10 . 1 1 76 76 GLN N N 70 119.151 119.151 119.902 -0.751 17610 8962 1 10 . 1 1 76 76 GLN HA H 70 4.050 4.050 4.011 0.039 17610 8963 1 10 . 1 1 76 76 GLN C C 70 178.837 178.837 178.373 0.464 17610 8964 1 10 . 1 1 76 76 GLN CA C 70 58.920 58.920 58.482 0.438 17610 8965 1 10 . 1 1 76 76 GLN CB C 70 28.063 28.063 27.879 0.184 17610 8966 1 10 . 1 1 76 76 GLN H H 70 7.789 7.789 7.587 0.202 17610 8967 1 10 . 1 1 77 77 TYR N N 71 119.847 119.847 119.792 0.055 17610 8968 1 10 . 1 1 77 77 TYR HA H 71 4.548 4.548 4.359 0.189 17610 8969 1 10 . 1 1 77 77 TYR C C 71 178.680 178.680 178.327 0.353 17610 8970 1 10 . 1 1 77 77 TYR CA C 71 58.785 58.785 59.735 -0.950 17610 8971 1 10 . 1 1 77 77 TYR CB C 71 36.986 36.986 38.190 -1.204 17610 8972 1 10 . 1 1 77 77 TYR H H 71 8.131 8.131 7.499 0.632 17610 8973 1 10 . 1 1 78 78 MET N N 72 119.987 119.987 118.215 1.772 17610 8974 1 10 . 1 1 78 78 MET HA H 72 4.402 4.402 4.319 0.083 17610 8975 1 10 . 1 1 78 78 MET C C 72 177.008 177.008 178.967 -1.959 17610 8976 1 10 . 1 1 78 78 MET CA C 72 59.028 59.028 59.770 -0.742 17610 8977 1 10 . 1 1 78 78 MET CB C 72 32.709 32.709 32.437 0.272 17610 8978 1 10 . 1 1 78 78 MET H H 72 8.380 8.380 7.738 0.642 17610 8979 1 10 . 1 1 79 79 ARG N N 73 117.792 117.792 116.522 1.270 17610 8980 1 10 . 1 1 79 79 ARG HA H 73 3.914 3.914 4.149 -0.235 17610 8981 1 10 . 1 1 79 79 ARG C C 73 178.169 178.169 177.652 0.517 17610 8982 1 10 . 1 1 79 79 ARG CA C 73 59.493 59.493 58.934 0.560 17610 8983 1 10 . 1 1 79 79 ARG CB C 73 30.100 30.100 30.210 -0.110 17610 8984 1 10 . 1 1 79 79 ARG H H 73 7.992 7.992 7.770 0.222 17610 8985 1 10 . 1 1 80 80 THR N N 74 110.012 110.012 106.664 3.348 17610 8986 1 10 . 1 1 80 80 THR HA H 74 4.242 4.242 4.410 -0.168 17610 8987 1 10 . 1 1 80 80 THR C C 74 175.640 175.640 174.611 1.029 17610 8988 1 10 . 1 1 80 80 THR CA C 74 62.863 62.863 61.935 0.927 17610 8989 1 10 . 1 1 80 80 THR CB C 74 69.808 69.808 69.653 0.155 17610 8990 1 10 . 1 1 80 80 THR H H 74 7.718 7.718 7.257 0.461 17610 8991 1 10 . 1 1 81 81 GLY N N 75 109.297 109.297 109.677 -0.380 17610 8992 1 10 . 1 1 81 81 GLY C C 75 172.419 172.419 173.617 -1.198 17610 8993 1 10 . 1 1 81 81 GLY CA C 75 46.504 46.504 44.088 2.416 17610 8994 1 10 . 1 1 81 81 GLY H H 75 7.852 7.852 7.744 0.108 17610 8995 1 10 . 1 1 82 82 GLU N N 76 122.399 122.399 122.929 -0.530 17610 8996 1 10 . 1 1 82 82 GLU HA H 76 4.523 4.523 4.117 0.406 17610 8997 1 10 . 1 1 82 82 GLU C C 76 176.409 176.409 176.298 0.111 17610 8998 1 10 . 1 1 82 82 GLU CA C 76 56.469 56.469 58.747 -2.278 17610 8999 1 10 . 1 1 82 82 GLU CB C 76 32.049 32.049 30.313 1.736 17610 9000 1 10 . 1 1 82 82 GLU H H 76 8.879 8.879 8.139 0.740 17610 9001 1 10 . 1 1 83 83 GLY N N 77 102.282 102.282 103.948 -1.666 17610 9002 1 10 . 1 1 83 83 GLY C C 77 170.803 170.803 171.827 -1.024 17610 9003 1 10 . 1 1 83 83 GLY CA C 77 45.453 45.453 44.657 0.796 17610 9004 1 10 . 1 1 83 83 GLY H H 77 7.192 7.192 7.190 0.002 17610 9005 1 10 . 1 1 84 84 PHE N N 78 122.648 122.648 116.163 6.485 17610 9006 1 10 . 1 1 84 84 PHE HA H 78 5.448 5.448 5.230 0.218 17610 9007 1 10 . 1 1 84 84 PHE C C 78 173.734 173.734 173.845 -0.111 17610 9008 1 10 . 1 1 84 84 PHE CA C 78 57.065 57.065 57.445 -0.380 17610 9009 1 10 . 1 1 84 84 PHE CB C 78 42.997 42.997 44.173 -1.177 17610 9010 1 10 . 1 1 84 84 PHE H H 78 8.224 8.224 8.161 0.063 17610 9011 1 10 . 1 1 85 85 LEU N N 79 127.298 127.298 122.666 4.632 17610 9012 1 10 . 1 1 85 85 LEU HA H 79 4.690 4.690 5.217 -0.527 17610 9013 1 10 . 1 1 85 85 LEU C C 79 174.690 174.690 175.238 -0.548 17610 9014 1 10 . 1 1 85 85 LEU CA C 79 53.981 53.981 54.077 -0.096 17610 9015 1 10 . 1 1 85 85 LEU CB C 79 43.058 43.058 46.097 -3.039 17610 9016 1 10 . 1 1 85 85 LEU H H 79 9.189 9.189 8.811 0.378 17610 9017 1 10 . 1 1 86 86 CYS N N 80 125.581 125.581 126.156 -0.575 17610 9018 1 10 . 1 1 86 86 CYS HA H 80 4.689 4.689 4.787 -0.098 17610 9019 1 10 . 1 1 86 86 CYS C C 80 172.664 172.664 174.062 -1.398 17610 9020 1 10 . 1 1 86 86 CYS CA C 80 57.767 57.767 57.394 0.373 17610 9021 1 10 . 1 1 86 86 CYS CB C 80 27.397 27.397 26.864 0.533 17610 9022 1 10 . 1 1 86 86 CYS H H 80 8.720 8.720 9.365 -0.645 17610 9023 1 10 . 1 1 87 87 VAL N N 81 127.252 127.252 127.433 -0.181 17610 9024 1 10 . 1 1 87 87 VAL HA H 81 4.983 4.983 4.232 0.751 17610 9025 1 10 . 1 1 87 87 VAL C C 81 175.119 175.119 174.240 0.879 17610 9026 1 10 . 1 1 87 87 VAL CA C 81 61.275 61.275 61.943 -0.668 17610 9027 1 10 . 1 1 87 87 VAL CB C 81 33.407 33.407 31.426 1.981 17610 9028 1 10 . 1 1 87 87 VAL H H 81 9.028 9.028 8.904 0.124 17610 9029 1 10 . 1 1 88 88 PHE N N 82 125.157 125.157 125.977 -0.820 17610 9030 1 10 . 1 1 88 88 PHE HA H 82 4.992 4.992 5.111 -0.119 17610 9031 1 10 . 1 1 88 88 PHE C C 82 171.162 171.162 173.090 -1.928 17610 9032 1 10 . 1 1 88 88 PHE CA C 82 55.349 55.349 55.391 -0.042 17610 9033 1 10 . 1 1 88 88 PHE CB C 82 40.430 40.430 42.849 -2.419 17610 9034 1 10 . 1 1 88 88 PHE H H 82 9.306 9.306 7.987 1.319 17610 9035 1 10 . 1 1 89 89 ALA N N 83 122.321 122.321 126.303 -3.982 17610 9036 1 10 . 1 1 89 89 ALA HA H 83 5.082 5.082 4.465 0.617 17610 9037 1 10 . 1 1 89 89 ALA C C 83 179.267 179.267 178.033 1.234 17610 9038 1 10 . 1 1 89 89 ALA CA C 83 49.635 49.635 50.362 -0.727 17610 9039 1 10 . 1 1 89 89 ALA CB C 83 21.739 21.739 19.426 2.313 17610 9040 1 10 . 1 1 89 89 ALA H H 83 8.692 8.692 8.458 0.234 17610 9041 1 10 . 1 1 90 90 ILE N N 84 114.459 114.459 118.690 -4.231 17610 9042 1 10 . 1 1 90 90 ILE HA H 84 4.054 4.054 3.753 0.301 17610 9043 1 10 . 1 1 90 90 ILE C C 84 174.164 174.164 176.594 -2.430 17610 9044 1 10 . 1 1 90 90 ILE CA C 84 63.169 63.169 64.008 -0.839 17610 9045 1 10 . 1 1 90 90 ILE CB C 84 38.174 38.174 37.432 0.742 17610 9046 1 10 . 1 1 90 90 ILE H H 84 8.461 8.461 7.384 1.077 17610 9047 1 10 . 1 1 91 91 ASN N N 85 118.240 118.240 116.301 1.939 17610 9048 1 10 . 1 1 91 91 ASN HA H 85 5.049 5.049 4.747 0.302 17610 9049 1 10 . 1 1 91 91 ASN C C 85 174.583 174.583 175.058 -0.475 17610 9050 1 10 . 1 1 91 91 ASN CA C 85 52.161 52.161 55.045 -2.884 17610 9051 1 10 . 1 1 91 91 ASN CB C 85 38.132 38.132 38.722 -0.590 17610 9052 1 10 . 1 1 91 91 ASN H H 85 7.906 7.906 8.543 -0.637 17610 9053 1 10 . 1 1 92 92 ASN N N 86 120.345 120.345 118.204 2.141 17610 9054 1 10 . 1 1 92 92 ASN HA H 86 5.080 5.080 5.035 0.045 17610 9055 1 10 . 1 1 92 92 ASN C C 86 175.090 175.090 175.774 -0.684 17610 9056 1 10 . 1 1 92 92 ASN CA C 86 52.041 52.041 52.309 -0.268 17610 9057 1 10 . 1 1 92 92 ASN CB C 86 39.203 39.203 39.336 -0.133 17610 9058 1 10 . 1 1 92 92 ASN H H 86 7.931 7.931 7.460 0.471 17610 9059 1 10 . 1 1 93 93 THR N N 87 125.665 125.665 120.638 5.027 17610 9060 1 10 . 1 1 93 93 THR HA H 87 3.772 3.772 4.012 -0.240 17610 9061 1 10 . 1 1 93 93 THR C C 87 176.012 176.012 176.348 -0.336 17610 9062 1 10 . 1 1 93 93 THR CA C 87 66.753 66.753 67.266 -0.513 17610 9063 1 10 . 1 1 93 93 THR CB C 87 68.400 68.400 69.114 -0.714 17610 9064 1 10 . 1 1 93 93 THR H H 87 9.272 9.272 8.454 0.818 17610 9065 1 10 . 1 1 94 94 LYS N N 88 125.404 125.404 121.142 4.262 17610 9066 1 10 . 1 1 94 94 LYS HA H 88 4.186 4.186 4.080 0.106 17610 9067 1 10 . 1 1 94 94 LYS C C 88 178.027 178.027 179.349 -1.322 17610 9068 1 10 . 1 1 94 94 LYS CA C 88 59.359 59.359 59.824 -0.465 17610 9069 1 10 . 1 1 94 94 LYS CB C 88 31.292 31.292 31.906 -0.614 17610 9070 1 10 . 1 1 94 94 LYS H H 88 8.456 8.456 8.379 0.077 17610 9071 1 10 . 1 1 95 95 SER N N 89 115.491 115.491 116.235 -0.744 17610 9072 1 10 . 1 1 95 95 SER HA H 89 4.188 4.188 4.292 -0.103 17610 9073 1 10 . 1 1 95 95 SER C C 89 175.751 175.751 176.198 -0.447 17610 9074 1 10 . 1 1 95 95 SER CA C 89 61.751 61.751 61.608 0.143 17610 9075 1 10 . 1 1 95 95 SER CB C 89 63.530 63.530 62.726 0.804 17610 9076 1 10 . 1 1 95 95 SER H H 89 7.970 7.970 7.912 0.058 17610 9077 1 10 . 1 1 96 96 PHE N N 90 125.899 125.899 121.767 4.132 17610 9078 1 10 . 1 1 96 96 PHE HA H 90 4.037 4.037 3.818 0.219 17610 9079 1 10 . 1 1 96 96 PHE C C 90 177.267 177.267 176.784 0.483 17610 9080 1 10 . 1 1 96 96 PHE CA C 90 59.688 59.688 59.594 0.094 17610 9081 1 10 . 1 1 96 96 PHE CB C 90 40.175 40.175 38.611 1.564 17610 9082 1 10 . 1 1 96 96 PHE H H 90 7.419 7.419 7.672 -0.253 17610 9083 1 10 . 1 1 97 97 GLU N N 91 122.834 122.834 117.266 5.568 17610 9084 1 10 . 1 1 97 97 GLU HA H 91 3.787 3.787 3.755 0.032 17610 9085 1 10 . 1 1 97 97 GLU C C 91 179.628 179.628 178.017 1.611 17610 9086 1 10 . 1 1 97 97 GLU CA C 91 59.004 59.004 59.078 -0.074 17610 9087 1 10 . 1 1 97 97 GLU CB C 91 29.261 29.261 29.448 -0.187 17610 9088 1 10 . 1 1 97 97 GLU H H 91 8.449 8.449 8.163 0.286 17610 9089 1 10 . 1 1 98 98 ASP N N 92 118.617 118.617 120.543 -1.926 17610 9090 1 10 . 1 1 98 98 ASP HA H 92 4.553 4.553 4.420 0.133 17610 9091 1 10 . 1 1 98 98 ASP C C 92 177.582 177.582 178.458 -0.876 17610 9092 1 10 . 1 1 98 98 ASP CA C 92 56.171 56.171 57.135 -0.964 17610 9093 1 10 . 1 1 98 98 ASP CB C 92 41.184 41.184 40.490 0.694 17610 9094 1 10 . 1 1 98 98 ASP H H 92 8.492 8.492 7.446 1.046 17610 9095 1 10 . 1 1 99 99 ILE N N 93 121.939 121.939 117.644 4.295 17610 9096 1 10 . 1 1 99 99 ILE HA H 93 3.954 3.954 4.092 -0.138 17610 9097 1 10 . 1 1 99 99 ILE C C 93 177.442 177.442 177.609 -0.167 17610 9098 1 10 . 1 1 99 99 ILE CA C 93 62.370 62.370 63.185 -0.816 17610 9099 1 10 . 1 1 99 99 ILE CB C 93 34.570 34.570 36.714 -2.144 17610 9100 1 10 . 1 1 99 99 ILE H H 93 7.583 7.583 7.670 -0.087 17610 9101 1 10 . 1 1 100 100 HIS N N 94 118.387 118.387 119.524 -1.137 17610 9102 1 10 . 1 1 100 100 HIS HA H 94 4.273 4.273 4.466 -0.193 17610 9103 1 10 . 1 1 100 100 HIS C C 94 177.345 177.345 177.101 0.244 17610 9104 1 10 . 1 1 100 100 HIS CA C 94 60.090 60.090 59.276 0.814 17610 9105 1 10 . 1 1 100 100 HIS CB C 94 30.512 30.512 30.229 0.283 17610 9106 1 10 . 1 1 100 100 HIS H H 94 7.799 7.799 7.367 0.432 17610 9107 1 10 . 1 1 101 101 GLN N N 95 117.673 117.673 117.794 -0.121 17610 9108 1 10 . 1 1 101 101 GLN HA H 95 3.941 3.941 3.809 0.132 17610 9109 1 10 . 1 1 101 101 GLN C C 95 179.155 179.155 178.152 1.003 17610 9110 1 10 . 1 1 101 101 GLN CA C 95 58.371 58.371 58.069 0.302 17610 9111 1 10 . 1 1 101 101 GLN CB C 95 27.807 27.807 27.546 0.261 17610 9112 1 10 . 1 1 101 101 GLN H H 95 7.468 7.468 7.576 -0.108 17610 9113 1 10 . 1 1 102 102 TYR N N 96 120.407 120.407 120.043 0.364 17610 9114 1 10 . 1 1 102 102 TYR HA H 96 4.064 4.064 4.114 -0.050 17610 9115 1 10 . 1 1 102 102 TYR C C 96 177.660 177.660 177.908 -0.248 17610 9116 1 10 . 1 1 102 102 TYR CA C 96 62.847 62.847 61.123 1.724 17610 9117 1 10 . 1 1 102 102 TYR CB C 96 37.795 37.795 38.122 -0.327 17610 9118 1 10 . 1 1 102 102 TYR H H 96 7.600 7.600 8.546 -0.946 17610 9119 1 10 . 1 1 103 103 ARG N N 97 119.974 119.974 119.351 0.623 17610 9120 1 10 . 1 1 103 103 ARG HA H 97 3.616 3.616 3.851 -0.235 17610 9121 1 10 . 1 1 103 103 ARG C C 97 177.618 177.618 177.758 -0.140 17610 9122 1 10 . 1 1 103 103 ARG CA C 97 59.938 59.938 60.034 -0.096 17610 9123 1 10 . 1 1 103 103 ARG CB C 97 28.599 28.599 29.736 -1.137 17610 9124 1 10 . 1 1 103 103 ARG H H 97 8.395 8.395 7.670 0.725 17610 9125 1 10 . 1 1 104 104 GLU N N 98 118.351 118.351 117.197 1.154 17610 9126 1 10 . 1 1 104 104 GLU HA H 98 3.781 3.781 3.886 -0.105 17610 9127 1 10 . 1 1 104 104 GLU C C 98 178.982 178.982 178.868 0.114 17610 9128 1 10 . 1 1 104 104 GLU CA C 98 58.900 58.900 59.453 -0.553 17610 9129 1 10 . 1 1 104 104 GLU CB C 98 29.435 29.435 28.702 0.733 17610 9130 1 10 . 1 1 104 104 GLU H H 98 7.970 7.970 8.512 -0.542 17610 9131 1 10 . 1 1 105 105 GLN N N 99 121.350 121.350 118.736 2.614 17610 9132 1 10 . 1 1 105 105 GLN HA H 99 3.946 3.946 4.114 -0.168 17610 9133 1 10 . 1 1 105 105 GLN C C 99 177.701 177.701 178.318 -0.617 17610 9134 1 10 . 1 1 105 105 GLN CA C 99 59.037 59.037 58.565 0.472 17610 9135 1 10 . 1 1 105 105 GLN CB C 99 27.938 27.938 29.027 -1.089 17610 9136 1 10 . 1 1 105 105 GLN H H 99 7.907 7.907 7.384 0.523 17610 9137 1 10 . 1 1 106 106 ILE N N 100 121.310 121.310 121.476 -0.166 17610 9138 1 10 . 1 1 106 106 ILE HA H 100 3.177 3.177 3.418 -0.241 17610 9139 1 10 . 1 1 106 106 ILE C C 100 177.199 177.199 178.094 -0.895 17610 9140 1 10 . 1 1 106 106 ILE CA C 100 65.682 65.682 65.201 0.481 17610 9141 1 10 . 1 1 106 106 ILE CB C 100 37.874 37.874 37.478 0.396 17610 9142 1 10 . 1 1 106 106 ILE H H 100 7.920 7.920 7.357 0.563 17610 9143 1 10 . 1 1 107 107 LYS N N 101 118.584 118.584 118.960 -0.376 17610 9144 1 10 . 1 1 107 107 LYS HA H 101 3.951 3.951 4.114 -0.163 17610 9145 1 10 . 1 1 107 107 LYS C C 101 179.476 179.476 179.297 0.179 17610 9146 1 10 . 1 1 107 107 LYS CA C 101 59.571 59.571 59.438 0.133 17610 9147 1 10 . 1 1 107 107 LYS CB C 101 32.227 32.227 31.938 0.289 17610 9148 1 10 . 1 1 107 107 LYS H H 101 7.782 7.782 8.115 -0.333 17610 9149 1 10 . 1 1 108 108 ARG N N 102 119.152 119.152 119.015 0.137 17610 9150 1 10 . 1 1 108 108 ARG HA H 102 4.082 4.082 3.978 0.104 17610 9151 1 10 . 1 1 108 108 ARG C C 102 179.582 179.582 178.238 1.344 17610 9152 1 10 . 1 1 108 108 ARG CA C 102 58.946 58.946 59.178 -0.233 17610 9153 1 10 . 1 1 108 108 ARG CB C 102 30.097 30.097 30.166 -0.069 17610 9154 1 10 . 1 1 108 108 ARG H H 102 7.777 7.777 7.262 0.515 17610 9155 1 10 . 1 1 109 109 VAL N N 103 119.544 119.544 119.298 0.246 17610 9156 1 10 . 1 1 109 109 VAL HA H 103 3.837 3.837 3.748 0.089 17610 9157 1 10 . 1 1 109 109 VAL C C 103 177.919 177.919 178.016 -0.097 17610 9158 1 10 . 1 1 109 109 VAL CA C 103 65.393 65.393 65.559 -0.166 17610 9159 1 10 . 1 1 109 109 VAL CB C 103 31.599 31.599 31.625 -0.026 17610 9160 1 10 . 1 1 109 109 VAL H H 103 8.282 8.282 7.606 0.676 17610 9161 1 10 . 1 1 110 110 LYS N N 104 117.592 117.592 117.869 -0.277 17610 9162 1 10 . 1 1 110 110 LYS HA H 104 4.269 4.269 4.180 0.089 17610 9163 1 10 . 1 1 110 110 LYS C C 104 175.878 175.878 176.480 -0.602 17610 9164 1 10 . 1 1 110 110 LYS CA C 104 54.797 54.797 56.408 -1.611 17610 9165 1 10 . 1 1 110 110 LYS CB C 104 30.687 30.687 32.333 -1.646 17610 9166 1 10 . 1 1 110 110 LYS H H 104 8.117 8.117 8.105 0.012 17610 9167 1 10 . 1 1 111 111 ASP N N 105 122.118 122.118 117.607 4.511 17610 9168 1 10 . 1 1 111 111 ASP HA H 105 4.306 4.306 4.349 -0.043 17610 9169 1 10 . 1 1 111 111 ASP C C 105 174.496 174.496 175.044 -0.548 17610 9170 1 10 . 1 1 111 111 ASP CA C 105 54.442 54.442 55.144 -0.702 17610 9171 1 10 . 1 1 111 111 ASP CB C 105 39.792 39.792 39.681 0.111 17610 9172 1 10 . 1 1 111 111 ASP H H 105 7.958 7.958 7.953 0.005 17610 9173 1 10 . 1 1 112 112 SER N N 106 110.372 110.372 112.017 -1.645 17610 9174 1 10 . 1 1 112 112 SER HA H 106 4.565 4.565 4.567 -0.002 17610 9175 1 10 . 1 1 112 112 SER C C 106 172.985 172.985 173.030 -0.045 17610 9176 1 10 . 1 1 112 112 SER CA C 106 56.779 56.779 57.772 -0.993 17610 9177 1 10 . 1 1 112 112 SER CB C 106 65.259 65.259 64.767 0.492 17610 9178 1 10 . 1 1 112 112 SER H H 106 7.539 7.539 7.555 -0.016 17610 9179 1 10 . 1 1 113 113 ASP N N 107 123.301 123.301 123.225 0.076 17610 9180 1 10 . 1 1 113 113 ASP HA H 107 4.665 4.665 4.466 0.199 17610 9181 1 10 . 1 1 113 113 ASP C C 107 176.066 176.066 175.647 0.419 17610 9182 1 10 . 1 1 113 113 ASP CA C 107 54.267 54.267 55.221 -0.954 17610 9183 1 10 . 1 1 113 113 ASP CB C 107 41.837 41.837 41.278 0.559 17610 9184 1 10 . 1 1 113 113 ASP H H 107 8.385 8.385 8.763 -0.378 17610 9185 1 10 . 1 1 114 114 ASP N N 108 122.347 122.347 122.137 0.210 17610 9186 1 10 . 1 1 114 114 ASP HA H 108 4.882 4.882 4.677 0.205 17610 9187 1 10 . 1 1 114 114 ASP C C 108 174.386 174.386 175.245 -0.859 17610 9188 1 10 . 1 1 114 114 ASP CA C 108 53.143 53.143 55.292 -2.149 17610 9189 1 10 . 1 1 114 114 ASP CB C 108 41.323 41.323 40.501 0.822 17610 9190 1 10 . 1 1 114 114 ASP H H 108 8.404 8.404 8.277 0.127 17610 9191 1 10 . 1 1 115 115 VAL N N 109 123.609 123.609 124.092 -0.483 17610 9192 1 10 . 1 1 115 115 VAL HA H 109 4.337 4.337 4.484 -0.147 17610 9193 1 10 . 1 1 115 115 VAL CA C 109 58.984 58.984 58.766 0.218 17610 9194 1 10 . 1 1 115 115 VAL CB C 109 34.932 34.932 35.574 -0.642 17610 9195 1 10 . 1 1 115 115 VAL H H 109 7.649 7.649 7.721 -0.072 17610 9196 1 10 . 1 1 116 116 PRO HA H 110 4.430 4.430 4.650 -0.220 17610 9197 1 10 . 1 1 116 116 PRO C C 110 175.942 175.942 175.649 0.293 17610 9198 1 10 . 1 1 116 116 PRO CA C 110 63.872 63.872 63.015 0.857 17610 9199 1 10 . 1 1 116 116 PRO CB C 110 32.120 32.120 30.774 1.346 17610 9200 1 10 . 1 1 117 117 MET N N 111 124.020 124.020 119.932 4.088 17610 9201 1 10 . 1 1 117 117 MET HA H 111 5.777 5.777 5.544 0.233 17610 9202 1 10 . 1 1 117 117 MET C C 111 173.737 173.737 173.823 -0.086 17610 9203 1 10 . 1 1 117 117 MET CA C 111 55.094 55.094 53.995 1.099 17610 9204 1 10 . 1 1 117 117 MET CB C 111 37.889 37.889 36.869 1.020 17610 9205 1 10 . 1 1 117 117 MET H H 111 8.274 8.274 7.889 0.385 17610 9206 1 10 . 1 1 118 118 VAL N N 112 118.747 118.747 116.028 2.719 17610 9207 1 10 . 1 1 118 118 VAL HA H 112 4.341 4.341 4.526 -0.185 17610 9208 1 10 . 1 1 118 118 VAL C C 112 173.171 173.171 173.705 -0.534 17610 9209 1 10 . 1 1 118 118 VAL CA C 112 60.943 60.943 60.647 0.296 17610 9210 1 10 . 1 1 118 118 VAL CB C 112 37.030 37.030 36.412 0.618 17610 9211 1 10 . 1 1 118 118 VAL H H 112 8.119 8.119 8.791 -0.672 17610 9212 1 10 . 1 1 119 119 LEU N N 113 129.931 129.931 127.483 2.448 17610 9213 1 10 . 1 1 119 119 LEU HA H 113 5.157 5.157 5.141 0.016 17610 9214 1 10 . 1 1 119 119 LEU C C 113 173.496 173.496 175.051 -1.555 17610 9215 1 10 . 1 1 119 119 LEU CA C 113 53.828 53.828 53.281 0.547 17610 9216 1 10 . 1 1 119 119 LEU CB C 113 43.876 43.876 43.813 0.063 17610 9217 1 10 . 1 1 119 119 LEU H H 113 8.918 8.918 8.287 0.631 17610 9218 1 10 . 1 1 120 120 VAL N N 114 129.371 129.371 127.055 2.316 17610 9219 1 10 . 1 1 120 120 VAL HA H 114 5.117 5.117 4.642 0.475 17610 9220 1 10 . 1 1 120 120 VAL C C 114 173.667 173.667 175.988 -2.321 17610 9221 1 10 . 1 1 120 120 VAL CA C 114 60.124 60.124 60.746 -0.622 17610 9222 1 10 . 1 1 120 120 VAL CB C 114 35.225 35.225 33.745 1.480 17610 9223 1 10 . 1 1 120 120 VAL H H 114 9.173 9.173 8.961 0.212 17610 9224 1 10 . 1 1 121 121 GLY N N 115 115.789 115.789 109.887 5.902 17610 9225 1 10 . 1 1 121 121 GLY C C 115 171.603 171.603 173.913 -2.310 17610 9226 1 10 . 1 1 121 121 GLY CA C 115 45.256 45.256 43.272 1.984 17610 9227 1 10 . 1 1 121 121 GLY H H 115 8.046 8.046 8.363 -0.317 17610 9228 1 10 . 1 1 122 122 ASN N N 116 122.349 122.349 122.471 -0.122 17610 9229 1 10 . 1 1 122 122 ASN HA H 116 5.620 5.620 4.593 1.027 17610 9230 1 10 . 1 1 122 122 ASN C C 116 174.732 174.732 175.064 -0.332 17610 9231 1 10 . 1 1 122 122 ASN CA C 116 51.492 51.492 54.074 -2.582 17610 9232 1 10 . 1 1 122 122 ASN CB C 116 41.323 41.323 39.758 1.565 17610 9233 1 10 . 1 1 122 122 ASN H H 116 8.756 8.756 7.533 1.223 17610 9234 1 10 . 1 1 123 123 LYS N N 117 113.297 113.297 118.833 -5.536 17610 9235 1 10 . 1 1 123 123 LYS HA H 117 4.280 4.280 3.966 0.314 17610 9236 1 10 . 1 1 123 123 LYS C C 117 177.324 177.324 175.860 1.464 17610 9237 1 10 . 1 1 123 123 LYS CA C 117 57.273 57.273 57.368 -0.096 17610 9238 1 10 . 1 1 123 123 LYS CB C 117 29.775 29.775 30.300 -0.525 17610 9239 1 10 . 1 1 123 123 LYS H H 117 7.342 7.342 8.812 -1.470 17610 9240 1 10 . 1 1 124 124 CYS N N 118 115.340 115.340 119.119 -3.779 17610 9241 1 10 . 1 1 124 124 CYS HA H 118 4.292 4.292 4.422 -0.130 17610 9242 1 10 . 1 1 124 124 CYS C C 118 173.325 173.325 174.811 -1.486 17610 9243 1 10 . 1 1 124 124 CYS CA C 118 60.698 60.698 58.522 2.176 17610 9244 1 10 . 1 1 124 124 CYS CB C 118 26.387 26.387 27.843 -1.456 17610 9245 1 10 . 1 1 124 124 CYS H H 118 8.763 8.763 8.888 -0.125 17610 9246 1 10 . 1 1 125 125 ASP N N 119 118.603 118.603 119.901 -1.298 17610 9247 1 10 . 1 1 125 125 ASP HA H 119 4.476 4.476 4.497 -0.021 17610 9248 1 10 . 1 1 125 125 ASP C C 119 175.464 175.464 175.868 -0.404 17610 9249 1 10 . 1 1 125 125 ASP CA C 119 53.951 53.951 54.936 -0.985 17610 9250 1 10 . 1 1 125 125 ASP CB C 119 41.323 41.323 40.190 1.133 17610 9251 1 10 . 1 1 125 125 ASP H H 119 8.613 8.613 8.511 0.102 17610 9252 1 10 . 1 1 126 126 LEU N N 120 122.098 122.098 120.807 1.291 17610 9253 1 10 . 1 1 126 126 LEU HA H 120 4.241 4.241 4.177 0.064 17610 9254 1 10 . 1 1 126 126 LEU C C 120 176.420 176.420 176.826 -0.406 17610 9255 1 10 . 1 1 126 126 LEU CA C 120 54.723 54.723 55.039 -0.316 17610 9256 1 10 . 1 1 126 126 LEU CB C 120 41.837 41.837 42.630 -0.793 17610 9257 1 10 . 1 1 126 126 LEU H H 120 7.802 7.802 7.567 0.235 17610 9258 1 10 . 1 1 127 127 ALA N N 121 123.959 123.959 124.710 -0.751 17610 9259 1 10 . 1 1 127 127 ALA HA H 121 4.214 4.214 4.372 -0.158 17610 9260 1 10 . 1 1 127 127 ALA C C 121 178.717 178.717 176.481 2.236 17610 9261 1 10 . 1 1 127 127 ALA CA C 121 53.179 53.179 52.051 1.128 17610 9262 1 10 . 1 1 127 127 ALA CB C 121 18.871 18.871 18.811 0.061 17610 9263 1 10 . 1 1 127 127 ALA H H 121 8.160 8.160 8.378 -0.218 17610 9264 1 10 . 1 1 128 128 ALA N N 122 123.078 123.078 122.216 0.862 17610 9265 1 10 . 1 1 128 128 ALA HA H 122 4.524 4.524 4.517 0.007 17610 9266 1 10 . 1 1 128 128 ALA C C 122 175.272 175.272 175.995 -0.723 17610 9267 1 10 . 1 1 128 128 ALA CA C 122 51.259 51.259 51.806 -0.547 17610 9268 1 10 . 1 1 128 128 ALA CB C 122 17.623 17.623 19.338 -1.715 17610 9269 1 10 . 1 1 128 128 ALA H H 122 7.698 7.698 7.800 -0.102 17610 9270 1 10 . 1 1 129 129 ARG N N 123 121.454 121.454 120.282 1.172 17610 9271 1 10 . 1 1 129 129 ARG HA H 123 4.093 4.093 4.409 -0.316 17610 9272 1 10 . 1 1 129 129 ARG C C 123 176.271 176.271 176.074 0.197 17610 9273 1 10 . 1 1 129 129 ARG CA C 123 55.596 55.596 55.373 0.223 17610 9274 1 10 . 1 1 129 129 ARG CB C 123 32.696 32.696 30.985 1.711 17610 9275 1 10 . 1 1 129 129 ARG H H 123 7.992 7.992 7.921 0.071 17610 9276 1 10 . 1 1 130 130 THR N N 124 115.617 115.617 113.379 2.238 17610 9277 1 10 . 1 1 130 130 THR HA H 124 4.564 4.564 4.433 0.131 17610 9278 1 10 . 1 1 130 130 THR C C 124 174.119 174.119 175.008 -0.889 17610 9279 1 10 . 1 1 130 130 THR CA C 124 61.746 61.746 62.562 -0.816 17610 9280 1 10 . 1 1 130 130 THR CB C 124 69.094 69.094 70.045 -0.951 17610 9281 1 10 . 1 1 130 130 THR H H 124 9.145 9.145 8.845 0.300 17610 9282 1 10 . 1 1 131 131 VAL N N 125 125.688 125.688 124.599 1.089 17610 9283 1 10 . 1 1 131 131 VAL HA H 125 4.015 4.015 4.146 -0.131 17610 9284 1 10 . 1 1 131 131 VAL C C 125 175.658 175.658 174.582 1.076 17610 9285 1 10 . 1 1 131 131 VAL CA C 125 61.373 61.373 61.482 -0.109 17610 9286 1 10 . 1 1 131 131 VAL CB C 125 33.147 33.147 32.485 0.662 17610 9287 1 10 . 1 1 131 131 VAL H H 125 7.618 7.618 8.016 -0.398 17610 9288 1 10 . 1 1 132 132 GLU N N 126 128.319 128.319 127.029 1.290 17610 9289 1 10 . 1 1 132 132 GLU HA H 126 4.228 4.228 4.329 -0.101 17610 9290 1 10 . 1 1 132 132 GLU C C 126 177.986 177.986 177.466 0.520 17610 9291 1 10 . 1 1 132 132 GLU CA C 126 56.323 56.323 55.925 0.398 17610 9292 1 10 . 1 1 132 132 GLU CB C 126 30.158 30.158 30.796 -0.638 17610 9293 1 10 . 1 1 132 132 GLU H H 126 8.727 8.727 8.402 0.325 17610 9294 1 10 . 1 1 133 133 SER N N 127 122.970 122.970 116.781 6.189 17610 9295 1 10 . 1 1 133 133 SER HA H 127 4.074 4.074 4.214 -0.140 17610 9296 1 10 . 1 1 133 133 SER C C 127 176.633 176.633 176.201 0.432 17610 9297 1 10 . 1 1 133 133 SER CA C 127 62.598 62.598 61.070 1.528 17610 9298 1 10 . 1 1 133 133 SER CB C 127 62.511 62.511 63.074 -0.562 17610 9299 1 10 . 1 1 133 133 SER H H 127 9.421 9.421 8.966 0.455 17610 9300 1 10 . 1 1 134 134 ARG N N 128 119.141 119.141 121.743 -2.602 17610 9301 1 10 . 1 1 134 134 ARG HA H 128 4.028 4.028 4.060 -0.032 17610 9302 1 10 . 1 1 134 134 ARG C C 128 177.739 177.739 178.243 -0.504 17610 9303 1 10 . 1 1 134 134 ARG CA C 128 58.785 58.785 58.677 0.108 17610 9304 1 10 . 1 1 134 134 ARG CB C 128 29.752 29.752 29.396 0.356 17610 9305 1 10 . 1 1 134 134 ARG H H 128 8.675 8.675 8.468 0.207 17610 9306 1 10 . 1 1 135 135 GLN N N 129 118.050 118.050 117.958 0.092 17610 9307 1 10 . 1 1 135 135 GLN HA H 129 4.091 4.091 4.068 0.023 17610 9308 1 10 . 1 1 135 135 GLN C C 129 179.009 179.009 178.040 0.969 17610 9309 1 10 . 1 1 135 135 GLN CA C 129 58.389 58.389 58.416 -0.027 17610 9310 1 10 . 1 1 135 135 GLN CB C 129 28.916 28.916 28.656 0.260 17610 9311 1 10 . 1 1 135 135 GLN H H 129 6.796 6.796 7.655 -0.859 17610 9312 1 10 . 1 1 136 136 ALA N N 130 124.769 124.769 121.495 3.274 17610 9313 1 10 . 1 1 136 136 ALA HA H 130 3.933 3.933 3.122 0.811 17610 9314 1 10 . 1 1 136 136 ALA C C 130 178.155 178.155 179.473 -1.318 17610 9315 1 10 . 1 1 136 136 ALA CA C 130 54.760 54.760 54.204 0.556 17610 9316 1 10 . 1 1 136 136 ALA CB C 130 18.546 18.546 17.583 0.963 17610 9317 1 10 . 1 1 136 136 ALA H H 130 7.017 7.017 7.618 -0.601 17610 9318 1 10 . 1 1 137 137 GLN N N 131 119.215 119.215 117.283 1.932 17610 9319 1 10 . 1 1 137 137 GLN HA H 131 3.720 3.720 3.885 -0.165 17610 9320 1 10 . 1 1 137 137 GLN C C 131 179.387 179.387 177.726 1.661 17610 9321 1 10 . 1 1 137 137 GLN CA C 131 58.815 58.815 59.285 -0.470 17610 9322 1 10 . 1 1 137 137 GLN CB C 131 28.503 28.503 28.619 -0.116 17610 9323 1 10 . 1 1 137 137 GLN H H 131 8.602 8.602 8.215 0.387 17610 9324 1 10 . 1 1 138 138 ASP N N 132 121.298 121.298 121.115 0.183 17610 9325 1 10 . 1 1 138 138 ASP HA H 132 4.371 4.371 4.369 0.002 17610 9326 1 10 . 1 1 138 138 ASP C C 132 178.855 178.855 178.535 0.320 17610 9327 1 10 . 1 1 138 138 ASP CA C 132 57.425 57.425 57.335 0.090 17610 9328 1 10 . 1 1 138 138 ASP CB C 132 40.860 40.860 40.737 0.123 17610 9329 1 10 . 1 1 138 138 ASP H H 132 8.203 8.203 7.587 0.616 17610 9330 1 10 . 1 1 139 139 LEU N N 133 124.786 124.786 120.810 3.976 17610 9331 1 10 . 1 1 139 139 LEU HA H 133 3.888 3.888 4.023 -0.135 17610 9332 1 10 . 1 1 139 139 LEU C C 133 178.953 178.953 177.975 0.978 17610 9333 1 10 . 1 1 139 139 LEU CA C 133 57.827 57.827 57.620 0.207 17610 9334 1 10 . 1 1 139 139 LEU CB C 133 41.837 41.837 41.639 0.198 17610 9335 1 10 . 1 1 139 139 LEU H H 133 7.485 7.485 7.350 0.135 17610 9336 1 10 . 1 1 140 140 ALA N N 134 123.038 123.038 121.637 1.401 17610 9337 1 10 . 1 1 140 140 ALA HA H 134 3.783 3.783 3.835 -0.052 17610 9338 1 10 . 1 1 140 140 ALA C C 134 179.902 179.902 179.245 0.657 17610 9339 1 10 . 1 1 140 140 ALA CA C 134 55.832 55.832 55.408 0.424 17610 9340 1 10 . 1 1 140 140 ALA CB C 134 18.120 18.120 18.283 -0.163 17610 9341 1 10 . 1 1 140 140 ALA H H 134 8.426 8.426 7.506 0.920 17610 9342 1 10 . 1 1 141 141 ARG N N 135 119.537 119.537 118.171 1.366 17610 9343 1 10 . 1 1 141 141 ARG HA H 135 4.194 4.194 3.985 0.209 17610 9344 1 10 . 1 1 141 141 ARG C C 135 180.037 180.037 178.771 1.266 17610 9345 1 10 . 1 1 141 141 ARG CA C 135 59.331 59.331 59.625 -0.294 17610 9346 1 10 . 1 1 141 141 ARG CB C 135 29.864 29.864 30.141 -0.277 17610 9347 1 10 . 1 1 141 141 ARG H H 135 8.459 8.459 8.638 -0.179 17610 9348 1 10 . 1 1 142 142 SER N N 136 118.958 118.958 113.185 5.773 17610 9349 1 10 . 1 1 142 142 SER HA H 136 4.277 4.277 4.322 -0.045 17610 9350 1 10 . 1 1 142 142 SER C C 136 176.127 176.127 176.342 -0.215 17610 9351 1 10 . 1 1 142 142 SER CA C 136 61.509 61.509 60.935 0.574 17610 9352 1 10 . 1 1 142 142 SER CB C 136 62.529 62.529 63.344 -0.815 17610 9353 1 10 . 1 1 142 142 SER H H 136 7.944 7.944 7.536 0.408 17610 9354 1 10 . 1 1 143 143 TYR N N 137 121.309 121.309 118.956 2.353 17610 9355 1 10 . 1 1 143 143 TYR HA H 137 4.907 4.907 4.446 0.461 17610 9356 1 10 . 1 1 143 143 TYR C C 137 176.279 176.279 177.142 -0.863 17610 9357 1 10 . 1 1 143 143 TYR CA C 137 54.737 54.737 57.624 -2.887 17610 9358 1 10 . 1 1 143 143 TYR CB C 137 38.830 38.830 39.276 -0.446 17610 9359 1 10 . 1 1 143 143 TYR H H 137 7.623 7.623 7.812 -0.189 17610 9360 1 10 . 1 1 144 144 GLY N N 138 112.193 112.193 107.319 4.874 17610 9361 1 10 . 1 1 144 144 GLY C C 138 175.077 175.077 174.461 0.616 17610 9362 1 10 . 1 1 144 144 GLY CA C 138 46.439 46.439 45.586 0.853 17610 9363 1 10 . 1 1 144 144 GLY H H 138 8.328 8.328 8.311 0.017 17610 9364 1 10 . 1 1 145 145 ILE N N 139 114.227 114.227 116.810 -2.583 17610 9365 1 10 . 1 1 145 145 ILE HA H 139 5.241 5.241 4.837 0.404 17610 9366 1 10 . 1 1 145 145 ILE CA C 139 58.420 58.420 58.082 0.338 17610 9367 1 10 . 1 1 145 145 ILE CB C 139 38.543 38.543 39.125 -0.582 17610 9368 1 10 . 1 1 145 145 ILE H H 139 8.059 8.059 7.526 0.533 17610 9369 1 10 . 1 1 146 146 PRO HA H 140 4.627 4.627 4.499 0.128 17610 9370 1 10 . 1 1 146 146 PRO C C 140 174.570 174.570 175.281 -0.711 17610 9371 1 10 . 1 1 146 146 PRO CA C 140 62.362 62.362 62.414 -0.052 17610 9372 1 10 . 1 1 146 146 PRO CB C 140 33.057 33.057 32.578 0.479 17610 9373 1 10 . 1 1 147 147 TYR N N 141 121.135 121.135 121.881 -0.746 17610 9374 1 10 . 1 1 147 147 TYR HA H 141 5.997 5.997 5.368 0.629 17610 9375 1 10 . 1 1 147 147 TYR C C 141 174.492 174.492 174.076 0.416 17610 9376 1 10 . 1 1 147 147 TYR CA C 141 54.912 54.912 55.788 -0.876 17610 9377 1 10 . 1 1 147 147 TYR CB C 141 40.972 40.972 40.554 0.418 17610 9378 1 10 . 1 1 147 147 TYR H H 141 8.252 8.252 8.464 -0.212 17610 9379 1 10 . 1 1 148 148 ILE N N 142 131.362 131.362 127.016 4.346 17610 9380 1 10 . 1 1 148 148 ILE HA H 142 3.948 3.948 4.292 -0.344 17610 9381 1 10 . 1 1 148 148 ILE C C 142 172.977 172.977 174.385 -1.408 17610 9382 1 10 . 1 1 148 148 ILE CA C 142 59.383 59.383 59.111 0.272 17610 9383 1 10 . 1 1 148 148 ILE CB C 142 42.260 42.260 42.470 -0.210 17610 9384 1 10 . 1 1 148 148 ILE H H 142 8.495 8.495 9.109 -0.614 17610 9385 1 10 . 1 1 149 149 GLU N N 143 125.874 125.874 120.550 5.324 17610 9386 1 10 . 1 1 149 149 GLU HA H 143 4.788 4.788 4.669 0.119 17610 9387 1 10 . 1 1 149 149 GLU C C 143 176.128 176.128 175.186 0.942 17610 9388 1 10 . 1 1 149 149 GLU CA C 143 55.647 55.647 55.051 0.596 17610 9389 1 10 . 1 1 149 149 GLU CB C 143 29.727 29.727 32.316 -2.589 17610 9390 1 10 . 1 1 149 149 GLU H H 143 7.827 7.827 8.402 -0.575 17610 9391 1 10 . 1 1 150 150 THR N N 144 113.629 113.629 113.123 0.506 17610 9392 1 10 . 1 1 150 150 THR HA H 144 5.081 5.081 5.429 -0.348 17610 9393 1 10 . 1 1 150 150 THR C C 144 176.136 176.136 173.199 2.937 17610 9394 1 10 . 1 1 150 150 THR CA C 144 59.464 59.464 59.503 -0.039 17610 9395 1 10 . 1 1 150 150 THR CB C 144 73.639 73.639 71.726 1.913 17610 9396 1 10 . 1 1 150 150 THR H H 144 8.800 8.800 8.451 0.349 17610 9397 1 10 . 1 1 151 151 SER N N 145 113.706 113.706 116.381 -2.675 17610 9398 1 10 . 1 1 151 151 SER HA H 145 4.883 4.883 4.844 0.039 17610 9399 1 10 . 1 1 151 151 SER C C 145 175.707 175.707 173.748 1.959 17610 9400 1 10 . 1 1 151 151 SER CA C 145 57.438 57.438 56.694 0.744 17610 9401 1 10 . 1 1 151 151 SER CB C 145 64.470 64.470 65.715 -1.245 17610 9402 1 10 . 1 1 151 151 SER H H 145 8.807 8.807 8.157 0.650 17610 9403 1 10 . 1 1 152 152 ALA N N 146 133.500 133.500 127.918 5.582 17610 9404 1 10 . 1 1 152 152 ALA HA H 146 3.890 3.890 4.196 -0.306 17610 9405 1 10 . 1 1 152 152 ALA C C 146 175.632 175.632 177.967 -2.335 17610 9406 1 10 . 1 1 152 152 ALA CA C 146 54.416 54.416 54.231 0.185 17610 9407 1 10 . 1 1 152 152 ALA CB C 146 18.605 18.605 18.901 -0.296 17610 9408 1 10 . 1 1 152 152 ALA H H 146 9.134 9.134 8.798 0.336 17610 9409 1 10 . 1 1 153 153 LYS N N 147 117.223 117.223 116.921 0.302 17610 9410 1 10 . 1 1 153 153 LYS HA H 147 2.616 2.616 4.538 -1.922 17610 9411 1 10 . 1 1 153 153 LYS C C 147 177.045 177.045 177.568 -0.523 17610 9412 1 10 . 1 1 153 153 LYS CA C 147 58.119 58.119 59.043 -0.924 17610 9413 1 10 . 1 1 153 153 LYS CB C 147 33.956 33.956 32.730 1.226 17610 9414 1 10 . 1 1 153 153 LYS H H 147 7.042 7.042 8.654 -1.612 17610 9415 1 10 . 1 1 154 154 THR N N 148 107.404 107.404 109.183 -1.779 17610 9416 1 10 . 1 1 154 154 THR HA H 148 4.157 4.157 4.415 -0.258 17610 9417 1 10 . 1 1 154 154 THR C C 148 175.979 175.979 174.512 1.467 17610 9418 1 10 . 1 1 154 154 THR CA C 148 61.489 61.489 61.180 0.309 17610 9419 1 10 . 1 1 154 154 THR CB C 148 69.911 69.911 70.044 -0.133 17610 9420 1 10 . 1 1 154 154 THR H H 148 7.721 7.721 7.877 -0.156 17610 9421 1 10 . 1 1 155 155 ARG N N 149 119.268 119.268 121.155 -1.887 17610 9422 1 10 . 1 1 155 155 ARG HA H 149 3.476 3.476 4.003 -0.527 17610 9423 1 10 . 1 1 155 155 ARG C C 149 175.481 175.481 174.157 1.324 17610 9424 1 10 . 1 1 155 155 ARG CA C 149 59.653 59.653 57.067 2.586 17610 9425 1 10 . 1 1 155 155 ARG CB C 149 30.445 30.445 28.330 2.115 17610 9426 1 10 . 1 1 155 155 ARG H H 149 7.814 7.814 8.111 -0.297 17610 9427 1 10 . 1 1 156 156 GLN N N 150 125.391 125.391 122.268 3.123 17610 9428 1 10 . 1 1 156 156 GLN HA H 150 4.065 4.065 4.494 -0.429 17610 9429 1 10 . 1 1 156 156 GLN C C 150 177.007 177.007 175.448 1.559 17610 9430 1 10 . 1 1 156 156 GLN CA C 150 57.433 57.433 55.143 2.290 17610 9431 1 10 . 1 1 156 156 GLN CB C 150 28.472 28.472 30.269 -1.797 17610 9432 1 10 . 1 1 156 156 GLN H H 150 7.833 7.833 7.841 -0.008 17610 9433 1 10 . 1 1 157 157 GLY N N 151 116.380 116.380 114.135 2.245 17610 9434 1 10 . 1 1 157 157 GLY C C 151 173.581 173.581 174.818 -1.237 17610 9435 1 10 . 1 1 157 157 GLY CA C 151 46.945 46.945 46.200 0.744 17610 9436 1 10 . 1 1 157 157 GLY H H 151 8.936 8.936 8.986 -0.050 17610 9437 1 10 . 1 1 158 158 VAL N N 152 121.822 121.822 121.086 0.736 17610 9438 1 10 . 1 1 158 158 VAL HA H 152 3.221 3.221 3.577 -0.356 17610 9439 1 10 . 1 1 158 158 VAL C C 152 177.006 177.006 177.602 -0.596 17610 9440 1 10 . 1 1 158 158 VAL CA C 152 68.314 68.314 66.151 2.163 17610 9441 1 10 . 1 1 158 158 VAL CB C 152 31.473 31.473 31.166 0.307 17610 9442 1 10 . 1 1 158 158 VAL H H 152 7.099 7.099 8.313 -1.214 17610 9443 1 10 . 1 1 159 159 GLU N N 153 118.087 118.087 118.300 -0.213 17610 9444 1 10 . 1 1 159 159 GLU HA H 153 3.305 3.305 4.025 -0.720 17610 9445 1 10 . 1 1 159 159 GLU C C 153 177.163 177.163 178.329 -1.166 17610 9446 1 10 . 1 1 159 159 GLU CA C 153 60.407 60.407 60.356 0.051 17610 9447 1 10 . 1 1 159 159 GLU CB C 153 28.787 28.787 28.676 0.111 17610 9448 1 10 . 1 1 159 159 GLU H H 153 8.271 8.271 8.692 -0.421 17610 9449 1 10 . 1 1 160 160 ASP N N 154 117.624 117.624 119.996 -2.372 17610 9450 1 10 . 1 1 160 160 ASP HA H 154 4.205 4.205 4.308 -0.103 17610 9451 1 10 . 1 1 160 160 ASP C C 154 179.366 179.366 178.077 1.289 17610 9452 1 10 . 1 1 160 160 ASP CA C 154 57.288 57.288 57.253 0.035 17610 9453 1 10 . 1 1 160 160 ASP CB C 154 40.040 40.040 40.587 -0.547 17610 9454 1 10 . 1 1 160 160 ASP H H 154 8.145 8.145 7.359 0.786 17610 9455 1 10 . 1 1 161 161 ALA N N 155 125.270 125.270 121.978 3.292 17610 9456 1 10 . 1 1 161 161 ALA HA H 155 3.749 3.749 3.948 -0.199 17610 9457 1 10 . 1 1 161 161 ALA C C 155 177.684 177.684 179.833 -2.149 17610 9458 1 10 . 1 1 161 161 ALA CA C 155 56.295 56.295 55.089 1.206 17610 9459 1 10 . 1 1 161 161 ALA CB C 155 17.397 17.397 18.214 -0.817 17610 9460 1 10 . 1 1 161 161 ALA H H 155 8.603 8.603 7.432 1.171 17610 9461 1 10 . 1 1 162 162 PHE N N 156 113.772 113.772 117.742 -3.970 17610 9462 1 10 . 1 1 162 162 PHE HA H 156 3.912 3.912 4.179 -0.267 17610 9463 1 10 . 1 1 162 162 PHE C C 156 177.975 177.975 178.137 -0.162 17610 9464 1 10 . 1 1 162 162 PHE CA C 156 62.851 62.851 62.243 0.608 17610 9465 1 10 . 1 1 162 162 PHE CB C 156 39.472 39.472 38.635 0.837 17610 9466 1 10 . 1 1 162 162 PHE H H 156 7.236 7.236 7.497 -0.261 17610 9467 1 10 . 1 1 163 163 TYR N N 157 120.499 120.499 118.355 2.144 17610 9468 1 10 . 1 1 163 163 TYR HA H 157 4.355 4.355 4.174 0.181 17610 9469 1 10 . 1 1 163 163 TYR C C 157 179.097 179.097 178.308 0.789 17610 9470 1 10 . 1 1 163 163 TYR CA C 157 58.309 58.309 60.390 -2.081 17610 9471 1 10 . 1 1 163 163 TYR CB C 157 35.012 35.012 37.512 -2.500 17610 9472 1 10 . 1 1 163 163 TYR H H 157 9.573 9.573 9.170 0.403 17610 9473 1 10 . 1 1 164 164 THR N N 158 118.206 118.206 116.417 1.789 17610 9474 1 10 . 1 1 164 164 THR HA H 158 3.903 3.903 3.983 -0.080 17610 9475 1 10 . 1 1 164 164 THR C C 158 175.656 175.656 176.521 -0.865 17610 9476 1 10 . 1 1 164 164 THR CA C 158 67.484 67.484 66.710 0.774 17610 9477 1 10 . 1 1 164 164 THR CB C 158 67.819 67.819 68.350 -0.531 17610 9478 1 10 . 1 1 164 164 THR H H 158 8.538 8.538 8.514 0.024 17610 9479 1 10 . 1 1 165 165 LEU N N 159 122.864 122.864 122.310 0.554 17610 9480 1 10 . 1 1 165 165 LEU HA H 159 3.871 3.871 4.046 -0.175 17610 9481 1 10 . 1 1 165 165 LEU C C 159 177.513 177.513 178.094 -0.581 17610 9482 1 10 . 1 1 165 165 LEU CA C 159 57.991 57.991 57.791 0.200 17610 9483 1 10 . 1 1 165 165 LEU CB C 159 40.181 40.181 40.886 -0.705 17610 9484 1 10 . 1 1 165 165 LEU H H 159 7.232 7.232 7.578 -0.346 17610 9485 1 10 . 1 1 166 166 VAL N N 160 120.322 120.322 118.615 1.707 17610 9486 1 10 . 1 1 166 166 VAL HA H 160 3.045 3.045 3.157 -0.112 17610 9487 1 10 . 1 1 166 166 VAL C C 160 177.474 177.474 178.141 -0.667 17610 9488 1 10 . 1 1 166 166 VAL CA C 160 67.389 67.389 66.914 0.475 17610 9489 1 10 . 1 1 166 166 VAL CB C 160 30.944 30.944 31.035 -0.091 17610 9490 1 10 . 1 1 166 166 VAL H H 160 7.517 7.517 7.419 0.098 17610 9491 1 10 . 1 1 167 167 ARG N N 161 120.151 120.151 119.304 0.847 17610 9492 1 10 . 1 1 167 167 ARG HA H 161 3.772 3.772 4.067 -0.295 17610 9493 1 10 . 1 1 167 167 ARG C C 161 179.030 179.030 178.832 0.198 17610 9494 1 10 . 1 1 167 167 ARG CA C 161 60.935 60.935 59.561 1.374 17610 9495 1 10 . 1 1 167 167 ARG CB C 161 29.586 29.586 30.228 -0.642 17610 9496 1 10 . 1 1 167 167 ARG H H 161 8.044 8.044 7.372 0.672 17610 9497 1 10 . 1 1 168 168 GLU N N 162 119.201 119.201 120.273 -1.072 17610 9498 1 10 . 1 1 168 168 GLU HA H 162 4.050 4.050 4.072 -0.022 17610 9499 1 10 . 1 1 168 168 GLU C C 162 179.805 179.805 179.166 0.639 17610 9500 1 10 . 1 1 168 168 GLU CA C 162 58.867 58.867 59.542 -0.675 17610 9501 1 10 . 1 1 168 168 GLU CB C 162 30.330 30.330 29.536 0.794 17610 9502 1 10 . 1 1 168 168 GLU H H 162 8.171 8.171 7.999 0.172 17610 9503 1 10 . 1 1 169 169 ILE N N 163 123.244 123.244 119.622 3.622 17610 9504 1 10 . 1 1 169 169 ILE HA H 163 3.583 3.583 3.725 -0.142 17610 9505 1 10 . 1 1 169 169 ILE C C 163 178.906 178.906 178.729 0.177 17610 9506 1 10 . 1 1 169 169 ILE CA C 163 66.023 66.023 65.523 0.500 17610 9507 1 10 . 1 1 169 169 ILE CB C 163 38.204 38.204 37.816 0.388 17610 9508 1 10 . 1 1 169 169 ILE H H 163 8.174 8.174 8.178 -0.004 17610 9509 1 10 . 1 1 170 170 ARG N N 164 119.842 119.842 118.998 0.844 17610 9510 1 10 . 1 1 170 170 ARG HA H 164 4.140 4.140 4.045 0.095 17610 9511 1 10 . 1 1 170 170 ARG C C 164 177.532 177.532 178.572 -1.040 17610 9512 1 10 . 1 1 170 170 ARG CA C 164 58.944 58.944 59.199 -0.255 17610 9513 1 10 . 1 1 170 170 ARG CB C 164 31.206 31.206 29.948 1.258 17610 9514 1 10 . 1 1 170 170 ARG H H 164 8.405 8.405 7.627 0.778 17610 9515 1 10 . 1 1 171 171 GLN N N 165 116.762 116.762 115.862 0.900 17610 9516 1 10 . 1 1 171 171 GLN HA H 165 4.343 4.343 4.137 0.206 17610 9517 1 10 . 1 1 171 171 GLN C C 165 175.218 175.218 176.582 -1.364 17610 9518 1 10 . 1 1 171 171 GLN CA C 165 56.100 56.100 57.925 -1.825 17610 9519 1 10 . 1 1 171 171 GLN CB C 165 29.236 29.236 29.368 -0.132 17610 9520 1 10 . 1 1 171 171 GLN H H 165 7.646 7.646 7.679 -0.033 17610 9521 1 11 . 1 1 8 8 THR N N 2 124.188 124.188 117.854 6.334 17610 9522 1 11 . 1 1 8 8 THR HA H 2 3.983 3.983 4.397 -0.414 17610 9523 1 11 . 1 1 8 8 THR C C 2 171.971 171.971 173.318 -1.347 17610 9524 1 11 . 1 1 8 8 THR CA C 2 63.551 63.551 61.931 1.620 17610 9525 1 11 . 1 1 8 8 THR CB C 2 69.619 69.619 70.101 -0.482 17610 9526 1 11 . 1 1 8 8 THR H H 2 8.667 8.667 8.366 0.301 17610 9527 1 11 . 1 1 9 9 GLU N N 3 127.895 127.895 124.526 3.369 17610 9528 1 11 . 1 1 9 9 GLU HA H 3 5.280 5.280 4.320 0.960 17610 9529 1 11 . 1 1 9 9 GLU C C 3 175.089 175.089 175.090 -0.001 17610 9530 1 11 . 1 1 9 9 GLU CA C 3 53.636 53.636 56.331 -2.695 17610 9531 1 11 . 1 1 9 9 GLU CB C 3 32.029 32.029 31.150 0.879 17610 9532 1 11 . 1 1 9 9 GLU H H 3 8.316 8.316 8.442 -0.126 17610 9533 1 11 . 1 1 10 10 TYR N N 4 123.375 123.375 124.341 -0.966 17610 9534 1 11 . 1 1 10 10 TYR HA H 4 5.131 5.131 4.653 0.478 17610 9535 1 11 . 1 1 10 10 TYR C C 4 174.621 174.621 174.804 -0.183 17610 9536 1 11 . 1 1 10 10 TYR CA C 4 56.649 56.649 56.581 0.068 17610 9537 1 11 . 1 1 10 10 TYR CB C 4 41.323 41.323 40.647 0.676 17610 9538 1 11 . 1 1 10 10 TYR H H 4 8.739 8.739 8.189 0.550 17610 9539 1 11 . 1 1 11 11 LYS N N 5 125.147 125.147 124.962 0.185 17610 9540 1 11 . 1 1 11 11 LYS HA H 5 5.168 5.168 4.568 0.600 17610 9541 1 11 . 1 1 11 11 LYS C C 5 175.291 175.291 174.895 0.396 17610 9542 1 11 . 1 1 11 11 LYS CA C 5 55.145 55.145 55.737 -0.592 17610 9543 1 11 . 1 1 11 11 LYS CB C 5 32.225 32.225 32.999 -0.775 17610 9544 1 11 . 1 1 11 11 LYS H H 5 9.142 9.142 8.740 0.402 17610 9545 1 11 . 1 1 12 12 LEU N N 6 127.306 127.306 127.366 -0.060 17610 9546 1 11 . 1 1 12 12 LEU HA H 6 4.970 4.970 4.553 0.417 17610 9547 1 11 . 1 1 12 12 LEU C C 6 175.298 175.298 174.947 0.351 17610 9548 1 11 . 1 1 12 12 LEU CA C 6 52.743 52.743 52.822 -0.079 17610 9549 1 11 . 1 1 12 12 LEU CB C 6 43.063 43.063 41.784 1.279 17610 9550 1 11 . 1 1 12 12 LEU H H 6 9.150 9.150 9.026 0.124 17610 9551 1 11 . 1 1 13 13 VAL N N 7 123.170 123.170 127.327 -4.157 17610 9552 1 11 . 1 1 13 13 VAL HA H 7 4.827 4.827 4.244 0.583 17610 9553 1 11 . 1 1 13 13 VAL C C 7 174.230 174.230 175.825 -1.595 17610 9554 1 11 . 1 1 13 13 VAL CB C 7 34.048 34.048 30.896 3.152 17610 9555 1 11 . 1 1 13 13 VAL H H 7 8.113 8.113 7.889 0.224 17610 9556 1 11 . 1 1 14 14 VAL N N 8 129.854 129.854 128.587 1.267 17610 9557 1 11 . 1 1 14 14 VAL HA H 8 4.669 4.669 4.398 0.271 17610 9558 1 11 . 1 1 14 14 VAL C C 8 175.377 175.377 175.634 -0.257 17610 9559 1 11 . 1 1 14 14 VAL CA C 8 61.935 61.935 62.191 -0.256 17610 9560 1 11 . 1 1 14 14 VAL CB C 8 32.496 32.496 31.870 0.626 17610 9561 1 11 . 1 1 14 14 VAL H H 8 8.707 8.707 8.263 0.444 17610 9562 1 11 . 1 1 15 15 VAL N N 9 121.835 121.835 116.465 5.370 17610 9563 1 11 . 1 1 15 15 VAL HA H 9 4.616 4.616 4.471 0.145 17610 9564 1 11 . 1 1 15 15 VAL C C 9 172.824 172.824 174.089 -1.265 17610 9565 1 11 . 1 1 15 15 VAL CA C 9 58.963 58.963 59.444 -0.481 17610 9566 1 11 . 1 1 15 15 VAL CB C 9 35.405 35.405 33.949 1.456 17610 9567 1 11 . 1 1 15 15 VAL H H 9 9.107 9.107 8.775 0.332 17610 9568 1 11 . 1 1 16 16 GLY N N 10 109.233 109.233 110.051 -0.818 17610 9569 1 11 . 1 1 16 16 GLY C C 10 172.504 172.504 172.368 0.136 17610 9570 1 11 . 1 1 16 16 GLY CA C 10 43.848 43.848 46.128 -2.280 17610 9571 1 11 . 1 1 16 16 GLY H H 10 7.394 7.394 8.518 -1.124 17610 9572 1 11 . 1 1 17 17 ALA N N 11 123.120 123.120 121.036 2.084 17610 9573 1 11 . 1 1 17 17 ALA HA H 11 4.547 4.547 4.609 -0.062 17610 9574 1 11 . 1 1 17 17 ALA C C 11 177.371 177.371 176.538 0.833 17610 9575 1 11 . 1 1 17 17 ALA CA C 11 52.236 52.236 51.935 0.301 17610 9576 1 11 . 1 1 17 17 ALA CB C 11 19.807 19.807 19.882 -0.075 17610 9577 1 11 . 1 1 17 17 ALA H H 11 9.054 9.054 7.608 1.446 17610 9578 1 11 . 1 1 18 18 GLY N N 12 107.391 107.391 106.856 0.535 17610 9579 1 11 . 1 1 18 18 GLY C C 12 176.858 176.858 174.865 1.993 17610 9580 1 11 . 1 1 18 18 GLY CA C 12 46.465 46.465 45.332 1.133 17610 9581 1 11 . 1 1 18 18 GLY H H 12 8.694 8.694 9.018 -0.324 17610 9582 1 11 . 1 1 19 19 GLY N N 13 114.596 114.596 108.916 5.680 17610 9583 1 11 . 1 1 19 19 GLY C C 13 174.661 174.661 173.976 0.685 17610 9584 1 11 . 1 1 19 19 GLY CA C 13 46.545 46.545 45.820 0.725 17610 9585 1 11 . 1 1 19 19 GLY H H 13 8.916 8.916 7.700 1.216 17610 9586 1 11 . 1 1 20 20 VAL N N 14 113.376 113.376 114.521 -1.145 17610 9587 1 11 . 1 1 20 20 VAL HA H 14 4.008 4.008 4.561 -0.553 17610 9588 1 11 . 1 1 20 20 VAL C C 14 174.469 174.469 175.926 -1.457 17610 9589 1 11 . 1 1 20 20 VAL CA C 14 62.825 62.825 60.276 2.549 17610 9590 1 11 . 1 1 20 20 VAL CB C 14 31.740 31.740 33.251 -1.511 17610 9591 1 11 . 1 1 20 20 VAL H H 14 7.427 7.427 7.410 0.017 17610 9592 1 11 . 1 1 21 21 GLY N N 15 109.392 109.392 108.292 1.100 17610 9593 1 11 . 1 1 21 21 GLY C C 15 173.254 173.254 175.728 -2.474 17610 9594 1 11 . 1 1 21 21 GLY CA C 15 45.708 45.708 45.677 0.031 17610 9595 1 11 . 1 1 21 21 GLY H H 15 8.388 8.388 8.379 0.009 17610 9596 1 11 . 1 1 22 22 LYS N N 16 124.844 124.844 120.141 4.703 17610 9597 1 11 . 1 1 22 22 LYS HA H 16 3.537 3.537 3.943 -0.406 17610 9598 1 11 . 1 1 22 22 LYS C C 16 179.106 179.106 177.876 1.230 17610 9599 1 11 . 1 1 22 22 LYS CA C 16 60.990 60.990 59.349 1.641 17610 9600 1 11 . 1 1 22 22 LYS CB C 16 29.967 29.967 32.034 -2.067 17610 9601 1 11 . 1 1 22 22 LYS H H 16 9.097 9.097 8.227 0.870 17610 9602 1 11 . 1 1 23 23 SER N N 17 121.228 121.228 113.997 7.231 17610 9603 1 11 . 1 1 23 23 SER HA H 17 4.292 4.292 4.414 -0.122 17610 9604 1 11 . 1 1 23 23 SER C C 17 175.697 175.697 176.134 -0.437 17610 9605 1 11 . 1 1 23 23 SER CA C 17 61.346 61.346 60.636 0.710 17610 9606 1 11 . 1 1 23 23 SER CB C 17 61.337 61.337 62.207 -0.870 17610 9607 1 11 . 1 1 23 23 SER H H 17 9.546 9.546 8.394 1.152 17610 9608 1 11 . 1 1 24 24 ALA N N 18 126.557 126.557 126.294 0.263 17610 9609 1 11 . 1 1 24 24 ALA HA H 18 3.946 3.946 3.873 0.073 17610 9610 1 11 . 1 1 24 24 ALA C C 18 181.834 181.834 179.582 2.252 17610 9611 1 11 . 1 1 24 24 ALA CA C 18 54.587 54.587 54.485 0.102 17610 9612 1 11 . 1 1 24 24 ALA CB C 18 18.539 18.539 18.308 0.231 17610 9613 1 11 . 1 1 24 24 ALA H H 18 9.189 9.189 7.813 1.376 17610 9614 1 11 . 1 1 25 25 LEU N N 19 121.712 121.712 115.041 6.671 17610 9615 1 11 . 1 1 25 25 LEU HA H 19 3.878 3.878 4.112 -0.234 17610 9616 1 11 . 1 1 25 25 LEU C C 19 177.485 177.485 179.084 -1.599 17610 9617 1 11 . 1 1 25 25 LEU CA C 19 58.729 58.729 58.093 0.637 17610 9618 1 11 . 1 1 25 25 LEU CB C 19 43.227 43.227 40.779 2.449 17610 9619 1 11 . 1 1 25 25 LEU H H 19 8.817 8.817 7.873 0.944 17610 9620 1 11 . 1 1 26 26 THR N N 20 118.148 118.148 116.985 1.163 17610 9621 1 11 . 1 1 26 26 THR HA H 20 3.401 3.401 4.110 -0.709 17610 9622 1 11 . 1 1 26 26 THR C C 20 175.714 175.714 176.127 -0.413 17610 9623 1 11 . 1 1 26 26 THR CA C 20 68.122 68.122 67.137 0.985 17610 9624 1 11 . 1 1 26 26 THR CB C 20 68.196 68.196 68.862 -0.666 17610 9625 1 11 . 1 1 26 26 THR H H 20 7.517 7.517 7.232 0.285 17610 9626 1 11 . 1 1 27 27 ILE N N 21 121.987 121.987 121.192 0.795 17610 9627 1 11 . 1 1 27 27 ILE HA H 21 3.302 3.302 3.380 -0.078 17610 9628 1 11 . 1 1 27 27 ILE C C 21 175.380 175.380 177.684 -2.304 17610 9629 1 11 . 1 1 27 27 ILE CA C 21 64.278 64.278 64.148 0.130 17610 9630 1 11 . 1 1 27 27 ILE CB C 21 36.758 36.758 37.418 -0.660 17610 9631 1 11 . 1 1 27 27 ILE H H 21 8.950 8.950 7.820 1.130 17610 9632 1 11 . 1 1 28 28 GLN N N 22 121.898 121.898 119.221 2.677 17610 9633 1 11 . 1 1 28 28 GLN HA H 22 4.334 4.334 3.976 0.358 17610 9634 1 11 . 1 1 28 28 GLN C C 22 179.058 179.058 178.095 0.963 17610 9635 1 11 . 1 1 28 28 GLN CA C 22 58.796 58.796 58.724 0.072 17610 9636 1 11 . 1 1 28 28 GLN CB C 22 29.752 29.752 28.451 1.301 17610 9637 1 11 . 1 1 28 28 GLN H H 22 8.094 8.094 7.958 0.136 17610 9638 1 11 . 1 1 29 29 LEU N N 23 121.426 121.426 119.880 1.546 17610 9639 1 11 . 1 1 29 29 LEU HA H 23 3.765 3.765 4.099 -0.334 17610 9640 1 11 . 1 1 29 29 LEU C C 23 178.155 178.155 178.680 -0.525 17610 9641 1 11 . 1 1 29 29 LEU CA C 23 58.304 58.304 57.625 0.679 17610 9642 1 11 . 1 1 29 29 LEU CB C 23 40.637 40.637 41.983 -1.347 17610 9643 1 11 . 1 1 29 29 LEU H H 23 7.746 7.746 7.301 0.445 17610 9644 1 11 . 1 1 30 30 ILE N N 24 115.325 115.325 116.666 -1.341 17610 9645 1 11 . 1 1 30 30 ILE HA H 24 3.697 3.697 3.660 0.037 17610 9646 1 11 . 1 1 30 30 ILE C C 24 177.421 177.421 177.235 0.186 17610 9647 1 11 . 1 1 30 30 ILE CA C 24 62.050 62.050 64.382 -2.332 17610 9648 1 11 . 1 1 30 30 ILE CB C 24 37.183 37.183 38.029 -0.846 17610 9649 1 11 . 1 1 30 30 ILE H H 24 8.115 8.115 7.414 0.701 17610 9650 1 11 . 1 1 31 31 GLN N N 25 117.213 117.213 117.832 -0.619 17610 9651 1 11 . 1 1 31 31 GLN HA H 25 4.539 4.539 4.475 0.064 17610 9652 1 11 . 1 1 31 31 GLN C C 25 176.149 176.149 174.393 1.756 17610 9653 1 11 . 1 1 31 31 GLN CA C 25 55.234 55.234 55.222 0.012 17610 9654 1 11 . 1 1 31 31 GLN CB C 25 30.184 30.184 30.749 -0.565 17610 9655 1 11 . 1 1 31 31 GLN H H 25 8.887 8.887 8.292 0.595 17610 9656 1 11 . 1 1 32 32 ASN N N 26 117.820 117.820 113.851 3.969 17610 9657 1 11 . 1 1 32 32 ASN HA H 26 4.807 4.807 4.776 0.031 17610 9658 1 11 . 1 1 32 32 ASN C C 26 174.051 174.051 174.398 -0.347 17610 9659 1 11 . 1 1 32 32 ASN CA C 26 54.310 54.310 53.568 0.743 17610 9660 1 11 . 1 1 32 32 ASN CB C 26 37.184 37.184 37.278 -0.094 17610 9661 1 11 . 1 1 32 32 ASN H H 26 7.982 7.982 8.258 -0.276 17610 9662 1 11 . 1 1 33 33 HIS N N 27 112.968 112.968 116.662 -3.694 17610 9663 1 11 . 1 1 33 33 HIS HA H 27 4.889 4.889 4.660 0.229 17610 9664 1 11 . 1 1 33 33 HIS C C 27 172.514 172.514 175.163 -2.649 17610 9665 1 11 . 1 1 33 33 HIS CA C 27 54.314 54.314 55.802 -1.488 17610 9666 1 11 . 1 1 33 33 HIS CB C 27 32.616 32.616 31.160 1.456 17610 9667 1 11 . 1 1 33 33 HIS H H 27 6.804 6.804 7.867 -1.063 17610 9668 1 11 . 1 1 34 34 PHE N N 28 123.605 123.605 120.365 3.240 17610 9669 1 11 . 1 1 34 34 PHE HA H 28 4.914 4.914 4.048 0.866 17610 9670 1 11 . 1 1 34 34 PHE C C 28 174.641 174.641 173.804 0.837 17610 9671 1 11 . 1 1 34 34 PHE CA C 28 55.754 55.754 58.187 -2.433 17610 9672 1 11 . 1 1 34 34 PHE CB C 28 40.573 40.573 37.525 3.048 17610 9673 1 11 . 1 1 34 34 PHE H H 28 8.462 8.462 7.404 1.058 17610 9674 1 11 . 1 1 35 35 VAL N N 29 126.695 126.695 123.157 3.538 17610 9675 1 11 . 1 1 35 35 VAL HA H 29 3.911 3.911 4.056 -0.145 17610 9676 1 11 . 1 1 35 35 VAL C C 29 173.764 173.764 176.047 -2.283 17610 9677 1 11 . 1 1 35 35 VAL CA C 29 61.275 61.275 62.854 -1.579 17610 9678 1 11 . 1 1 35 35 VAL CB C 29 33.154 33.154 32.590 0.564 17610 9679 1 11 . 1 1 35 35 VAL H H 29 7.537 7.537 7.642 -0.105 17610 9680 1 11 . 1 1 36 36 ASP N N 30 123.271 123.271 123.967 -0.696 17610 9681 1 11 . 1 1 36 36 ASP HA H 30 4.185 4.185 4.320 -0.135 17610 9682 1 11 . 1 1 36 36 ASP C C 30 176.129 176.129 175.071 1.058 17610 9683 1 11 . 1 1 36 36 ASP CA C 30 54.662 54.662 55.452 -0.790 17610 9684 1 11 . 1 1 36 36 ASP CB C 30 41.323 41.323 41.771 -0.448 17610 9685 1 11 . 1 1 36 36 ASP H H 30 7.618 7.618 8.835 -1.217 17610 9686 1 11 . 1 1 37 37 GLU N N 31 119.730 119.730 116.886 2.844 17610 9687 1 11 . 1 1 37 37 GLU HA H 31 4.262 4.262 4.517 -0.255 17610 9688 1 11 . 1 1 37 37 GLU C C 31 174.901 174.901 174.696 0.205 17610 9689 1 11 . 1 1 37 37 GLU CA C 31 56.137 56.137 56.210 -0.073 17610 9690 1 11 . 1 1 37 37 GLU CB C 31 30.459 30.459 28.440 2.019 17610 9691 1 11 . 1 1 37 37 GLU H H 31 7.857 7.857 8.136 -0.279 17610 9692 1 11 . 1 1 38 38 TYR N N 32 123.296 123.296 120.650 2.646 17610 9693 1 11 . 1 1 38 38 TYR HA H 32 4.486 4.486 4.842 -0.356 17610 9694 1 11 . 1 1 38 38 TYR C C 32 174.370 174.370 173.683 0.687 17610 9695 1 11 . 1 1 38 38 TYR CA C 32 57.511 57.511 57.805 -0.294 17610 9696 1 11 . 1 1 38 38 TYR CB C 32 39.199 39.199 40.874 -1.675 17610 9697 1 11 . 1 1 38 38 TYR H H 32 8.244 8.244 7.901 0.343 17610 9698 1 11 . 1 1 39 39 ASP N N 33 127.452 127.452 121.656 5.796 17610 9699 1 11 . 1 1 39 39 ASP HA H 33 4.891 4.891 4.482 0.408 17610 9700 1 11 . 1 1 39 39 ASP CA C 33 51.207 51.207 51.403 -0.196 17610 9701 1 11 . 1 1 39 39 ASP CB C 33 41.837 41.837 41.948 -0.111 17610 9702 1 11 . 1 1 39 39 ASP H H 33 8.158 8.158 8.155 0.003 17610 9703 1 11 . 1 1 40 40 PRO HA H 34 4.405 4.405 4.422 -0.017 17610 9704 1 11 . 1 1 40 40 PRO C C 34 176.938 176.938 176.506 0.432 17610 9705 1 11 . 1 1 40 40 PRO CA C 34 63.068 63.068 62.530 0.538 17610 9706 1 11 . 1 1 40 40 PRO CB C 34 32.089 32.089 30.443 1.646 17610 9707 1 11 . 1 1 41 41 SER N N 35 117.575 117.575 114.299 3.276 17610 9708 1 11 . 1 1 41 41 SER HA H 35 4.433 4.433 4.046 0.387 17610 9709 1 11 . 1 1 41 41 SER C C 35 174.777 174.777 173.843 0.934 17610 9710 1 11 . 1 1 41 41 SER CA C 35 58.346 58.346 59.029 -0.683 17610 9711 1 11 . 1 1 41 41 SER CB C 35 63.704 63.704 62.122 1.582 17610 9712 1 11 . 1 1 41 41 SER H H 35 8.495 8.495 8.360 0.135 17610 9713 1 11 . 1 1 42 42 ILE N N 36 123.018 123.018 114.963 8.055 17610 9714 1 11 . 1 1 42 42 ILE HA H 36 4.219 4.219 4.397 -0.178 17610 9715 1 11 . 1 1 42 42 ILE C C 36 175.966 175.966 175.419 0.547 17610 9716 1 11 . 1 1 42 42 ILE CA C 36 61.665 61.665 59.309 2.356 17610 9717 1 11 . 1 1 42 42 ILE CB C 36 38.745 38.745 40.306 -1.561 17610 9718 1 11 . 1 1 42 42 ILE H H 36 7.919 7.919 7.258 0.661 17610 9719 1 11 . 1 1 43 43 GLU N N 37 124.699 124.699 121.127 3.572 17610 9720 1 11 . 1 1 43 43 GLU HA H 37 4.381 4.381 4.197 0.184 17610 9721 1 11 . 1 1 43 43 GLU C C 37 179.069 179.069 175.793 3.276 17610 9722 1 11 . 1 1 43 43 GLU CA C 37 56.223 56.223 55.664 0.559 17610 9723 1 11 . 1 1 43 43 GLU CB C 37 30.616 30.616 29.270 1.346 17610 9724 1 11 . 1 1 43 43 GLU H H 37 8.201 8.201 8.494 -0.293 17610 9725 1 11 . 1 1 44 44 ASP N N 38 121.902 121.902 117.325 4.577 17610 9726 1 11 . 1 1 44 44 ASP HA H 38 4.622 4.622 4.196 0.426 17610 9727 1 11 . 1 1 44 44 ASP C C 38 174.634 174.634 174.509 0.125 17610 9728 1 11 . 1 1 44 44 ASP CA C 38 54.095 54.095 55.226 -1.131 17610 9729 1 11 . 1 1 44 44 ASP CB C 38 41.837 41.837 40.177 1.660 17610 9730 1 11 . 1 1 44 44 ASP H H 38 8.094 8.094 8.281 -0.187 17610 9731 1 11 . 1 1 45 45 SER N N 39 114.779 114.779 111.813 2.966 17610 9732 1 11 . 1 1 45 45 SER HA H 39 4.923 4.923 4.864 0.059 17610 9733 1 11 . 1 1 45 45 SER C C 39 173.339 173.339 172.942 0.397 17610 9734 1 11 . 1 1 45 45 SER CA C 39 57.023 57.023 56.935 0.088 17610 9735 1 11 . 1 1 45 45 SER CB C 39 64.751 64.751 64.689 0.062 17610 9736 1 11 . 1 1 45 45 SER H H 39 7.792 7.792 7.168 0.624 17610 9737 1 11 . 1 1 46 46 TYR N N 40 124.235 124.235 122.346 1.889 17610 9738 1 11 . 1 1 46 46 TYR HA H 40 4.662 4.662 4.682 -0.020 17610 9739 1 11 . 1 1 46 46 TYR C C 40 173.910 173.910 174.175 -0.265 17610 9740 1 11 . 1 1 46 46 TYR CA C 40 56.944 56.944 57.029 -0.085 17610 9741 1 11 . 1 1 46 46 TYR CB C 40 41.323 41.323 42.010 -0.687 17610 9742 1 11 . 1 1 46 46 TYR H H 40 8.976 8.976 9.226 -0.250 17610 9743 1 11 . 1 1 47 47 ARG N N 41 121.906 121.906 123.167 -1.261 17610 9744 1 11 . 1 1 47 47 ARG HA H 41 5.802 5.802 5.068 0.734 17610 9745 1 11 . 1 1 47 47 ARG C C 41 176.150 176.150 174.947 1.203 17610 9746 1 11 . 1 1 47 47 ARG CA C 41 54.129 54.129 54.409 -0.280 17610 9747 1 11 . 1 1 47 47 ARG CB C 41 34.105 34.105 31.977 2.128 17610 9748 1 11 . 1 1 47 47 ARG H H 41 8.238 8.238 8.459 -0.221 17610 9749 1 11 . 1 1 48 48 LYS N N 42 123.924 123.924 123.184 0.740 17610 9750 1 11 . 1 1 48 48 LYS HA H 42 4.508 4.508 4.578 -0.070 17610 9751 1 11 . 1 1 48 48 LYS C C 42 173.710 173.710 174.912 -1.202 17610 9752 1 11 . 1 1 48 48 LYS CA C 42 55.651 55.651 54.736 0.915 17610 9753 1 11 . 1 1 48 48 LYS CB C 42 38.139 38.139 36.437 1.702 17610 9754 1 11 . 1 1 48 48 LYS H H 42 8.705 8.705 8.017 0.688 17610 9755 1 11 . 1 1 49 49 GLN N N 43 130.301 130.301 125.152 5.149 17610 9756 1 11 . 1 1 49 49 GLN HA H 43 5.230 5.230 4.391 0.839 17610 9757 1 11 . 1 1 49 49 GLN C C 43 175.254 175.254 175.246 0.008 17610 9758 1 11 . 1 1 49 49 GLN CA C 43 55.496 55.496 55.860 -0.364 17610 9759 1 11 . 1 1 49 49 GLN CB C 43 29.892 29.892 29.216 0.676 17610 9760 1 11 . 1 1 49 49 GLN H H 43 8.897 8.897 8.666 0.231 17610 9761 1 11 . 1 1 50 50 VAL N N 44 122.354 122.354 121.930 0.424 17610 9762 1 11 . 1 1 50 50 VAL HA H 44 4.772 4.772 4.542 0.230 17610 9763 1 11 . 1 1 50 50 VAL C C 44 173.116 173.116 173.356 -0.240 17610 9764 1 11 . 1 1 50 50 VAL CA C 44 59.238 59.238 59.521 -0.283 17610 9765 1 11 . 1 1 50 50 VAL CB C 44 35.888 35.888 35.608 0.280 17610 9766 1 11 . 1 1 50 50 VAL H H 44 9.104 9.104 8.744 0.360 17610 9767 1 11 . 1 1 51 51 VAL N N 45 122.385 122.385 121.379 1.006 17610 9768 1 11 . 1 1 51 51 VAL HA H 45 4.462 4.462 4.414 0.048 17610 9769 1 11 . 1 1 51 51 VAL C C 45 175.450 175.450 174.966 0.484 17610 9770 1 11 . 1 1 51 51 VAL CA C 45 61.832 61.832 60.902 0.930 17610 9771 1 11 . 1 1 51 51 VAL CB C 45 32.228 32.228 32.008 0.220 17610 9772 1 11 . 1 1 51 51 VAL H H 45 8.100 8.100 8.459 -0.359 17610 9773 1 11 . 1 1 52 52 ILE N N 46 126.953 126.953 128.637 -1.684 17610 9774 1 11 . 1 1 52 52 ILE HA H 46 3.995 3.995 4.345 -0.350 17610 9775 1 11 . 1 1 52 52 ILE C C 46 176.424 176.424 175.612 0.812 17610 9776 1 11 . 1 1 52 52 ILE CA C 46 60.343 60.343 60.481 -0.138 17610 9777 1 11 . 1 1 52 52 ILE CB C 46 40.096 40.096 40.512 -0.416 17610 9778 1 11 . 1 1 52 52 ILE H H 46 8.118 8.118 7.784 0.334 17610 9779 1 11 . 1 1 53 53 ASP N N 47 132.206 132.206 126.104 6.102 17610 9780 1 11 . 1 1 53 53 ASP HA H 47 4.267 4.267 4.366 -0.099 17610 9781 1 11 . 1 1 53 53 ASP C C 47 176.121 176.121 176.235 -0.114 17610 9782 1 11 . 1 1 53 53 ASP CA C 47 55.267 55.267 55.074 0.193 17610 9783 1 11 . 1 1 53 53 ASP CB C 47 39.203 39.203 40.131 -0.928 17610 9784 1 11 . 1 1 53 53 ASP H H 47 9.605 9.605 9.117 0.488 17610 9785 1 11 . 1 1 54 54 GLY N N 48 104.275 104.275 104.682 -0.407 17610 9786 1 11 . 1 1 54 54 GLY C C 48 173.219 173.219 173.801 -0.582 17610 9787 1 11 . 1 1 54 54 GLY CA C 48 45.318 45.318 45.649 -0.331 17610 9788 1 11 . 1 1 54 54 GLY H H 48 8.332 8.332 8.529 -0.197 17610 9789 1 11 . 1 1 55 55 GLU N N 49 123.384 123.384 119.772 3.612 17610 9790 1 11 . 1 1 55 55 GLU HA H 49 4.691 4.691 4.577 0.114 17610 9791 1 11 . 1 1 55 55 GLU C C 49 175.614 175.614 175.431 0.183 17610 9792 1 11 . 1 1 55 55 GLU CA C 49 54.719 54.719 55.029 -0.310 17610 9793 1 11 . 1 1 55 55 GLU CB C 49 31.803 31.803 31.738 0.064 17610 9794 1 11 . 1 1 55 55 GLU H H 49 7.684 7.684 7.625 0.059 17610 9795 1 11 . 1 1 56 56 THR N N 50 127.153 127.153 123.000 4.153 17610 9796 1 11 . 1 1 56 56 THR HA H 50 4.727 4.727 4.405 0.322 17610 9797 1 11 . 1 1 56 56 THR C C 50 173.530 173.530 174.057 -0.527 17610 9798 1 11 . 1 1 56 56 THR CA C 50 63.521 63.521 64.453 -0.932 17610 9799 1 11 . 1 1 56 56 THR CB C 50 68.478 68.478 69.106 -0.628 17610 9800 1 11 . 1 1 56 56 THR H H 50 8.951 8.951 8.545 0.406 17610 9801 1 11 . 1 1 57 57 CYS N N 51 124.835 124.835 123.205 1.630 17610 9802 1 11 . 1 1 57 57 CYS HA H 51 5.086 5.086 4.789 0.297 17610 9803 1 11 . 1 1 57 57 CYS C C 51 170.937 170.937 173.082 -2.145 17610 9804 1 11 . 1 1 57 57 CYS CA C 51 56.423 56.423 57.779 -1.357 17610 9805 1 11 . 1 1 57 57 CYS CB C 51 31.549 31.549 31.506 0.043 17610 9806 1 11 . 1 1 57 57 CYS H H 51 9.424 9.424 9.176 0.248 17610 9807 1 11 . 1 1 58 58 LEU N N 52 123.111 123.111 122.381 0.730 17610 9808 1 11 . 1 1 58 58 LEU HA H 52 4.943 4.943 4.666 0.277 17610 9809 1 11 . 1 1 58 58 LEU C C 52 175.044 175.044 175.951 -0.907 17610 9810 1 11 . 1 1 58 58 LEU CA C 52 53.372 53.372 54.431 -1.059 17610 9811 1 11 . 1 1 58 58 LEU CB C 52 44.304 44.304 43.269 1.035 17610 9812 1 11 . 1 1 58 58 LEU H H 52 8.803 8.803 8.927 -0.124 17610 9813 1 11 . 1 1 59 59 LEU N N 53 124.540 124.540 123.782 0.758 17610 9814 1 11 . 1 1 59 59 LEU HA H 53 4.888 4.888 4.802 0.086 17610 9815 1 11 . 1 1 59 59 LEU C C 53 174.358 174.358 175.995 -1.637 17610 9816 1 11 . 1 1 59 59 LEU CA C 53 53.490 53.490 53.664 -0.174 17610 9817 1 11 . 1 1 59 59 LEU CB C 53 42.195 42.195 42.364 -0.169 17610 9818 1 11 . 1 1 59 59 LEU H H 53 9.054 9.054 9.060 -0.006 17610 9819 1 11 . 1 1 60 60 ASP N N 54 126.666 126.666 124.730 1.936 17610 9820 1 11 . 1 1 60 60 ASP HA H 54 5.225 5.225 4.610 0.615 17610 9821 1 11 . 1 1 60 60 ASP C C 54 174.846 174.846 175.270 -0.424 17610 9822 1 11 . 1 1 60 60 ASP CA C 54 53.040 53.040 54.891 -1.851 17610 9823 1 11 . 1 1 60 60 ASP CB C 54 42.622 42.622 40.257 2.365 17610 9824 1 11 . 1 1 60 60 ASP H H 54 8.739 8.739 8.402 0.337 17610 9825 1 11 . 1 1 61 61 ILE N N 55 125.100 125.100 125.166 -0.066 17610 9826 1 11 . 1 1 61 61 ILE HA H 55 4.690 4.690 4.323 0.367 17610 9827 1 11 . 1 1 61 61 ILE C C 55 174.745 174.745 175.089 -0.344 17610 9828 1 11 . 1 1 61 61 ILE CA C 55 60.331 60.331 59.679 0.652 17610 9829 1 11 . 1 1 61 61 ILE CB C 55 39.682 39.682 36.850 2.832 17610 9830 1 11 . 1 1 61 61 ILE H H 55 9.115 9.115 9.102 0.013 17610 9831 1 11 . 1 1 62 62 LEU N N 56 131.208 131.208 130.127 1.081 17610 9832 1 11 . 1 1 62 62 LEU HA H 56 4.667 4.667 4.621 0.046 17610 9833 1 11 . 1 1 62 62 LEU C C 56 174.063 174.063 174.172 -0.109 17610 9834 1 11 . 1 1 62 62 LEU CA C 56 53.795 53.795 53.228 0.567 17610 9835 1 11 . 1 1 62 62 LEU CB C 56 42.256 42.256 43.276 -1.020 17610 9836 1 11 . 1 1 62 62 LEU H H 56 9.014 9.014 8.815 0.199 17610 9837 1 11 . 1 1 63 63 ASP N N 57 128.415 128.415 127.247 1.168 17610 9838 1 11 . 1 1 63 63 ASP HA H 57 4.783 4.783 4.898 -0.115 17610 9839 1 11 . 1 1 63 63 ASP C C 57 176.341 176.341 176.169 0.172 17610 9840 1 11 . 1 1 63 63 ASP CA C 57 52.988 52.988 52.533 0.455 17610 9841 1 11 . 1 1 63 63 ASP CB C 57 41.837 41.837 43.809 -1.972 17610 9842 1 11 . 1 1 63 63 ASP H H 57 8.657 8.657 8.289 0.368 17610 9843 1 11 . 1 1 64 64 THR N N 58 114.950 114.950 116.589 -1.639 17610 9844 1 11 . 1 1 64 64 THR HA H 58 4.425 4.425 4.328 0.097 17610 9845 1 11 . 1 1 64 64 THR C C 58 172.734 172.734 174.192 -1.458 17610 9846 1 11 . 1 1 64 64 THR CA C 58 61.488 61.488 60.048 1.440 17610 9847 1 11 . 1 1 64 64 THR CB C 58 71.398 71.398 70.042 1.356 17610 9848 1 11 . 1 1 64 64 THR H H 58 7.369 7.369 7.951 -0.582 17610 9849 1 11 . 1 1 65 65 ALA N N 59 123.940 123.940 120.675 3.265 17610 9850 1 11 . 1 1 65 65 ALA HA H 59 4.764 4.764 4.560 0.204 17610 9851 1 11 . 1 1 65 65 ALA C C 59 179.480 179.480 178.544 0.936 17610 9852 1 11 . 1 1 65 65 ALA CA C 59 51.422 51.422 51.785 -0.363 17610 9853 1 11 . 1 1 65 65 ALA CB C 59 20.796 20.796 19.955 0.841 17610 9854 1 11 . 1 1 65 65 ALA H H 59 8.329 8.329 8.105 0.224 17610 9855 1 11 . 1 1 66 66 GLY N N 60 112.527 112.527 107.698 4.829 17610 9856 1 11 . 1 1 66 66 GLY C C 60 174.938 174.938 175.230 -0.292 17610 9857 1 11 . 1 1 66 66 GLY CA C 60 46.057 46.057 45.527 0.530 17610 9858 1 11 . 1 1 66 66 GLY H H 60 9.397 9.397 8.581 0.816 17610 9859 1 11 . 1 1 67 67 GLN N N 61 120.877 120.877 118.857 2.020 17610 9860 1 11 . 1 1 67 67 GLN HA H 61 4.422 4.422 4.662 -0.240 17610 9861 1 11 . 1 1 67 67 GLN C C 61 176.298 176.298 175.455 0.843 17610 9862 1 11 . 1 1 67 67 GLN CA C 61 56.355 56.355 55.129 1.226 17610 9863 1 11 . 1 1 67 67 GLN CB C 61 29.438 29.438 29.895 -0.457 17610 9864 1 11 . 1 1 67 67 GLN H H 61 8.237 8.237 7.953 0.284 17610 9865 1 11 . 1 1 68 68 GLU N N 62 123.751 123.751 118.747 5.004 17610 9866 1 11 . 1 1 68 68 GLU HA H 62 4.208 4.208 4.063 0.145 17610 9867 1 11 . 1 1 68 68 GLU C C 62 177.032 177.032 175.290 1.742 17610 9868 1 11 . 1 1 68 68 GLU CA C 62 57.801 57.801 57.216 0.585 17610 9869 1 11 . 1 1 68 68 GLU CB C 62 29.834 29.834 29.282 0.551 17610 9870 1 11 . 1 1 68 68 GLU H H 62 8.738 8.738 8.532 0.206 17610 9871 1 11 . 1 1 69 69 GLU N N 63 121.861 121.861 121.104 0.757 17610 9872 1 11 . 1 1 69 69 GLU HA H 63 4.228 4.228 4.627 -0.399 17610 9873 1 11 . 1 1 69 69 GLU C C 63 176.145 176.145 175.697 0.448 17610 9874 1 11 . 1 1 69 69 GLU CA C 63 57.026 57.026 56.124 0.902 17610 9875 1 11 . 1 1 69 69 GLU CB C 63 30.231 30.231 30.357 -0.126 17610 9876 1 11 . 1 1 69 69 GLU H H 63 8.607 8.607 8.492 0.115 17610 9877 1 11 . 1 1 70 70 TYR N N 64 121.801 121.801 124.473 -2.672 17610 9878 1 11 . 1 1 70 70 TYR HA H 64 4.587 4.587 4.718 -0.131 17610 9879 1 11 . 1 1 70 70 TYR C C 64 175.965 175.965 174.353 1.612 17610 9880 1 11 . 1 1 70 70 TYR CA C 64 58.160 58.160 58.602 -0.442 17610 9881 1 11 . 1 1 70 70 TYR CB C 64 38.288 38.288 40.123 -1.835 17610 9882 1 11 . 1 1 70 70 TYR H H 64 8.225 8.225 8.595 -0.370 17610 9883 1 11 . 1 1 71 71 SER N N 65 120.137 120.137 121.845 -1.708 17610 9884 1 11 . 1 1 71 71 SER HA H 65 4.269 4.269 4.558 -0.289 17610 9885 1 11 . 1 1 71 71 SER C C 65 174.912 174.912 175.657 -0.745 17610 9886 1 11 . 1 1 71 71 SER CA C 65 58.755 58.755 58.611 0.144 17610 9887 1 11 . 1 1 71 71 SER CB C 65 63.755 63.755 64.580 -0.825 17610 9888 1 11 . 1 1 71 71 SER H H 65 7.884 7.884 8.269 -0.385 17610 9889 1 11 . 1 1 72 72 ALA N N 66 127.848 127.848 124.724 3.124 17610 9890 1 11 . 1 1 72 72 ALA HA H 66 4.193 4.193 4.050 0.143 17610 9891 1 11 . 1 1 72 72 ALA C C 66 179.820 179.820 179.548 0.272 17610 9892 1 11 . 1 1 72 72 ALA CA C 66 54.595 54.595 55.385 -0.790 17610 9893 1 11 . 1 1 72 72 ALA CB C 66 18.264 18.264 18.517 -0.253 17610 9894 1 11 . 1 1 72 72 ALA H H 66 8.706 8.706 8.285 0.421 17610 9895 1 11 . 1 1 73 73 MET N N 67 118.448 118.448 116.444 2.004 17610 9896 1 11 . 1 1 73 73 MET HA H 67 4.271 4.271 4.154 0.117 17610 9897 1 11 . 1 1 73 73 MET C C 67 177.098 177.098 177.701 -0.603 17610 9898 1 11 . 1 1 73 73 MET CA C 67 56.915 56.915 57.862 -0.947 17610 9899 1 11 . 1 1 73 73 MET CB C 67 32.031 32.031 32.201 -0.170 17610 9900 1 11 . 1 1 73 73 MET H H 67 8.007 8.007 8.107 -0.100 17610 9901 1 11 . 1 1 74 74 ARG N N 68 121.351 121.351 120.559 0.792 17610 9902 1 11 . 1 1 74 74 ARG HA H 68 3.793 3.793 4.235 -0.442 17610 9903 1 11 . 1 1 74 74 ARG C C 68 177.730 177.730 178.779 -1.049 17610 9904 1 11 . 1 1 74 74 ARG CA C 68 59.093 59.093 59.709 -0.616 17610 9905 1 11 . 1 1 74 74 ARG CB C 68 30.118 30.118 29.699 0.419 17610 9906 1 11 . 1 1 74 74 ARG H H 68 7.761 7.761 8.299 -0.538 17610 9907 1 11 . 1 1 75 75 ASP N N 69 119.938 119.938 118.425 1.513 17610 9908 1 11 . 1 1 75 75 ASP HA H 69 4.286 4.286 4.582 -0.296 17610 9909 1 11 . 1 1 75 75 ASP C C 69 177.998 177.998 178.226 -0.228 17610 9910 1 11 . 1 1 75 75 ASP CA C 69 57.555 57.555 57.086 0.469 17610 9911 1 11 . 1 1 75 75 ASP CB C 69 40.401 40.401 40.252 0.149 17610 9912 1 11 . 1 1 75 75 ASP H H 69 8.077 8.077 7.872 0.205 17610 9913 1 11 . 1 1 76 76 GLN N N 70 119.151 119.151 120.387 -1.236 17610 9914 1 11 . 1 1 76 76 GLN HA H 70 4.050 4.050 3.985 0.065 17610 9915 1 11 . 1 1 76 76 GLN C C 70 178.837 178.837 178.377 0.460 17610 9916 1 11 . 1 1 76 76 GLN CA C 70 58.920 58.920 58.995 -0.075 17610 9917 1 11 . 1 1 76 76 GLN CB C 70 28.063 28.063 28.434 -0.371 17610 9918 1 11 . 1 1 76 76 GLN H H 70 7.789 7.789 7.447 0.342 17610 9919 1 11 . 1 1 77 77 TYR N N 71 119.847 119.847 118.558 1.289 17610 9920 1 11 . 1 1 77 77 TYR HA H 71 4.548 4.548 4.274 0.274 17610 9921 1 11 . 1 1 77 77 TYR C C 71 178.680 178.680 178.710 -0.030 17610 9922 1 11 . 1 1 77 77 TYR CA C 71 58.785 58.785 60.820 -2.035 17610 9923 1 11 . 1 1 77 77 TYR CB C 71 36.986 36.986 37.992 -1.006 17610 9924 1 11 . 1 1 77 77 TYR H H 71 8.131 8.131 7.899 0.232 17610 9925 1 11 . 1 1 78 78 MET N N 72 119.987 119.987 116.858 3.129 17610 9926 1 11 . 1 1 78 78 MET HA H 72 4.402 4.402 4.579 -0.177 17610 9927 1 11 . 1 1 78 78 MET C C 72 177.008 177.008 177.879 -0.871 17610 9928 1 11 . 1 1 78 78 MET CA C 72 59.028 59.028 59.283 -0.255 17610 9929 1 11 . 1 1 78 78 MET CB C 72 32.709 32.709 32.754 -0.045 17610 9930 1 11 . 1 1 78 78 MET H H 72 8.380 8.380 7.585 0.795 17610 9931 1 11 . 1 1 79 79 ARG N N 73 117.792 117.792 115.836 1.956 17610 9932 1 11 . 1 1 79 79 ARG HA H 73 3.914 3.914 4.228 -0.314 17610 9933 1 11 . 1 1 79 79 ARG C C 73 178.169 178.169 178.281 -0.112 17610 9934 1 11 . 1 1 79 79 ARG CA C 73 59.493 59.493 58.154 1.339 17610 9935 1 11 . 1 1 79 79 ARG CB C 73 30.100 30.100 30.482 -0.382 17610 9936 1 11 . 1 1 79 79 ARG H H 73 7.992 7.992 7.871 0.121 17610 9937 1 11 . 1 1 80 80 THR N N 74 110.012 110.012 108.818 1.194 17610 9938 1 11 . 1 1 80 80 THR HA H 74 4.242 4.242 4.452 -0.210 17610 9939 1 11 . 1 1 80 80 THR C C 74 175.640 175.640 175.593 0.047 17610 9940 1 11 . 1 1 80 80 THR CA C 74 62.863 62.863 62.540 0.323 17610 9941 1 11 . 1 1 80 80 THR CB C 74 69.808 69.808 70.216 -0.408 17610 9942 1 11 . 1 1 80 80 THR H H 74 7.718 7.718 7.746 -0.028 17610 9943 1 11 . 1 1 81 81 GLY N N 75 109.297 109.297 109.547 -0.250 17610 9944 1 11 . 1 1 81 81 GLY C C 75 172.419 172.419 173.774 -1.355 17610 9945 1 11 . 1 1 81 81 GLY CA C 75 46.504 46.504 43.895 2.608 17610 9946 1 11 . 1 1 81 81 GLY H H 75 7.852 7.852 7.571 0.281 17610 9947 1 11 . 1 1 82 82 GLU N N 76 122.399 122.399 119.430 2.969 17610 9948 1 11 . 1 1 82 82 GLU HA H 76 4.523 4.523 4.368 0.155 17610 9949 1 11 . 1 1 82 82 GLU C C 76 176.409 176.409 175.715 0.694 17610 9950 1 11 . 1 1 82 82 GLU CA C 76 56.469 56.469 56.933 -0.464 17610 9951 1 11 . 1 1 82 82 GLU CB C 76 32.049 32.049 30.985 1.064 17610 9952 1 11 . 1 1 82 82 GLU H H 76 8.879 8.879 8.041 0.838 17610 9953 1 11 . 1 1 83 83 GLY N N 77 102.282 102.282 106.016 -3.734 17610 9954 1 11 . 1 1 83 83 GLY C C 77 170.803 170.803 171.871 -1.068 17610 9955 1 11 . 1 1 83 83 GLY CA C 77 45.453 45.453 44.687 0.766 17610 9956 1 11 . 1 1 83 83 GLY H H 77 7.192 7.192 7.140 0.052 17610 9957 1 11 . 1 1 84 84 PHE N N 78 122.648 122.648 116.562 6.086 17610 9958 1 11 . 1 1 84 84 PHE HA H 78 5.448 5.448 5.182 0.266 17610 9959 1 11 . 1 1 84 84 PHE C C 78 173.734 173.734 173.861 -0.127 17610 9960 1 11 . 1 1 84 84 PHE CA C 78 57.065 57.065 57.524 -0.459 17610 9961 1 11 . 1 1 84 84 PHE CB C 78 42.997 42.997 43.925 -0.928 17610 9962 1 11 . 1 1 84 84 PHE H H 78 8.224 8.224 8.186 0.038 17610 9963 1 11 . 1 1 85 85 LEU N N 79 127.298 127.298 123.463 3.835 17610 9964 1 11 . 1 1 85 85 LEU HA H 79 4.690 4.690 5.043 -0.353 17610 9965 1 11 . 1 1 85 85 LEU C C 79 174.690 174.690 175.157 -0.467 17610 9966 1 11 . 1 1 85 85 LEU CA C 79 53.981 53.981 53.960 0.021 17610 9967 1 11 . 1 1 85 85 LEU CB C 79 43.058 43.058 45.395 -2.337 17610 9968 1 11 . 1 1 85 85 LEU H H 79 9.189 9.189 9.143 0.046 17610 9969 1 11 . 1 1 86 86 CYS N N 80 125.581 125.581 125.863 -0.282 17610 9970 1 11 . 1 1 86 86 CYS HA H 80 4.689 4.689 5.162 -0.473 17610 9971 1 11 . 1 1 86 86 CYS C C 80 172.664 172.664 173.805 -1.141 17610 9972 1 11 . 1 1 86 86 CYS CA C 80 57.767 57.767 58.971 -1.204 17610 9973 1 11 . 1 1 86 86 CYS CB C 80 27.397 27.397 28.706 -1.309 17610 9974 1 11 . 1 1 86 86 CYS H H 80 8.720 8.720 9.018 -0.298 17610 9975 1 11 . 1 1 87 87 VAL N N 81 127.252 127.252 122.648 4.604 17610 9976 1 11 . 1 1 87 87 VAL HA H 81 4.983 4.983 5.626 -0.643 17610 9977 1 11 . 1 1 87 87 VAL C C 81 175.119 175.119 174.170 0.949 17610 9978 1 11 . 1 1 87 87 VAL CA C 81 61.275 61.275 59.584 1.691 17610 9979 1 11 . 1 1 87 87 VAL CB C 81 33.407 33.407 34.795 -1.388 17610 9980 1 11 . 1 1 87 87 VAL H H 81 9.028 9.028 8.866 0.162 17610 9981 1 11 . 1 1 88 88 PHE N N 82 125.157 125.157 122.151 3.006 17610 9982 1 11 . 1 1 88 88 PHE HA H 82 4.992 4.992 5.079 -0.087 17610 9983 1 11 . 1 1 88 88 PHE C C 82 171.162 171.162 173.490 -2.328 17610 9984 1 11 . 1 1 88 88 PHE CA C 82 55.349 55.349 56.054 -0.705 17610 9985 1 11 . 1 1 88 88 PHE CB C 82 40.430 40.430 42.864 -2.434 17610 9986 1 11 . 1 1 88 88 PHE H H 82 9.306 9.306 8.406 0.900 17610 9987 1 11 . 1 1 89 89 ALA N N 83 122.321 122.321 126.312 -3.991 17610 9988 1 11 . 1 1 89 89 ALA HA H 83 5.082 5.082 4.709 0.373 17610 9989 1 11 . 1 1 89 89 ALA C C 83 179.267 179.267 178.733 0.534 17610 9990 1 11 . 1 1 89 89 ALA CA C 83 49.635 49.635 49.856 -0.221 17610 9991 1 11 . 1 1 89 89 ALA CB C 83 21.739 21.739 19.936 1.803 17610 9992 1 11 . 1 1 89 89 ALA H H 83 8.692 8.692 8.015 0.677 17610 9993 1 11 . 1 1 90 90 ILE N N 84 114.459 114.459 119.586 -5.127 17610 9994 1 11 . 1 1 90 90 ILE HA H 84 4.054 4.054 3.911 0.143 17610 9995 1 11 . 1 1 90 90 ILE C C 84 174.164 174.164 176.780 -2.616 17610 9996 1 11 . 1 1 90 90 ILE CA C 84 63.169 63.169 64.444 -1.275 17610 9997 1 11 . 1 1 90 90 ILE CB C 84 38.174 38.174 37.495 0.679 17610 9998 1 11 . 1 1 90 90 ILE H H 84 8.461 8.461 7.602 0.859 17610 9999 1 11 . 1 1 91 91 ASN N N 85 118.240 118.240 117.354 0.886 17610 10000 1 11 . 1 1 91 91 ASN HA H 85 5.049 5.049 4.679 0.370 17610 10001 1 11 . 1 1 91 91 ASN C C 85 174.583 174.583 174.979 -0.396 17610 10002 1 11 . 1 1 91 91 ASN CA C 85 52.161 52.161 54.352 -2.191 17610 10003 1 11 . 1 1 91 91 ASN CB C 85 38.132 38.132 38.529 -0.397 17610 10004 1 11 . 1 1 91 91 ASN H H 85 7.906 7.906 8.645 -0.739 17610 10005 1 11 . 1 1 92 92 ASN N N 86 120.345 120.345 118.726 1.619 17610 10006 1 11 . 1 1 92 92 ASN HA H 86 5.080 5.080 5.005 0.075 17610 10007 1 11 . 1 1 92 92 ASN C C 86 175.090 175.090 175.329 -0.239 17610 10008 1 11 . 1 1 92 92 ASN CA C 86 52.041 52.041 52.169 -0.128 17610 10009 1 11 . 1 1 92 92 ASN CB C 86 39.203 39.203 39.802 -0.599 17610 10010 1 11 . 1 1 92 92 ASN H H 86 7.931 7.931 7.527 0.404 17610 10011 1 11 . 1 1 93 93 THR N N 87 125.665 125.665 119.788 5.877 17610 10012 1 11 . 1 1 93 93 THR HA H 87 3.772 3.772 4.124 -0.352 17610 10013 1 11 . 1 1 93 93 THR C C 87 176.012 176.012 176.002 0.010 17610 10014 1 11 . 1 1 93 93 THR CA C 87 66.753 66.753 66.144 0.609 17610 10015 1 11 . 1 1 93 93 THR CB C 87 68.400 68.400 69.149 -0.749 17610 10016 1 11 . 1 1 93 93 THR H H 87 9.272 9.272 8.693 0.579 17610 10017 1 11 . 1 1 94 94 LYS N N 88 125.404 125.404 120.525 4.879 17610 10018 1 11 . 1 1 94 94 LYS HA H 88 4.186 4.186 4.019 0.167 17610 10019 1 11 . 1 1 94 94 LYS C C 88 178.027 178.027 178.787 -0.760 17610 10020 1 11 . 1 1 94 94 LYS CA C 88 59.359 59.359 59.804 -0.445 17610 10021 1 11 . 1 1 94 94 LYS CB C 88 31.292 31.292 32.266 -0.974 17610 10022 1 11 . 1 1 94 94 LYS H H 88 8.456 8.456 8.467 -0.011 17610 10023 1 11 . 1 1 95 95 SER N N 89 115.491 115.491 115.411 0.080 17610 10024 1 11 . 1 1 95 95 SER HA H 89 4.188 4.188 4.324 -0.136 17610 10025 1 11 . 1 1 95 95 SER C C 89 175.751 175.751 176.193 -0.442 17610 10026 1 11 . 1 1 95 95 SER CA C 89 61.751 61.751 61.432 0.319 17610 10027 1 11 . 1 1 95 95 SER CB C 89 63.530 63.530 63.303 0.227 17610 10028 1 11 . 1 1 95 95 SER H H 89 7.970 7.970 7.740 0.230 17610 10029 1 11 . 1 1 96 96 PHE N N 90 125.899 125.899 120.474 5.425 17610 10030 1 11 . 1 1 96 96 PHE HA H 90 4.037 4.037 4.042 -0.005 17610 10031 1 11 . 1 1 96 96 PHE C C 90 177.267 177.267 176.310 0.957 17610 10032 1 11 . 1 1 96 96 PHE CA C 90 59.688 59.688 60.536 -0.848 17610 10033 1 11 . 1 1 96 96 PHE CB C 90 40.175 40.175 39.003 1.172 17610 10034 1 11 . 1 1 96 96 PHE H H 90 7.419 7.419 8.106 -0.687 17610 10035 1 11 . 1 1 97 97 GLU N N 91 122.834 122.834 117.794 5.040 17610 10036 1 11 . 1 1 97 97 GLU HA H 91 3.787 3.787 4.046 -0.259 17610 10037 1 11 . 1 1 97 97 GLU C C 91 179.628 179.628 178.564 1.064 17610 10038 1 11 . 1 1 97 97 GLU CA C 91 59.004 59.004 59.342 -0.338 17610 10039 1 11 . 1 1 97 97 GLU CB C 91 29.261 29.261 29.695 -0.434 17610 10040 1 11 . 1 1 97 97 GLU H H 91 8.449 8.449 7.669 0.780 17610 10041 1 11 . 1 1 98 98 ASP N N 92 118.617 118.617 120.678 -2.061 17610 10042 1 11 . 1 1 98 98 ASP HA H 92 4.553 4.553 4.423 0.130 17610 10043 1 11 . 1 1 98 98 ASP C C 92 177.582 177.582 178.878 -1.296 17610 10044 1 11 . 1 1 98 98 ASP CA C 92 56.171 56.171 56.969 -0.798 17610 10045 1 11 . 1 1 98 98 ASP CB C 92 41.184 41.184 40.585 0.599 17610 10046 1 11 . 1 1 98 98 ASP H H 92 8.492 8.492 7.793 0.699 17610 10047 1 11 . 1 1 99 99 ILE N N 93 121.939 121.939 118.066 3.873 17610 10048 1 11 . 1 1 99 99 ILE HA H 93 3.954 3.954 3.981 -0.027 17610 10049 1 11 . 1 1 99 99 ILE C C 93 177.442 177.442 177.827 -0.385 17610 10050 1 11 . 1 1 99 99 ILE CA C 93 62.370 62.370 63.482 -1.112 17610 10051 1 11 . 1 1 99 99 ILE CB C 93 34.570 34.570 36.573 -2.003 17610 10052 1 11 . 1 1 99 99 ILE H H 93 7.583 7.583 8.580 -0.997 17610 10053 1 11 . 1 1 100 100 HIS N N 94 118.387 118.387 119.733 -1.346 17610 10054 1 11 . 1 1 100 100 HIS HA H 94 4.273 4.273 4.434 -0.161 17610 10055 1 11 . 1 1 100 100 HIS C C 94 177.345 177.345 176.996 0.349 17610 10056 1 11 . 1 1 100 100 HIS CA C 94 60.090 60.090 59.592 0.498 17610 10057 1 11 . 1 1 100 100 HIS CB C 94 30.512 30.512 30.340 0.172 17610 10058 1 11 . 1 1 100 100 HIS H H 94 7.799 7.799 7.455 0.344 17610 10059 1 11 . 1 1 101 101 GLN N N 95 117.673 117.673 118.889 -1.216 17610 10060 1 11 . 1 1 101 101 GLN HA H 95 3.941 3.941 4.117 -0.176 17610 10061 1 11 . 1 1 101 101 GLN C C 95 179.155 179.155 178.253 0.902 17610 10062 1 11 . 1 1 101 101 GLN CA C 95 58.371 58.371 57.846 0.525 17610 10063 1 11 . 1 1 101 101 GLN CB C 95 27.807 27.807 27.578 0.229 17610 10064 1 11 . 1 1 101 101 GLN H H 95 7.468 7.468 7.639 -0.171 17610 10065 1 11 . 1 1 102 102 TYR N N 96 120.407 120.407 120.715 -0.308 17610 10066 1 11 . 1 1 102 102 TYR HA H 96 4.064 4.064 4.083 -0.019 17610 10067 1 11 . 1 1 102 102 TYR C C 96 177.660 177.660 177.905 -0.245 17610 10068 1 11 . 1 1 102 102 TYR CA C 96 62.847 62.847 61.145 1.702 17610 10069 1 11 . 1 1 102 102 TYR CB C 96 37.795 37.795 38.113 -0.318 17610 10070 1 11 . 1 1 102 102 TYR H H 96 7.600 7.600 8.530 -0.930 17610 10071 1 11 . 1 1 103 103 ARG N N 97 119.974 119.974 118.486 1.488 17610 10072 1 11 . 1 1 103 103 ARG HA H 97 3.616 3.616 3.693 -0.077 17610 10073 1 11 . 1 1 103 103 ARG C C 97 177.618 177.618 177.929 -0.311 17610 10074 1 11 . 1 1 103 103 ARG CA C 97 59.938 59.938 59.782 0.156 17610 10075 1 11 . 1 1 103 103 ARG CB C 97 28.599 28.599 29.636 -1.037 17610 10076 1 11 . 1 1 103 103 ARG H H 97 8.395 8.395 7.471 0.924 17610 10077 1 11 . 1 1 104 104 GLU N N 98 118.351 118.351 117.704 0.647 17610 10078 1 11 . 1 1 104 104 GLU HA H 98 3.781 3.781 3.895 -0.114 17610 10079 1 11 . 1 1 104 104 GLU C C 98 178.982 178.982 178.851 0.131 17610 10080 1 11 . 1 1 104 104 GLU CA C 98 58.900 58.900 59.157 -0.257 17610 10081 1 11 . 1 1 104 104 GLU CB C 98 29.435 29.435 28.807 0.628 17610 10082 1 11 . 1 1 104 104 GLU H H 98 7.970 7.970 7.511 0.459 17610 10083 1 11 . 1 1 105 105 GLN N N 99 121.350 121.350 118.839 2.511 17610 10084 1 11 . 1 1 105 105 GLN HA H 99 3.946 3.946 4.021 -0.075 17610 10085 1 11 . 1 1 105 105 GLN C C 99 177.701 177.701 178.408 -0.707 17610 10086 1 11 . 1 1 105 105 GLN CA C 99 59.037 59.037 58.715 0.322 17610 10087 1 11 . 1 1 105 105 GLN CB C 99 27.938 27.938 28.489 -0.551 17610 10088 1 11 . 1 1 105 105 GLN H H 99 7.907 7.907 7.608 0.299 17610 10089 1 11 . 1 1 106 106 ILE N N 100 121.310 121.310 120.193 1.117 17610 10090 1 11 . 1 1 106 106 ILE HA H 100 3.177 3.177 3.310 -0.133 17610 10091 1 11 . 1 1 106 106 ILE C C 100 177.199 177.199 178.099 -0.900 17610 10092 1 11 . 1 1 106 106 ILE CA C 100 65.682 65.682 65.044 0.638 17610 10093 1 11 . 1 1 106 106 ILE CB C 100 37.874 37.874 37.296 0.578 17610 10094 1 11 . 1 1 106 106 ILE H H 100 7.920 7.920 7.270 0.650 17610 10095 1 11 . 1 1 107 107 LYS N N 101 118.584 118.584 119.096 -0.512 17610 10096 1 11 . 1 1 107 107 LYS HA H 101 3.951 3.951 4.182 -0.231 17610 10097 1 11 . 1 1 107 107 LYS C C 101 179.476 179.476 179.264 0.212 17610 10098 1 11 . 1 1 107 107 LYS CA C 101 59.571 59.571 59.319 0.252 17610 10099 1 11 . 1 1 107 107 LYS CB C 101 32.227 32.227 31.991 0.236 17610 10100 1 11 . 1 1 107 107 LYS H H 101 7.782 7.782 7.495 0.287 17610 10101 1 11 . 1 1 108 108 ARG N N 102 119.152 119.152 119.722 -0.570 17610 10102 1 11 . 1 1 108 108 ARG HA H 102 4.082 4.082 4.008 0.074 17610 10103 1 11 . 1 1 108 108 ARG C C 102 179.582 179.582 178.388 1.194 17610 10104 1 11 . 1 1 108 108 ARG CA C 102 58.946 58.946 59.197 -0.251 17610 10105 1 11 . 1 1 108 108 ARG CB C 102 30.097 30.097 30.246 -0.149 17610 10106 1 11 . 1 1 108 108 ARG H H 102 7.777 7.777 7.381 0.396 17610 10107 1 11 . 1 1 109 109 VAL N N 103 119.544 119.544 119.571 -0.027 17610 10108 1 11 . 1 1 109 109 VAL HA H 103 3.837 3.837 3.750 0.087 17610 10109 1 11 . 1 1 109 109 VAL C C 103 177.919 177.919 177.932 -0.013 17610 10110 1 11 . 1 1 109 109 VAL CA C 103 65.393 65.393 65.697 -0.304 17610 10111 1 11 . 1 1 109 109 VAL CB C 103 31.599 31.599 31.691 -0.092 17610 10112 1 11 . 1 1 109 109 VAL H H 103 8.282 8.282 7.821 0.461 17610 10113 1 11 . 1 1 110 110 LYS N N 104 117.592 117.592 118.158 -0.566 17610 10114 1 11 . 1 1 110 110 LYS HA H 104 4.269 4.269 4.234 0.035 17610 10115 1 11 . 1 1 110 110 LYS C C 104 175.878 175.878 176.693 -0.815 17610 10116 1 11 . 1 1 110 110 LYS CA C 104 54.797 54.797 57.040 -2.243 17610 10117 1 11 . 1 1 110 110 LYS CB C 104 30.687 30.687 32.505 -1.817 17610 10118 1 11 . 1 1 110 110 LYS H H 104 8.117 8.117 8.422 -0.305 17610 10119 1 11 . 1 1 111 111 ASP N N 105 122.118 122.118 117.817 4.301 17610 10120 1 11 . 1 1 111 111 ASP HA H 105 4.306 4.306 4.384 -0.078 17610 10121 1 11 . 1 1 111 111 ASP C C 105 174.496 174.496 174.992 -0.496 17610 10122 1 11 . 1 1 111 111 ASP CA C 105 54.442 54.442 55.325 -0.883 17610 10123 1 11 . 1 1 111 111 ASP CB C 105 39.792 39.792 39.165 0.627 17610 10124 1 11 . 1 1 111 111 ASP H H 105 7.958 7.958 7.826 0.132 17610 10125 1 11 . 1 1 112 112 SER N N 106 110.372 110.372 112.303 -1.931 17610 10126 1 11 . 1 1 112 112 SER HA H 106 4.565 4.565 4.747 -0.182 17610 10127 1 11 . 1 1 112 112 SER C C 106 172.985 172.985 173.728 -0.743 17610 10128 1 11 . 1 1 112 112 SER CA C 106 56.779 56.779 56.774 0.005 17610 10129 1 11 . 1 1 112 112 SER CB C 106 65.259 65.259 64.812 0.447 17610 10130 1 11 . 1 1 112 112 SER H H 106 7.539 7.539 7.613 -0.074 17610 10131 1 11 . 1 1 113 113 ASP N N 107 123.301 123.301 123.489 -0.188 17610 10132 1 11 . 1 1 113 113 ASP HA H 107 4.665 4.665 4.570 0.095 17610 10133 1 11 . 1 1 113 113 ASP C C 107 176.066 176.066 176.176 -0.110 17610 10134 1 11 . 1 1 113 113 ASP CA C 107 54.267 54.267 55.297 -1.030 17610 10135 1 11 . 1 1 113 113 ASP CB C 107 41.837 41.837 40.869 0.968 17610 10136 1 11 . 1 1 113 113 ASP H H 107 8.385 8.385 8.666 -0.281 17610 10137 1 11 . 1 1 114 114 ASP N N 108 122.347 122.347 121.669 0.678 17610 10138 1 11 . 1 1 114 114 ASP HA H 108 4.882 4.882 4.905 -0.023 17610 10139 1 11 . 1 1 114 114 ASP C C 108 174.386 174.386 175.572 -1.186 17610 10140 1 11 . 1 1 114 114 ASP CA C 108 53.143 53.143 53.237 -0.094 17610 10141 1 11 . 1 1 114 114 ASP CB C 108 41.323 41.323 40.891 0.432 17610 10142 1 11 . 1 1 114 114 ASP H H 108 8.404 8.404 7.802 0.602 17610 10143 1 11 . 1 1 115 115 VAL N N 109 123.609 123.609 120.437 3.172 17610 10144 1 11 . 1 1 115 115 VAL HA H 109 4.337 4.337 4.676 -0.339 17610 10145 1 11 . 1 1 115 115 VAL CA C 109 58.984 58.984 57.825 1.159 17610 10146 1 11 . 1 1 115 115 VAL CB C 109 34.932 34.932 33.467 1.465 17610 10147 1 11 . 1 1 115 115 VAL H H 109 7.649 7.649 7.600 0.049 17610 10148 1 11 . 1 1 116 116 PRO HA H 110 4.430 4.430 4.543 -0.113 17610 10149 1 11 . 1 1 116 116 PRO C C 110 175.942 175.942 175.549 0.393 17610 10150 1 11 . 1 1 116 116 PRO CA C 110 63.872 63.872 63.305 0.567 17610 10151 1 11 . 1 1 116 116 PRO CB C 110 32.120 32.120 30.247 1.873 17610 10152 1 11 . 1 1 117 117 MET N N 111 124.020 124.020 119.482 4.538 17610 10153 1 11 . 1 1 117 117 MET HA H 111 5.777 5.777 5.449 0.328 17610 10154 1 11 . 1 1 117 117 MET C C 111 173.737 173.737 173.967 -0.230 17610 10155 1 11 . 1 1 117 117 MET CA C 111 55.094 55.094 54.486 0.608 17610 10156 1 11 . 1 1 117 117 MET CB C 111 37.889 37.889 37.042 0.847 17610 10157 1 11 . 1 1 117 117 MET H H 111 8.274 8.274 7.775 0.499 17610 10158 1 11 . 1 1 118 118 VAL N N 112 118.747 118.747 116.668 2.079 17610 10159 1 11 . 1 1 118 118 VAL HA H 112 4.341 4.341 4.495 -0.154 17610 10160 1 11 . 1 1 118 118 VAL C C 112 173.171 173.171 173.605 -0.434 17610 10161 1 11 . 1 1 118 118 VAL CA C 112 60.943 60.943 60.646 0.297 17610 10162 1 11 . 1 1 118 118 VAL CB C 112 37.030 37.030 36.757 0.273 17610 10163 1 11 . 1 1 118 118 VAL H H 112 8.119 8.119 8.221 -0.102 17610 10164 1 11 . 1 1 119 119 LEU N N 113 129.931 129.931 128.435 1.496 17610 10165 1 11 . 1 1 119 119 LEU HA H 113 5.157 5.157 5.404 -0.247 17610 10166 1 11 . 1 1 119 119 LEU C C 113 173.496 173.496 175.267 -1.771 17610 10167 1 11 . 1 1 119 119 LEU CA C 113 53.828 53.828 53.158 0.670 17610 10168 1 11 . 1 1 119 119 LEU CB C 113 43.876 43.876 43.113 0.763 17610 10169 1 11 . 1 1 119 119 LEU H H 113 8.918 8.918 8.110 0.808 17610 10170 1 11 . 1 1 120 120 VAL N N 114 129.371 129.371 127.301 2.070 17610 10171 1 11 . 1 1 120 120 VAL HA H 114 5.117 5.117 5.007 0.110 17610 10172 1 11 . 1 1 120 120 VAL C C 114 173.667 173.667 175.565 -1.898 17610 10173 1 11 . 1 1 120 120 VAL CA C 114 60.124 60.124 60.303 -0.179 17610 10174 1 11 . 1 1 120 120 VAL CB C 114 35.225 35.225 33.553 1.673 17610 10175 1 11 . 1 1 120 120 VAL H H 114 9.173 9.173 9.063 0.110 17610 10176 1 11 . 1 1 121 121 GLY N N 115 115.789 115.789 112.760 3.029 17610 10177 1 11 . 1 1 121 121 GLY C C 115 171.603 171.603 173.067 -1.464 17610 10178 1 11 . 1 1 121 121 GLY CA C 115 45.256 45.256 43.658 1.598 17610 10179 1 11 . 1 1 121 121 GLY H H 115 8.046 8.046 9.038 -0.992 17610 10180 1 11 . 1 1 122 122 ASN N N 116 122.349 122.349 123.754 -1.405 17610 10181 1 11 . 1 1 122 122 ASN HA H 116 5.620 5.620 4.781 0.839 17610 10182 1 11 . 1 1 122 122 ASN C C 116 174.732 174.732 175.622 -0.890 17610 10183 1 11 . 1 1 122 122 ASN CA C 116 51.492 51.492 52.682 -1.190 17610 10184 1 11 . 1 1 122 122 ASN CB C 116 41.323 41.323 40.051 1.272 17610 10185 1 11 . 1 1 122 122 ASN H H 116 8.756 8.756 7.995 0.761 17610 10186 1 11 . 1 1 123 123 LYS N N 117 113.297 113.297 118.898 -5.601 17610 10187 1 11 . 1 1 123 123 LYS HA H 117 4.280 4.280 4.004 0.276 17610 10188 1 11 . 1 1 123 123 LYS C C 117 177.324 177.324 176.198 1.126 17610 10189 1 11 . 1 1 123 123 LYS CA C 117 57.273 57.273 57.567 -0.294 17610 10190 1 11 . 1 1 123 123 LYS CB C 117 29.775 29.775 30.668 -0.893 17610 10191 1 11 . 1 1 123 123 LYS H H 117 7.342 7.342 8.774 -1.431 17610 10192 1 11 . 1 1 124 124 CYS N N 118 115.340 115.340 117.910 -2.570 17610 10193 1 11 . 1 1 124 124 CYS HA H 118 4.292 4.292 4.384 -0.092 17610 10194 1 11 . 1 1 124 124 CYS C C 118 173.325 173.325 174.727 -1.402 17610 10195 1 11 . 1 1 124 124 CYS CA C 118 60.698 60.698 59.039 1.659 17610 10196 1 11 . 1 1 124 124 CYS CB C 118 26.387 26.387 27.692 -1.305 17610 10197 1 11 . 1 1 124 124 CYS H H 118 8.763 8.763 7.921 0.842 17610 10198 1 11 . 1 1 125 125 ASP N N 119 118.603 118.603 119.709 -1.106 17610 10199 1 11 . 1 1 125 125 ASP HA H 119 4.476 4.476 4.655 -0.179 17610 10200 1 11 . 1 1 125 125 ASP C C 119 175.464 175.464 175.554 -0.090 17610 10201 1 11 . 1 1 125 125 ASP CA C 119 53.951 53.951 54.355 -0.404 17610 10202 1 11 . 1 1 125 125 ASP CB C 119 41.323 41.323 40.793 0.530 17610 10203 1 11 . 1 1 125 125 ASP H H 119 8.613 8.613 8.211 0.402 17610 10204 1 11 . 1 1 126 126 LEU N N 120 122.098 122.098 120.165 1.933 17610 10205 1 11 . 1 1 126 126 LEU HA H 120 4.241 4.241 4.469 -0.228 17610 10206 1 11 . 1 1 126 126 LEU C C 120 176.420 176.420 177.014 -0.594 17610 10207 1 11 . 1 1 126 126 LEU CA C 120 54.723 54.723 54.322 0.401 17610 10208 1 11 . 1 1 126 126 LEU CB C 120 41.837 41.837 43.334 -1.497 17610 10209 1 11 . 1 1 126 126 LEU H H 120 7.802 7.802 7.339 0.463 17610 10210 1 11 . 1 1 127 127 ALA N N 121 123.959 123.959 122.176 1.783 17610 10211 1 11 . 1 1 127 127 ALA HA H 121 4.214 4.214 4.529 -0.315 17610 10212 1 11 . 1 1 127 127 ALA C C 121 178.717 178.717 176.704 2.013 17610 10213 1 11 . 1 1 127 127 ALA CA C 121 53.179 53.179 51.916 1.264 17610 10214 1 11 . 1 1 127 127 ALA CB C 121 18.871 18.871 19.206 -0.335 17610 10215 1 11 . 1 1 127 127 ALA H H 121 8.160 8.160 8.391 -0.231 17610 10216 1 11 . 1 1 128 128 ALA N N 122 123.078 123.078 122.674 0.404 17610 10217 1 11 . 1 1 128 128 ALA HA H 122 4.524 4.524 4.530 -0.006 17610 10218 1 11 . 1 1 128 128 ALA C C 122 175.272 175.272 176.196 -0.924 17610 10219 1 11 . 1 1 128 128 ALA CA C 122 51.259 51.259 51.818 -0.559 17610 10220 1 11 . 1 1 128 128 ALA CB C 122 17.623 17.623 19.509 -1.885 17610 10221 1 11 . 1 1 128 128 ALA H H 122 7.698 7.698 7.775 -0.077 17610 10222 1 11 . 1 1 129 129 ARG N N 123 121.454 121.454 123.709 -2.255 17610 10223 1 11 . 1 1 129 129 ARG HA H 123 4.093 4.093 4.394 -0.301 17610 10224 1 11 . 1 1 129 129 ARG C C 123 176.271 176.271 176.195 0.076 17610 10225 1 11 . 1 1 129 129 ARG CA C 123 55.596 55.596 55.980 -0.384 17610 10226 1 11 . 1 1 129 129 ARG CB C 123 32.696 32.696 29.566 3.130 17610 10227 1 11 . 1 1 129 129 ARG H H 123 7.992 7.992 8.179 -0.187 17610 10228 1 11 . 1 1 130 130 THR N N 124 115.617 115.617 118.439 -2.822 17610 10229 1 11 . 1 1 130 130 THR HA H 124 4.564 4.564 4.325 0.239 17610 10230 1 11 . 1 1 130 130 THR C C 124 174.119 174.119 175.434 -1.315 17610 10231 1 11 . 1 1 130 130 THR CA C 124 61.746 61.746 63.853 -2.107 17610 10232 1 11 . 1 1 130 130 THR CB C 124 69.094 69.094 69.454 -0.360 17610 10233 1 11 . 1 1 130 130 THR H H 124 9.145 9.145 8.812 0.333 17610 10234 1 11 . 1 1 131 131 VAL N N 125 125.688 125.688 124.728 0.960 17610 10235 1 11 . 1 1 131 131 VAL HA H 125 4.015 4.015 3.867 0.148 17610 10236 1 11 . 1 1 131 131 VAL C C 125 175.658 175.658 175.212 0.446 17610 10237 1 11 . 1 1 131 131 VAL CA C 125 61.373 61.373 62.119 -0.746 17610 10238 1 11 . 1 1 131 131 VAL CB C 125 33.147 33.147 31.429 1.718 17610 10239 1 11 . 1 1 131 131 VAL H H 125 7.618 7.618 7.844 -0.226 17610 10240 1 11 . 1 1 132 132 GLU N N 126 128.319 128.319 127.410 0.909 17610 10241 1 11 . 1 1 132 132 GLU HA H 126 4.228 4.228 4.146 0.082 17610 10242 1 11 . 1 1 132 132 GLU C C 126 177.986 177.986 177.176 0.810 17610 10243 1 11 . 1 1 132 132 GLU CA C 126 56.323 56.323 56.333 -0.010 17610 10244 1 11 . 1 1 132 132 GLU CB C 126 30.158 30.158 30.229 -0.071 17610 10245 1 11 . 1 1 132 132 GLU H H 126 8.727 8.727 8.019 0.708 17610 10246 1 11 . 1 1 133 133 SER N N 127 122.970 122.970 116.931 6.039 17610 10247 1 11 . 1 1 133 133 SER HA H 127 4.074 4.074 4.273 -0.199 17610 10248 1 11 . 1 1 133 133 SER C C 127 176.633 176.633 176.025 0.608 17610 10249 1 11 . 1 1 133 133 SER CA C 127 62.598 62.598 62.532 0.066 17610 10250 1 11 . 1 1 133 133 SER CB C 127 62.511 62.511 63.233 -0.722 17610 10251 1 11 . 1 1 133 133 SER H H 127 9.421 9.421 8.816 0.605 17610 10252 1 11 . 1 1 134 134 ARG N N 128 119.141 119.141 120.295 -1.154 17610 10253 1 11 . 1 1 134 134 ARG HA H 128 4.028 4.028 4.030 -0.002 17610 10254 1 11 . 1 1 134 134 ARG C C 128 177.739 177.739 178.318 -0.579 17610 10255 1 11 . 1 1 134 134 ARG CA C 128 58.785 58.785 58.660 0.125 17610 10256 1 11 . 1 1 134 134 ARG CB C 128 29.752 29.752 29.529 0.223 17610 10257 1 11 . 1 1 134 134 ARG H H 128 8.675 8.675 8.565 0.110 17610 10258 1 11 . 1 1 135 135 GLN N N 129 118.050 118.050 118.306 -0.256 17610 10259 1 11 . 1 1 135 135 GLN HA H 129 4.091 4.091 4.006 0.085 17610 10260 1 11 . 1 1 135 135 GLN C C 129 179.009 179.009 177.754 1.255 17610 10261 1 11 . 1 1 135 135 GLN CA C 129 58.389 58.389 58.480 -0.091 17610 10262 1 11 . 1 1 135 135 GLN CB C 129 28.916 28.916 28.289 0.627 17610 10263 1 11 . 1 1 135 135 GLN H H 129 6.796 6.796 7.518 -0.722 17610 10264 1 11 . 1 1 136 136 ALA N N 130 124.769 124.769 121.949 2.820 17610 10265 1 11 . 1 1 136 136 ALA HA H 130 3.933 3.933 3.898 0.035 17610 10266 1 11 . 1 1 136 136 ALA C C 130 178.155 178.155 179.599 -1.444 17610 10267 1 11 . 1 1 136 136 ALA CA C 130 54.760 54.760 54.666 0.094 17610 10268 1 11 . 1 1 136 136 ALA CB C 130 18.546 18.546 17.842 0.704 17610 10269 1 11 . 1 1 136 136 ALA H H 130 7.017 7.017 7.380 -0.363 17610 10270 1 11 . 1 1 137 137 GLN N N 131 119.215 119.215 117.495 1.720 17610 10271 1 11 . 1 1 137 137 GLN HA H 131 3.720 3.720 3.912 -0.192 17610 10272 1 11 . 1 1 137 137 GLN C C 131 179.387 179.387 178.141 1.246 17610 10273 1 11 . 1 1 137 137 GLN CA C 131 58.815 58.815 59.343 -0.528 17610 10274 1 11 . 1 1 137 137 GLN CB C 131 28.503 28.503 28.547 -0.043 17610 10275 1 11 . 1 1 137 137 GLN H H 131 8.602 8.602 8.547 0.055 17610 10276 1 11 . 1 1 138 138 ASP N N 132 121.298 121.298 121.087 0.211 17610 10277 1 11 . 1 1 138 138 ASP HA H 132 4.371 4.371 4.328 0.043 17610 10278 1 11 . 1 1 138 138 ASP C C 132 178.855 178.855 178.622 0.233 17610 10279 1 11 . 1 1 138 138 ASP CA C 132 57.425 57.425 57.683 -0.258 17610 10280 1 11 . 1 1 138 138 ASP CB C 132 40.860 40.860 40.566 0.294 17610 10281 1 11 . 1 1 138 138 ASP H H 132 8.203 8.203 7.771 0.432 17610 10282 1 11 . 1 1 139 139 LEU N N 133 124.786 124.786 119.478 5.308 17610 10283 1 11 . 1 1 139 139 LEU HA H 133 3.888 3.888 3.647 0.241 17610 10284 1 11 . 1 1 139 139 LEU C C 133 178.953 178.953 178.384 0.569 17610 10285 1 11 . 1 1 139 139 LEU CA C 133 57.827 57.827 57.270 0.557 17610 10286 1 11 . 1 1 139 139 LEU CB C 133 41.837 41.837 41.725 0.112 17610 10287 1 11 . 1 1 139 139 LEU H H 133 7.485 7.485 7.378 0.107 17610 10288 1 11 . 1 1 140 140 ALA N N 134 123.038 123.038 121.510 1.528 17610 10289 1 11 . 1 1 140 140 ALA HA H 134 3.783 3.783 4.060 -0.277 17610 10290 1 11 . 1 1 140 140 ALA C C 134 179.902 179.902 179.270 0.632 17610 10291 1 11 . 1 1 140 140 ALA CA C 134 55.832 55.832 55.282 0.550 17610 10292 1 11 . 1 1 140 140 ALA CB C 134 18.120 18.120 18.396 -0.276 17610 10293 1 11 . 1 1 140 140 ALA H H 134 8.426 8.426 7.654 0.772 17610 10294 1 11 . 1 1 141 141 ARG N N 135 119.537 119.537 117.711 1.826 17610 10295 1 11 . 1 1 141 141 ARG HA H 135 4.194 4.194 4.086 0.108 17610 10296 1 11 . 1 1 141 141 ARG C C 135 180.037 180.037 178.557 1.480 17610 10297 1 11 . 1 1 141 141 ARG CA C 135 59.331 59.331 58.950 0.381 17610 10298 1 11 . 1 1 141 141 ARG CB C 135 29.864 29.864 30.278 -0.414 17610 10299 1 11 . 1 1 141 141 ARG H H 135 8.459 8.459 8.584 -0.125 17610 10300 1 11 . 1 1 142 142 SER N N 136 118.958 118.958 114.321 4.637 17610 10301 1 11 . 1 1 142 142 SER HA H 136 4.277 4.277 4.208 0.069 17610 10302 1 11 . 1 1 142 142 SER C C 136 176.127 176.127 176.183 -0.056 17610 10303 1 11 . 1 1 142 142 SER CA C 136 61.509 61.509 60.874 0.635 17610 10304 1 11 . 1 1 142 142 SER CB C 136 62.529 62.529 63.450 -0.921 17610 10305 1 11 . 1 1 142 142 SER H H 136 7.944 7.944 7.794 0.150 17610 10306 1 11 . 1 1 143 143 TYR N N 137 121.309 121.309 118.922 2.387 17610 10307 1 11 . 1 1 143 143 TYR HA H 137 4.907 4.907 4.468 0.439 17610 10308 1 11 . 1 1 143 143 TYR C C 137 176.279 176.279 176.789 -0.510 17610 10309 1 11 . 1 1 143 143 TYR CA C 137 54.737 54.737 57.616 -2.879 17610 10310 1 11 . 1 1 143 143 TYR CB C 137 38.830 38.830 39.167 -0.337 17610 10311 1 11 . 1 1 143 143 TYR H H 137 7.623 7.623 8.003 -0.380 17610 10312 1 11 . 1 1 144 144 GLY N N 138 112.193 112.193 107.776 4.417 17610 10313 1 11 . 1 1 144 144 GLY C C 138 175.077 175.077 174.498 0.579 17610 10314 1 11 . 1 1 144 144 GLY CA C 138 46.439 46.439 45.672 0.767 17610 10315 1 11 . 1 1 144 144 GLY H H 138 8.328 8.328 7.732 0.596 17610 10316 1 11 . 1 1 145 145 ILE N N 139 114.227 114.227 116.900 -2.673 17610 10317 1 11 . 1 1 145 145 ILE HA H 139 5.241 5.241 4.712 0.529 17610 10318 1 11 . 1 1 145 145 ILE CA C 139 58.420 58.420 57.762 0.658 17610 10319 1 11 . 1 1 145 145 ILE CB C 139 38.543 38.543 38.819 -0.276 17610 10320 1 11 . 1 1 145 145 ILE H H 139 8.059 8.059 7.688 0.371 17610 10321 1 11 . 1 1 146 146 PRO HA H 140 4.627 4.627 4.486 0.141 17610 10322 1 11 . 1 1 146 146 PRO C C 140 174.570 174.570 175.334 -0.764 17610 10323 1 11 . 1 1 146 146 PRO CA C 140 62.362 62.362 62.382 -0.020 17610 10324 1 11 . 1 1 146 146 PRO CB C 140 33.057 33.057 32.673 0.383 17610 10325 1 11 . 1 1 147 147 TYR N N 141 121.135 121.135 120.815 0.320 17610 10326 1 11 . 1 1 147 147 TYR HA H 141 5.997 5.997 5.476 0.521 17610 10327 1 11 . 1 1 147 147 TYR C C 141 174.492 174.492 174.533 -0.041 17610 10328 1 11 . 1 1 147 147 TYR CA C 141 54.912 54.912 56.022 -1.110 17610 10329 1 11 . 1 1 147 147 TYR CB C 141 40.972 40.972 39.813 1.159 17610 10330 1 11 . 1 1 147 147 TYR H H 141 8.252 8.252 8.380 -0.128 17610 10331 1 11 . 1 1 148 148 ILE N N 142 131.362 131.362 128.096 3.266 17610 10332 1 11 . 1 1 148 148 ILE HA H 142 3.948 3.948 4.198 -0.250 17610 10333 1 11 . 1 1 148 148 ILE C C 142 172.977 172.977 174.501 -1.524 17610 10334 1 11 . 1 1 148 148 ILE CA C 142 59.383 59.383 59.634 -0.251 17610 10335 1 11 . 1 1 148 148 ILE CB C 142 42.260 42.260 40.839 1.421 17610 10336 1 11 . 1 1 148 148 ILE H H 142 8.495 8.495 8.073 0.422 17610 10337 1 11 . 1 1 149 149 GLU N N 143 125.874 125.874 124.845 1.029 17610 10338 1 11 . 1 1 149 149 GLU HA H 143 4.788 4.788 4.578 0.210 17610 10339 1 11 . 1 1 149 149 GLU C C 143 176.128 176.128 175.542 0.586 17610 10340 1 11 . 1 1 149 149 GLU CA C 143 55.647 55.647 55.420 0.227 17610 10341 1 11 . 1 1 149 149 GLU CB C 143 29.727 29.727 31.403 -1.676 17610 10342 1 11 . 1 1 149 149 GLU H H 143 7.827 7.827 8.569 -0.742 17610 10343 1 11 . 1 1 150 150 THR N N 144 113.629 113.629 114.361 -0.732 17610 10344 1 11 . 1 1 150 150 THR HA H 144 5.081 5.081 5.330 -0.249 17610 10345 1 11 . 1 1 150 150 THR C C 144 176.136 176.136 172.912 3.224 17610 10346 1 11 . 1 1 150 150 THR CA C 144 59.464 59.464 59.940 -0.476 17610 10347 1 11 . 1 1 150 150 THR CB C 144 73.639 73.639 71.710 1.929 17610 10348 1 11 . 1 1 150 150 THR H H 144 8.800 8.800 8.870 -0.070 17610 10349 1 11 . 1 1 151 151 SER N N 145 113.706 113.706 115.640 -1.934 17610 10350 1 11 . 1 1 151 151 SER HA H 145 4.883 4.883 5.116 -0.233 17610 10351 1 11 . 1 1 151 151 SER C C 145 175.707 175.707 173.559 2.148 17610 10352 1 11 . 1 1 151 151 SER CA C 145 57.438 57.438 56.882 0.556 17610 10353 1 11 . 1 1 151 151 SER CB C 145 64.470 64.470 66.173 -1.703 17610 10354 1 11 . 1 1 151 151 SER H H 145 8.807 8.807 8.218 0.589 17610 10355 1 11 . 1 1 152 152 ALA N N 146 133.500 133.500 128.623 4.877 17610 10356 1 11 . 1 1 152 152 ALA HA H 146 3.890 3.890 4.208 -0.318 17610 10357 1 11 . 1 1 152 152 ALA C C 146 175.632 175.632 177.419 -1.787 17610 10358 1 11 . 1 1 152 152 ALA CA C 146 54.416 54.416 54.496 -0.080 17610 10359 1 11 . 1 1 152 152 ALA CB C 146 18.605 18.605 18.972 -0.367 17610 10360 1 11 . 1 1 152 152 ALA H H 146 9.134 9.134 8.645 0.489 17610 10361 1 11 . 1 1 153 153 LYS N N 147 117.223 117.223 117.493 -0.270 17610 10362 1 11 . 1 1 153 153 LYS HA H 147 2.616 2.616 3.616 -1.000 17610 10363 1 11 . 1 1 153 153 LYS C C 147 177.045 177.045 178.364 -1.319 17610 10364 1 11 . 1 1 153 153 LYS CA C 147 58.119 58.119 58.073 0.046 17610 10365 1 11 . 1 1 153 153 LYS CB C 147 33.956 33.956 32.391 1.565 17610 10366 1 11 . 1 1 153 153 LYS H H 147 7.042 7.042 7.650 -0.608 17610 10367 1 11 . 1 1 154 154 THR N N 148 107.404 107.404 110.162 -2.758 17610 10368 1 11 . 1 1 154 154 THR HA H 148 4.157 4.157 4.198 -0.041 17610 10369 1 11 . 1 1 154 154 THR C C 148 175.979 175.979 174.746 1.233 17610 10370 1 11 . 1 1 154 154 THR CA C 148 61.489 61.489 62.414 -0.925 17610 10371 1 11 . 1 1 154 154 THR CB C 148 69.911 69.911 69.539 0.372 17610 10372 1 11 . 1 1 154 154 THR H H 148 7.721 7.721 7.757 -0.036 17610 10373 1 11 . 1 1 155 155 ARG N N 149 119.268 119.268 120.257 -0.989 17610 10374 1 11 . 1 1 155 155 ARG HA H 149 3.476 3.476 3.981 -0.505 17610 10375 1 11 . 1 1 155 155 ARG C C 149 175.481 175.481 174.001 1.480 17610 10376 1 11 . 1 1 155 155 ARG CA C 149 59.653 59.653 56.876 2.777 17610 10377 1 11 . 1 1 155 155 ARG CB C 149 30.445 30.445 28.382 2.063 17610 10378 1 11 . 1 1 155 155 ARG H H 149 7.814 7.814 7.799 0.015 17610 10379 1 11 . 1 1 156 156 GLN N N 150 125.391 125.391 121.675 3.716 17610 10380 1 11 . 1 1 156 156 GLN HA H 150 4.065 4.065 4.458 -0.393 17610 10381 1 11 . 1 1 156 156 GLN C C 150 177.007 177.007 175.745 1.262 17610 10382 1 11 . 1 1 156 156 GLN CA C 150 57.433 57.433 55.244 2.189 17610 10383 1 11 . 1 1 156 156 GLN CB C 150 28.472 28.472 30.277 -1.805 17610 10384 1 11 . 1 1 156 156 GLN H H 150 7.833 7.833 7.585 0.248 17610 10385 1 11 . 1 1 157 157 GLY N N 151 116.380 116.380 114.207 2.173 17610 10386 1 11 . 1 1 157 157 GLY C C 151 173.581 173.581 174.833 -1.252 17610 10387 1 11 . 1 1 157 157 GLY CA C 151 46.945 46.945 46.304 0.640 17610 10388 1 11 . 1 1 157 157 GLY H H 151 8.936 8.936 9.016 -0.080 17610 10389 1 11 . 1 1 158 158 VAL N N 152 121.822 121.822 119.171 2.651 17610 10390 1 11 . 1 1 158 158 VAL HA H 152 3.221 3.221 3.582 -0.361 17610 10391 1 11 . 1 1 158 158 VAL C C 152 177.006 177.006 177.655 -0.649 17610 10392 1 11 . 1 1 158 158 VAL CA C 152 68.314 68.314 66.501 1.813 17610 10393 1 11 . 1 1 158 158 VAL CB C 152 31.473 31.473 31.432 0.041 17610 10394 1 11 . 1 1 158 158 VAL H H 152 7.099 7.099 8.190 -1.091 17610 10395 1 11 . 1 1 159 159 GLU N N 153 118.087 118.087 118.081 0.006 17610 10396 1 11 . 1 1 159 159 GLU HA H 153 3.305 3.305 4.001 -0.696 17610 10397 1 11 . 1 1 159 159 GLU C C 153 177.163 177.163 178.393 -1.230 17610 10398 1 11 . 1 1 159 159 GLU CA C 153 60.407 60.407 60.492 -0.085 17610 10399 1 11 . 1 1 159 159 GLU CB C 153 28.787 28.787 28.271 0.516 17610 10400 1 11 . 1 1 159 159 GLU H H 153 8.271 8.271 8.640 -0.369 17610 10401 1 11 . 1 1 160 160 ASP N N 154 117.624 117.624 119.333 -1.709 17610 10402 1 11 . 1 1 160 160 ASP HA H 154 4.205 4.205 4.343 -0.138 17610 10403 1 11 . 1 1 160 160 ASP C C 154 179.366 179.366 178.187 1.179 17610 10404 1 11 . 1 1 160 160 ASP CA C 154 57.288 57.288 57.064 0.224 17610 10405 1 11 . 1 1 160 160 ASP CB C 154 40.040 40.040 40.530 -0.490 17610 10406 1 11 . 1 1 160 160 ASP H H 154 8.145 8.145 8.083 0.062 17610 10407 1 11 . 1 1 161 161 ALA N N 155 125.270 125.270 122.421 2.849 17610 10408 1 11 . 1 1 161 161 ALA HA H 155 3.749 3.749 4.016 -0.267 17610 10409 1 11 . 1 1 161 161 ALA C C 155 177.684 177.684 179.952 -2.268 17610 10410 1 11 . 1 1 161 161 ALA CA C 155 56.295 56.295 54.886 1.409 17610 10411 1 11 . 1 1 161 161 ALA CB C 155 17.397 17.397 18.395 -0.998 17610 10412 1 11 . 1 1 161 161 ALA H H 155 8.603 8.603 7.651 0.952 17610 10413 1 11 . 1 1 162 162 PHE N N 156 113.772 113.772 117.954 -4.182 17610 10414 1 11 . 1 1 162 162 PHE HA H 156 3.912 3.912 4.167 -0.255 17610 10415 1 11 . 1 1 162 162 PHE C C 156 177.975 177.975 178.417 -0.442 17610 10416 1 11 . 1 1 162 162 PHE CA C 156 62.851 62.851 62.069 0.782 17610 10417 1 11 . 1 1 162 162 PHE CB C 156 39.472 39.472 38.799 0.673 17610 10418 1 11 . 1 1 162 162 PHE H H 156 7.236 7.236 7.764 -0.528 17610 10419 1 11 . 1 1 163 163 TYR N N 157 120.499 120.499 118.382 2.117 17610 10420 1 11 . 1 1 163 163 TYR HA H 157 4.355 4.355 4.199 0.156 17610 10421 1 11 . 1 1 163 163 TYR C C 157 179.097 179.097 178.088 1.009 17610 10422 1 11 . 1 1 163 163 TYR CA C 157 58.309 58.309 60.266 -1.957 17610 10423 1 11 . 1 1 163 163 TYR CB C 157 35.012 35.012 37.232 -2.220 17610 10424 1 11 . 1 1 163 163 TYR H H 157 9.573 9.573 8.879 0.694 17610 10425 1 11 . 1 1 164 164 THR N N 158 118.206 118.206 115.398 2.808 17610 10426 1 11 . 1 1 164 164 THR HA H 158 3.903 3.903 3.986 -0.083 17610 10427 1 11 . 1 1 164 164 THR C C 158 175.656 175.656 176.249 -0.593 17610 10428 1 11 . 1 1 164 164 THR CA C 158 67.484 67.484 66.138 1.346 17610 10429 1 11 . 1 1 164 164 THR CB C 158 67.819 67.819 68.302 -0.483 17610 10430 1 11 . 1 1 164 164 THR H H 158 8.538 8.538 7.903 0.635 17610 10431 1 11 . 1 1 165 165 LEU N N 159 122.864 122.864 122.108 0.756 17610 10432 1 11 . 1 1 165 165 LEU HA H 159 3.871 3.871 4.107 -0.236 17610 10433 1 11 . 1 1 165 165 LEU C C 159 177.513 177.513 178.234 -0.721 17610 10434 1 11 . 1 1 165 165 LEU CA C 159 57.991 57.991 57.901 0.090 17610 10435 1 11 . 1 1 165 165 LEU CB C 159 40.181 40.181 40.934 -0.753 17610 10436 1 11 . 1 1 165 165 LEU H H 159 7.232 7.232 7.833 -0.601 17610 10437 1 11 . 1 1 166 166 VAL N N 160 120.322 120.322 118.924 1.398 17610 10438 1 11 . 1 1 166 166 VAL HA H 160 3.045 3.045 3.264 -0.219 17610 10439 1 11 . 1 1 166 166 VAL C C 160 177.474 177.474 178.118 -0.644 17610 10440 1 11 . 1 1 166 166 VAL CA C 160 67.389 67.389 66.623 0.766 17610 10441 1 11 . 1 1 166 166 VAL CB C 160 30.944 30.944 30.733 0.211 17610 10442 1 11 . 1 1 166 166 VAL H H 160 7.517 7.517 7.435 0.082 17610 10443 1 11 . 1 1 167 167 ARG N N 161 120.151 120.151 118.898 1.253 17610 10444 1 11 . 1 1 167 167 ARG HA H 161 3.772 3.772 3.966 -0.194 17610 10445 1 11 . 1 1 167 167 ARG C C 161 179.030 179.030 178.954 0.076 17610 10446 1 11 . 1 1 167 167 ARG CA C 161 60.935 60.935 59.490 1.445 17610 10447 1 11 . 1 1 167 167 ARG CB C 161 29.586 29.586 30.212 -0.626 17610 10448 1 11 . 1 1 167 167 ARG H H 161 8.044 8.044 7.618 0.426 17610 10449 1 11 . 1 1 168 168 GLU N N 162 119.201 119.201 119.894 -0.693 17610 10450 1 11 . 1 1 168 168 GLU HA H 162 4.050 4.050 4.083 -0.033 17610 10451 1 11 . 1 1 168 168 GLU C C 162 179.805 179.805 179.416 0.389 17610 10452 1 11 . 1 1 168 168 GLU CA C 162 58.867 58.867 59.477 -0.611 17610 10453 1 11 . 1 1 168 168 GLU CB C 162 30.330 30.330 29.371 0.959 17610 10454 1 11 . 1 1 168 168 GLU H H 162 8.171 8.171 7.610 0.561 17610 10455 1 11 . 1 1 169 169 ILE N N 163 123.244 123.244 120.289 2.955 17610 10456 1 11 . 1 1 169 169 ILE HA H 163 3.583 3.583 3.565 0.018 17610 10457 1 11 . 1 1 169 169 ILE C C 163 178.906 178.906 177.588 1.318 17610 10458 1 11 . 1 1 169 169 ILE CA C 163 66.023 66.023 65.011 1.012 17610 10459 1 11 . 1 1 169 169 ILE CB C 163 38.204 38.204 37.626 0.578 17610 10460 1 11 . 1 1 169 169 ILE H H 163 8.174 8.174 8.392 -0.218 17610 10461 1 11 . 1 1 170 170 ARG N N 164 119.842 119.842 115.634 4.208 17610 10462 1 11 . 1 1 170 170 ARG HA H 164 4.140 4.140 4.036 0.104 17610 10463 1 11 . 1 1 170 170 ARG C C 164 177.532 177.532 177.344 0.188 17610 10464 1 11 . 1 1 170 170 ARG CA C 164 58.944 58.944 58.249 0.695 17610 10465 1 11 . 1 1 170 170 ARG CB C 164 31.206 31.206 30.272 0.934 17610 10466 1 11 . 1 1 170 170 ARG H H 164 8.405 8.405 7.495 0.909 17610 10467 1 11 . 1 1 171 171 GLN N N 165 116.762 116.762 117.526 -0.764 17610 10468 1 11 . 1 1 171 171 GLN HA H 165 4.343 4.343 4.532 -0.189 17610 10469 1 11 . 1 1 171 171 GLN C C 165 175.218 175.218 174.388 0.830 17610 10470 1 11 . 1 1 171 171 GLN CA C 165 56.100 56.100 54.777 1.323 17610 10471 1 11 . 1 1 171 171 GLN CB C 165 29.236 29.236 28.729 0.507 17610 10472 1 11 . 1 1 171 171 GLN H H 165 7.646 7.646 7.543 0.103 17610 10473 1 12 . 1 1 8 8 THR N N 2 124.188 124.188 117.962 6.226 17610 10474 1 12 . 1 1 8 8 THR HA H 2 3.983 3.983 4.408 -0.425 17610 10475 1 12 . 1 1 8 8 THR C C 2 171.971 171.971 173.226 -1.255 17610 10476 1 12 . 1 1 8 8 THR CA C 2 63.551 63.551 61.825 1.726 17610 10477 1 12 . 1 1 8 8 THR CB C 2 69.619 69.619 70.011 -0.392 17610 10478 1 12 . 1 1 8 8 THR H H 2 8.667 8.667 8.386 0.281 17610 10479 1 12 . 1 1 9 9 GLU N N 3 127.895 127.895 126.420 1.475 17610 10480 1 12 . 1 1 9 9 GLU HA H 3 5.280 5.280 4.400 0.880 17610 10481 1 12 . 1 1 9 9 GLU C C 3 175.089 175.089 175.076 0.013 17610 10482 1 12 . 1 1 9 9 GLU CA C 3 53.636 53.636 55.644 -2.008 17610 10483 1 12 . 1 1 9 9 GLU CB C 3 32.029 32.029 30.763 1.266 17610 10484 1 12 . 1 1 9 9 GLU H H 3 8.316 8.316 8.496 -0.180 17610 10485 1 12 . 1 1 10 10 TYR N N 4 123.375 123.375 124.859 -1.484 17610 10486 1 12 . 1 1 10 10 TYR HA H 4 5.131 5.131 4.702 0.429 17610 10487 1 12 . 1 1 10 10 TYR C C 4 174.621 174.621 175.308 -0.687 17610 10488 1 12 . 1 1 10 10 TYR CA C 4 56.649 56.649 56.810 -0.161 17610 10489 1 12 . 1 1 10 10 TYR CB C 4 41.323 41.323 41.725 -0.402 17610 10490 1 12 . 1 1 10 10 TYR H H 4 8.739 8.739 7.854 0.885 17610 10491 1 12 . 1 1 11 11 LYS N N 5 125.147 125.147 122.766 2.381 17610 10492 1 12 . 1 1 11 11 LYS HA H 5 5.168 5.168 4.717 0.451 17610 10493 1 12 . 1 1 11 11 LYS C C 5 175.291 175.291 174.800 0.491 17610 10494 1 12 . 1 1 11 11 LYS CA C 5 55.145 55.145 55.514 -0.369 17610 10495 1 12 . 1 1 11 11 LYS CB C 5 32.225 32.225 33.439 -1.214 17610 10496 1 12 . 1 1 11 11 LYS H H 5 9.142 9.142 8.684 0.458 17610 10497 1 12 . 1 1 12 12 LEU N N 6 127.306 127.306 126.352 0.954 17610 10498 1 12 . 1 1 12 12 LEU HA H 6 4.970 4.970 4.401 0.569 17610 10499 1 12 . 1 1 12 12 LEU C C 6 175.298 175.298 174.706 0.592 17610 10500 1 12 . 1 1 12 12 LEU CA C 6 52.743 52.743 54.045 -1.302 17610 10501 1 12 . 1 1 12 12 LEU CB C 6 43.063 43.063 42.549 0.514 17610 10502 1 12 . 1 1 12 12 LEU H H 6 9.150 9.150 8.855 0.295 17610 10503 1 12 . 1 1 13 13 VAL N N 7 123.170 123.170 126.797 -3.627 17610 10504 1 12 . 1 1 13 13 VAL HA H 7 4.827 4.827 4.174 0.653 17610 10505 1 12 . 1 1 13 13 VAL C C 7 174.230 174.230 175.331 -1.101 17610 10506 1 12 . 1 1 13 13 VAL CB C 7 34.048 34.048 30.723 3.325 17610 10507 1 12 . 1 1 13 13 VAL H H 7 8.113 8.113 7.865 0.248 17610 10508 1 12 . 1 1 14 14 VAL N N 8 129.854 129.854 128.818 1.036 17610 10509 1 12 . 1 1 14 14 VAL HA H 8 4.669 4.669 4.374 0.295 17610 10510 1 12 . 1 1 14 14 VAL C C 8 175.377 175.377 175.998 -0.621 17610 10511 1 12 . 1 1 14 14 VAL CA C 8 61.935 61.935 62.496 -0.561 17610 10512 1 12 . 1 1 14 14 VAL CB C 8 32.496 32.496 31.611 0.884 17610 10513 1 12 . 1 1 14 14 VAL H H 8 8.707 8.707 7.756 0.951 17610 10514 1 12 . 1 1 15 15 VAL N N 9 121.835 121.835 116.871 4.964 17610 10515 1 12 . 1 1 15 15 VAL HA H 9 4.616 4.616 4.611 0.005 17610 10516 1 12 . 1 1 15 15 VAL C C 9 172.824 172.824 174.436 -1.612 17610 10517 1 12 . 1 1 15 15 VAL CA C 9 58.963 58.963 59.664 -0.701 17610 10518 1 12 . 1 1 15 15 VAL CB C 9 35.405 35.405 35.261 0.144 17610 10519 1 12 . 1 1 15 15 VAL H H 9 9.107 9.107 8.881 0.226 17610 10520 1 12 . 1 1 16 16 GLY N N 10 109.233 109.233 104.981 4.252 17610 10521 1 12 . 1 1 16 16 GLY C C 10 172.504 172.504 172.676 -0.172 17610 10522 1 12 . 1 1 16 16 GLY CA C 10 43.848 43.848 44.164 -0.316 17610 10523 1 12 . 1 1 16 16 GLY H H 10 7.394 7.394 7.427 -0.033 17610 10524 1 12 . 1 1 17 17 ALA N N 11 123.120 123.120 122.620 0.500 17610 10525 1 12 . 1 1 17 17 ALA HA H 11 4.547 4.547 4.431 0.116 17610 10526 1 12 . 1 1 17 17 ALA C C 11 177.371 177.371 178.712 -1.341 17610 10527 1 12 . 1 1 17 17 ALA CA C 11 52.236 52.236 52.528 -0.292 17610 10528 1 12 . 1 1 17 17 ALA CB C 11 19.807 19.807 19.596 0.211 17610 10529 1 12 . 1 1 17 17 ALA H H 11 9.054 9.054 8.503 0.551 17610 10530 1 12 . 1 1 18 18 GLY N N 12 107.391 107.391 108.659 -1.268 17610 10531 1 12 . 1 1 18 18 GLY C C 12 176.858 176.858 175.605 1.253 17610 10532 1 12 . 1 1 18 18 GLY CA C 12 46.465 46.465 46.680 -0.215 17610 10533 1 12 . 1 1 18 18 GLY H H 12 8.694 8.694 9.062 -0.368 17610 10534 1 12 . 1 1 19 19 GLY N N 13 114.596 114.596 108.347 6.249 17610 10535 1 12 . 1 1 19 19 GLY C C 13 174.661 174.661 174.108 0.553 17610 10536 1 12 . 1 1 19 19 GLY CA C 13 46.545 46.545 44.629 1.916 17610 10537 1 12 . 1 1 19 19 GLY H H 13 8.916 8.916 8.441 0.475 17610 10538 1 12 . 1 1 20 20 VAL N N 14 113.376 113.376 114.663 -1.287 17610 10539 1 12 . 1 1 20 20 VAL HA H 14 4.008 4.008 4.479 -0.471 17610 10540 1 12 . 1 1 20 20 VAL C C 14 174.469 174.469 175.295 -0.826 17610 10541 1 12 . 1 1 20 20 VAL CA C 14 62.825 62.825 60.116 2.709 17610 10542 1 12 . 1 1 20 20 VAL CB C 14 31.740 31.740 32.849 -1.109 17610 10543 1 12 . 1 1 20 20 VAL H H 14 7.427 7.427 7.370 0.057 17610 10544 1 12 . 1 1 21 21 GLY N N 15 109.392 109.392 108.098 1.294 17610 10545 1 12 . 1 1 21 21 GLY C C 15 173.254 173.254 175.440 -2.186 17610 10546 1 12 . 1 1 21 21 GLY CA C 15 45.708 45.708 46.065 -0.357 17610 10547 1 12 . 1 1 21 21 GLY H H 15 8.388 8.388 8.072 0.316 17610 10548 1 12 . 1 1 22 22 LYS N N 16 124.844 124.844 119.862 4.982 17610 10549 1 12 . 1 1 22 22 LYS HA H 16 3.537 3.537 3.882 -0.345 17610 10550 1 12 . 1 1 22 22 LYS C C 16 179.106 179.106 177.525 1.581 17610 10551 1 12 . 1 1 22 22 LYS CA C 16 60.990 60.990 59.584 1.406 17610 10552 1 12 . 1 1 22 22 LYS CB C 16 29.967 29.967 31.848 -1.881 17610 10553 1 12 . 1 1 22 22 LYS H H 16 9.097 9.097 8.236 0.861 17610 10554 1 12 . 1 1 23 23 SER N N 17 121.228 121.228 115.201 6.027 17610 10555 1 12 . 1 1 23 23 SER HA H 17 4.292 4.292 4.173 0.119 17610 10556 1 12 . 1 1 23 23 SER C C 17 175.697 175.697 176.167 -0.470 17610 10557 1 12 . 1 1 23 23 SER CA C 17 61.346 61.346 61.895 -0.549 17610 10558 1 12 . 1 1 23 23 SER CB C 17 61.337 61.337 62.609 -1.272 17610 10559 1 12 . 1 1 23 23 SER H H 17 9.546 9.546 8.469 1.077 17610 10560 1 12 . 1 1 24 24 ALA N N 18 126.557 126.557 124.615 1.942 17610 10561 1 12 . 1 1 24 24 ALA HA H 18 3.946 3.946 3.728 0.218 17610 10562 1 12 . 1 1 24 24 ALA C C 18 181.834 181.834 179.518 2.316 17610 10563 1 12 . 1 1 24 24 ALA CA C 18 54.587 54.587 54.514 0.073 17610 10564 1 12 . 1 1 24 24 ALA CB C 18 18.539 18.539 17.977 0.562 17610 10565 1 12 . 1 1 24 24 ALA H H 18 9.189 9.189 7.204 1.985 17610 10566 1 12 . 1 1 25 25 LEU N N 19 121.712 121.712 118.906 2.806 17610 10567 1 12 . 1 1 25 25 LEU HA H 19 3.878 3.878 3.819 0.059 17610 10568 1 12 . 1 1 25 25 LEU C C 19 177.485 177.485 179.357 -1.872 17610 10569 1 12 . 1 1 25 25 LEU CA C 19 58.729 58.729 58.213 0.516 17610 10570 1 12 . 1 1 25 25 LEU CB C 19 43.227 43.227 41.479 1.748 17610 10571 1 12 . 1 1 25 25 LEU H H 19 8.817 8.817 7.747 1.070 17610 10572 1 12 . 1 1 26 26 THR N N 20 118.148 118.148 116.013 2.135 17610 10573 1 12 . 1 1 26 26 THR HA H 20 3.401 3.401 3.782 -0.381 17610 10574 1 12 . 1 1 26 26 THR C C 20 175.714 175.714 176.784 -1.070 17610 10575 1 12 . 1 1 26 26 THR CA C 20 68.122 68.122 66.766 1.356 17610 10576 1 12 . 1 1 26 26 THR CB C 20 68.196 68.196 68.741 -0.545 17610 10577 1 12 . 1 1 26 26 THR H H 20 7.517 7.517 8.051 -0.534 17610 10578 1 12 . 1 1 27 27 ILE N N 21 121.987 121.987 119.556 2.431 17610 10579 1 12 . 1 1 27 27 ILE HA H 21 3.302 3.302 3.306 -0.004 17610 10580 1 12 . 1 1 27 27 ILE C C 21 175.380 175.380 177.845 -2.465 17610 10581 1 12 . 1 1 27 27 ILE CA C 21 64.278 64.278 62.964 1.314 17610 10582 1 12 . 1 1 27 27 ILE CB C 21 36.758 36.758 35.459 1.299 17610 10583 1 12 . 1 1 27 27 ILE H H 21 8.950 8.950 7.600 1.350 17610 10584 1 12 . 1 1 28 28 GLN N N 22 121.898 121.898 118.957 2.941 17610 10585 1 12 . 1 1 28 28 GLN HA H 22 4.334 4.334 4.077 0.257 17610 10586 1 12 . 1 1 28 28 GLN C C 22 179.058 179.058 178.890 0.168 17610 10587 1 12 . 1 1 28 28 GLN CA C 22 58.796 58.796 58.176 0.620 17610 10588 1 12 . 1 1 28 28 GLN CB C 22 29.752 29.752 28.507 1.245 17610 10589 1 12 . 1 1 28 28 GLN H H 22 8.094 8.094 8.052 0.042 17610 10590 1 12 . 1 1 29 29 LEU N N 23 121.426 121.426 120.242 1.184 17610 10591 1 12 . 1 1 29 29 LEU HA H 23 3.765 3.765 4.051 -0.286 17610 10592 1 12 . 1 1 29 29 LEU C C 23 178.155 178.155 177.200 0.955 17610 10593 1 12 . 1 1 29 29 LEU CA C 23 58.304 58.304 56.444 1.860 17610 10594 1 12 . 1 1 29 29 LEU CB C 23 40.637 40.637 41.881 -1.244 17610 10595 1 12 . 1 1 29 29 LEU H H 23 7.746 7.746 8.111 -0.365 17610 10596 1 12 . 1 1 30 30 ILE N N 24 115.325 115.325 117.571 -2.246 17610 10597 1 12 . 1 1 30 30 ILE HA H 24 3.697 3.697 3.914 -0.217 17610 10598 1 12 . 1 1 30 30 ILE C C 24 177.421 177.421 177.062 0.359 17610 10599 1 12 . 1 1 30 30 ILE CA C 24 62.050 62.050 62.396 -0.346 17610 10600 1 12 . 1 1 30 30 ILE CB C 24 37.183 37.183 37.849 -0.666 17610 10601 1 12 . 1 1 30 30 ILE H H 24 8.115 8.115 7.165 0.950 17610 10602 1 12 . 1 1 31 31 GLN N N 25 117.213 117.213 116.326 0.887 17610 10603 1 12 . 1 1 31 31 GLN HA H 25 4.539 4.539 4.162 0.377 17610 10604 1 12 . 1 1 31 31 GLN C C 25 176.149 176.149 175.879 0.270 17610 10605 1 12 . 1 1 31 31 GLN CA C 25 55.234 55.234 56.214 -0.980 17610 10606 1 12 . 1 1 31 31 GLN CB C 25 30.184 30.184 30.168 0.017 17610 10607 1 12 . 1 1 31 31 GLN H H 25 8.887 8.887 7.778 1.109 17610 10608 1 12 . 1 1 32 32 ASN N N 26 117.820 117.820 115.592 2.228 17610 10609 1 12 . 1 1 32 32 ASN HA H 26 4.807 4.807 4.483 0.324 17610 10610 1 12 . 1 1 32 32 ASN C C 26 174.051 174.051 173.220 0.831 17610 10611 1 12 . 1 1 32 32 ASN CA C 26 54.310 54.310 54.062 0.248 17610 10612 1 12 . 1 1 32 32 ASN CB C 26 37.184 37.184 36.724 0.459 17610 10613 1 12 . 1 1 32 32 ASN H H 26 7.982 7.982 8.257 -0.275 17610 10614 1 12 . 1 1 33 33 HIS N N 27 112.968 112.968 112.593 0.375 17610 10615 1 12 . 1 1 33 33 HIS HA H 27 4.889 4.889 4.652 0.237 17610 10616 1 12 . 1 1 33 33 HIS C C 27 172.514 172.514 173.035 -0.521 17610 10617 1 12 . 1 1 33 33 HIS CA C 27 54.314 54.314 54.745 -0.431 17610 10618 1 12 . 1 1 33 33 HIS CB C 27 32.616 32.616 30.512 2.104 17610 10619 1 12 . 1 1 33 33 HIS H H 27 6.804 6.804 7.106 -0.302 17610 10620 1 12 . 1 1 34 34 PHE N N 28 123.605 123.605 122.618 0.987 17610 10621 1 12 . 1 1 34 34 PHE HA H 28 4.914 4.914 4.421 0.493 17610 10622 1 12 . 1 1 34 34 PHE C C 28 174.641 174.641 175.383 -0.742 17610 10623 1 12 . 1 1 34 34 PHE CA C 28 55.754 55.754 58.476 -2.722 17610 10624 1 12 . 1 1 34 34 PHE CB C 28 40.573 40.573 40.105 0.468 17610 10625 1 12 . 1 1 34 34 PHE H H 28 8.462 8.462 8.345 0.117 17610 10626 1 12 . 1 1 35 35 VAL N N 29 126.695 126.695 126.195 0.500 17610 10627 1 12 . 1 1 35 35 VAL HA H 29 3.911 3.911 3.902 0.009 17610 10628 1 12 . 1 1 35 35 VAL C C 29 173.764 173.764 175.248 -1.484 17610 10629 1 12 . 1 1 35 35 VAL CA C 29 61.275 61.275 64.139 -2.864 17610 10630 1 12 . 1 1 35 35 VAL CB C 29 33.154 33.154 31.915 1.239 17610 10631 1 12 . 1 1 35 35 VAL H H 29 7.537 7.537 7.879 -0.342 17610 10632 1 12 . 1 1 36 36 ASP N N 30 123.271 123.271 123.212 0.059 17610 10633 1 12 . 1 1 36 36 ASP HA H 30 4.185 4.185 4.756 -0.571 17610 10634 1 12 . 1 1 36 36 ASP C C 30 176.129 176.129 174.964 1.165 17610 10635 1 12 . 1 1 36 36 ASP CA C 30 54.662 54.662 54.875 -0.213 17610 10636 1 12 . 1 1 36 36 ASP CB C 30 41.323 41.323 41.595 -0.272 17610 10637 1 12 . 1 1 36 36 ASP H H 30 7.618 7.618 8.872 -1.254 17610 10638 1 12 . 1 1 37 37 GLU N N 31 119.730 119.730 118.718 1.012 17610 10639 1 12 . 1 1 37 37 GLU HA H 31 4.262 4.262 4.657 -0.395 17610 10640 1 12 . 1 1 37 37 GLU C C 31 174.901 174.901 175.547 -0.646 17610 10641 1 12 . 1 1 37 37 GLU CA C 31 56.137 56.137 56.085 0.052 17610 10642 1 12 . 1 1 37 37 GLU CB C 31 30.459 30.459 29.841 0.618 17610 10643 1 12 . 1 1 37 37 GLU H H 31 7.857 7.857 8.499 -0.642 17610 10644 1 12 . 1 1 38 38 TYR N N 32 123.296 123.296 119.674 3.622 17610 10645 1 12 . 1 1 38 38 TYR HA H 32 4.486 4.486 4.912 -0.426 17610 10646 1 12 . 1 1 38 38 TYR C C 32 174.370 174.370 174.629 -0.259 17610 10647 1 12 . 1 1 38 38 TYR CA C 32 57.511 57.511 56.770 0.741 17610 10648 1 12 . 1 1 38 38 TYR CB C 32 39.199 39.199 39.837 -0.638 17610 10649 1 12 . 1 1 38 38 TYR H H 32 8.244 8.244 8.068 0.176 17610 10650 1 12 . 1 1 39 39 ASP N N 33 127.452 127.452 121.700 5.752 17610 10651 1 12 . 1 1 39 39 ASP HA H 33 4.891 4.891 4.415 0.476 17610 10652 1 12 . 1 1 39 39 ASP CA C 33 51.207 51.207 52.424 -1.217 17610 10653 1 12 . 1 1 39 39 ASP CB C 33 41.837 41.837 40.386 1.451 17610 10654 1 12 . 1 1 39 39 ASP H H 33 8.158 8.158 8.273 -0.115 17610 10655 1 12 . 1 1 40 40 PRO HA H 34 4.405 4.405 4.031 0.374 17610 10656 1 12 . 1 1 40 40 PRO C C 34 176.938 176.938 176.931 0.007 17610 10657 1 12 . 1 1 40 40 PRO CA C 34 63.068 63.068 63.957 -0.889 17610 10658 1 12 . 1 1 40 40 PRO CB C 34 32.089 32.089 32.096 -0.007 17610 10659 1 12 . 1 1 41 41 SER N N 35 117.575 117.575 114.683 2.892 17610 10660 1 12 . 1 1 41 41 SER HA H 35 4.433 4.433 4.712 -0.279 17610 10661 1 12 . 1 1 41 41 SER C C 35 174.777 174.777 173.823 0.954 17610 10662 1 12 . 1 1 41 41 SER CA C 35 58.346 58.346 58.090 0.256 17610 10663 1 12 . 1 1 41 41 SER CB C 35 63.704 63.704 64.192 -0.488 17610 10664 1 12 . 1 1 41 41 SER H H 35 8.495 8.495 7.798 0.697 17610 10665 1 12 . 1 1 42 42 ILE N N 36 123.018 123.018 120.192 2.826 17610 10666 1 12 . 1 1 42 42 ILE HA H 36 4.219 4.219 4.535 -0.316 17610 10667 1 12 . 1 1 42 42 ILE C C 36 175.966 175.966 173.403 2.563 17610 10668 1 12 . 1 1 42 42 ILE CA C 36 61.665 61.665 60.620 1.046 17610 10669 1 12 . 1 1 42 42 ILE CB C 36 38.745 38.745 39.760 -1.015 17610 10670 1 12 . 1 1 42 42 ILE H H 36 7.919 7.919 7.803 0.116 17610 10671 1 12 . 1 1 43 43 GLU N N 37 124.699 124.699 117.545 7.154 17610 10672 1 12 . 1 1 43 43 GLU HA H 37 4.381 4.381 4.406 -0.025 17610 10673 1 12 . 1 1 43 43 GLU C C 37 179.069 179.069 175.887 3.182 17610 10674 1 12 . 1 1 43 43 GLU CA C 37 56.223 56.223 55.424 0.799 17610 10675 1 12 . 1 1 43 43 GLU CB C 37 30.616 30.616 30.846 -0.230 17610 10676 1 12 . 1 1 43 43 GLU H H 37 8.201 8.201 8.467 -0.266 17610 10677 1 12 . 1 1 44 44 ASP N N 38 121.902 121.902 121.628 0.274 17610 10678 1 12 . 1 1 44 44 ASP HA H 38 4.622 4.622 4.486 0.136 17610 10679 1 12 . 1 1 44 44 ASP C C 38 174.634 174.634 175.234 -0.600 17610 10680 1 12 . 1 1 44 44 ASP CA C 38 54.095 54.095 53.815 0.280 17610 10681 1 12 . 1 1 44 44 ASP CB C 38 41.837 41.837 38.990 2.847 17610 10682 1 12 . 1 1 44 44 ASP H H 38 8.094 8.094 8.238 -0.144 17610 10683 1 12 . 1 1 45 45 SER N N 39 114.779 114.779 114.601 0.178 17610 10684 1 12 . 1 1 45 45 SER HA H 39 4.923 4.923 4.149 0.774 17610 10685 1 12 . 1 1 45 45 SER C C 39 173.339 173.339 174.121 -0.782 17610 10686 1 12 . 1 1 45 45 SER CA C 39 57.023 57.023 58.934 -1.911 17610 10687 1 12 . 1 1 45 45 SER CB C 39 64.751 64.751 63.858 0.893 17610 10688 1 12 . 1 1 45 45 SER H H 39 7.792 7.792 7.801 -0.009 17610 10689 1 12 . 1 1 46 46 TYR N N 40 124.235 124.235 122.732 1.503 17610 10690 1 12 . 1 1 46 46 TYR HA H 40 4.662 4.662 4.564 0.098 17610 10691 1 12 . 1 1 46 46 TYR C C 40 173.910 173.910 175.294 -1.384 17610 10692 1 12 . 1 1 46 46 TYR CA C 40 56.944 56.944 57.494 -0.550 17610 10693 1 12 . 1 1 46 46 TYR CB C 40 41.323 41.323 40.349 0.974 17610 10694 1 12 . 1 1 46 46 TYR H H 40 8.976 8.976 7.882 1.094 17610 10695 1 12 . 1 1 47 47 ARG N N 41 121.906 121.906 119.283 2.623 17610 10696 1 12 . 1 1 47 47 ARG HA H 41 5.802 5.802 4.846 0.956 17610 10697 1 12 . 1 1 47 47 ARG C C 41 176.150 176.150 174.857 1.293 17610 10698 1 12 . 1 1 47 47 ARG CA C 41 54.129 54.129 55.512 -1.383 17610 10699 1 12 . 1 1 47 47 ARG CB C 41 34.105 34.105 32.279 1.826 17610 10700 1 12 . 1 1 47 47 ARG H H 41 8.238 8.238 8.654 -0.416 17610 10701 1 12 . 1 1 48 48 LYS N N 42 123.924 123.924 125.074 -1.150 17610 10702 1 12 . 1 1 48 48 LYS HA H 42 4.508 4.508 4.581 -0.073 17610 10703 1 12 . 1 1 48 48 LYS C C 42 173.710 173.710 174.960 -1.250 17610 10704 1 12 . 1 1 48 48 LYS CA C 42 55.651 55.651 54.740 0.911 17610 10705 1 12 . 1 1 48 48 LYS CB C 42 38.139 38.139 35.616 2.523 17610 10706 1 12 . 1 1 48 48 LYS H H 42 8.705 8.705 8.248 0.457 17610 10707 1 12 . 1 1 49 49 GLN N N 43 130.301 130.301 126.937 3.364 17610 10708 1 12 . 1 1 49 49 GLN HA H 43 5.230 5.230 4.506 0.724 17610 10709 1 12 . 1 1 49 49 GLN C C 43 175.254 175.254 175.097 0.157 17610 10710 1 12 . 1 1 49 49 GLN CA C 43 55.496 55.496 55.969 -0.473 17610 10711 1 12 . 1 1 49 49 GLN CB C 43 29.892 29.892 29.759 0.133 17610 10712 1 12 . 1 1 49 49 GLN H H 43 8.897 8.897 8.658 0.239 17610 10713 1 12 . 1 1 50 50 VAL N N 44 122.354 122.354 120.450 1.904 17610 10714 1 12 . 1 1 50 50 VAL HA H 44 4.772 4.772 4.658 0.114 17610 10715 1 12 . 1 1 50 50 VAL C C 44 173.116 173.116 173.534 -0.418 17610 10716 1 12 . 1 1 50 50 VAL CA C 44 59.238 59.238 59.347 -0.109 17610 10717 1 12 . 1 1 50 50 VAL CB C 44 35.888 35.888 35.748 0.140 17610 10718 1 12 . 1 1 50 50 VAL H H 44 9.104 9.104 8.964 0.140 17610 10719 1 12 . 1 1 51 51 VAL N N 45 122.385 122.385 120.556 1.829 17610 10720 1 12 . 1 1 51 51 VAL HA H 45 4.462 4.462 4.412 0.050 17610 10721 1 12 . 1 1 51 51 VAL C C 45 175.450 175.450 175.463 -0.013 17610 10722 1 12 . 1 1 51 51 VAL CA C 45 61.832 61.832 61.731 0.101 17610 10723 1 12 . 1 1 51 51 VAL CB C 45 32.228 32.228 31.556 0.672 17610 10724 1 12 . 1 1 51 51 VAL H H 45 8.100 8.100 8.405 -0.305 17610 10725 1 12 . 1 1 52 52 ILE N N 46 126.953 126.953 128.973 -2.020 17610 10726 1 12 . 1 1 52 52 ILE HA H 46 3.995 3.995 3.961 0.034 17610 10727 1 12 . 1 1 52 52 ILE C C 46 176.424 176.424 175.823 0.601 17610 10728 1 12 . 1 1 52 52 ILE CA C 46 60.343 60.343 60.212 0.130 17610 10729 1 12 . 1 1 52 52 ILE CB C 46 40.096 40.096 36.441 3.655 17610 10730 1 12 . 1 1 52 52 ILE H H 46 8.118 8.118 8.921 -0.802 17610 10731 1 12 . 1 1 53 53 ASP N N 47 132.206 132.206 125.690 6.516 17610 10732 1 12 . 1 1 53 53 ASP HA H 47 4.267 4.267 4.291 -0.024 17610 10733 1 12 . 1 1 53 53 ASP C C 47 176.121 176.121 176.185 -0.064 17610 10734 1 12 . 1 1 53 53 ASP CA C 47 55.267 55.267 55.229 0.038 17610 10735 1 12 . 1 1 53 53 ASP CB C 47 39.203 39.203 39.372 -0.169 17610 10736 1 12 . 1 1 53 53 ASP H H 47 9.605 9.605 9.005 0.600 17610 10737 1 12 . 1 1 54 54 GLY N N 48 104.275 104.275 103.953 0.322 17610 10738 1 12 . 1 1 54 54 GLY C C 48 173.219 173.219 173.955 -0.736 17610 10739 1 12 . 1 1 54 54 GLY CA C 48 45.318 45.318 44.913 0.404 17610 10740 1 12 . 1 1 54 54 GLY H H 48 8.332 8.332 8.301 0.031 17610 10741 1 12 . 1 1 55 55 GLU N N 49 123.384 123.384 124.408 -1.024 17610 10742 1 12 . 1 1 55 55 GLU HA H 49 4.691 4.691 4.377 0.314 17610 10743 1 12 . 1 1 55 55 GLU C C 49 175.614 175.614 175.767 -0.153 17610 10744 1 12 . 1 1 55 55 GLU CA C 49 54.719 54.719 55.038 -0.319 17610 10745 1 12 . 1 1 55 55 GLU CB C 49 31.803 31.803 30.262 1.541 17610 10746 1 12 . 1 1 55 55 GLU H H 49 7.684 7.684 7.840 -0.156 17610 10747 1 12 . 1 1 56 56 THR N N 50 127.153 127.153 123.652 3.501 17610 10748 1 12 . 1 1 56 56 THR HA H 50 4.727 4.727 4.850 -0.123 17610 10749 1 12 . 1 1 56 56 THR C C 50 173.530 173.530 173.884 -0.354 17610 10750 1 12 . 1 1 56 56 THR CA C 50 63.521 63.521 63.735 -0.214 17610 10751 1 12 . 1 1 56 56 THR CB C 50 68.478 68.478 69.406 -0.928 17610 10752 1 12 . 1 1 56 56 THR H H 50 8.951 8.951 8.551 0.400 17610 10753 1 12 . 1 1 57 57 CYS N N 51 124.835 124.835 123.728 1.107 17610 10754 1 12 . 1 1 57 57 CYS HA H 51 5.086 5.086 4.862 0.224 17610 10755 1 12 . 1 1 57 57 CYS C C 51 170.937 170.937 173.286 -2.349 17610 10756 1 12 . 1 1 57 57 CYS CA C 51 56.423 56.423 57.722 -1.299 17610 10757 1 12 . 1 1 57 57 CYS CB C 51 31.549 31.549 31.733 -0.184 17610 10758 1 12 . 1 1 57 57 CYS H H 51 9.424 9.424 9.187 0.237 17610 10759 1 12 . 1 1 58 58 LEU N N 52 123.111 123.111 123.373 -0.262 17610 10760 1 12 . 1 1 58 58 LEU HA H 52 4.943 4.943 4.415 0.528 17610 10761 1 12 . 1 1 58 58 LEU C C 52 175.044 175.044 175.821 -0.777 17610 10762 1 12 . 1 1 58 58 LEU CA C 52 53.372 53.372 55.217 -1.845 17610 10763 1 12 . 1 1 58 58 LEU CB C 52 44.304 44.304 43.277 1.027 17610 10764 1 12 . 1 1 58 58 LEU H H 52 8.803 8.803 9.066 -0.263 17610 10765 1 12 . 1 1 59 59 LEU N N 53 124.540 124.540 124.172 0.368 17610 10766 1 12 . 1 1 59 59 LEU HA H 53 4.888 4.888 4.628 0.260 17610 10767 1 12 . 1 1 59 59 LEU C C 53 174.358 174.358 175.195 -0.837 17610 10768 1 12 . 1 1 59 59 LEU CA C 53 53.490 53.490 53.726 -0.236 17610 10769 1 12 . 1 1 59 59 LEU CB C 53 42.195 42.195 42.451 -0.256 17610 10770 1 12 . 1 1 59 59 LEU H H 53 9.054 9.054 8.565 0.489 17610 10771 1 12 . 1 1 60 60 ASP N N 54 126.666 126.666 126.060 0.606 17610 10772 1 12 . 1 1 60 60 ASP HA H 54 5.225 5.225 5.093 0.132 17610 10773 1 12 . 1 1 60 60 ASP C C 54 174.846 174.846 175.256 -0.410 17610 10774 1 12 . 1 1 60 60 ASP CA C 54 53.040 53.040 52.577 0.463 17610 10775 1 12 . 1 1 60 60 ASP CB C 54 42.622 42.622 41.356 1.266 17610 10776 1 12 . 1 1 60 60 ASP H H 54 8.739 8.739 8.238 0.501 17610 10777 1 12 . 1 1 61 61 ILE N N 55 125.100 125.100 125.659 -0.559 17610 10778 1 12 . 1 1 61 61 ILE HA H 55 4.690 4.690 4.091 0.599 17610 10779 1 12 . 1 1 61 61 ILE C C 55 174.745 174.745 175.060 -0.315 17610 10780 1 12 . 1 1 61 61 ILE CA C 55 60.331 60.331 59.125 1.206 17610 10781 1 12 . 1 1 61 61 ILE CB C 55 39.682 39.682 36.407 3.276 17610 10782 1 12 . 1 1 61 61 ILE H H 55 9.115 9.115 8.044 1.071 17610 10783 1 12 . 1 1 62 62 LEU N N 56 131.208 131.208 129.557 1.651 17610 10784 1 12 . 1 1 62 62 LEU HA H 56 4.667 4.667 4.434 0.233 17610 10785 1 12 . 1 1 62 62 LEU C C 56 174.063 174.063 174.984 -0.921 17610 10786 1 12 . 1 1 62 62 LEU CA C 56 53.795 53.795 54.358 -0.562 17610 10787 1 12 . 1 1 62 62 LEU CB C 56 42.256 42.256 43.994 -1.738 17610 10788 1 12 . 1 1 62 62 LEU H H 56 9.014 9.014 8.879 0.136 17610 10789 1 12 . 1 1 63 63 ASP N N 57 128.415 128.415 123.912 4.503 17610 10790 1 12 . 1 1 63 63 ASP HA H 57 4.783 4.783 4.792 -0.009 17610 10791 1 12 . 1 1 63 63 ASP C C 57 176.341 176.341 175.645 0.696 17610 10792 1 12 . 1 1 63 63 ASP CA C 57 52.988 52.988 52.406 0.582 17610 10793 1 12 . 1 1 63 63 ASP CB C 57 41.837 41.837 41.645 0.193 17610 10794 1 12 . 1 1 63 63 ASP H H 57 8.657 8.657 8.417 0.240 17610 10795 1 12 . 1 1 64 64 THR N N 58 114.950 114.950 115.442 -0.492 17610 10796 1 12 . 1 1 64 64 THR HA H 58 4.425 4.425 4.198 0.227 17610 10797 1 12 . 1 1 64 64 THR C C 58 172.734 172.734 174.307 -1.573 17610 10798 1 12 . 1 1 64 64 THR CA C 58 61.488 61.488 61.560 -0.072 17610 10799 1 12 . 1 1 64 64 THR CB C 58 71.398 71.398 69.918 1.480 17610 10800 1 12 . 1 1 64 64 THR H H 58 7.369 7.369 7.928 -0.558 17610 10801 1 12 . 1 1 65 65 ALA N N 59 123.940 123.940 120.804 3.136 17610 10802 1 12 . 1 1 65 65 ALA HA H 59 4.764 4.764 4.675 0.089 17610 10803 1 12 . 1 1 65 65 ALA C C 59 179.480 179.480 176.372 3.108 17610 10804 1 12 . 1 1 65 65 ALA CA C 59 51.422 51.422 50.713 0.709 17610 10805 1 12 . 1 1 65 65 ALA CB C 59 20.796 20.796 21.208 -0.412 17610 10806 1 12 . 1 1 65 65 ALA H H 59 8.329 8.329 7.848 0.481 17610 10807 1 12 . 1 1 66 66 GLY N N 60 112.527 112.527 106.460 6.067 17610 10808 1 12 . 1 1 66 66 GLY C C 60 174.938 174.938 175.016 -0.078 17610 10809 1 12 . 1 1 66 66 GLY CA C 60 46.057 46.057 45.477 0.580 17610 10810 1 12 . 1 1 66 66 GLY H H 60 9.397 9.397 8.512 0.885 17610 10811 1 12 . 1 1 67 67 GLN N N 61 120.877 120.877 116.383 4.494 17610 10812 1 12 . 1 1 67 67 GLN HA H 61 4.422 4.422 4.716 -0.294 17610 10813 1 12 . 1 1 67 67 GLN C C 61 176.298 176.298 175.068 1.230 17610 10814 1 12 . 1 1 67 67 GLN CA C 61 56.355 56.355 55.921 0.434 17610 10815 1 12 . 1 1 67 67 GLN CB C 61 29.438 29.438 29.268 0.170 17610 10816 1 12 . 1 1 67 67 GLN H H 61 8.237 8.237 7.962 0.275 17610 10817 1 12 . 1 1 68 68 GLU N N 62 123.751 123.751 119.786 3.965 17610 10818 1 12 . 1 1 68 68 GLU HA H 62 4.208 4.208 4.287 -0.079 17610 10819 1 12 . 1 1 68 68 GLU C C 62 177.032 177.032 174.693 2.339 17610 10820 1 12 . 1 1 68 68 GLU CA C 62 57.801 57.801 56.767 1.034 17610 10821 1 12 . 1 1 68 68 GLU CB C 62 29.834 29.834 30.931 -1.097 17610 10822 1 12 . 1 1 68 68 GLU H H 62 8.738 8.738 8.499 0.239 17610 10823 1 12 . 1 1 69 69 GLU N N 63 121.861 121.861 121.460 0.401 17610 10824 1 12 . 1 1 69 69 GLU HA H 63 4.228 4.228 4.193 0.035 17610 10825 1 12 . 1 1 69 69 GLU C C 63 176.145 176.145 174.910 1.235 17610 10826 1 12 . 1 1 69 69 GLU CA C 63 57.026 57.026 56.242 0.784 17610 10827 1 12 . 1 1 69 69 GLU CB C 63 30.231 30.231 27.988 2.243 17610 10828 1 12 . 1 1 69 69 GLU H H 63 8.607 8.607 8.509 0.098 17610 10829 1 12 . 1 1 70 70 TYR N N 64 121.801 121.801 120.158 1.643 17610 10830 1 12 . 1 1 70 70 TYR HA H 64 4.587 4.587 5.011 -0.424 17610 10831 1 12 . 1 1 70 70 TYR C C 64 175.965 175.965 175.657 0.308 17610 10832 1 12 . 1 1 70 70 TYR CA C 64 58.160 58.160 55.820 2.340 17610 10833 1 12 . 1 1 70 70 TYR CB C 64 38.288 38.288 40.918 -2.630 17610 10834 1 12 . 1 1 70 70 TYR H H 64 8.225 8.225 7.435 0.790 17610 10835 1 12 . 1 1 71 71 SER N N 65 120.137 120.137 118.411 1.726 17610 10836 1 12 . 1 1 71 71 SER HA H 65 4.269 4.269 3.965 0.304 17610 10837 1 12 . 1 1 71 71 SER C C 65 174.912 174.912 175.747 -0.835 17610 10838 1 12 . 1 1 71 71 SER CA C 65 58.755 58.755 61.021 -2.266 17610 10839 1 12 . 1 1 71 71 SER CB C 65 63.755 63.755 62.740 1.015 17610 10840 1 12 . 1 1 71 71 SER H H 65 7.884 7.884 9.084 -1.200 17610 10841 1 12 . 1 1 72 72 ALA N N 66 127.848 127.848 123.797 4.051 17610 10842 1 12 . 1 1 72 72 ALA HA H 66 4.193 4.193 3.956 0.237 17610 10843 1 12 . 1 1 72 72 ALA C C 66 179.820 179.820 179.123 0.697 17610 10844 1 12 . 1 1 72 72 ALA CA C 66 54.595 54.595 55.029 -0.434 17610 10845 1 12 . 1 1 72 72 ALA CB C 66 18.264 18.264 18.526 -0.263 17610 10846 1 12 . 1 1 72 72 ALA H H 66 8.706 8.706 8.188 0.518 17610 10847 1 12 . 1 1 73 73 MET N N 67 118.448 118.448 116.647 1.801 17610 10848 1 12 . 1 1 73 73 MET HA H 67 4.271 4.271 4.270 0.001 17610 10849 1 12 . 1 1 73 73 MET C C 67 177.098 177.098 177.921 -0.823 17610 10850 1 12 . 1 1 73 73 MET CA C 67 56.915 56.915 56.831 0.084 17610 10851 1 12 . 1 1 73 73 MET CB C 67 32.031 32.031 32.239 -0.208 17610 10852 1 12 . 1 1 73 73 MET H H 67 8.007 8.007 7.755 0.252 17610 10853 1 12 . 1 1 74 74 ARG N N 68 121.351 121.351 119.094 2.257 17610 10854 1 12 . 1 1 74 74 ARG HA H 68 3.793 3.793 4.105 -0.312 17610 10855 1 12 . 1 1 74 74 ARG C C 68 177.730 177.730 177.636 0.094 17610 10856 1 12 . 1 1 74 74 ARG CA C 68 59.093 59.093 59.294 -0.201 17610 10857 1 12 . 1 1 74 74 ARG CB C 68 30.118 30.118 29.753 0.365 17610 10858 1 12 . 1 1 74 74 ARG H H 68 7.761 7.761 8.123 -0.362 17610 10859 1 12 . 1 1 75 75 ASP N N 69 119.938 119.938 118.499 1.439 17610 10860 1 12 . 1 1 75 75 ASP HA H 69 4.286 4.286 4.501 -0.215 17610 10861 1 12 . 1 1 75 75 ASP C C 69 177.998 177.998 177.767 0.231 17610 10862 1 12 . 1 1 75 75 ASP CA C 69 57.555 57.555 57.240 0.315 17610 10863 1 12 . 1 1 75 75 ASP CB C 69 40.401 40.401 40.862 -0.461 17610 10864 1 12 . 1 1 75 75 ASP H H 69 8.077 8.077 8.163 -0.086 17610 10865 1 12 . 1 1 76 76 GLN N N 70 119.151 119.151 119.288 -0.137 17610 10866 1 12 . 1 1 76 76 GLN HA H 70 4.050 4.050 4.013 0.037 17610 10867 1 12 . 1 1 76 76 GLN C C 70 178.837 178.837 177.945 0.892 17610 10868 1 12 . 1 1 76 76 GLN CA C 70 58.920 58.920 58.489 0.431 17610 10869 1 12 . 1 1 76 76 GLN CB C 70 28.063 28.063 28.286 -0.223 17610 10870 1 12 . 1 1 76 76 GLN H H 70 7.789 7.789 7.446 0.343 17610 10871 1 12 . 1 1 77 77 TYR N N 71 119.847 119.847 118.709 1.138 17610 10872 1 12 . 1 1 77 77 TYR HA H 71 4.548 4.548 4.510 0.038 17610 10873 1 12 . 1 1 77 77 TYR C C 71 178.680 178.680 178.400 0.280 17610 10874 1 12 . 1 1 77 77 TYR CA C 71 58.785 58.785 59.206 -0.421 17610 10875 1 12 . 1 1 77 77 TYR CB C 71 36.986 36.986 37.959 -0.973 17610 10876 1 12 . 1 1 77 77 TYR H H 71 8.131 8.131 7.119 1.012 17610 10877 1 12 . 1 1 78 78 MET N N 72 119.987 119.987 116.901 3.086 17610 10878 1 12 . 1 1 78 78 MET HA H 72 4.402 4.402 4.535 -0.133 17610 10879 1 12 . 1 1 78 78 MET C C 72 177.008 177.008 177.700 -0.692 17610 10880 1 12 . 1 1 78 78 MET CA C 72 59.028 59.028 59.715 -0.687 17610 10881 1 12 . 1 1 78 78 MET CB C 72 32.709 32.709 32.361 0.348 17610 10882 1 12 . 1 1 78 78 MET H H 72 8.380 8.380 7.634 0.746 17610 10883 1 12 . 1 1 79 79 ARG N N 73 117.792 117.792 114.814 2.978 17610 10884 1 12 . 1 1 79 79 ARG HA H 73 3.914 3.914 4.268 -0.354 17610 10885 1 12 . 1 1 79 79 ARG C C 73 178.169 178.169 177.961 0.208 17610 10886 1 12 . 1 1 79 79 ARG CA C 73 59.493 59.493 57.749 1.744 17610 10887 1 12 . 1 1 79 79 ARG CB C 73 30.100 30.100 30.714 -0.614 17610 10888 1 12 . 1 1 79 79 ARG H H 73 7.992 7.992 7.701 0.291 17610 10889 1 12 . 1 1 80 80 THR N N 74 110.012 110.012 109.997 0.015 17610 10890 1 12 . 1 1 80 80 THR HA H 74 4.242 4.242 4.511 -0.269 17610 10891 1 12 . 1 1 80 80 THR C C 74 175.640 175.640 175.417 0.223 17610 10892 1 12 . 1 1 80 80 THR CA C 74 62.863 62.863 62.611 0.252 17610 10893 1 12 . 1 1 80 80 THR CB C 74 69.808 69.808 70.720 -0.912 17610 10894 1 12 . 1 1 80 80 THR H H 74 7.718 7.718 7.874 -0.156 17610 10895 1 12 . 1 1 81 81 GLY N N 75 109.297 109.297 109.941 -0.644 17610 10896 1 12 . 1 1 81 81 GLY C C 75 172.419 172.419 173.435 -1.016 17610 10897 1 12 . 1 1 81 81 GLY CA C 75 46.504 46.504 44.183 2.321 17610 10898 1 12 . 1 1 81 81 GLY H H 75 7.852 7.852 8.188 -0.336 17610 10899 1 12 . 1 1 82 82 GLU N N 76 122.399 122.399 120.868 1.531 17610 10900 1 12 . 1 1 82 82 GLU HA H 76 4.523 4.523 4.319 0.204 17610 10901 1 12 . 1 1 82 82 GLU C C 76 176.409 176.409 175.823 0.586 17610 10902 1 12 . 1 1 82 82 GLU CA C 76 56.469 56.469 57.471 -1.002 17610 10903 1 12 . 1 1 82 82 GLU CB C 76 32.049 32.049 30.896 1.153 17610 10904 1 12 . 1 1 82 82 GLU H H 76 8.879 8.879 7.894 0.985 17610 10905 1 12 . 1 1 83 83 GLY N N 77 102.282 102.282 105.646 -3.364 17610 10906 1 12 . 1 1 83 83 GLY C C 77 170.803 170.803 171.783 -0.980 17610 10907 1 12 . 1 1 83 83 GLY CA C 77 45.453 45.453 44.957 0.496 17610 10908 1 12 . 1 1 83 83 GLY H H 77 7.192 7.192 7.250 -0.058 17610 10909 1 12 . 1 1 84 84 PHE N N 78 122.648 122.648 116.218 6.430 17610 10910 1 12 . 1 1 84 84 PHE HA H 78 5.448 5.448 5.328 0.120 17610 10911 1 12 . 1 1 84 84 PHE C C 78 173.734 173.734 173.876 -0.142 17610 10912 1 12 . 1 1 84 84 PHE CA C 78 57.065 57.065 57.194 -0.129 17610 10913 1 12 . 1 1 84 84 PHE CB C 78 42.997 42.997 44.126 -1.129 17610 10914 1 12 . 1 1 84 84 PHE H H 78 8.224 8.224 8.223 0.001 17610 10915 1 12 . 1 1 85 85 LEU N N 79 127.298 127.298 122.291 5.007 17610 10916 1 12 . 1 1 85 85 LEU HA H 79 4.690 4.690 5.139 -0.449 17610 10917 1 12 . 1 1 85 85 LEU C C 79 174.690 174.690 175.037 -0.347 17610 10918 1 12 . 1 1 85 85 LEU CA C 79 53.981 53.981 54.087 -0.106 17610 10919 1 12 . 1 1 85 85 LEU CB C 79 43.058 43.058 46.160 -3.102 17610 10920 1 12 . 1 1 85 85 LEU H H 79 9.189 9.189 9.038 0.151 17610 10921 1 12 . 1 1 86 86 CYS N N 80 125.581 125.581 126.257 -0.676 17610 10922 1 12 . 1 1 86 86 CYS HA H 80 4.689 4.689 4.523 0.166 17610 10923 1 12 . 1 1 86 86 CYS C C 80 172.664 172.664 173.565 -0.901 17610 10924 1 12 . 1 1 86 86 CYS CA C 80 57.767 57.767 58.568 -0.801 17610 10925 1 12 . 1 1 86 86 CYS CB C 80 27.397 27.397 27.733 -0.336 17610 10926 1 12 . 1 1 86 86 CYS H H 80 8.720 8.720 9.406 -0.686 17610 10927 1 12 . 1 1 87 87 VAL N N 81 127.252 127.252 127.298 -0.046 17610 10928 1 12 . 1 1 87 87 VAL HA H 81 4.983 4.983 4.632 0.351 17610 10929 1 12 . 1 1 87 87 VAL C C 81 175.119 175.119 175.069 0.050 17610 10930 1 12 . 1 1 87 87 VAL CA C 81 61.275 61.275 62.046 -0.771 17610 10931 1 12 . 1 1 87 87 VAL CB C 81 33.407 33.407 31.991 1.417 17610 10932 1 12 . 1 1 87 87 VAL H H 81 9.028 9.028 8.021 1.007 17610 10933 1 12 . 1 1 88 88 PHE N N 82 125.157 125.157 127.890 -2.733 17610 10934 1 12 . 1 1 88 88 PHE HA H 82 4.992 4.992 5.242 -0.250 17610 10935 1 12 . 1 1 88 88 PHE C C 82 171.162 171.162 172.772 -1.610 17610 10936 1 12 . 1 1 88 88 PHE CA C 82 55.349 55.349 54.733 0.616 17610 10937 1 12 . 1 1 88 88 PHE CB C 82 40.430 40.430 43.131 -2.701 17610 10938 1 12 . 1 1 88 88 PHE H H 82 9.306 9.306 9.121 0.185 17610 10939 1 12 . 1 1 89 89 ALA N N 83 122.321 122.321 122.963 -0.642 17610 10940 1 12 . 1 1 89 89 ALA HA H 83 5.082 5.082 4.536 0.546 17610 10941 1 12 . 1 1 89 89 ALA C C 83 179.267 179.267 178.328 0.939 17610 10942 1 12 . 1 1 89 89 ALA CA C 83 49.635 49.635 48.931 0.704 17610 10943 1 12 . 1 1 89 89 ALA CB C 83 21.739 21.739 20.359 1.380 17610 10944 1 12 . 1 1 89 89 ALA H H 83 8.692 8.692 8.331 0.361 17610 10945 1 12 . 1 1 90 90 ILE N N 84 114.459 114.459 119.971 -5.512 17610 10946 1 12 . 1 1 90 90 ILE HA H 84 4.054 4.054 3.613 0.441 17610 10947 1 12 . 1 1 90 90 ILE C C 84 174.164 174.164 176.204 -2.040 17610 10948 1 12 . 1 1 90 90 ILE CA C 84 63.169 63.169 64.139 -0.970 17610 10949 1 12 . 1 1 90 90 ILE CB C 84 38.174 38.174 37.616 0.558 17610 10950 1 12 . 1 1 90 90 ILE H H 84 8.461 8.461 7.374 1.087 17610 10951 1 12 . 1 1 91 91 ASN N N 85 118.240 118.240 116.266 1.974 17610 10952 1 12 . 1 1 91 91 ASN HA H 85 5.049 5.049 4.568 0.481 17610 10953 1 12 . 1 1 91 91 ASN C C 85 174.583 174.583 174.579 0.004 17610 10954 1 12 . 1 1 91 91 ASN CA C 85 52.161 52.161 53.599 -1.438 17610 10955 1 12 . 1 1 91 91 ASN CB C 85 38.132 38.132 38.519 -0.387 17610 10956 1 12 . 1 1 91 91 ASN H H 85 7.906 7.906 8.522 -0.616 17610 10957 1 12 . 1 1 92 92 ASN N N 86 120.345 120.345 119.519 0.826 17610 10958 1 12 . 1 1 92 92 ASN HA H 86 5.080 5.080 5.068 0.012 17610 10959 1 12 . 1 1 92 92 ASN C C 86 175.090 175.090 174.885 0.205 17610 10960 1 12 . 1 1 92 92 ASN CA C 86 52.041 52.041 52.356 -0.315 17610 10961 1 12 . 1 1 92 92 ASN CB C 86 39.203 39.203 40.214 -1.011 17610 10962 1 12 . 1 1 92 92 ASN H H 86 7.931 7.931 7.635 0.296 17610 10963 1 12 . 1 1 93 93 THR N N 87 125.665 125.665 120.423 5.242 17610 10964 1 12 . 1 1 93 93 THR HA H 87 3.772 3.772 4.156 -0.384 17610 10965 1 12 . 1 1 93 93 THR C C 87 176.012 176.012 176.195 -0.183 17610 10966 1 12 . 1 1 93 93 THR CA C 87 66.753 66.753 66.950 -0.197 17610 10967 1 12 . 1 1 93 93 THR CB C 87 68.400 68.400 69.041 -0.641 17610 10968 1 12 . 1 1 93 93 THR H H 87 9.272 9.272 8.906 0.366 17610 10969 1 12 . 1 1 94 94 LYS N N 88 125.404 125.404 120.964 4.440 17610 10970 1 12 . 1 1 94 94 LYS HA H 88 4.186 4.186 4.128 0.058 17610 10971 1 12 . 1 1 94 94 LYS C C 88 178.027 178.027 178.825 -0.798 17610 10972 1 12 . 1 1 94 94 LYS CA C 88 59.359 59.359 60.049 -0.690 17610 10973 1 12 . 1 1 94 94 LYS CB C 88 31.292 31.292 32.092 -0.800 17610 10974 1 12 . 1 1 94 94 LYS H H 88 8.456 8.456 8.454 0.002 17610 10975 1 12 . 1 1 95 95 SER N N 89 115.491 115.491 115.522 -0.031 17610 10976 1 12 . 1 1 95 95 SER HA H 89 4.188 4.188 4.492 -0.304 17610 10977 1 12 . 1 1 95 95 SER C C 89 175.751 175.751 176.641 -0.890 17610 10978 1 12 . 1 1 95 95 SER CA C 89 61.751 61.751 61.493 0.258 17610 10979 1 12 . 1 1 95 95 SER CB C 89 63.530 63.530 62.505 1.025 17610 10980 1 12 . 1 1 95 95 SER H H 89 7.970 7.970 7.736 0.234 17610 10981 1 12 . 1 1 96 96 PHE N N 90 125.899 125.899 123.619 2.280 17610 10982 1 12 . 1 1 96 96 PHE HA H 90 4.037 4.037 4.253 -0.216 17610 10983 1 12 . 1 1 96 96 PHE C C 90 177.267 177.267 177.055 0.212 17610 10984 1 12 . 1 1 96 96 PHE CA C 90 59.688 59.688 60.758 -1.070 17610 10985 1 12 . 1 1 96 96 PHE CB C 90 40.175 40.175 39.058 1.117 17610 10986 1 12 . 1 1 96 96 PHE H H 90 7.419 7.419 7.916 -0.497 17610 10987 1 12 . 1 1 97 97 GLU N N 91 122.834 122.834 117.370 5.464 17610 10988 1 12 . 1 1 97 97 GLU HA H 91 3.787 3.787 3.757 0.030 17610 10989 1 12 . 1 1 97 97 GLU C C 91 179.628 179.628 178.505 1.123 17610 10990 1 12 . 1 1 97 97 GLU CA C 91 59.004 59.004 59.265 -0.261 17610 10991 1 12 . 1 1 97 97 GLU CB C 91 29.261 29.261 29.277 -0.017 17610 10992 1 12 . 1 1 97 97 GLU H H 91 8.449 8.449 7.723 0.726 17610 10993 1 12 . 1 1 98 98 ASP N N 92 118.617 118.617 120.877 -2.260 17610 10994 1 12 . 1 1 98 98 ASP HA H 92 4.553 4.553 4.743 -0.190 17610 10995 1 12 . 1 1 98 98 ASP C C 92 177.582 177.582 178.764 -1.182 17610 10996 1 12 . 1 1 98 98 ASP CA C 92 56.171 56.171 57.139 -0.968 17610 10997 1 12 . 1 1 98 98 ASP CB C 92 41.184 41.184 41.017 0.168 17610 10998 1 12 . 1 1 98 98 ASP H H 92 8.492 8.492 7.918 0.574 17610 10999 1 12 . 1 1 99 99 ILE N N 93 121.939 121.939 118.962 2.977 17610 11000 1 12 . 1 1 99 99 ILE HA H 93 3.954 3.954 4.032 -0.078 17610 11001 1 12 . 1 1 99 99 ILE C C 93 177.442 177.442 177.631 -0.189 17610 11002 1 12 . 1 1 99 99 ILE CA C 93 62.370 62.370 63.571 -1.201 17610 11003 1 12 . 1 1 99 99 ILE CB C 93 34.570 34.570 36.491 -1.921 17610 11004 1 12 . 1 1 99 99 ILE H H 93 7.583 7.583 8.476 -0.893 17610 11005 1 12 . 1 1 100 100 HIS N N 94 118.387 118.387 118.599 -0.212 17610 11006 1 12 . 1 1 100 100 HIS HA H 94 4.273 4.273 4.341 -0.068 17610 11007 1 12 . 1 1 100 100 HIS C C 94 177.345 177.345 177.662 -0.317 17610 11008 1 12 . 1 1 100 100 HIS CA C 94 60.090 60.090 59.359 0.731 17610 11009 1 12 . 1 1 100 100 HIS CB C 94 30.512 30.512 30.041 0.471 17610 11010 1 12 . 1 1 100 100 HIS H H 94 7.799 7.799 7.815 -0.016 17610 11011 1 12 . 1 1 101 101 GLN N N 95 117.673 117.673 118.885 -1.212 17610 11012 1 12 . 1 1 101 101 GLN HA H 95 3.941 3.941 3.986 -0.045 17610 11013 1 12 . 1 1 101 101 GLN C C 95 179.155 179.155 177.986 1.169 17610 11014 1 12 . 1 1 101 101 GLN CA C 95 58.371 58.371 58.584 -0.214 17610 11015 1 12 . 1 1 101 101 GLN CB C 95 27.807 27.807 28.085 -0.279 17610 11016 1 12 . 1 1 101 101 GLN H H 95 7.468 7.468 8.009 -0.541 17610 11017 1 12 . 1 1 102 102 TYR N N 96 120.407 120.407 119.944 0.463 17610 11018 1 12 . 1 1 102 102 TYR HA H 96 4.064 4.064 4.175 -0.111 17610 11019 1 12 . 1 1 102 102 TYR C C 96 177.660 177.660 177.792 -0.132 17610 11020 1 12 . 1 1 102 102 TYR CA C 96 62.847 62.847 61.511 1.336 17610 11021 1 12 . 1 1 102 102 TYR CB C 96 37.795 37.795 38.118 -0.323 17610 11022 1 12 . 1 1 102 102 TYR H H 96 7.600 7.600 8.330 -0.730 17610 11023 1 12 . 1 1 103 103 ARG N N 97 119.974 119.974 119.334 0.640 17610 11024 1 12 . 1 1 103 103 ARG HA H 97 3.616 3.616 3.936 -0.320 17610 11025 1 12 . 1 1 103 103 ARG C C 97 177.618 177.618 177.742 -0.124 17610 11026 1 12 . 1 1 103 103 ARG CA C 97 59.938 59.938 59.674 0.264 17610 11027 1 12 . 1 1 103 103 ARG CB C 97 28.599 28.599 29.948 -1.349 17610 11028 1 12 . 1 1 103 103 ARG H H 97 8.395 8.395 7.481 0.914 17610 11029 1 12 . 1 1 104 104 GLU N N 98 118.351 118.351 117.732 0.619 17610 11030 1 12 . 1 1 104 104 GLU HA H 98 3.781 3.781 3.865 -0.084 17610 11031 1 12 . 1 1 104 104 GLU C C 98 178.982 178.982 178.377 0.605 17610 11032 1 12 . 1 1 104 104 GLU CA C 98 58.900 58.900 59.871 -0.971 17610 11033 1 12 . 1 1 104 104 GLU CB C 98 29.435 29.435 28.579 0.856 17610 11034 1 12 . 1 1 104 104 GLU H H 98 7.970 7.970 8.630 -0.660 17610 11035 1 12 . 1 1 105 105 GLN N N 99 121.350 121.350 116.443 4.907 17610 11036 1 12 . 1 1 105 105 GLN HA H 99 3.946 3.946 4.146 -0.201 17610 11037 1 12 . 1 1 105 105 GLN C C 99 177.701 177.701 178.178 -0.477 17610 11038 1 12 . 1 1 105 105 GLN CA C 99 59.037 59.037 58.129 0.908 17610 11039 1 12 . 1 1 105 105 GLN CB C 99 27.938 27.938 28.346 -0.408 17610 11040 1 12 . 1 1 105 105 GLN H H 99 7.907 7.907 7.587 0.320 17610 11041 1 12 . 1 1 106 106 ILE N N 100 121.310 121.310 121.526 -0.216 17610 11042 1 12 . 1 1 106 106 ILE HA H 100 3.177 3.177 3.390 -0.213 17610 11043 1 12 . 1 1 106 106 ILE C C 100 177.199 177.199 177.928 -0.729 17610 11044 1 12 . 1 1 106 106 ILE CA C 100 65.682 65.682 64.667 1.015 17610 11045 1 12 . 1 1 106 106 ILE CB C 100 37.874 37.874 37.495 0.379 17610 11046 1 12 . 1 1 106 106 ILE H H 100 7.920 7.920 7.634 0.286 17610 11047 1 12 . 1 1 107 107 LYS N N 101 118.584 118.584 119.564 -0.980 17610 11048 1 12 . 1 1 107 107 LYS HA H 101 3.951 3.951 4.108 -0.157 17610 11049 1 12 . 1 1 107 107 LYS C C 101 179.476 179.476 179.327 0.149 17610 11050 1 12 . 1 1 107 107 LYS CA C 101 59.571 59.571 59.338 0.233 17610 11051 1 12 . 1 1 107 107 LYS CB C 101 32.227 32.227 31.938 0.289 17610 11052 1 12 . 1 1 107 107 LYS H H 101 7.782 7.782 8.052 -0.270 17610 11053 1 12 . 1 1 108 108 ARG N N 102 119.152 119.152 119.086 0.066 17610 11054 1 12 . 1 1 108 108 ARG HA H 102 4.082 4.082 3.931 0.151 17610 11055 1 12 . 1 1 108 108 ARG C C 102 179.582 179.582 178.659 0.923 17610 11056 1 12 . 1 1 108 108 ARG CA C 102 58.946 58.946 59.306 -0.360 17610 11057 1 12 . 1 1 108 108 ARG CB C 102 30.097 30.097 30.183 -0.086 17610 11058 1 12 . 1 1 108 108 ARG H H 102 7.777 7.777 7.365 0.412 17610 11059 1 12 . 1 1 109 109 VAL N N 103 119.544 119.544 119.351 0.193 17610 11060 1 12 . 1 1 109 109 VAL HA H 103 3.837 3.837 3.763 0.074 17610 11061 1 12 . 1 1 109 109 VAL C C 103 177.919 177.919 177.988 -0.069 17610 11062 1 12 . 1 1 109 109 VAL CA C 103 65.393 65.393 65.471 -0.078 17610 11063 1 12 . 1 1 109 109 VAL CB C 103 31.599 31.599 31.519 0.080 17610 11064 1 12 . 1 1 109 109 VAL H H 103 8.282 8.282 7.515 0.767 17610 11065 1 12 . 1 1 110 110 LYS N N 104 117.592 117.592 118.202 -0.610 17610 11066 1 12 . 1 1 110 110 LYS HA H 104 4.269 4.269 4.213 0.056 17610 11067 1 12 . 1 1 110 110 LYS C C 104 175.878 175.878 176.684 -0.806 17610 11068 1 12 . 1 1 110 110 LYS CA C 104 54.797 54.797 56.589 -1.792 17610 11069 1 12 . 1 1 110 110 LYS CB C 104 30.687 30.687 32.360 -1.673 17610 11070 1 12 . 1 1 110 110 LYS H H 104 8.117 8.117 8.479 -0.362 17610 11071 1 12 . 1 1 111 111 ASP N N 105 122.118 122.118 117.130 4.988 17610 11072 1 12 . 1 1 111 111 ASP HA H 105 4.306 4.306 4.348 -0.042 17610 11073 1 12 . 1 1 111 111 ASP C C 105 174.496 174.496 174.844 -0.348 17610 11074 1 12 . 1 1 111 111 ASP CA C 105 54.442 54.442 55.313 -0.871 17610 11075 1 12 . 1 1 111 111 ASP CB C 105 39.792 39.792 39.537 0.255 17610 11076 1 12 . 1 1 111 111 ASP H H 105 7.958 7.958 8.008 -0.050 17610 11077 1 12 . 1 1 112 112 SER N N 106 110.372 110.372 111.720 -1.348 17610 11078 1 12 . 1 1 112 112 SER HA H 106 4.565 4.565 4.618 -0.053 17610 11079 1 12 . 1 1 112 112 SER C C 106 172.985 172.985 173.576 -0.591 17610 11080 1 12 . 1 1 112 112 SER CA C 106 56.779 56.779 56.450 0.329 17610 11081 1 12 . 1 1 112 112 SER CB C 106 65.259 65.259 64.841 0.418 17610 11082 1 12 . 1 1 112 112 SER H H 106 7.539 7.539 7.563 -0.024 17610 11083 1 12 . 1 1 113 113 ASP N N 107 123.301 123.301 124.375 -1.074 17610 11084 1 12 . 1 1 113 113 ASP HA H 107 4.665 4.665 4.400 0.265 17610 11085 1 12 . 1 1 113 113 ASP C C 107 176.066 176.066 176.232 -0.166 17610 11086 1 12 . 1 1 113 113 ASP CA C 107 54.267 54.267 56.084 -1.817 17610 11087 1 12 . 1 1 113 113 ASP CB C 107 41.837 41.837 41.123 0.714 17610 11088 1 12 . 1 1 113 113 ASP H H 107 8.385 8.385 8.703 -0.318 17610 11089 1 12 . 1 1 114 114 ASP N N 108 122.347 122.347 120.919 1.428 17610 11090 1 12 . 1 1 114 114 ASP HA H 108 4.882 4.882 4.760 0.122 17610 11091 1 12 . 1 1 114 114 ASP C C 108 174.386 174.386 175.409 -1.023 17610 11092 1 12 . 1 1 114 114 ASP CA C 108 53.143 53.143 52.966 0.177 17610 11093 1 12 . 1 1 114 114 ASP CB C 108 41.323 41.323 40.066 1.257 17610 11094 1 12 . 1 1 114 114 ASP H H 108 8.404 8.404 7.958 0.446 17610 11095 1 12 . 1 1 115 115 VAL N N 109 123.609 123.609 119.695 3.914 17610 11096 1 12 . 1 1 115 115 VAL HA H 109 4.337 4.337 4.527 -0.190 17610 11097 1 12 . 1 1 115 115 VAL CA C 109 58.984 58.984 57.755 1.228 17610 11098 1 12 . 1 1 115 115 VAL CB C 109 34.932 34.932 32.851 2.081 17610 11099 1 12 . 1 1 115 115 VAL H H 109 7.649 7.649 7.455 0.194 17610 11100 1 12 . 1 1 116 116 PRO HA H 110 4.430 4.430 4.568 -0.138 17610 11101 1 12 . 1 1 116 116 PRO C C 110 175.942 175.942 176.051 -0.109 17610 11102 1 12 . 1 1 116 116 PRO CA C 110 63.872 63.872 62.868 1.004 17610 11103 1 12 . 1 1 116 116 PRO CB C 110 32.120 32.120 30.981 1.139 17610 11104 1 12 . 1 1 117 117 MET N N 111 124.020 124.020 120.444 3.576 17610 11105 1 12 . 1 1 117 117 MET HA H 111 5.777 5.777 5.513 0.264 17610 11106 1 12 . 1 1 117 117 MET C C 111 173.737 173.737 174.332 -0.595 17610 11107 1 12 . 1 1 117 117 MET CA C 111 55.094 55.094 54.744 0.350 17610 11108 1 12 . 1 1 117 117 MET CB C 111 37.889 37.889 37.296 0.593 17610 11109 1 12 . 1 1 117 117 MET H H 111 8.274 8.274 7.773 0.501 17610 11110 1 12 . 1 1 118 118 VAL N N 112 118.747 118.747 117.152 1.595 17610 11111 1 12 . 1 1 118 118 VAL HA H 112 4.341 4.341 4.504 -0.163 17610 11112 1 12 . 1 1 118 118 VAL C C 112 173.171 173.171 173.421 -0.250 17610 11113 1 12 . 1 1 118 118 VAL CA C 112 60.943 60.943 61.033 -0.090 17610 11114 1 12 . 1 1 118 118 VAL CB C 112 37.030 37.030 37.019 0.011 17610 11115 1 12 . 1 1 118 118 VAL H H 112 8.119 8.119 8.544 -0.425 17610 11116 1 12 . 1 1 119 119 LEU N N 113 129.931 129.931 127.393 2.538 17610 11117 1 12 . 1 1 119 119 LEU HA H 113 5.157 5.157 5.206 -0.049 17610 11118 1 12 . 1 1 119 119 LEU C C 113 173.496 173.496 174.867 -1.371 17610 11119 1 12 . 1 1 119 119 LEU CA C 113 53.828 53.828 53.264 0.564 17610 11120 1 12 . 1 1 119 119 LEU CB C 113 43.876 43.876 43.813 0.062 17610 11121 1 12 . 1 1 119 119 LEU H H 113 8.918 8.918 8.047 0.871 17610 11122 1 12 . 1 1 120 120 VAL N N 114 129.371 129.371 127.175 2.196 17610 11123 1 12 . 1 1 120 120 VAL HA H 114 5.117 5.117 4.963 0.154 17610 11124 1 12 . 1 1 120 120 VAL C C 114 173.667 173.667 175.293 -1.626 17610 11125 1 12 . 1 1 120 120 VAL CA C 114 60.124 60.124 59.933 0.191 17610 11126 1 12 . 1 1 120 120 VAL CB C 114 35.225 35.225 33.985 1.240 17610 11127 1 12 . 1 1 120 120 VAL H H 114 9.173 9.173 9.102 0.071 17610 11128 1 12 . 1 1 121 121 GLY N N 115 115.789 115.789 113.199 2.590 17610 11129 1 12 . 1 1 121 121 GLY C C 115 171.603 171.603 173.906 -2.303 17610 11130 1 12 . 1 1 121 121 GLY CA C 115 45.256 45.256 43.863 1.393 17610 11131 1 12 . 1 1 121 121 GLY H H 115 8.046 8.046 9.051 -1.005 17610 11132 1 12 . 1 1 122 122 ASN N N 116 122.349 122.349 123.475 -1.126 17610 11133 1 12 . 1 1 122 122 ASN HA H 116 5.620 5.620 4.597 1.023 17610 11134 1 12 . 1 1 122 122 ASN C C 116 174.732 174.732 174.982 -0.250 17610 11135 1 12 . 1 1 122 122 ASN CA C 116 51.492 51.492 52.836 -1.344 17610 11136 1 12 . 1 1 122 122 ASN CB C 116 41.323 41.323 40.107 1.216 17610 11137 1 12 . 1 1 122 122 ASN H H 116 8.756 8.756 7.857 0.899 17610 11138 1 12 . 1 1 123 123 LYS N N 117 113.297 113.297 115.600 -2.303 17610 11139 1 12 . 1 1 123 123 LYS HA H 117 4.280 4.280 3.967 0.313 17610 11140 1 12 . 1 1 123 123 LYS C C 117 177.324 177.324 175.401 1.923 17610 11141 1 12 . 1 1 123 123 LYS CA C 117 57.273 57.273 57.491 -0.218 17610 11142 1 12 . 1 1 123 123 LYS CB C 117 29.775 29.775 30.573 -0.798 17610 11143 1 12 . 1 1 123 123 LYS H H 117 7.342 7.342 8.804 -1.462 17610 11144 1 12 . 1 1 124 124 CYS N N 118 115.340 115.340 117.966 -2.626 17610 11145 1 12 . 1 1 124 124 CYS HA H 118 4.292 4.292 4.449 -0.157 17610 11146 1 12 . 1 1 124 124 CYS C C 118 173.325 173.325 174.512 -1.187 17610 11147 1 12 . 1 1 124 124 CYS CA C 118 60.698 60.698 58.877 1.821 17610 11148 1 12 . 1 1 124 124 CYS CB C 118 26.387 26.387 28.884 -2.497 17610 11149 1 12 . 1 1 124 124 CYS H H 118 8.763 8.763 8.802 -0.039 17610 11150 1 12 . 1 1 125 125 ASP N N 119 118.603 118.603 119.465 -0.862 17610 11151 1 12 . 1 1 125 125 ASP HA H 119 4.476 4.476 4.641 -0.165 17610 11152 1 12 . 1 1 125 125 ASP C C 119 175.464 175.464 176.692 -1.228 17610 11153 1 12 . 1 1 125 125 ASP CA C 119 53.951 53.951 54.675 -0.724 17610 11154 1 12 . 1 1 125 125 ASP CB C 119 41.323 41.323 40.587 0.736 17610 11155 1 12 . 1 1 125 125 ASP H H 119 8.613 8.613 8.369 0.244 17610 11156 1 12 . 1 1 126 126 LEU N N 120 122.098 122.098 119.803 2.295 17610 11157 1 12 . 1 1 126 126 LEU HA H 120 4.241 4.241 4.230 0.011 17610 11158 1 12 . 1 1 126 126 LEU C C 120 176.420 176.420 177.502 -1.082 17610 11159 1 12 . 1 1 126 126 LEU CA C 120 54.723 54.723 55.889 -1.165 17610 11160 1 12 . 1 1 126 126 LEU CB C 120 41.837 41.837 41.133 0.704 17610 11161 1 12 . 1 1 126 126 LEU H H 120 7.802 7.802 7.715 0.087 17610 11162 1 12 . 1 1 127 127 ALA N N 121 123.959 123.959 120.143 3.816 17610 11163 1 12 . 1 1 127 127 ALA HA H 121 4.214 4.214 3.969 0.245 17610 11164 1 12 . 1 1 127 127 ALA C C 121 178.717 178.717 176.602 2.115 17610 11165 1 12 . 1 1 127 127 ALA CA C 121 53.179 53.179 52.911 0.268 17610 11166 1 12 . 1 1 127 127 ALA CB C 121 18.871 18.871 17.566 1.305 17610 11167 1 12 . 1 1 127 127 ALA H H 121 8.160 8.160 8.184 -0.024 17610 11168 1 12 . 1 1 128 128 ALA N N 122 123.078 123.078 120.312 2.766 17610 11169 1 12 . 1 1 128 128 ALA HA H 122 4.524 4.524 4.438 0.086 17610 11170 1 12 . 1 1 128 128 ALA C C 122 175.272 175.272 176.259 -0.987 17610 11171 1 12 . 1 1 128 128 ALA CA C 122 51.259 51.259 51.722 -0.463 17610 11172 1 12 . 1 1 128 128 ALA CB C 122 17.623 17.623 19.327 -1.704 17610 11173 1 12 . 1 1 128 128 ALA H H 122 7.698 7.698 7.914 -0.216 17610 11174 1 12 . 1 1 129 129 ARG N N 123 121.454 121.454 119.620 1.834 17610 11175 1 12 . 1 1 129 129 ARG HA H 123 4.093 4.093 4.177 -0.084 17610 11176 1 12 . 1 1 129 129 ARG C C 123 176.271 176.271 175.541 0.730 17610 11177 1 12 . 1 1 129 129 ARG CA C 123 55.596 55.596 56.310 -0.714 17610 11178 1 12 . 1 1 129 129 ARG CB C 123 32.696 32.696 30.519 2.177 17610 11179 1 12 . 1 1 129 129 ARG H H 123 7.992 7.992 7.934 0.058 17610 11180 1 12 . 1 1 130 130 THR N N 124 115.617 115.617 111.167 4.450 17610 11181 1 12 . 1 1 130 130 THR HA H 124 4.564 4.564 4.469 0.095 17610 11182 1 12 . 1 1 130 130 THR C C 124 174.119 174.119 175.024 -0.905 17610 11183 1 12 . 1 1 130 130 THR CA C 124 61.746 61.746 62.477 -0.732 17610 11184 1 12 . 1 1 130 130 THR CB C 124 69.094 69.094 70.857 -1.763 17610 11185 1 12 . 1 1 130 130 THR H H 124 9.145 9.145 8.854 0.291 17610 11186 1 12 . 1 1 131 131 VAL N N 125 125.688 125.688 125.886 -0.198 17610 11187 1 12 . 1 1 131 131 VAL HA H 125 4.015 4.015 4.078 -0.063 17610 11188 1 12 . 1 1 131 131 VAL C C 125 175.658 175.658 175.335 0.323 17610 11189 1 12 . 1 1 131 131 VAL CA C 125 61.373 61.373 61.995 -0.622 17610 11190 1 12 . 1 1 131 131 VAL CB C 125 33.147 33.147 30.925 2.222 17610 11191 1 12 . 1 1 131 131 VAL H H 125 7.618 7.618 8.178 -0.560 17610 11192 1 12 . 1 1 132 132 GLU N N 126 128.319 128.319 127.335 0.984 17610 11193 1 12 . 1 1 132 132 GLU HA H 126 4.228 4.228 4.212 0.016 17610 11194 1 12 . 1 1 132 132 GLU C C 126 177.986 177.986 177.217 0.769 17610 11195 1 12 . 1 1 132 132 GLU CA C 126 56.323 56.323 56.488 -0.165 17610 11196 1 12 . 1 1 132 132 GLU CB C 126 30.158 30.158 30.071 0.087 17610 11197 1 12 . 1 1 132 132 GLU H H 126 8.727 8.727 8.157 0.570 17610 11198 1 12 . 1 1 133 133 SER N N 127 122.970 122.970 117.625 5.345 17610 11199 1 12 . 1 1 133 133 SER HA H 127 4.074 4.074 4.114 -0.040 17610 11200 1 12 . 1 1 133 133 SER C C 127 176.633 176.633 176.648 -0.015 17610 11201 1 12 . 1 1 133 133 SER CA C 127 62.598 62.598 61.965 0.632 17610 11202 1 12 . 1 1 133 133 SER CB C 127 62.511 62.511 63.018 -0.507 17610 11203 1 12 . 1 1 133 133 SER H H 127 9.421 9.421 8.687 0.734 17610 11204 1 12 . 1 1 134 134 ARG N N 128 119.141 119.141 121.043 -1.902 17610 11205 1 12 . 1 1 134 134 ARG HA H 128 4.028 4.028 3.995 0.033 17610 11206 1 12 . 1 1 134 134 ARG C C 128 177.739 177.739 178.246 -0.507 17610 11207 1 12 . 1 1 134 134 ARG CA C 128 58.785 58.785 59.217 -0.432 17610 11208 1 12 . 1 1 134 134 ARG CB C 128 29.752 29.752 29.879 -0.127 17610 11209 1 12 . 1 1 134 134 ARG H H 128 8.675 8.675 8.362 0.313 17610 11210 1 12 . 1 1 135 135 GLN N N 129 118.050 118.050 117.566 0.484 17610 11211 1 12 . 1 1 135 135 GLN HA H 129 4.091 4.091 3.934 0.157 17610 11212 1 12 . 1 1 135 135 GLN C C 129 179.009 179.009 177.632 1.377 17610 11213 1 12 . 1 1 135 135 GLN CA C 129 58.389 58.389 58.947 -0.558 17610 11214 1 12 . 1 1 135 135 GLN CB C 129 28.916 28.916 28.257 0.659 17610 11215 1 12 . 1 1 135 135 GLN H H 129 6.796 6.796 8.464 -1.668 17610 11216 1 12 . 1 1 136 136 ALA N N 130 124.769 124.769 120.396 4.373 17610 11217 1 12 . 1 1 136 136 ALA HA H 130 3.933 3.933 2.980 0.953 17610 11218 1 12 . 1 1 136 136 ALA C C 130 178.155 178.155 179.419 -1.264 17610 11219 1 12 . 1 1 136 136 ALA CA C 130 54.760 54.760 54.031 0.729 17610 11220 1 12 . 1 1 136 136 ALA CB C 130 18.546 18.546 17.420 1.126 17610 11221 1 12 . 1 1 136 136 ALA H H 130 7.017 7.017 7.218 -0.201 17610 11222 1 12 . 1 1 137 137 GLN N N 131 119.215 119.215 117.680 1.535 17610 11223 1 12 . 1 1 137 137 GLN HA H 131 3.720 3.720 3.712 0.008 17610 11224 1 12 . 1 1 137 137 GLN C C 131 179.387 179.387 177.659 1.728 17610 11225 1 12 . 1 1 137 137 GLN CA C 131 58.815 58.815 59.162 -0.347 17610 11226 1 12 . 1 1 137 137 GLN CB C 131 28.503 28.503 28.475 0.028 17610 11227 1 12 . 1 1 137 137 GLN H H 131 8.602 8.602 7.927 0.675 17610 11228 1 12 . 1 1 138 138 ASP N N 132 121.298 121.298 121.103 0.195 17610 11229 1 12 . 1 1 138 138 ASP HA H 132 4.371 4.371 4.315 0.056 17610 11230 1 12 . 1 1 138 138 ASP C C 132 178.855 178.855 178.430 0.425 17610 11231 1 12 . 1 1 138 138 ASP CA C 132 57.425 57.425 57.667 -0.242 17610 11232 1 12 . 1 1 138 138 ASP CB C 132 40.860 40.860 40.899 -0.039 17610 11233 1 12 . 1 1 138 138 ASP H H 132 8.203 8.203 7.883 0.320 17610 11234 1 12 . 1 1 139 139 LEU N N 133 124.786 124.786 120.812 3.974 17610 11235 1 12 . 1 1 139 139 LEU HA H 133 3.888 3.888 3.982 -0.094 17610 11236 1 12 . 1 1 139 139 LEU C C 133 178.953 178.953 177.949 1.004 17610 11237 1 12 . 1 1 139 139 LEU CA C 133 57.827 57.827 57.684 0.143 17610 11238 1 12 . 1 1 139 139 LEU CB C 133 41.837 41.837 41.571 0.266 17610 11239 1 12 . 1 1 139 139 LEU H H 133 7.485 7.485 7.396 0.089 17610 11240 1 12 . 1 1 140 140 ALA N N 134 123.038 123.038 121.626 1.412 17610 11241 1 12 . 1 1 140 140 ALA HA H 134 3.783 3.783 3.852 -0.069 17610 11242 1 12 . 1 1 140 140 ALA C C 134 179.902 179.902 179.324 0.578 17610 11243 1 12 . 1 1 140 140 ALA CA C 134 55.832 55.832 55.468 0.364 17610 11244 1 12 . 1 1 140 140 ALA CB C 134 18.120 18.120 18.175 -0.055 17610 11245 1 12 . 1 1 140 140 ALA H H 134 8.426 8.426 7.447 0.979 17610 11246 1 12 . 1 1 141 141 ARG N N 135 119.537 119.537 118.790 0.747 17610 11247 1 12 . 1 1 141 141 ARG HA H 135 4.194 4.194 3.981 0.213 17610 11248 1 12 . 1 1 141 141 ARG C C 135 180.037 180.037 178.612 1.425 17610 11249 1 12 . 1 1 141 141 ARG CA C 135 59.331 59.331 59.286 0.045 17610 11250 1 12 . 1 1 141 141 ARG CB C 135 29.864 29.864 29.710 0.154 17610 11251 1 12 . 1 1 141 141 ARG H H 135 8.459 8.459 8.610 -0.151 17610 11252 1 12 . 1 1 142 142 SER N N 136 118.958 118.958 113.462 5.496 17610 11253 1 12 . 1 1 142 142 SER HA H 136 4.277 4.277 4.322 -0.045 17610 11254 1 12 . 1 1 142 142 SER C C 136 176.127 176.127 176.640 -0.513 17610 11255 1 12 . 1 1 142 142 SER CA C 136 61.509 61.509 60.669 0.840 17610 11256 1 12 . 1 1 142 142 SER CB C 136 62.529 62.529 63.322 -0.793 17610 11257 1 12 . 1 1 142 142 SER H H 136 7.944 7.944 7.633 0.311 17610 11258 1 12 . 1 1 143 143 TYR N N 137 121.309 121.309 119.100 2.209 17610 11259 1 12 . 1 1 143 143 TYR HA H 137 4.907 4.907 4.397 0.510 17610 11260 1 12 . 1 1 143 143 TYR C C 137 176.279 176.279 177.116 -0.837 17610 11261 1 12 . 1 1 143 143 TYR CA C 137 54.737 54.737 57.523 -2.786 17610 11262 1 12 . 1 1 143 143 TYR CB C 137 38.830 38.830 39.258 -0.427 17610 11263 1 12 . 1 1 143 143 TYR H H 137 7.623 7.623 8.203 -0.580 17610 11264 1 12 . 1 1 144 144 GLY N N 138 112.193 112.193 107.090 5.103 17610 11265 1 12 . 1 1 144 144 GLY C C 138 175.077 175.077 174.390 0.687 17610 11266 1 12 . 1 1 144 144 GLY CA C 138 46.439 46.439 45.524 0.915 17610 11267 1 12 . 1 1 144 144 GLY H H 138 8.328 8.328 8.250 0.078 17610 11268 1 12 . 1 1 145 145 ILE N N 139 114.227 114.227 116.666 -2.439 17610 11269 1 12 . 1 1 145 145 ILE HA H 139 5.241 5.241 4.719 0.522 17610 11270 1 12 . 1 1 145 145 ILE CA C 139 58.420 58.420 57.925 0.495 17610 11271 1 12 . 1 1 145 145 ILE CB C 139 38.543 38.543 38.994 -0.451 17610 11272 1 12 . 1 1 145 145 ILE H H 139 8.059 8.059 7.562 0.497 17610 11273 1 12 . 1 1 146 146 PRO HA H 140 4.627 4.627 4.469 0.158 17610 11274 1 12 . 1 1 146 146 PRO C C 140 174.570 174.570 175.280 -0.710 17610 11275 1 12 . 1 1 146 146 PRO CA C 140 62.362 62.362 62.398 -0.036 17610 11276 1 12 . 1 1 146 146 PRO CB C 140 33.057 33.057 32.628 0.429 17610 11277 1 12 . 1 1 147 147 TYR N N 141 121.135 121.135 120.461 0.674 17610 11278 1 12 . 1 1 147 147 TYR HA H 141 5.997 5.997 5.326 0.671 17610 11279 1 12 . 1 1 147 147 TYR C C 141 174.492 174.492 174.491 0.001 17610 11280 1 12 . 1 1 147 147 TYR CA C 141 54.912 54.912 56.517 -1.605 17610 11281 1 12 . 1 1 147 147 TYR CB C 141 40.972 40.972 40.054 0.918 17610 11282 1 12 . 1 1 147 147 TYR H H 141 8.252 8.252 8.336 -0.084 17610 11283 1 12 . 1 1 148 148 ILE N N 142 131.362 131.362 128.553 2.809 17610 11284 1 12 . 1 1 148 148 ILE HA H 142 3.948 3.948 4.227 -0.279 17610 11285 1 12 . 1 1 148 148 ILE C C 142 172.977 172.977 174.342 -1.365 17610 11286 1 12 . 1 1 148 148 ILE CA C 142 59.383 59.383 59.831 -0.448 17610 11287 1 12 . 1 1 148 148 ILE CB C 142 42.260 42.260 41.011 1.249 17610 11288 1 12 . 1 1 148 148 ILE H H 142 8.495 8.495 8.403 0.092 17610 11289 1 12 . 1 1 149 149 GLU N N 143 125.874 125.874 123.581 2.293 17610 11290 1 12 . 1 1 149 149 GLU HA H 143 4.788 4.788 4.627 0.161 17610 11291 1 12 . 1 1 149 149 GLU C C 143 176.128 176.128 175.317 0.811 17610 11292 1 12 . 1 1 149 149 GLU CA C 143 55.647 55.647 55.016 0.631 17610 11293 1 12 . 1 1 149 149 GLU CB C 143 29.727 29.727 31.647 -1.920 17610 11294 1 12 . 1 1 149 149 GLU H H 143 7.827 7.827 8.497 -0.670 17610 11295 1 12 . 1 1 150 150 THR N N 144 113.629 113.629 113.345 0.284 17610 11296 1 12 . 1 1 150 150 THR HA H 144 5.081 5.081 5.324 -0.243 17610 11297 1 12 . 1 1 150 150 THR C C 144 176.136 176.136 173.229 2.907 17610 11298 1 12 . 1 1 150 150 THR CA C 144 59.464 59.464 59.450 0.014 17610 11299 1 12 . 1 1 150 150 THR CB C 144 73.639 73.639 71.462 2.177 17610 11300 1 12 . 1 1 150 150 THR H H 144 8.800 8.800 8.157 0.643 17610 11301 1 12 . 1 1 151 151 SER N N 145 113.706 113.706 114.012 -0.306 17610 11302 1 12 . 1 1 151 151 SER HA H 145 4.883 4.883 5.039 -0.156 17610 11303 1 12 . 1 1 151 151 SER C C 145 175.707 175.707 173.624 2.083 17610 11304 1 12 . 1 1 151 151 SER CA C 145 57.438 57.438 57.240 0.198 17610 11305 1 12 . 1 1 151 151 SER CB C 145 64.470 64.470 65.948 -1.478 17610 11306 1 12 . 1 1 151 151 SER H H 145 8.807 8.807 8.078 0.729 17610 11307 1 12 . 1 1 152 152 ALA N N 146 133.500 133.500 127.554 5.946 17610 11308 1 12 . 1 1 152 152 ALA HA H 146 3.890 3.890 4.084 -0.194 17610 11309 1 12 . 1 1 152 152 ALA C C 146 175.632 175.632 177.799 -2.167 17610 11310 1 12 . 1 1 152 152 ALA CA C 146 54.416 54.416 54.931 -0.515 17610 11311 1 12 . 1 1 152 152 ALA CB C 146 18.605 18.605 18.625 -0.020 17610 11312 1 12 . 1 1 152 152 ALA H H 146 9.134 9.134 8.144 0.990 17610 11313 1 12 . 1 1 153 153 LYS N N 147 117.223 117.223 117.520 -0.297 17610 11314 1 12 . 1 1 153 153 LYS HA H 147 2.616 2.616 4.415 -1.799 17610 11315 1 12 . 1 1 153 153 LYS C C 147 177.045 177.045 177.592 -0.547 17610 11316 1 12 . 1 1 153 153 LYS CA C 147 58.119 58.119 58.841 -0.722 17610 11317 1 12 . 1 1 153 153 LYS CB C 147 33.956 33.956 32.142 1.814 17610 11318 1 12 . 1 1 153 153 LYS H H 147 7.042 7.042 8.309 -1.267 17610 11319 1 12 . 1 1 154 154 THR N N 148 107.404 107.404 108.489 -1.085 17610 11320 1 12 . 1 1 154 154 THR HA H 148 4.157 4.157 4.226 -0.069 17610 11321 1 12 . 1 1 154 154 THR C C 148 175.979 175.979 174.230 1.749 17610 11322 1 12 . 1 1 154 154 THR CA C 148 61.489 61.489 63.127 -1.638 17610 11323 1 12 . 1 1 154 154 THR CB C 148 69.911 69.911 69.222 0.689 17610 11324 1 12 . 1 1 154 154 THR H H 148 7.721 7.721 7.869 -0.148 17610 11325 1 12 . 1 1 155 155 ARG N N 149 119.268 119.268 119.150 0.118 17610 11326 1 12 . 1 1 155 155 ARG HA H 149 3.476 3.476 4.029 -0.553 17610 11327 1 12 . 1 1 155 155 ARG C C 149 175.481 175.481 174.448 1.033 17610 11328 1 12 . 1 1 155 155 ARG CA C 149 59.653 59.653 56.948 2.705 17610 11329 1 12 . 1 1 155 155 ARG CB C 149 30.445 30.445 27.366 3.079 17610 11330 1 12 . 1 1 155 155 ARG H H 149 7.814 7.814 8.120 -0.306 17610 11331 1 12 . 1 1 156 156 GLN N N 150 125.391 125.391 120.558 4.833 17610 11332 1 12 . 1 1 156 156 GLN HA H 150 4.065 4.065 4.483 -0.418 17610 11333 1 12 . 1 1 156 156 GLN C C 150 177.007 177.007 175.984 1.023 17610 11334 1 12 . 1 1 156 156 GLN CA C 150 57.433 57.433 54.882 2.551 17610 11335 1 12 . 1 1 156 156 GLN CB C 150 28.472 28.472 31.097 -2.625 17610 11336 1 12 . 1 1 156 156 GLN H H 150 7.833 7.833 7.628 0.205 17610 11337 1 12 . 1 1 157 157 GLY N N 151 116.380 116.380 114.037 2.343 17610 11338 1 12 . 1 1 157 157 GLY C C 151 173.581 173.581 174.867 -1.286 17610 11339 1 12 . 1 1 157 157 GLY CA C 151 46.945 46.945 46.562 0.383 17610 11340 1 12 . 1 1 157 157 GLY H H 151 8.936 8.936 9.007 -0.071 17610 11341 1 12 . 1 1 158 158 VAL N N 152 121.822 121.822 119.330 2.492 17610 11342 1 12 . 1 1 158 158 VAL HA H 152 3.221 3.221 3.564 -0.343 17610 11343 1 12 . 1 1 158 158 VAL C C 152 177.006 177.006 177.859 -0.853 17610 11344 1 12 . 1 1 158 158 VAL CA C 152 68.314 68.314 65.488 2.826 17610 11345 1 12 . 1 1 158 158 VAL CB C 152 31.473 31.473 31.723 -0.250 17610 11346 1 12 . 1 1 158 158 VAL H H 152 7.099 7.099 7.986 -0.887 17610 11347 1 12 . 1 1 159 159 GLU N N 153 118.087 118.087 118.202 -0.115 17610 11348 1 12 . 1 1 159 159 GLU HA H 153 3.305 3.305 4.001 -0.696 17610 11349 1 12 . 1 1 159 159 GLU C C 153 177.163 177.163 178.363 -1.200 17610 11350 1 12 . 1 1 159 159 GLU CA C 153 60.407 60.407 59.461 0.946 17610 11351 1 12 . 1 1 159 159 GLU CB C 153 28.787 28.787 28.712 0.075 17610 11352 1 12 . 1 1 159 159 GLU H H 153 8.271 8.271 8.740 -0.469 17610 11353 1 12 . 1 1 160 160 ASP N N 154 117.624 117.624 119.598 -1.974 17610 11354 1 12 . 1 1 160 160 ASP HA H 154 4.205 4.205 4.588 -0.383 17610 11355 1 12 . 1 1 160 160 ASP C C 154 179.366 179.366 177.890 1.476 17610 11356 1 12 . 1 1 160 160 ASP CA C 154 57.288 57.288 57.208 0.080 17610 11357 1 12 . 1 1 160 160 ASP CB C 154 40.040 40.040 39.864 0.176 17610 11358 1 12 . 1 1 160 160 ASP H H 154 8.145 8.145 8.670 -0.525 17610 11359 1 12 . 1 1 161 161 ALA N N 155 125.270 125.270 121.904 3.366 17610 11360 1 12 . 1 1 161 161 ALA HA H 155 3.749 3.749 4.050 -0.301 17610 11361 1 12 . 1 1 161 161 ALA C C 155 177.684 177.684 179.219 -1.535 17610 11362 1 12 . 1 1 161 161 ALA CA C 155 56.295 56.295 54.495 1.800 17610 11363 1 12 . 1 1 161 161 ALA CB C 155 17.397 17.397 18.355 -0.958 17610 11364 1 12 . 1 1 161 161 ALA H H 155 8.603 8.603 7.294 1.309 17610 11365 1 12 . 1 1 162 162 PHE N N 156 113.772 113.772 118.134 -4.362 17610 11366 1 12 . 1 1 162 162 PHE HA H 156 3.912 3.912 4.157 -0.245 17610 11367 1 12 . 1 1 162 162 PHE C C 156 177.975 177.975 178.223 -0.248 17610 11368 1 12 . 1 1 162 162 PHE CA C 156 62.851 62.851 61.470 1.381 17610 11369 1 12 . 1 1 162 162 PHE CB C 156 39.472 39.472 38.690 0.782 17610 11370 1 12 . 1 1 162 162 PHE H H 156 7.236 7.236 7.292 -0.056 17610 11371 1 12 . 1 1 163 163 TYR N N 157 120.499 120.499 117.882 2.617 17610 11372 1 12 . 1 1 163 163 TYR HA H 157 4.355 4.355 4.191 0.164 17610 11373 1 12 . 1 1 163 163 TYR C C 157 179.097 179.097 178.015 1.082 17610 11374 1 12 . 1 1 163 163 TYR CA C 157 58.309 58.309 60.540 -2.231 17610 11375 1 12 . 1 1 163 163 TYR CB C 157 35.012 35.012 36.894 -1.882 17610 11376 1 12 . 1 1 163 163 TYR H H 157 9.573 9.573 8.654 0.919 17610 11377 1 12 . 1 1 164 164 THR N N 158 118.206 118.206 116.101 2.105 17610 11378 1 12 . 1 1 164 164 THR HA H 158 3.903 3.903 3.987 -0.084 17610 11379 1 12 . 1 1 164 164 THR C C 158 175.656 175.656 176.324 -0.668 17610 11380 1 12 . 1 1 164 164 THR CA C 158 67.484 67.484 66.127 1.357 17610 11381 1 12 . 1 1 164 164 THR CB C 158 67.819 67.819 68.305 -0.485 17610 11382 1 12 . 1 1 164 164 THR H H 158 8.538 8.538 7.702 0.836 17610 11383 1 12 . 1 1 165 165 LEU N N 159 122.864 122.864 122.460 0.404 17610 11384 1 12 . 1 1 165 165 LEU HA H 159 3.871 3.871 4.109 -0.238 17610 11385 1 12 . 1 1 165 165 LEU C C 159 177.513 177.513 177.585 -0.072 17610 11386 1 12 . 1 1 165 165 LEU CA C 159 57.991 57.991 58.010 -0.019 17610 11387 1 12 . 1 1 165 165 LEU CB C 159 40.181 40.181 41.398 -1.217 17610 11388 1 12 . 1 1 165 165 LEU H H 159 7.232 7.232 7.718 -0.486 17610 11389 1 12 . 1 1 166 166 VAL N N 160 120.322 120.322 119.123 1.199 17610 11390 1 12 . 1 1 166 166 VAL HA H 160 3.045 3.045 3.307 -0.262 17610 11391 1 12 . 1 1 166 166 VAL C C 160 177.474 177.474 177.959 -0.485 17610 11392 1 12 . 1 1 166 166 VAL CA C 160 67.389 67.389 67.405 -0.016 17610 11393 1 12 . 1 1 166 166 VAL CB C 160 30.944 30.944 31.143 -0.199 17610 11394 1 12 . 1 1 166 166 VAL H H 160 7.517 7.517 7.507 0.010 17610 11395 1 12 . 1 1 167 167 ARG N N 161 120.151 120.151 117.703 2.448 17610 11396 1 12 . 1 1 167 167 ARG HA H 161 3.772 3.772 3.960 -0.188 17610 11397 1 12 . 1 1 167 167 ARG C C 161 179.030 179.030 178.604 0.426 17610 11398 1 12 . 1 1 167 167 ARG CA C 161 60.935 60.935 59.932 1.003 17610 11399 1 12 . 1 1 167 167 ARG CB C 161 29.586 29.586 29.910 -0.324 17610 11400 1 12 . 1 1 167 167 ARG H H 161 8.044 8.044 7.513 0.531 17610 11401 1 12 . 1 1 168 168 GLU N N 162 119.201 119.201 120.158 -0.957 17610 11402 1 12 . 1 1 168 168 GLU HA H 162 4.050 4.050 4.156 -0.106 17610 11403 1 12 . 1 1 168 168 GLU C C 162 179.805 179.805 178.988 0.817 17610 11404 1 12 . 1 1 168 168 GLU CA C 162 58.867 58.867 59.158 -0.291 17610 11405 1 12 . 1 1 168 168 GLU CB C 162 30.330 30.330 29.299 1.031 17610 11406 1 12 . 1 1 168 168 GLU H H 162 8.171 8.171 7.302 0.869 17610 11407 1 12 . 1 1 169 169 ILE N N 163 123.244 123.244 119.815 3.429 17610 11408 1 12 . 1 1 169 169 ILE HA H 163 3.583 3.583 3.674 -0.091 17610 11409 1 12 . 1 1 169 169 ILE C C 163 178.906 178.906 178.997 -0.091 17610 11410 1 12 . 1 1 169 169 ILE CA C 163 66.023 66.023 65.520 0.503 17610 11411 1 12 . 1 1 169 169 ILE CB C 163 38.204 38.204 37.611 0.592 17610 11412 1 12 . 1 1 169 169 ILE H H 163 8.174 8.174 8.663 -0.489 17610 11413 1 12 . 1 1 170 170 ARG N N 164 119.842 119.842 119.090 0.752 17610 11414 1 12 . 1 1 170 170 ARG HA H 164 4.140 4.140 4.064 0.076 17610 11415 1 12 . 1 1 170 170 ARG C C 164 177.532 177.532 178.361 -0.829 17610 11416 1 12 . 1 1 170 170 ARG CA C 164 58.944 58.944 59.154 -0.210 17610 11417 1 12 . 1 1 170 170 ARG CB C 164 31.206 31.206 30.020 1.186 17610 11418 1 12 . 1 1 170 170 ARG H H 164 8.405 8.405 7.885 0.520 17610 11419 1 12 . 1 1 171 171 GLN N N 165 116.762 116.762 115.626 1.136 17610 11420 1 12 . 1 1 171 171 GLN HA H 165 4.343 4.343 4.139 0.204 17610 11421 1 12 . 1 1 171 171 GLN C C 165 175.218 175.218 176.341 -1.123 17610 11422 1 12 . 1 1 171 171 GLN CA C 165 56.100 56.100 57.653 -1.553 17610 11423 1 12 . 1 1 171 171 GLN CB C 165 29.236 29.236 29.313 -0.077 17610 11424 1 12 . 1 1 171 171 GLN H H 165 7.646 7.646 7.718 -0.072 17610 11425 1 13 . 1 1 8 8 THR N N 2 124.188 124.188 121.024 3.164 17610 11426 1 13 . 1 1 8 8 THR HA H 2 3.983 3.983 4.379 -0.396 17610 11427 1 13 . 1 1 8 8 THR C C 2 171.971 171.971 172.918 -0.947 17610 11428 1 13 . 1 1 8 8 THR CA C 2 63.551 63.551 61.827 1.724 17610 11429 1 13 . 1 1 8 8 THR CB C 2 69.619 69.619 70.038 -0.419 17610 11430 1 13 . 1 1 8 8 THR H H 2 8.667 8.667 8.467 0.200 17610 11431 1 13 . 1 1 9 9 GLU N N 3 127.895 127.895 124.347 3.548 17610 11432 1 13 . 1 1 9 9 GLU HA H 3 5.280 5.280 4.350 0.930 17610 11433 1 13 . 1 1 9 9 GLU C C 3 175.089 175.089 174.935 0.154 17610 11434 1 13 . 1 1 9 9 GLU CA C 3 53.636 53.636 55.980 -2.344 17610 11435 1 13 . 1 1 9 9 GLU CB C 3 32.029 32.029 31.067 0.962 17610 11436 1 13 . 1 1 9 9 GLU H H 3 8.316 8.316 8.462 -0.146 17610 11437 1 13 . 1 1 10 10 TYR N N 4 123.375 123.375 126.229 -2.854 17610 11438 1 13 . 1 1 10 10 TYR HA H 4 5.131 5.131 4.607 0.524 17610 11439 1 13 . 1 1 10 10 TYR C C 4 174.621 174.621 174.718 -0.097 17610 11440 1 13 . 1 1 10 10 TYR CA C 4 56.649 56.649 56.577 0.072 17610 11441 1 13 . 1 1 10 10 TYR CB C 4 41.323 41.323 39.596 1.727 17610 11442 1 13 . 1 1 10 10 TYR H H 4 8.739 8.739 8.730 0.009 17610 11443 1 13 . 1 1 11 11 LYS N N 5 125.147 125.147 126.553 -1.406 17610 11444 1 13 . 1 1 11 11 LYS HA H 5 5.168 5.168 4.670 0.498 17610 11445 1 13 . 1 1 11 11 LYS C C 5 175.291 175.291 175.084 0.207 17610 11446 1 13 . 1 1 11 11 LYS CA C 5 55.145 55.145 55.481 -0.336 17610 11447 1 13 . 1 1 11 11 LYS CB C 5 32.225 32.225 32.127 0.098 17610 11448 1 13 . 1 1 11 11 LYS H H 5 9.142 9.142 8.824 0.318 17610 11449 1 13 . 1 1 12 12 LEU N N 6 127.306 127.306 126.242 1.064 17610 11450 1 13 . 1 1 12 12 LEU HA H 6 4.970 4.970 4.354 0.616 17610 11451 1 13 . 1 1 12 12 LEU C C 6 175.298 175.298 175.876 -0.578 17610 11452 1 13 . 1 1 12 12 LEU CA C 6 52.743 52.743 54.093 -1.350 17610 11453 1 13 . 1 1 12 12 LEU CB C 6 43.063 43.063 41.861 1.202 17610 11454 1 13 . 1 1 12 12 LEU H H 6 9.150 9.150 8.195 0.955 17610 11455 1 13 . 1 1 13 13 VAL N N 7 123.170 123.170 125.802 -2.632 17610 11456 1 13 . 1 1 13 13 VAL HA H 7 4.827 4.827 4.380 0.447 17610 11457 1 13 . 1 1 13 13 VAL C C 7 174.230 174.230 175.299 -1.069 17610 11458 1 13 . 1 1 13 13 VAL CB C 7 34.048 34.048 32.400 1.648 17610 11459 1 13 . 1 1 13 13 VAL H H 7 8.113 8.113 8.824 -0.711 17610 11460 1 13 . 1 1 14 14 VAL N N 8 129.854 129.854 127.815 2.039 17610 11461 1 13 . 1 1 14 14 VAL HA H 8 4.669 4.669 4.622 0.047 17610 11462 1 13 . 1 1 14 14 VAL C C 8 175.377 175.377 175.969 -0.592 17610 11463 1 13 . 1 1 14 14 VAL CA C 8 61.935 61.935 60.611 1.324 17610 11464 1 13 . 1 1 14 14 VAL CB C 8 32.496 32.496 32.188 0.308 17610 11465 1 13 . 1 1 14 14 VAL H H 8 8.707 8.707 8.810 -0.103 17610 11466 1 13 . 1 1 15 15 VAL N N 9 121.835 121.835 122.667 -0.832 17610 11467 1 13 . 1 1 15 15 VAL HA H 9 4.616 4.616 4.499 0.117 17610 11468 1 13 . 1 1 15 15 VAL C C 9 172.824 172.824 174.972 -2.148 17610 11469 1 13 . 1 1 15 15 VAL CA C 9 58.963 58.963 59.027 -0.064 17610 11470 1 13 . 1 1 15 15 VAL CB C 9 35.405 35.405 32.709 2.696 17610 11471 1 13 . 1 1 15 15 VAL H H 9 9.107 9.107 7.952 1.155 17610 11472 1 13 . 1 1 16 16 GLY N N 10 109.233 109.233 107.358 1.875 17610 11473 1 13 . 1 1 16 16 GLY C C 10 172.504 172.504 172.747 -0.243 17610 11474 1 13 . 1 1 16 16 GLY CA C 10 43.848 43.848 43.509 0.339 17610 11475 1 13 . 1 1 16 16 GLY H H 10 7.394 7.394 8.207 -0.813 17610 11476 1 13 . 1 1 17 17 ALA N N 11 123.120 123.120 121.115 2.005 17610 11477 1 13 . 1 1 17 17 ALA HA H 11 4.547 4.547 4.636 -0.089 17610 11478 1 13 . 1 1 17 17 ALA C C 11 177.371 177.371 176.436 0.935 17610 11479 1 13 . 1 1 17 17 ALA CA C 11 52.236 52.236 52.193 0.043 17610 11480 1 13 . 1 1 17 17 ALA CB C 11 19.807 19.807 19.723 0.084 17610 11481 1 13 . 1 1 17 17 ALA H H 11 9.054 9.054 8.452 0.602 17610 11482 1 13 . 1 1 18 18 GLY N N 12 107.391 107.391 106.705 0.686 17610 11483 1 13 . 1 1 18 18 GLY C C 12 176.858 176.858 175.617 1.241 17610 11484 1 13 . 1 1 18 18 GLY CA C 12 46.465 46.465 45.183 1.282 17610 11485 1 13 . 1 1 18 18 GLY H H 12 8.694 8.694 8.038 0.656 17610 11486 1 13 . 1 1 19 19 GLY N N 13 114.596 114.596 107.417 7.179 17610 11487 1 13 . 1 1 19 19 GLY C C 13 174.661 174.661 173.731 0.930 17610 11488 1 13 . 1 1 19 19 GLY CA C 13 46.545 46.545 45.685 0.859 17610 11489 1 13 . 1 1 19 19 GLY H H 13 8.916 8.916 8.687 0.229 17610 11490 1 13 . 1 1 20 20 VAL N N 14 113.376 113.376 114.756 -1.380 17610 11491 1 13 . 1 1 20 20 VAL HA H 14 4.008 4.008 4.531 -0.523 17610 11492 1 13 . 1 1 20 20 VAL C C 14 174.469 174.469 175.261 -0.792 17610 11493 1 13 . 1 1 20 20 VAL CA C 14 62.825 62.825 59.043 3.782 17610 11494 1 13 . 1 1 20 20 VAL CB C 14 31.740 31.740 32.074 -0.334 17610 11495 1 13 . 1 1 20 20 VAL H H 14 7.427 7.427 7.630 -0.203 17610 11496 1 13 . 1 1 21 21 GLY N N 15 109.392 109.392 114.891 -5.499 17610 11497 1 13 . 1 1 21 21 GLY C C 15 173.254 173.254 174.532 -1.278 17610 11498 1 13 . 1 1 21 21 GLY CA C 15 45.708 45.708 44.924 0.784 17610 11499 1 13 . 1 1 21 21 GLY H H 15 8.388 8.388 9.024 -0.636 17610 11500 1 13 . 1 1 22 22 LYS N N 16 124.844 124.844 121.412 3.432 17610 11501 1 13 . 1 1 22 22 LYS HA H 16 3.537 3.537 4.029 -0.492 17610 11502 1 13 . 1 1 22 22 LYS C C 16 179.106 179.106 177.477 1.629 17610 11503 1 13 . 1 1 22 22 LYS CA C 16 60.990 60.990 59.041 1.949 17610 11504 1 13 . 1 1 22 22 LYS CB C 16 29.967 29.967 32.166 -2.200 17610 11505 1 13 . 1 1 22 22 LYS H H 16 9.097 9.097 8.370 0.727 17610 11506 1 13 . 1 1 23 23 SER N N 17 121.228 121.228 115.525 5.703 17610 11507 1 13 . 1 1 23 23 SER HA H 17 4.292 4.292 4.544 -0.252 17610 11508 1 13 . 1 1 23 23 SER C C 17 175.697 175.697 175.924 -0.227 17610 11509 1 13 . 1 1 23 23 SER CA C 17 61.346 61.346 61.222 0.124 17610 11510 1 13 . 1 1 23 23 SER CB C 17 61.337 61.337 63.161 -1.824 17610 11511 1 13 . 1 1 23 23 SER H H 17 9.546 9.546 8.357 1.189 17610 11512 1 13 . 1 1 24 24 ALA N N 18 126.557 126.557 125.090 1.467 17610 11513 1 13 . 1 1 24 24 ALA HA H 18 3.946 3.946 3.799 0.147 17610 11514 1 13 . 1 1 24 24 ALA C C 18 181.834 181.834 179.368 2.466 17610 11515 1 13 . 1 1 24 24 ALA CA C 18 54.587 54.587 54.781 -0.194 17610 11516 1 13 . 1 1 24 24 ALA CB C 18 18.539 18.539 17.826 0.713 17610 11517 1 13 . 1 1 24 24 ALA H H 18 9.189 9.189 7.271 1.918 17610 11518 1 13 . 1 1 25 25 LEU N N 19 121.712 121.712 114.370 7.342 17610 11519 1 13 . 1 1 25 25 LEU HA H 19 3.878 3.878 4.003 -0.125 17610 11520 1 13 . 1 1 25 25 LEU C C 19 177.485 177.485 178.797 -1.312 17610 11521 1 13 . 1 1 25 25 LEU CA C 19 58.729 58.729 57.733 0.996 17610 11522 1 13 . 1 1 25 25 LEU CB C 19 43.227 43.227 40.812 2.415 17610 11523 1 13 . 1 1 25 25 LEU H H 19 8.817 8.817 7.417 1.400 17610 11524 1 13 . 1 1 26 26 THR N N 20 118.148 118.148 117.062 1.086 17610 11525 1 13 . 1 1 26 26 THR HA H 20 3.401 3.401 4.116 -0.715 17610 11526 1 13 . 1 1 26 26 THR C C 20 175.714 175.714 176.566 -0.852 17610 11527 1 13 . 1 1 26 26 THR CA C 20 68.122 68.122 66.508 1.614 17610 11528 1 13 . 1 1 26 26 THR CB C 20 68.196 68.196 68.550 -0.354 17610 11529 1 13 . 1 1 26 26 THR H H 20 7.517 7.517 7.277 0.240 17610 11530 1 13 . 1 1 27 27 ILE N N 21 121.987 121.987 121.717 0.270 17610 11531 1 13 . 1 1 27 27 ILE HA H 21 3.302 3.302 3.421 -0.119 17610 11532 1 13 . 1 1 27 27 ILE C C 21 175.380 175.380 177.467 -2.087 17610 11533 1 13 . 1 1 27 27 ILE CA C 21 64.278 64.278 64.466 -0.188 17610 11534 1 13 . 1 1 27 27 ILE CB C 21 36.758 36.758 37.411 -0.653 17610 11535 1 13 . 1 1 27 27 ILE H H 21 8.950 8.950 7.634 1.316 17610 11536 1 13 . 1 1 28 28 GLN N N 22 121.898 121.898 117.850 4.048 17610 11537 1 13 . 1 1 28 28 GLN HA H 22 4.334 4.334 3.965 0.369 17610 11538 1 13 . 1 1 28 28 GLN C C 22 179.058 179.058 178.411 0.647 17610 11539 1 13 . 1 1 28 28 GLN CA C 22 58.796 58.796 58.696 0.100 17610 11540 1 13 . 1 1 28 28 GLN CB C 22 29.752 29.752 28.307 1.445 17610 11541 1 13 . 1 1 28 28 GLN H H 22 8.094 8.094 7.620 0.474 17610 11542 1 13 . 1 1 29 29 LEU N N 23 121.426 121.426 118.623 2.803 17610 11543 1 13 . 1 1 29 29 LEU HA H 23 3.765 3.765 4.037 -0.272 17610 11544 1 13 . 1 1 29 29 LEU C C 23 178.155 178.155 178.345 -0.190 17610 11545 1 13 . 1 1 29 29 LEU CA C 23 58.304 58.304 56.541 1.763 17610 11546 1 13 . 1 1 29 29 LEU CB C 23 40.637 40.637 41.984 -1.347 17610 11547 1 13 . 1 1 29 29 LEU H H 23 7.746 7.746 7.355 0.391 17610 11548 1 13 . 1 1 30 30 ILE N N 24 115.325 115.325 116.207 -0.882 17610 11549 1 13 . 1 1 30 30 ILE HA H 24 3.697 3.697 3.683 0.014 17610 11550 1 13 . 1 1 30 30 ILE C C 24 177.421 177.421 177.052 0.369 17610 11551 1 13 . 1 1 30 30 ILE CA C 24 62.050 62.050 63.390 -1.340 17610 11552 1 13 . 1 1 30 30 ILE CB C 24 37.183 37.183 37.509 -0.326 17610 11553 1 13 . 1 1 30 30 ILE H H 24 8.115 8.115 7.351 0.764 17610 11554 1 13 . 1 1 31 31 GLN N N 25 117.213 117.213 116.525 0.688 17610 11555 1 13 . 1 1 31 31 GLN HA H 25 4.539 4.539 4.311 0.228 17610 11556 1 13 . 1 1 31 31 GLN C C 25 176.149 176.149 174.168 1.981 17610 11557 1 13 . 1 1 31 31 GLN CA C 25 55.234 55.234 55.922 -0.688 17610 11558 1 13 . 1 1 31 31 GLN CB C 25 30.184 30.184 30.968 -0.784 17610 11559 1 13 . 1 1 31 31 GLN H H 25 8.887 8.887 8.330 0.557 17610 11560 1 13 . 1 1 32 32 ASN N N 26 117.820 117.820 116.640 1.180 17610 11561 1 13 . 1 1 32 32 ASN HA H 26 4.807 4.807 4.793 0.014 17610 11562 1 13 . 1 1 32 32 ASN C C 26 174.051 174.051 173.418 0.633 17610 11563 1 13 . 1 1 32 32 ASN CA C 26 54.310 54.310 53.648 0.662 17610 11564 1 13 . 1 1 32 32 ASN CB C 26 37.184 37.184 38.141 -0.957 17610 11565 1 13 . 1 1 32 32 ASN H H 26 7.982 7.982 8.399 -0.417 17610 11566 1 13 . 1 1 33 33 HIS N N 27 112.968 112.968 116.872 -3.904 17610 11567 1 13 . 1 1 33 33 HIS HA H 27 4.889 4.889 4.683 0.206 17610 11568 1 13 . 1 1 33 33 HIS C C 27 172.514 172.514 172.772 -0.258 17610 11569 1 13 . 1 1 33 33 HIS CA C 27 54.314 54.314 55.355 -1.041 17610 11570 1 13 . 1 1 33 33 HIS CB C 27 32.616 32.616 30.812 1.804 17610 11571 1 13 . 1 1 33 33 HIS H H 27 6.804 6.804 7.763 -0.959 17610 11572 1 13 . 1 1 34 34 PHE N N 28 123.605 123.605 122.789 0.816 17610 11573 1 13 . 1 1 34 34 PHE HA H 28 4.914 4.914 4.330 0.584 17610 11574 1 13 . 1 1 34 34 PHE C C 28 174.641 174.641 174.385 0.256 17610 11575 1 13 . 1 1 34 34 PHE CA C 28 55.754 55.754 58.384 -2.630 17610 11576 1 13 . 1 1 34 34 PHE CB C 28 40.573 40.573 38.682 1.891 17610 11577 1 13 . 1 1 34 34 PHE H H 28 8.462 8.462 8.574 -0.112 17610 11578 1 13 . 1 1 35 35 VAL N N 29 126.695 126.695 126.805 -0.110 17610 11579 1 13 . 1 1 35 35 VAL HA H 29 3.911 3.911 3.933 -0.022 17610 11580 1 13 . 1 1 35 35 VAL C C 29 173.764 173.764 175.751 -1.987 17610 11581 1 13 . 1 1 35 35 VAL CA C 29 61.275 61.275 61.810 -0.535 17610 11582 1 13 . 1 1 35 35 VAL CB C 29 33.154 33.154 33.275 -0.121 17610 11583 1 13 . 1 1 35 35 VAL H H 29 7.537 7.537 7.965 -0.428 17610 11584 1 13 . 1 1 36 36 ASP N N 30 123.271 123.271 123.415 -0.144 17610 11585 1 13 . 1 1 36 36 ASP HA H 30 4.185 4.185 4.794 -0.609 17610 11586 1 13 . 1 1 36 36 ASP C C 30 176.129 176.129 175.484 0.645 17610 11587 1 13 . 1 1 36 36 ASP CA C 30 54.662 54.662 55.229 -0.567 17610 11588 1 13 . 1 1 36 36 ASP CB C 30 41.323 41.323 42.145 -0.822 17610 11589 1 13 . 1 1 36 36 ASP H H 30 7.618 7.618 8.511 -0.893 17610 11590 1 13 . 1 1 37 37 GLU N N 31 119.730 119.730 118.264 1.466 17610 11591 1 13 . 1 1 37 37 GLU HA H 31 4.262 4.262 4.427 -0.165 17610 11592 1 13 . 1 1 37 37 GLU C C 31 174.901 174.901 174.809 0.092 17610 11593 1 13 . 1 1 37 37 GLU CA C 31 56.137 56.137 56.672 -0.535 17610 11594 1 13 . 1 1 37 37 GLU CB C 31 30.459 30.459 28.427 2.032 17610 11595 1 13 . 1 1 37 37 GLU H H 31 7.857 7.857 8.219 -0.362 17610 11596 1 13 . 1 1 38 38 TYR N N 32 123.296 123.296 121.164 2.132 17610 11597 1 13 . 1 1 38 38 TYR HA H 32 4.486 4.486 4.895 -0.409 17610 11598 1 13 . 1 1 38 38 TYR C C 32 174.370 174.370 174.014 0.356 17610 11599 1 13 . 1 1 38 38 TYR CA C 32 57.511 57.511 57.449 0.062 17610 11600 1 13 . 1 1 38 38 TYR CB C 32 39.199 39.199 40.213 -1.014 17610 11601 1 13 . 1 1 38 38 TYR H H 32 8.244 8.244 8.125 0.119 17610 11602 1 13 . 1 1 39 39 ASP N N 33 127.452 127.452 123.023 4.429 17610 11603 1 13 . 1 1 39 39 ASP HA H 33 4.891 4.891 4.481 0.410 17610 11604 1 13 . 1 1 39 39 ASP CA C 33 51.207 51.207 51.272 -0.065 17610 11605 1 13 . 1 1 39 39 ASP CB C 33 41.837 41.837 42.037 -0.200 17610 11606 1 13 . 1 1 39 39 ASP H H 33 8.158 8.158 8.200 -0.042 17610 11607 1 13 . 1 1 40 40 PRO HA H 34 4.405 4.405 4.515 -0.110 17610 11608 1 13 . 1 1 40 40 PRO C C 34 176.938 176.938 176.961 -0.023 17610 11609 1 13 . 1 1 40 40 PRO CA C 34 63.068 63.068 64.207 -1.139 17610 11610 1 13 . 1 1 40 40 PRO CB C 34 32.089 32.089 32.398 -0.309 17610 11611 1 13 . 1 1 41 41 SER N N 35 117.575 117.575 110.734 6.841 17610 11612 1 13 . 1 1 41 41 SER HA H 35 4.433 4.433 4.521 -0.088 17610 11613 1 13 . 1 1 41 41 SER C C 35 174.777 174.777 172.802 1.975 17610 11614 1 13 . 1 1 41 41 SER CA C 35 58.346 58.346 58.431 -0.085 17610 11615 1 13 . 1 1 41 41 SER CB C 35 63.704 63.704 62.814 0.890 17610 11616 1 13 . 1 1 41 41 SER H H 35 8.495 8.495 7.741 0.754 17610 11617 1 13 . 1 1 42 42 ILE N N 36 123.018 123.018 116.392 6.626 17610 11618 1 13 . 1 1 42 42 ILE HA H 36 4.219 4.219 4.381 -0.162 17610 11619 1 13 . 1 1 42 42 ILE C C 36 175.966 175.966 174.590 1.376 17610 11620 1 13 . 1 1 42 42 ILE CA C 36 61.665 61.665 59.644 2.021 17610 11621 1 13 . 1 1 42 42 ILE CB C 36 38.745 38.745 40.861 -2.116 17610 11622 1 13 . 1 1 42 42 ILE H H 36 7.919 7.919 7.616 0.303 17610 11623 1 13 . 1 1 43 43 GLU N N 37 124.699 124.699 119.338 5.361 17610 11624 1 13 . 1 1 43 43 GLU HA H 37 4.381 4.381 4.270 0.111 17610 11625 1 13 . 1 1 43 43 GLU C C 37 179.069 179.069 175.311 3.758 17610 11626 1 13 . 1 1 43 43 GLU CA C 37 56.223 56.223 56.730 -0.507 17610 11627 1 13 . 1 1 43 43 GLU CB C 37 30.616 30.616 30.949 -0.333 17610 11628 1 13 . 1 1 43 43 GLU H H 37 8.201 8.201 8.489 -0.288 17610 11629 1 13 . 1 1 44 44 ASP N N 38 121.902 121.902 116.016 5.886 17610 11630 1 13 . 1 1 44 44 ASP HA H 38 4.622 4.622 4.546 0.076 17610 11631 1 13 . 1 1 44 44 ASP C C 38 174.634 174.634 173.821 0.813 17610 11632 1 13 . 1 1 44 44 ASP CA C 38 54.095 54.095 53.697 0.398 17610 11633 1 13 . 1 1 44 44 ASP CB C 38 41.837 41.837 40.575 1.262 17610 11634 1 13 . 1 1 44 44 ASP H H 38 8.094 8.094 7.872 0.222 17610 11635 1 13 . 1 1 45 45 SER N N 39 114.779 114.779 114.170 0.609 17610 11636 1 13 . 1 1 45 45 SER HA H 39 4.923 4.923 4.524 0.399 17610 11637 1 13 . 1 1 45 45 SER C C 39 173.339 173.339 172.204 1.135 17610 11638 1 13 . 1 1 45 45 SER CA C 39 57.023 57.023 57.422 -0.400 17610 11639 1 13 . 1 1 45 45 SER CB C 39 64.751 64.751 64.722 0.030 17610 11640 1 13 . 1 1 45 45 SER H H 39 7.792 7.792 7.178 0.614 17610 11641 1 13 . 1 1 46 46 TYR N N 40 124.235 124.235 120.378 3.857 17610 11642 1 13 . 1 1 46 46 TYR HA H 40 4.662 4.662 4.739 -0.077 17610 11643 1 13 . 1 1 46 46 TYR C C 40 173.910 173.910 173.141 0.769 17610 11644 1 13 . 1 1 46 46 TYR CA C 40 56.944 56.944 57.425 -0.481 17610 11645 1 13 . 1 1 46 46 TYR CB C 40 41.323 41.323 42.056 -0.733 17610 11646 1 13 . 1 1 46 46 TYR H H 40 8.976 8.976 8.884 0.092 17610 11647 1 13 . 1 1 47 47 ARG N N 41 121.906 121.906 118.652 3.254 17610 11648 1 13 . 1 1 47 47 ARG HA H 41 5.802 5.802 5.141 0.661 17610 11649 1 13 . 1 1 47 47 ARG C C 41 176.150 176.150 174.784 1.366 17610 11650 1 13 . 1 1 47 47 ARG CA C 41 54.129 54.129 54.645 -0.516 17610 11651 1 13 . 1 1 47 47 ARG CB C 41 34.105 34.105 34.079 0.026 17610 11652 1 13 . 1 1 47 47 ARG H H 41 8.238 8.238 8.496 -0.258 17610 11653 1 13 . 1 1 48 48 LYS N N 42 123.924 123.924 121.692 2.232 17610 11654 1 13 . 1 1 48 48 LYS HA H 42 4.508 4.508 4.640 -0.132 17610 11655 1 13 . 1 1 48 48 LYS C C 42 173.710 173.710 174.850 -1.140 17610 11656 1 13 . 1 1 48 48 LYS CA C 42 55.651 55.651 54.263 1.388 17610 11657 1 13 . 1 1 48 48 LYS CB C 42 38.139 38.139 36.557 1.582 17610 11658 1 13 . 1 1 48 48 LYS H H 42 8.705 8.705 8.816 -0.111 17610 11659 1 13 . 1 1 49 49 GLN N N 43 130.301 130.301 126.068 4.233 17610 11660 1 13 . 1 1 49 49 GLN HA H 43 5.230 5.230 4.681 0.549 17610 11661 1 13 . 1 1 49 49 GLN C C 43 175.254 175.254 174.813 0.441 17610 11662 1 13 . 1 1 49 49 GLN CA C 43 55.496 55.496 55.522 -0.026 17610 11663 1 13 . 1 1 49 49 GLN CB C 43 29.892 29.892 29.545 0.347 17610 11664 1 13 . 1 1 49 49 GLN H H 43 8.897 8.897 8.633 0.264 17610 11665 1 13 . 1 1 50 50 VAL N N 44 122.354 122.354 121.733 0.621 17610 11666 1 13 . 1 1 50 50 VAL HA H 44 4.772 4.772 4.617 0.155 17610 11667 1 13 . 1 1 50 50 VAL C C 44 173.116 173.116 173.028 0.088 17610 11668 1 13 . 1 1 50 50 VAL CA C 44 59.238 59.238 59.190 0.048 17610 11669 1 13 . 1 1 50 50 VAL CB C 44 35.888 35.888 35.138 0.750 17610 11670 1 13 . 1 1 50 50 VAL H H 44 9.104 9.104 8.626 0.478 17610 11671 1 13 . 1 1 51 51 VAL N N 45 122.385 122.385 120.953 1.432 17610 11672 1 13 . 1 1 51 51 VAL HA H 45 4.462 4.462 4.525 -0.063 17610 11673 1 13 . 1 1 51 51 VAL C C 45 175.450 175.450 174.803 0.647 17610 11674 1 13 . 1 1 51 51 VAL CA C 45 61.832 61.832 60.261 1.571 17610 11675 1 13 . 1 1 51 51 VAL CB C 45 32.228 32.228 32.728 -0.500 17610 11676 1 13 . 1 1 51 51 VAL H H 45 8.100 8.100 8.351 -0.251 17610 11677 1 13 . 1 1 52 52 ILE N N 46 126.953 126.953 130.161 -3.208 17610 11678 1 13 . 1 1 52 52 ILE HA H 46 3.995 3.995 4.056 -0.061 17610 11679 1 13 . 1 1 52 52 ILE C C 46 176.424 176.424 176.016 0.408 17610 11680 1 13 . 1 1 52 52 ILE CA C 46 60.343 60.343 59.981 0.362 17610 11681 1 13 . 1 1 52 52 ILE CB C 46 40.096 40.096 36.908 3.188 17610 11682 1 13 . 1 1 52 52 ILE H H 46 8.118 8.118 7.901 0.217 17610 11683 1 13 . 1 1 53 53 ASP N N 47 132.206 132.206 128.696 3.510 17610 11684 1 13 . 1 1 53 53 ASP HA H 47 4.267 4.267 4.419 -0.152 17610 11685 1 13 . 1 1 53 53 ASP C C 47 176.121 176.121 176.632 -0.511 17610 11686 1 13 . 1 1 53 53 ASP CA C 47 55.267 55.267 54.458 0.809 17610 11687 1 13 . 1 1 53 53 ASP CB C 47 39.203 39.203 40.205 -1.002 17610 11688 1 13 . 1 1 53 53 ASP H H 47 9.605 9.605 9.120 0.485 17610 11689 1 13 . 1 1 54 54 GLY N N 48 104.275 104.275 104.636 -0.361 17610 11690 1 13 . 1 1 54 54 GLY C C 48 173.219 173.219 173.625 -0.406 17610 11691 1 13 . 1 1 54 54 GLY CA C 48 45.318 45.318 45.468 -0.150 17610 11692 1 13 . 1 1 54 54 GLY H H 48 8.332 8.332 8.628 -0.296 17610 11693 1 13 . 1 1 55 55 GLU N N 49 123.384 123.384 120.038 3.346 17610 11694 1 13 . 1 1 55 55 GLU HA H 49 4.691 4.691 4.580 0.111 17610 11695 1 13 . 1 1 55 55 GLU C C 49 175.614 175.614 175.430 0.184 17610 11696 1 13 . 1 1 55 55 GLU CA C 49 54.719 54.719 54.121 0.598 17610 11697 1 13 . 1 1 55 55 GLU CB C 49 31.803 31.803 30.874 0.929 17610 11698 1 13 . 1 1 55 55 GLU H H 49 7.684 7.684 7.449 0.235 17610 11699 1 13 . 1 1 56 56 THR N N 50 127.153 127.153 122.316 4.837 17610 11700 1 13 . 1 1 56 56 THR HA H 50 4.727 4.727 4.250 0.477 17610 11701 1 13 . 1 1 56 56 THR C C 50 173.530 173.530 174.413 -0.883 17610 11702 1 13 . 1 1 56 56 THR CA C 50 63.521 63.521 65.479 -1.958 17610 11703 1 13 . 1 1 56 56 THR CB C 50 68.478 68.478 68.959 -0.481 17610 11704 1 13 . 1 1 56 56 THR H H 50 8.951 8.951 8.701 0.250 17610 11705 1 13 . 1 1 57 57 CYS N N 51 124.835 124.835 122.671 2.164 17610 11706 1 13 . 1 1 57 57 CYS HA H 51 5.086 5.086 4.576 0.510 17610 11707 1 13 . 1 1 57 57 CYS C C 51 170.937 170.937 172.526 -1.589 17610 11708 1 13 . 1 1 57 57 CYS CA C 51 56.423 56.423 58.231 -1.808 17610 11709 1 13 . 1 1 57 57 CYS CB C 51 31.549 31.549 32.333 -0.784 17610 11710 1 13 . 1 1 57 57 CYS H H 51 9.424 9.424 9.121 0.303 17610 11711 1 13 . 1 1 58 58 LEU N N 52 123.111 123.111 121.871 1.240 17610 11712 1 13 . 1 1 58 58 LEU HA H 52 4.943 4.943 4.528 0.415 17610 11713 1 13 . 1 1 58 58 LEU C C 52 175.044 175.044 175.254 -0.210 17610 11714 1 13 . 1 1 58 58 LEU CA C 52 53.372 53.372 54.253 -0.881 17610 11715 1 13 . 1 1 58 58 LEU CB C 52 44.304 44.304 43.624 0.680 17610 11716 1 13 . 1 1 58 58 LEU H H 52 8.803 8.803 8.953 -0.150 17610 11717 1 13 . 1 1 59 59 LEU N N 53 124.540 124.540 125.513 -0.973 17610 11718 1 13 . 1 1 59 59 LEU HA H 53 4.888 4.888 4.859 0.029 17610 11719 1 13 . 1 1 59 59 LEU C C 53 174.358 174.358 175.513 -1.155 17610 11720 1 13 . 1 1 59 59 LEU CA C 53 53.490 53.490 53.874 -0.384 17610 11721 1 13 . 1 1 59 59 LEU CB C 53 42.195 42.195 42.738 -0.543 17610 11722 1 13 . 1 1 59 59 LEU H H 53 9.054 9.054 9.053 0.001 17610 11723 1 13 . 1 1 60 60 ASP N N 54 126.666 126.666 125.967 0.699 17610 11724 1 13 . 1 1 60 60 ASP HA H 54 5.225 5.225 4.931 0.294 17610 11725 1 13 . 1 1 60 60 ASP C C 54 174.846 174.846 175.306 -0.460 17610 11726 1 13 . 1 1 60 60 ASP CA C 54 53.040 53.040 54.387 -1.347 17610 11727 1 13 . 1 1 60 60 ASP CB C 54 42.622 42.622 41.007 1.615 17610 11728 1 13 . 1 1 60 60 ASP H H 54 8.739 8.739 8.671 0.068 17610 11729 1 13 . 1 1 61 61 ILE N N 55 125.100 125.100 124.089 1.011 17610 11730 1 13 . 1 1 61 61 ILE HA H 55 4.690 4.690 4.381 0.309 17610 11731 1 13 . 1 1 61 61 ILE C C 55 174.745 174.745 175.105 -0.360 17610 11732 1 13 . 1 1 61 61 ILE CA C 55 60.331 60.331 59.324 1.007 17610 11733 1 13 . 1 1 61 61 ILE CB C 55 39.682 39.682 37.029 2.653 17610 11734 1 13 . 1 1 61 61 ILE H H 55 9.115 9.115 7.993 1.122 17610 11735 1 13 . 1 1 62 62 LEU N N 56 131.208 131.208 129.000 2.208 17610 11736 1 13 . 1 1 62 62 LEU HA H 56 4.667 4.667 4.568 0.099 17610 11737 1 13 . 1 1 62 62 LEU C C 56 174.063 174.063 174.485 -0.422 17610 11738 1 13 . 1 1 62 62 LEU CA C 56 53.795 53.795 53.826 -0.031 17610 11739 1 13 . 1 1 62 62 LEU CB C 56 42.256 42.256 44.632 -2.376 17610 11740 1 13 . 1 1 62 62 LEU H H 56 9.014 9.014 9.064 -0.050 17610 11741 1 13 . 1 1 63 63 ASP N N 57 128.415 128.415 127.990 0.425 17610 11742 1 13 . 1 1 63 63 ASP HA H 57 4.783 4.783 5.030 -0.247 17610 11743 1 13 . 1 1 63 63 ASP C C 57 176.341 176.341 176.209 0.132 17610 11744 1 13 . 1 1 63 63 ASP CA C 57 52.988 52.988 52.465 0.523 17610 11745 1 13 . 1 1 63 63 ASP CB C 57 41.837 41.837 42.479 -0.642 17610 11746 1 13 . 1 1 63 63 ASP H H 57 8.657 8.657 8.020 0.637 17610 11747 1 13 . 1 1 64 64 THR N N 58 114.950 114.950 116.457 -1.507 17610 11748 1 13 . 1 1 64 64 THR HA H 58 4.425 4.425 4.359 0.066 17610 11749 1 13 . 1 1 64 64 THR C C 58 172.734 172.734 174.516 -1.782 17610 11750 1 13 . 1 1 64 64 THR CA C 58 61.488 61.488 61.427 0.061 17610 11751 1 13 . 1 1 64 64 THR CB C 58 71.398 71.398 70.188 1.210 17610 11752 1 13 . 1 1 64 64 THR H H 58 7.369 7.369 7.674 -0.305 17610 11753 1 13 . 1 1 65 65 ALA N N 59 123.940 123.940 121.612 2.328 17610 11754 1 13 . 1 1 65 65 ALA HA H 59 4.764 4.764 4.225 0.539 17610 11755 1 13 . 1 1 65 65 ALA C C 59 179.480 179.480 177.763 1.717 17610 11756 1 13 . 1 1 65 65 ALA CA C 59 51.422 51.422 52.885 -1.463 17610 11757 1 13 . 1 1 65 65 ALA CB C 59 20.796 20.796 19.487 1.309 17610 11758 1 13 . 1 1 65 65 ALA H H 59 8.329 8.329 8.281 0.048 17610 11759 1 13 . 1 1 66 66 GLY N N 60 112.527 112.527 107.020 5.507 17610 11760 1 13 . 1 1 66 66 GLY C C 60 174.938 174.938 174.423 0.515 17610 11761 1 13 . 1 1 66 66 GLY CA C 60 46.057 46.057 46.006 0.051 17610 11762 1 13 . 1 1 66 66 GLY H H 60 9.397 9.397 8.437 0.960 17610 11763 1 13 . 1 1 67 67 GLN N N 61 120.877 120.877 120.805 0.072 17610 11764 1 13 . 1 1 67 67 GLN HA H 61 4.422 4.422 4.769 -0.347 17610 11765 1 13 . 1 1 67 67 GLN C C 61 176.298 176.298 175.158 1.140 17610 11766 1 13 . 1 1 67 67 GLN CA C 61 56.355 56.355 55.496 0.859 17610 11767 1 13 . 1 1 67 67 GLN CB C 61 29.438 29.438 29.818 -0.380 17610 11768 1 13 . 1 1 67 67 GLN H H 61 8.237 8.237 8.414 -0.177 17610 11769 1 13 . 1 1 68 68 GLU N N 62 123.751 123.751 123.069 0.682 17610 11770 1 13 . 1 1 68 68 GLU HA H 62 4.208 4.208 4.493 -0.285 17610 11771 1 13 . 1 1 68 68 GLU C C 62 177.032 177.032 175.415 1.617 17610 11772 1 13 . 1 1 68 68 GLU CA C 62 57.801 57.801 56.375 1.426 17610 11773 1 13 . 1 1 68 68 GLU CB C 62 29.834 29.834 32.185 -2.351 17610 11774 1 13 . 1 1 68 68 GLU H H 62 8.738 8.738 8.701 0.037 17610 11775 1 13 . 1 1 69 69 GLU N N 63 121.861 121.861 122.137 -0.276 17610 11776 1 13 . 1 1 69 69 GLU HA H 63 4.228 4.228 4.479 -0.251 17610 11777 1 13 . 1 1 69 69 GLU C C 63 176.145 176.145 175.210 0.935 17610 11778 1 13 . 1 1 69 69 GLU CA C 63 57.026 57.026 55.828 1.198 17610 11779 1 13 . 1 1 69 69 GLU CB C 63 30.231 30.231 29.059 1.172 17610 11780 1 13 . 1 1 69 69 GLU H H 63 8.607 8.607 8.651 -0.044 17610 11781 1 13 . 1 1 70 70 TYR N N 64 121.801 121.801 121.480 0.321 17610 11782 1 13 . 1 1 70 70 TYR HA H 64 4.587 4.587 4.701 -0.114 17610 11783 1 13 . 1 1 70 70 TYR C C 64 175.965 175.965 175.579 0.386 17610 11784 1 13 . 1 1 70 70 TYR CA C 64 58.160 58.160 56.824 1.336 17610 11785 1 13 . 1 1 70 70 TYR CB C 64 38.288 38.288 37.901 0.387 17610 11786 1 13 . 1 1 70 70 TYR H H 64 8.225 8.225 7.792 0.433 17610 11787 1 13 . 1 1 71 71 SER N N 65 120.137 120.137 120.807 -0.670 17610 11788 1 13 . 1 1 71 71 SER HA H 65 4.269 4.269 4.344 -0.075 17610 11789 1 13 . 1 1 71 71 SER C C 65 174.912 174.912 175.749 -0.837 17610 11790 1 13 . 1 1 71 71 SER CA C 65 58.755 58.755 59.324 -0.569 17610 11791 1 13 . 1 1 71 71 SER CB C 65 63.755 63.755 63.741 0.014 17610 11792 1 13 . 1 1 71 71 SER H H 65 7.884 7.884 8.752 -0.868 17610 11793 1 13 . 1 1 72 72 ALA N N 66 127.848 127.848 126.080 1.768 17610 11794 1 13 . 1 1 72 72 ALA HA H 66 4.193 4.193 4.033 0.160 17610 11795 1 13 . 1 1 72 72 ALA C C 66 179.820 179.820 179.671 0.149 17610 11796 1 13 . 1 1 72 72 ALA CA C 66 54.595 54.595 54.874 -0.279 17610 11797 1 13 . 1 1 72 72 ALA CB C 66 18.264 18.264 18.284 -0.020 17610 11798 1 13 . 1 1 72 72 ALA H H 66 8.706 8.706 8.542 0.164 17610 11799 1 13 . 1 1 73 73 MET N N 67 118.448 118.448 116.399 2.049 17610 11800 1 13 . 1 1 73 73 MET HA H 67 4.271 4.271 3.814 0.457 17610 11801 1 13 . 1 1 73 73 MET C C 67 177.098 177.098 177.928 -0.830 17610 11802 1 13 . 1 1 73 73 MET CA C 67 56.915 56.915 58.298 -1.383 17610 11803 1 13 . 1 1 73 73 MET CB C 67 32.031 32.031 32.189 -0.158 17610 11804 1 13 . 1 1 73 73 MET H H 67 8.007 8.007 8.142 -0.135 17610 11805 1 13 . 1 1 74 74 ARG N N 68 121.351 121.351 119.431 1.920 17610 11806 1 13 . 1 1 74 74 ARG HA H 68 3.793 3.793 4.042 -0.249 17610 11807 1 13 . 1 1 74 74 ARG C C 68 177.730 177.730 178.619 -0.889 17610 11808 1 13 . 1 1 74 74 ARG CA C 68 59.093 59.093 59.587 -0.494 17610 11809 1 13 . 1 1 74 74 ARG CB C 68 30.118 30.118 29.643 0.475 17610 11810 1 13 . 1 1 74 74 ARG H H 68 7.761 7.761 7.763 -0.002 17610 11811 1 13 . 1 1 75 75 ASP N N 69 119.938 119.938 117.749 2.189 17610 11812 1 13 . 1 1 75 75 ASP HA H 69 4.286 4.286 4.520 -0.234 17610 11813 1 13 . 1 1 75 75 ASP C C 69 177.998 177.998 178.363 -0.365 17610 11814 1 13 . 1 1 75 75 ASP CA C 69 57.555 57.555 57.315 0.240 17610 11815 1 13 . 1 1 75 75 ASP CB C 69 40.401 40.401 40.482 -0.081 17610 11816 1 13 . 1 1 75 75 ASP H H 69 8.077 8.077 7.971 0.106 17610 11817 1 13 . 1 1 76 76 GLN N N 70 119.151 119.151 120.080 -0.929 17610 11818 1 13 . 1 1 76 76 GLN HA H 70 4.050 4.050 4.062 -0.012 17610 11819 1 13 . 1 1 76 76 GLN C C 70 178.837 178.837 178.373 0.464 17610 11820 1 13 . 1 1 76 76 GLN CA C 70 58.920 58.920 58.729 0.191 17610 11821 1 13 . 1 1 76 76 GLN CB C 70 28.063 28.063 28.530 -0.467 17610 11822 1 13 . 1 1 76 76 GLN H H 70 7.789 7.789 7.182 0.607 17610 11823 1 13 . 1 1 77 77 TYR N N 71 119.847 119.847 118.905 0.942 17610 11824 1 13 . 1 1 77 77 TYR HA H 71 4.548 4.548 4.495 0.053 17610 11825 1 13 . 1 1 77 77 TYR C C 71 178.680 178.680 179.266 -0.586 17610 11826 1 13 . 1 1 77 77 TYR CA C 71 58.785 58.785 59.396 -0.611 17610 11827 1 13 . 1 1 77 77 TYR CB C 71 36.986 36.986 38.227 -1.242 17610 11828 1 13 . 1 1 77 77 TYR H H 71 8.131 8.131 8.003 0.128 17610 11829 1 13 . 1 1 78 78 MET N N 72 119.987 119.987 117.584 2.403 17610 11830 1 13 . 1 1 78 78 MET HA H 72 4.402 4.402 4.469 -0.067 17610 11831 1 13 . 1 1 78 78 MET C C 72 177.008 177.008 178.505 -1.497 17610 11832 1 13 . 1 1 78 78 MET CA C 72 59.028 59.028 59.634 -0.606 17610 11833 1 13 . 1 1 78 78 MET CB C 72 32.709 32.709 32.216 0.493 17610 11834 1 13 . 1 1 78 78 MET H H 72 8.380 8.380 8.629 -0.249 17610 11835 1 13 . 1 1 79 79 ARG N N 73 117.792 117.792 115.042 2.750 17610 11836 1 13 . 1 1 79 79 ARG HA H 73 3.914 3.914 4.320 -0.406 17610 11837 1 13 . 1 1 79 79 ARG C C 73 178.169 178.169 177.365 0.804 17610 11838 1 13 . 1 1 79 79 ARG CA C 73 59.493 59.493 58.145 1.348 17610 11839 1 13 . 1 1 79 79 ARG CB C 73 30.100 30.100 30.799 -0.699 17610 11840 1 13 . 1 1 79 79 ARG H H 73 7.992 7.992 7.680 0.312 17610 11841 1 13 . 1 1 80 80 THR N N 74 110.012 110.012 109.268 0.744 17610 11842 1 13 . 1 1 80 80 THR HA H 74 4.242 4.242 4.438 -0.196 17610 11843 1 13 . 1 1 80 80 THR C C 74 175.640 175.640 174.007 1.633 17610 11844 1 13 . 1 1 80 80 THR CA C 74 62.863 62.863 61.214 1.649 17610 11845 1 13 . 1 1 80 80 THR CB C 74 69.808 69.808 69.675 0.133 17610 11846 1 13 . 1 1 80 80 THR H H 74 7.718 7.718 7.701 0.017 17610 11847 1 13 . 1 1 81 81 GLY N N 75 109.297 109.297 109.082 0.215 17610 11848 1 13 . 1 1 81 81 GLY C C 75 172.419 172.419 173.630 -1.211 17610 11849 1 13 . 1 1 81 81 GLY CA C 75 46.504 46.504 43.755 2.749 17610 11850 1 13 . 1 1 81 81 GLY H H 75 7.852 7.852 7.192 0.660 17610 11851 1 13 . 1 1 82 82 GLU N N 76 122.399 122.399 122.346 0.053 17610 11852 1 13 . 1 1 82 82 GLU HA H 76 4.523 4.523 4.207 0.316 17610 11853 1 13 . 1 1 82 82 GLU C C 76 176.409 176.409 175.766 0.643 17610 11854 1 13 . 1 1 82 82 GLU CA C 76 56.469 56.469 57.580 -1.111 17610 11855 1 13 . 1 1 82 82 GLU CB C 76 32.049 32.049 30.762 1.287 17610 11856 1 13 . 1 1 82 82 GLU H H 76 8.879 8.879 8.179 0.700 17610 11857 1 13 . 1 1 83 83 GLY N N 77 102.282 102.282 103.957 -1.675 17610 11858 1 13 . 1 1 83 83 GLY C C 77 170.803 170.803 171.494 -0.691 17610 11859 1 13 . 1 1 83 83 GLY CA C 77 45.453 45.453 45.046 0.407 17610 11860 1 13 . 1 1 83 83 GLY H H 77 7.192 7.192 7.356 -0.164 17610 11861 1 13 . 1 1 84 84 PHE N N 78 122.648 122.648 117.568 5.080 17610 11862 1 13 . 1 1 84 84 PHE HA H 78 5.448 5.448 5.513 -0.065 17610 11863 1 13 . 1 1 84 84 PHE C C 78 173.734 173.734 174.048 -0.314 17610 11864 1 13 . 1 1 84 84 PHE CA C 78 57.065 57.065 56.752 0.313 17610 11865 1 13 . 1 1 84 84 PHE CB C 78 42.997 42.997 43.877 -0.880 17610 11866 1 13 . 1 1 84 84 PHE H H 78 8.224 8.224 8.509 -0.285 17610 11867 1 13 . 1 1 85 85 LEU N N 79 127.298 127.298 122.752 4.546 17610 11868 1 13 . 1 1 85 85 LEU HA H 79 4.690 4.690 5.119 -0.429 17610 11869 1 13 . 1 1 85 85 LEU C C 79 174.690 174.690 175.290 -0.600 17610 11870 1 13 . 1 1 85 85 LEU CA C 79 53.981 53.981 53.961 0.020 17610 11871 1 13 . 1 1 85 85 LEU CB C 79 43.058 43.058 46.146 -3.088 17610 11872 1 13 . 1 1 85 85 LEU H H 79 9.189 9.189 9.414 -0.225 17610 11873 1 13 . 1 1 86 86 CYS N N 80 125.581 125.581 127.503 -1.922 17610 11874 1 13 . 1 1 86 86 CYS HA H 80 4.689 4.689 4.742 -0.053 17610 11875 1 13 . 1 1 86 86 CYS C C 80 172.664 172.664 173.738 -1.074 17610 11876 1 13 . 1 1 86 86 CYS CA C 80 57.767 57.767 57.413 0.353 17610 11877 1 13 . 1 1 86 86 CYS CB C 80 27.397 27.397 26.373 1.024 17610 11878 1 13 . 1 1 86 86 CYS H H 80 8.720 8.720 9.337 -0.617 17610 11879 1 13 . 1 1 87 87 VAL N N 81 127.252 127.252 127.544 -0.292 17610 11880 1 13 . 1 1 87 87 VAL HA H 81 4.983 4.983 4.937 0.046 17610 11881 1 13 . 1 1 87 87 VAL C C 81 175.119 175.119 175.232 -0.113 17610 11882 1 13 . 1 1 87 87 VAL CA C 81 61.275 61.275 61.691 -0.416 17610 11883 1 13 . 1 1 87 87 VAL CB C 81 33.407 33.407 32.371 1.036 17610 11884 1 13 . 1 1 87 87 VAL H H 81 9.028 9.028 8.452 0.576 17610 11885 1 13 . 1 1 88 88 PHE N N 82 125.157 125.157 124.604 0.553 17610 11886 1 13 . 1 1 88 88 PHE HA H 82 4.992 4.992 5.224 -0.232 17610 11887 1 13 . 1 1 88 88 PHE C C 82 171.162 171.162 173.698 -2.536 17610 11888 1 13 . 1 1 88 88 PHE CA C 82 55.349 55.349 54.573 0.776 17610 11889 1 13 . 1 1 88 88 PHE CB C 82 40.430 40.430 42.308 -1.878 17610 11890 1 13 . 1 1 88 88 PHE H H 82 9.306 9.306 8.817 0.489 17610 11891 1 13 . 1 1 89 89 ALA N N 83 122.321 122.321 124.848 -2.527 17610 11892 1 13 . 1 1 89 89 ALA HA H 83 5.082 5.082 5.019 0.063 17610 11893 1 13 . 1 1 89 89 ALA C C 83 179.267 179.267 178.849 0.418 17610 11894 1 13 . 1 1 89 89 ALA CA C 83 49.635 49.635 50.124 -0.489 17610 11895 1 13 . 1 1 89 89 ALA CB C 83 21.739 21.739 19.494 2.245 17610 11896 1 13 . 1 1 89 89 ALA H H 83 8.692 8.692 8.466 0.226 17610 11897 1 13 . 1 1 90 90 ILE N N 84 114.459 114.459 120.691 -6.232 17610 11898 1 13 . 1 1 90 90 ILE HA H 84 4.054 4.054 3.717 0.337 17610 11899 1 13 . 1 1 90 90 ILE C C 84 174.164 174.164 176.698 -2.534 17610 11900 1 13 . 1 1 90 90 ILE CA C 84 63.169 63.169 64.270 -1.101 17610 11901 1 13 . 1 1 90 90 ILE CB C 84 38.174 38.174 37.520 0.654 17610 11902 1 13 . 1 1 90 90 ILE H H 84 8.461 8.461 7.616 0.845 17610 11903 1 13 . 1 1 91 91 ASN N N 85 118.240 118.240 117.959 0.281 17610 11904 1 13 . 1 1 91 91 ASN HA H 85 5.049 5.049 4.682 0.367 17610 11905 1 13 . 1 1 91 91 ASN C C 85 174.583 174.583 174.842 -0.259 17610 11906 1 13 . 1 1 91 91 ASN CA C 85 52.161 52.161 54.178 -2.018 17610 11907 1 13 . 1 1 91 91 ASN CB C 85 38.132 38.132 38.727 -0.596 17610 11908 1 13 . 1 1 91 91 ASN H H 85 7.906 7.906 8.531 -0.625 17610 11909 1 13 . 1 1 92 92 ASN N N 86 120.345 120.345 117.981 2.364 17610 11910 1 13 . 1 1 92 92 ASN HA H 86 5.080 5.080 4.966 0.114 17610 11911 1 13 . 1 1 92 92 ASN C C 86 175.090 175.090 175.701 -0.611 17610 11912 1 13 . 1 1 92 92 ASN CA C 86 52.041 52.041 52.351 -0.310 17610 11913 1 13 . 1 1 92 92 ASN CB C 86 39.203 39.203 39.701 -0.498 17610 11914 1 13 . 1 1 92 92 ASN H H 86 7.931 7.931 7.665 0.266 17610 11915 1 13 . 1 1 93 93 THR N N 87 125.665 125.665 121.193 4.472 17610 11916 1 13 . 1 1 93 93 THR HA H 87 3.772 3.772 4.205 -0.433 17610 11917 1 13 . 1 1 93 93 THR C C 87 176.012 176.012 175.672 0.340 17610 11918 1 13 . 1 1 93 93 THR CA C 87 66.753 66.753 65.703 1.050 17610 11919 1 13 . 1 1 93 93 THR CB C 87 68.400 68.400 69.216 -0.816 17610 11920 1 13 . 1 1 93 93 THR H H 87 9.272 9.272 8.879 0.393 17610 11921 1 13 . 1 1 94 94 LYS N N 88 125.404 125.404 121.705 3.699 17610 11922 1 13 . 1 1 94 94 LYS HA H 88 4.186 4.186 4.047 0.139 17610 11923 1 13 . 1 1 94 94 LYS C C 88 178.027 178.027 178.241 -0.214 17610 11924 1 13 . 1 1 94 94 LYS CA C 88 59.359 59.359 59.794 -0.435 17610 11925 1 13 . 1 1 94 94 LYS CB C 88 31.292 31.292 32.261 -0.969 17610 11926 1 13 . 1 1 94 94 LYS H H 88 8.456 8.456 8.042 0.414 17610 11927 1 13 . 1 1 95 95 SER N N 89 115.491 115.491 114.727 0.764 17610 11928 1 13 . 1 1 95 95 SER HA H 89 4.188 4.188 4.498 -0.310 17610 11929 1 13 . 1 1 95 95 SER C C 89 175.751 175.751 176.249 -0.498 17610 11930 1 13 . 1 1 95 95 SER CA C 89 61.751 61.751 61.376 0.375 17610 11931 1 13 . 1 1 95 95 SER CB C 89 63.530 63.530 63.072 0.459 17610 11932 1 13 . 1 1 95 95 SER H H 89 7.970 7.970 7.661 0.309 17610 11933 1 13 . 1 1 96 96 PHE N N 90 125.899 125.899 122.160 3.739 17610 11934 1 13 . 1 1 96 96 PHE HA H 90 4.037 4.037 4.216 -0.179 17610 11935 1 13 . 1 1 96 96 PHE C C 90 177.267 177.267 176.842 0.425 17610 11936 1 13 . 1 1 96 96 PHE CA C 90 59.688 59.688 60.754 -1.066 17610 11937 1 13 . 1 1 96 96 PHE CB C 90 40.175 40.175 39.233 0.942 17610 11938 1 13 . 1 1 96 96 PHE H H 90 7.419 7.419 7.712 -0.293 17610 11939 1 13 . 1 1 97 97 GLU N N 91 122.834 122.834 117.835 4.999 17610 11940 1 13 . 1 1 97 97 GLU HA H 91 3.787 3.787 3.794 -0.007 17610 11941 1 13 . 1 1 97 97 GLU C C 91 179.628 179.628 178.228 1.400 17610 11942 1 13 . 1 1 97 97 GLU CA C 91 59.004 59.004 59.110 -0.106 17610 11943 1 13 . 1 1 97 97 GLU CB C 91 29.261 29.261 29.368 -0.107 17610 11944 1 13 . 1 1 97 97 GLU H H 91 8.449 8.449 7.634 0.815 17610 11945 1 13 . 1 1 98 98 ASP N N 92 118.617 118.617 120.559 -1.942 17610 11946 1 13 . 1 1 98 98 ASP HA H 92 4.553 4.553 4.409 0.144 17610 11947 1 13 . 1 1 98 98 ASP C C 92 177.582 177.582 178.657 -1.075 17610 11948 1 13 . 1 1 98 98 ASP CA C 92 56.171 56.171 57.007 -0.836 17610 11949 1 13 . 1 1 98 98 ASP CB C 92 41.184 41.184 40.754 0.430 17610 11950 1 13 . 1 1 98 98 ASP H H 92 8.492 8.492 7.518 0.974 17610 11951 1 13 . 1 1 99 99 ILE N N 93 121.939 121.939 117.777 4.162 17610 11952 1 13 . 1 1 99 99 ILE HA H 93 3.954 3.954 3.940 0.014 17610 11953 1 13 . 1 1 99 99 ILE C C 93 177.442 177.442 177.714 -0.272 17610 11954 1 13 . 1 1 99 99 ILE CA C 93 62.370 62.370 63.272 -0.902 17610 11955 1 13 . 1 1 99 99 ILE CB C 93 34.570 34.570 36.536 -1.966 17610 11956 1 13 . 1 1 99 99 ILE H H 93 7.583 7.583 7.780 -0.197 17610 11957 1 13 . 1 1 100 100 HIS N N 94 118.387 118.387 119.784 -1.397 17610 11958 1 13 . 1 1 100 100 HIS HA H 94 4.273 4.273 4.432 -0.159 17610 11959 1 13 . 1 1 100 100 HIS C C 94 177.345 177.345 177.081 0.264 17610 11960 1 13 . 1 1 100 100 HIS CA C 94 60.090 60.090 59.827 0.263 17610 11961 1 13 . 1 1 100 100 HIS CB C 94 30.512 30.512 30.294 0.217 17610 11962 1 13 . 1 1 100 100 HIS H H 94 7.799 7.799 7.452 0.347 17610 11963 1 13 . 1 1 101 101 GLN N N 95 117.673 117.673 118.568 -0.895 17610 11964 1 13 . 1 1 101 101 GLN HA H 95 3.941 3.941 3.844 0.097 17610 11965 1 13 . 1 1 101 101 GLN C C 95 179.155 179.155 178.393 0.762 17610 11966 1 13 . 1 1 101 101 GLN CA C 95 58.371 58.371 58.315 0.056 17610 11967 1 13 . 1 1 101 101 GLN CB C 95 27.807 27.807 27.855 -0.048 17610 11968 1 13 . 1 1 101 101 GLN H H 95 7.468 7.468 7.679 -0.211 17610 11969 1 13 . 1 1 102 102 TYR N N 96 120.407 120.407 121.018 -0.611 17610 11970 1 13 . 1 1 102 102 TYR HA H 96 4.064 4.064 4.273 -0.209 17610 11971 1 13 . 1 1 102 102 TYR C C 96 177.660 177.660 177.871 -0.211 17610 11972 1 13 . 1 1 102 102 TYR CA C 96 62.847 62.847 60.524 2.323 17610 11973 1 13 . 1 1 102 102 TYR CB C 96 37.795 37.795 38.301 -0.506 17610 11974 1 13 . 1 1 102 102 TYR H H 96 7.600 7.600 8.395 -0.795 17610 11975 1 13 . 1 1 103 103 ARG N N 97 119.974 119.974 119.372 0.602 17610 11976 1 13 . 1 1 103 103 ARG HA H 97 3.616 3.616 3.683 -0.067 17610 11977 1 13 . 1 1 103 103 ARG C C 97 177.618 177.618 178.129 -0.511 17610 11978 1 13 . 1 1 103 103 ARG CA C 97 59.938 59.938 59.399 0.539 17610 11979 1 13 . 1 1 103 103 ARG CB C 97 28.599 28.599 29.486 -0.887 17610 11980 1 13 . 1 1 103 103 ARG H H 97 8.395 8.395 7.780 0.615 17610 11981 1 13 . 1 1 104 104 GLU N N 98 118.351 118.351 117.900 0.451 17610 11982 1 13 . 1 1 104 104 GLU HA H 98 3.781 3.781 3.880 -0.099 17610 11983 1 13 . 1 1 104 104 GLU C C 98 178.982 178.982 178.833 0.149 17610 11984 1 13 . 1 1 104 104 GLU CA C 98 58.900 58.900 59.293 -0.393 17610 11985 1 13 . 1 1 104 104 GLU CB C 98 29.435 29.435 28.922 0.513 17610 11986 1 13 . 1 1 104 104 GLU H H 98 7.970 7.970 7.443 0.527 17610 11987 1 13 . 1 1 105 105 GLN N N 99 121.350 121.350 118.917 2.433 17610 11988 1 13 . 1 1 105 105 GLN HA H 99 3.946 3.946 3.990 -0.044 17610 11989 1 13 . 1 1 105 105 GLN C C 99 177.701 177.701 178.403 -0.702 17610 11990 1 13 . 1 1 105 105 GLN CA C 99 59.037 59.037 58.584 0.453 17610 11991 1 13 . 1 1 105 105 GLN CB C 99 27.938 27.938 28.563 -0.625 17610 11992 1 13 . 1 1 105 105 GLN H H 99 7.907 7.907 7.542 0.365 17610 11993 1 13 . 1 1 106 106 ILE N N 100 121.310 121.310 119.873 1.437 17610 11994 1 13 . 1 1 106 106 ILE HA H 100 3.177 3.177 3.177 -0.000 17610 11995 1 13 . 1 1 106 106 ILE C C 100 177.199 177.199 177.528 -0.329 17610 11996 1 13 . 1 1 106 106 ILE CA C 100 65.682 65.682 65.583 0.099 17610 11997 1 13 . 1 1 106 106 ILE CB C 100 37.874 37.874 37.252 0.622 17610 11998 1 13 . 1 1 106 106 ILE H H 100 7.920 7.920 7.372 0.548 17610 11999 1 13 . 1 1 107 107 LYS N N 101 118.584 118.584 118.299 0.285 17610 12000 1 13 . 1 1 107 107 LYS HA H 101 3.951 3.951 4.144 -0.193 17610 12001 1 13 . 1 1 107 107 LYS C C 101 179.476 179.476 179.241 0.235 17610 12002 1 13 . 1 1 107 107 LYS CA C 101 59.571 59.571 59.284 0.287 17610 12003 1 13 . 1 1 107 107 LYS CB C 101 32.227 32.227 31.960 0.267 17610 12004 1 13 . 1 1 107 107 LYS H H 101 7.782 7.782 7.498 0.284 17610 12005 1 13 . 1 1 108 108 ARG N N 102 119.152 119.152 119.185 -0.033 17610 12006 1 13 . 1 1 108 108 ARG HA H 102 4.082 4.082 4.001 0.081 17610 12007 1 13 . 1 1 108 108 ARG C C 102 179.582 179.582 178.640 0.942 17610 12008 1 13 . 1 1 108 108 ARG CA C 102 58.946 58.946 59.210 -0.264 17610 12009 1 13 . 1 1 108 108 ARG CB C 102 30.097 30.097 30.104 -0.007 17610 12010 1 13 . 1 1 108 108 ARG H H 102 7.777 7.777 7.234 0.543 17610 12011 1 13 . 1 1 109 109 VAL N N 103 119.544 119.544 119.067 0.477 17610 12012 1 13 . 1 1 109 109 VAL HA H 103 3.837 3.837 3.717 0.120 17610 12013 1 13 . 1 1 109 109 VAL C C 103 177.919 177.919 177.754 0.165 17610 12014 1 13 . 1 1 109 109 VAL CA C 103 65.393 65.393 65.618 -0.225 17610 12015 1 13 . 1 1 109 109 VAL CB C 103 31.599 31.599 31.668 -0.069 17610 12016 1 13 . 1 1 109 109 VAL H H 103 8.282 8.282 7.738 0.544 17610 12017 1 13 . 1 1 110 110 LYS N N 104 117.592 117.592 115.090 2.502 17610 12018 1 13 . 1 1 110 110 LYS HA H 104 4.269 4.269 4.211 0.058 17610 12019 1 13 . 1 1 110 110 LYS C C 104 175.878 175.878 177.002 -1.124 17610 12020 1 13 . 1 1 110 110 LYS CA C 104 54.797 54.797 56.650 -1.853 17610 12021 1 13 . 1 1 110 110 LYS CB C 104 30.687 30.687 32.373 -1.686 17610 12022 1 13 . 1 1 110 110 LYS H H 104 8.117 8.117 8.170 -0.053 17610 12023 1 13 . 1 1 111 111 ASP N N 105 122.118 122.118 117.545 4.573 17610 12024 1 13 . 1 1 111 111 ASP HA H 105 4.306 4.306 4.421 -0.115 17610 12025 1 13 . 1 1 111 111 ASP C C 105 174.496 174.496 174.742 -0.246 17610 12026 1 13 . 1 1 111 111 ASP CA C 105 54.442 54.442 55.103 -0.661 17610 12027 1 13 . 1 1 111 111 ASP CB C 105 39.792 39.792 39.460 0.332 17610 12028 1 13 . 1 1 111 111 ASP H H 105 7.958 7.958 7.859 0.099 17610 12029 1 13 . 1 1 112 112 SER N N 106 110.372 110.372 111.695 -1.323 17610 12030 1 13 . 1 1 112 112 SER HA H 106 4.565 4.565 4.780 -0.215 17610 12031 1 13 . 1 1 112 112 SER C C 106 172.985 172.985 173.042 -0.057 17610 12032 1 13 . 1 1 112 112 SER CA C 106 56.779 56.779 57.311 -0.532 17610 12033 1 13 . 1 1 112 112 SER CB C 106 65.259 65.259 66.499 -1.240 17610 12034 1 13 . 1 1 112 112 SER H H 106 7.539 7.539 7.687 -0.148 17610 12035 1 13 . 1 1 113 113 ASP N N 107 123.301 123.301 118.767 4.534 17610 12036 1 13 . 1 1 113 113 ASP HA H 107 4.665 4.665 4.538 0.127 17610 12037 1 13 . 1 1 113 113 ASP C C 107 176.066 176.066 175.553 0.513 17610 12038 1 13 . 1 1 113 113 ASP CA C 107 54.267 54.267 55.051 -0.784 17610 12039 1 13 . 1 1 113 113 ASP CB C 107 41.837 41.837 41.138 0.699 17610 12040 1 13 . 1 1 113 113 ASP H H 107 8.385 8.385 8.681 -0.296 17610 12041 1 13 . 1 1 114 114 ASP N N 108 122.347 122.347 121.370 0.977 17610 12042 1 13 . 1 1 114 114 ASP HA H 108 4.882 4.882 4.920 -0.038 17610 12043 1 13 . 1 1 114 114 ASP C C 108 174.386 174.386 175.561 -1.175 17610 12044 1 13 . 1 1 114 114 ASP CA C 108 53.143 53.143 53.444 -0.301 17610 12045 1 13 . 1 1 114 114 ASP CB C 108 41.323 41.323 40.522 0.801 17610 12046 1 13 . 1 1 114 114 ASP H H 108 8.404 8.404 8.158 0.246 17610 12047 1 13 . 1 1 115 115 VAL N N 109 123.609 123.609 117.675 5.934 17610 12048 1 13 . 1 1 115 115 VAL HA H 109 4.337 4.337 4.414 -0.077 17610 12049 1 13 . 1 1 115 115 VAL CA C 109 58.984 58.984 57.076 1.908 17610 12050 1 13 . 1 1 115 115 VAL CB C 109 34.932 34.932 32.617 2.315 17610 12051 1 13 . 1 1 115 115 VAL H H 109 7.649 7.649 7.553 0.096 17610 12052 1 13 . 1 1 116 116 PRO HA H 110 4.430 4.430 4.451 -0.021 17610 12053 1 13 . 1 1 116 116 PRO C C 110 175.942 175.942 175.909 0.033 17610 12054 1 13 . 1 1 116 116 PRO CA C 110 63.872 63.872 62.792 1.080 17610 12055 1 13 . 1 1 116 116 PRO CB C 110 32.120 32.120 30.403 1.717 17610 12056 1 13 . 1 1 117 117 MET N N 111 124.020 124.020 119.436 4.584 17610 12057 1 13 . 1 1 117 117 MET HA H 111 5.777 5.777 5.472 0.305 17610 12058 1 13 . 1 1 117 117 MET C C 111 173.737 173.737 173.936 -0.199 17610 12059 1 13 . 1 1 117 117 MET CA C 111 55.094 55.094 54.496 0.598 17610 12060 1 13 . 1 1 117 117 MET CB C 111 37.889 37.889 37.080 0.809 17610 12061 1 13 . 1 1 117 117 MET H H 111 8.274 8.274 7.750 0.524 17610 12062 1 13 . 1 1 118 118 VAL N N 112 118.747 118.747 116.428 2.319 17610 12063 1 13 . 1 1 118 118 VAL HA H 112 4.341 4.341 4.557 -0.216 17610 12064 1 13 . 1 1 118 118 VAL C C 112 173.171 173.171 173.649 -0.478 17610 12065 1 13 . 1 1 118 118 VAL CA C 112 60.943 60.943 60.515 0.428 17610 12066 1 13 . 1 1 118 118 VAL CB C 112 37.030 37.030 36.731 0.298 17610 12067 1 13 . 1 1 118 118 VAL H H 112 8.119 8.119 8.485 -0.366 17610 12068 1 13 . 1 1 119 119 LEU N N 113 129.931 129.931 128.439 1.492 17610 12069 1 13 . 1 1 119 119 LEU HA H 113 5.157 5.157 5.096 0.061 17610 12070 1 13 . 1 1 119 119 LEU C C 113 173.496 173.496 175.021 -1.525 17610 12071 1 13 . 1 1 119 119 LEU CA C 113 53.828 53.828 53.353 0.475 17610 12072 1 13 . 1 1 119 119 LEU CB C 113 43.876 43.876 42.866 1.010 17610 12073 1 13 . 1 1 119 119 LEU H H 113 8.918 8.918 8.291 0.627 17610 12074 1 13 . 1 1 120 120 VAL N N 114 129.371 129.371 127.608 1.763 17610 12075 1 13 . 1 1 120 120 VAL HA H 114 5.117 5.117 5.126 -0.009 17610 12076 1 13 . 1 1 120 120 VAL C C 114 173.667 173.667 175.527 -1.860 17610 12077 1 13 . 1 1 120 120 VAL CA C 114 60.124 60.124 59.810 0.314 17610 12078 1 13 . 1 1 120 120 VAL CB C 114 35.225 35.225 33.627 1.598 17610 12079 1 13 . 1 1 120 120 VAL H H 114 9.173 9.173 8.830 0.343 17610 12080 1 13 . 1 1 121 121 GLY N N 115 115.789 115.789 112.873 2.916 17610 12081 1 13 . 1 1 121 121 GLY C C 115 171.603 171.603 173.186 -1.583 17610 12082 1 13 . 1 1 121 121 GLY CA C 115 45.256 45.256 43.332 1.924 17610 12083 1 13 . 1 1 121 121 GLY H H 115 8.046 8.046 8.698 -0.652 17610 12084 1 13 . 1 1 122 122 ASN N N 116 122.349 122.349 123.521 -1.172 17610 12085 1 13 . 1 1 122 122 ASN HA H 116 5.620 5.620 4.597 1.023 17610 12086 1 13 . 1 1 122 122 ASN C C 116 174.732 174.732 175.446 -0.714 17610 12087 1 13 . 1 1 122 122 ASN CA C 116 51.492 51.492 51.815 -0.323 17610 12088 1 13 . 1 1 122 122 ASN CB C 116 41.323 41.323 39.381 1.942 17610 12089 1 13 . 1 1 122 122 ASN H H 116 8.756 8.756 7.928 0.828 17610 12090 1 13 . 1 1 123 123 LYS N N 117 113.297 113.297 115.230 -1.933 17610 12091 1 13 . 1 1 123 123 LYS HA H 117 4.280 4.280 3.924 0.356 17610 12092 1 13 . 1 1 123 123 LYS C C 117 177.324 177.324 175.218 2.106 17610 12093 1 13 . 1 1 123 123 LYS CA C 117 57.273 57.273 57.255 0.018 17610 12094 1 13 . 1 1 123 123 LYS CB C 117 29.775 29.775 29.261 0.514 17610 12095 1 13 . 1 1 123 123 LYS H H 117 7.342 7.342 8.674 -1.332 17610 12096 1 13 . 1 1 124 124 CYS N N 118 115.340 115.340 116.981 -1.641 17610 12097 1 13 . 1 1 124 124 CYS HA H 118 4.292 4.292 4.313 -0.021 17610 12098 1 13 . 1 1 124 124 CYS C C 118 173.325 173.325 175.128 -1.803 17610 12099 1 13 . 1 1 124 124 CYS CA C 118 60.698 60.698 58.782 1.916 17610 12100 1 13 . 1 1 124 124 CYS CB C 118 26.387 26.387 28.412 -2.025 17610 12101 1 13 . 1 1 124 124 CYS H H 118 8.763 8.763 8.459 0.304 17610 12102 1 13 . 1 1 125 125 ASP N N 119 118.603 118.603 120.419 -1.816 17610 12103 1 13 . 1 1 125 125 ASP HA H 119 4.476 4.476 4.558 -0.082 17610 12104 1 13 . 1 1 125 125 ASP C C 119 175.464 175.464 176.629 -1.165 17610 12105 1 13 . 1 1 125 125 ASP CA C 119 53.951 53.951 55.282 -1.331 17610 12106 1 13 . 1 1 125 125 ASP CB C 119 41.323 41.323 41.122 0.201 17610 12107 1 13 . 1 1 125 125 ASP H H 119 8.613 8.613 7.926 0.687 17610 12108 1 13 . 1 1 126 126 LEU N N 120 122.098 122.098 120.783 1.315 17610 12109 1 13 . 1 1 126 126 LEU HA H 120 4.241 4.241 4.114 0.127 17610 12110 1 13 . 1 1 126 126 LEU C C 120 176.420 176.420 176.975 -0.555 17610 12111 1 13 . 1 1 126 126 LEU CA C 120 54.723 54.723 55.023 -0.300 17610 12112 1 13 . 1 1 126 126 LEU CB C 120 41.837 41.837 42.753 -0.916 17610 12113 1 13 . 1 1 126 126 LEU H H 120 7.802 7.802 7.969 -0.167 17610 12114 1 13 . 1 1 127 127 ALA N N 121 123.959 123.959 124.114 -0.155 17610 12115 1 13 . 1 1 127 127 ALA HA H 121 4.214 4.214 4.410 -0.196 17610 12116 1 13 . 1 1 127 127 ALA C C 121 178.717 178.717 176.681 2.036 17610 12117 1 13 . 1 1 127 127 ALA CA C 121 53.179 53.179 52.204 0.975 17610 12118 1 13 . 1 1 127 127 ALA CB C 121 18.871 18.871 18.918 -0.047 17610 12119 1 13 . 1 1 127 127 ALA H H 121 8.160 8.160 8.360 -0.200 17610 12120 1 13 . 1 1 128 128 ALA N N 122 123.078 123.078 122.341 0.737 17610 12121 1 13 . 1 1 128 128 ALA HA H 122 4.524 4.524 4.523 0.001 17610 12122 1 13 . 1 1 128 128 ALA C C 122 175.272 175.272 176.138 -0.866 17610 12123 1 13 . 1 1 128 128 ALA CA C 122 51.259 51.259 51.421 -0.162 17610 12124 1 13 . 1 1 128 128 ALA CB C 122 17.623 17.623 19.485 -1.862 17610 12125 1 13 . 1 1 128 128 ALA H H 122 7.698 7.698 7.694 0.004 17610 12126 1 13 . 1 1 129 129 ARG N N 123 121.454 121.454 122.988 -1.534 17610 12127 1 13 . 1 1 129 129 ARG HA H 123 4.093 4.093 4.397 -0.304 17610 12128 1 13 . 1 1 129 129 ARG C C 123 176.271 176.271 175.495 0.776 17610 12129 1 13 . 1 1 129 129 ARG CA C 123 55.596 55.596 55.977 -0.381 17610 12130 1 13 . 1 1 129 129 ARG CB C 123 32.696 32.696 30.012 2.684 17610 12131 1 13 . 1 1 129 129 ARG H H 123 7.992 7.992 8.175 -0.183 17610 12132 1 13 . 1 1 130 130 THR N N 124 115.617 115.617 117.705 -2.088 17610 12133 1 13 . 1 1 130 130 THR HA H 124 4.564 4.564 4.313 0.251 17610 12134 1 13 . 1 1 130 130 THR C C 124 174.119 174.119 175.658 -1.539 17610 12135 1 13 . 1 1 130 130 THR CA C 124 61.746 61.746 63.657 -1.911 17610 12136 1 13 . 1 1 130 130 THR CB C 124 69.094 69.094 69.520 -0.426 17610 12137 1 13 . 1 1 130 130 THR H H 124 9.145 9.145 8.375 0.770 17610 12138 1 13 . 1 1 131 131 VAL N N 125 125.688 125.688 125.311 0.377 17610 12139 1 13 . 1 1 131 131 VAL HA H 125 4.015 4.015 4.183 -0.168 17610 12140 1 13 . 1 1 131 131 VAL C C 125 175.658 175.658 175.116 0.542 17610 12141 1 13 . 1 1 131 131 VAL CA C 125 61.373 61.373 61.734 -0.361 17610 12142 1 13 . 1 1 131 131 VAL CB C 125 33.147 33.147 30.833 2.314 17610 12143 1 13 . 1 1 131 131 VAL H H 125 7.618 7.618 8.125 -0.507 17610 12144 1 13 . 1 1 132 132 GLU N N 126 128.319 128.319 126.923 1.396 17610 12145 1 13 . 1 1 132 132 GLU HA H 126 4.228 4.228 4.199 0.029 17610 12146 1 13 . 1 1 132 132 GLU C C 126 177.986 177.986 177.168 0.818 17610 12147 1 13 . 1 1 132 132 GLU CA C 126 56.323 56.323 56.385 -0.062 17610 12148 1 13 . 1 1 132 132 GLU CB C 126 30.158 30.158 30.240 -0.082 17610 12149 1 13 . 1 1 132 132 GLU H H 126 8.727 8.727 7.924 0.803 17610 12150 1 13 . 1 1 133 133 SER N N 127 122.970 122.970 117.452 5.518 17610 12151 1 13 . 1 1 133 133 SER HA H 127 4.074 4.074 4.158 -0.084 17610 12152 1 13 . 1 1 133 133 SER C C 127 176.633 176.633 176.211 0.422 17610 12153 1 13 . 1 1 133 133 SER CA C 127 62.598 62.598 61.294 1.304 17610 12154 1 13 . 1 1 133 133 SER CB C 127 62.511 62.511 63.117 -0.606 17610 12155 1 13 . 1 1 133 133 SER H H 127 9.421 9.421 8.784 0.637 17610 12156 1 13 . 1 1 134 134 ARG N N 128 119.141 119.141 120.205 -1.064 17610 12157 1 13 . 1 1 134 134 ARG HA H 128 4.028 4.028 4.028 0.000 17610 12158 1 13 . 1 1 134 134 ARG C C 128 177.739 177.739 178.540 -0.801 17610 12159 1 13 . 1 1 134 134 ARG CA C 128 58.785 58.785 59.474 -0.689 17610 12160 1 13 . 1 1 134 134 ARG CB C 128 29.752 29.752 29.540 0.213 17610 12161 1 13 . 1 1 134 134 ARG H H 128 8.675 8.675 8.485 0.190 17610 12162 1 13 . 1 1 135 135 GLN N N 129 118.050 118.050 118.378 -0.328 17610 12163 1 13 . 1 1 135 135 GLN HA H 129 4.091 4.091 4.027 0.064 17610 12164 1 13 . 1 1 135 135 GLN C C 129 179.009 179.009 178.273 0.736 17610 12165 1 13 . 1 1 135 135 GLN CA C 129 58.389 58.389 58.656 -0.267 17610 12166 1 13 . 1 1 135 135 GLN CB C 129 28.916 28.916 28.029 0.887 17610 12167 1 13 . 1 1 135 135 GLN H H 129 6.796 6.796 7.765 -0.969 17610 12168 1 13 . 1 1 136 136 ALA N N 130 124.769 124.769 121.018 3.751 17610 12169 1 13 . 1 1 136 136 ALA HA H 130 3.933 3.933 3.901 0.032 17610 12170 1 13 . 1 1 136 136 ALA C C 130 178.155 178.155 179.286 -1.131 17610 12171 1 13 . 1 1 136 136 ALA CA C 130 54.760 54.760 54.679 0.081 17610 12172 1 13 . 1 1 136 136 ALA CB C 130 18.546 18.546 17.877 0.669 17610 12173 1 13 . 1 1 136 136 ALA H H 130 7.017 7.017 7.334 -0.317 17610 12174 1 13 . 1 1 137 137 GLN N N 131 119.215 119.215 118.318 0.897 17610 12175 1 13 . 1 1 137 137 GLN HA H 131 3.720 3.720 3.825 -0.105 17610 12176 1 13 . 1 1 137 137 GLN C C 131 179.387 179.387 178.067 1.320 17610 12177 1 13 . 1 1 137 137 GLN CA C 131 58.815 58.815 59.425 -0.611 17610 12178 1 13 . 1 1 137 137 GLN CB C 131 28.503 28.503 28.683 -0.180 17610 12179 1 13 . 1 1 137 137 GLN H H 131 8.602 8.602 8.112 0.490 17610 12180 1 13 . 1 1 138 138 ASP N N 132 121.298 121.298 120.372 0.926 17610 12181 1 13 . 1 1 138 138 ASP HA H 132 4.371 4.371 4.372 -0.001 17610 12182 1 13 . 1 1 138 138 ASP C C 132 178.855 178.855 178.355 0.500 17610 12183 1 13 . 1 1 138 138 ASP CA C 132 57.425 57.425 56.930 0.495 17610 12184 1 13 . 1 1 138 138 ASP CB C 132 40.860 40.860 40.696 0.164 17610 12185 1 13 . 1 1 138 138 ASP H H 132 8.203 8.203 8.429 -0.226 17610 12186 1 13 . 1 1 139 139 LEU N N 133 124.786 124.786 120.254 4.532 17610 12187 1 13 . 1 1 139 139 LEU HA H 133 3.888 3.888 4.022 -0.134 17610 12188 1 13 . 1 1 139 139 LEU C C 133 178.953 178.953 177.775 1.178 17610 12189 1 13 . 1 1 139 139 LEU CA C 133 57.827 57.827 57.364 0.463 17610 12190 1 13 . 1 1 139 139 LEU CB C 133 41.837 41.837 41.826 0.011 17610 12191 1 13 . 1 1 139 139 LEU H H 133 7.485 7.485 7.374 0.111 17610 12192 1 13 . 1 1 140 140 ALA N N 134 123.038 123.038 122.126 0.912 17610 12193 1 13 . 1 1 140 140 ALA HA H 134 3.783 3.783 3.994 -0.211 17610 12194 1 13 . 1 1 140 140 ALA C C 134 179.902 179.902 179.260 0.642 17610 12195 1 13 . 1 1 140 140 ALA CA C 134 55.832 55.832 55.504 0.328 17610 12196 1 13 . 1 1 140 140 ALA CB C 134 18.120 18.120 18.286 -0.166 17610 12197 1 13 . 1 1 140 140 ALA H H 134 8.426 8.426 7.906 0.520 17610 12198 1 13 . 1 1 141 141 ARG N N 135 119.537 119.537 117.304 2.233 17610 12199 1 13 . 1 1 141 141 ARG HA H 135 4.194 4.194 4.017 0.177 17610 12200 1 13 . 1 1 141 141 ARG C C 135 180.037 180.037 178.520 1.517 17610 12201 1 13 . 1 1 141 141 ARG CA C 135 59.331 59.331 59.132 0.199 17610 12202 1 13 . 1 1 141 141 ARG CB C 135 29.864 29.864 30.190 -0.326 17610 12203 1 13 . 1 1 141 141 ARG H H 135 8.459 8.459 8.459 0.000 17610 12204 1 13 . 1 1 142 142 SER N N 136 118.958 118.958 114.070 4.888 17610 12205 1 13 . 1 1 142 142 SER HA H 136 4.277 4.277 4.214 0.063 17610 12206 1 13 . 1 1 142 142 SER C C 136 176.127 176.127 176.277 -0.150 17610 12207 1 13 . 1 1 142 142 SER CA C 136 61.509 61.509 60.598 0.911 17610 12208 1 13 . 1 1 142 142 SER CB C 136 62.529 62.529 63.067 -0.538 17610 12209 1 13 . 1 1 142 142 SER H H 136 7.944 7.944 7.284 0.660 17610 12210 1 13 . 1 1 143 143 TYR N N 137 121.309 121.309 119.171 2.138 17610 12211 1 13 . 1 1 143 143 TYR HA H 137 4.907 4.907 4.330 0.577 17610 12212 1 13 . 1 1 143 143 TYR C C 137 176.279 176.279 176.332 -0.053 17610 12213 1 13 . 1 1 143 143 TYR CA C 137 54.737 54.737 58.004 -3.267 17610 12214 1 13 . 1 1 143 143 TYR CB C 137 38.830 38.830 38.680 0.150 17610 12215 1 13 . 1 1 143 143 TYR H H 137 7.623 7.623 7.492 0.131 17610 12216 1 13 . 1 1 144 144 GLY N N 138 112.193 112.193 106.565 5.628 17610 12217 1 13 . 1 1 144 144 GLY C C 138 175.077 175.077 174.400 0.677 17610 12218 1 13 . 1 1 144 144 GLY CA C 138 46.439 46.439 45.292 1.147 17610 12219 1 13 . 1 1 144 144 GLY H H 138 8.328 8.328 7.626 0.702 17610 12220 1 13 . 1 1 145 145 ILE N N 139 114.227 114.227 116.784 -2.557 17610 12221 1 13 . 1 1 145 145 ILE HA H 139 5.241 5.241 4.793 0.448 17610 12222 1 13 . 1 1 145 145 ILE CA C 139 58.420 58.420 57.749 0.671 17610 12223 1 13 . 1 1 145 145 ILE CB C 139 38.543 38.543 38.484 0.059 17610 12224 1 13 . 1 1 145 145 ILE H H 139 8.059 8.059 7.474 0.585 17610 12225 1 13 . 1 1 146 146 PRO HA H 140 4.627 4.627 4.518 0.109 17610 12226 1 13 . 1 1 146 146 PRO C C 140 174.570 174.570 175.290 -0.720 17610 12227 1 13 . 1 1 146 146 PRO CA C 140 62.362 62.362 62.433 -0.071 17610 12228 1 13 . 1 1 146 146 PRO CB C 140 33.057 33.057 32.492 0.565 17610 12229 1 13 . 1 1 147 147 TYR N N 141 121.135 121.135 122.581 -1.446 17610 12230 1 13 . 1 1 147 147 TYR HA H 141 5.997 5.997 5.358 0.639 17610 12231 1 13 . 1 1 147 147 TYR C C 141 174.492 174.492 174.602 -0.110 17610 12232 1 13 . 1 1 147 147 TYR CA C 141 54.912 54.912 56.264 -1.352 17610 12233 1 13 . 1 1 147 147 TYR CB C 141 40.972 40.972 40.485 0.487 17610 12234 1 13 . 1 1 147 147 TYR H H 141 8.252 8.252 8.409 -0.157 17610 12235 1 13 . 1 1 148 148 ILE N N 142 131.362 131.362 128.908 2.454 17610 12236 1 13 . 1 1 148 148 ILE HA H 142 3.948 3.948 4.192 -0.244 17610 12237 1 13 . 1 1 148 148 ILE C C 142 172.977 172.977 174.062 -1.085 17610 12238 1 13 . 1 1 148 148 ILE CA C 142 59.383 59.383 59.820 -0.437 17610 12239 1 13 . 1 1 148 148 ILE CB C 142 42.260 42.260 41.900 0.360 17610 12240 1 13 . 1 1 148 148 ILE H H 142 8.495 8.495 8.308 0.187 17610 12241 1 13 . 1 1 149 149 GLU N N 143 125.874 125.874 123.615 2.259 17610 12242 1 13 . 1 1 149 149 GLU HA H 143 4.788 4.788 4.665 0.123 17610 12243 1 13 . 1 1 149 149 GLU C C 143 176.128 176.128 175.462 0.666 17610 12244 1 13 . 1 1 149 149 GLU CA C 143 55.647 55.647 55.008 0.639 17610 12245 1 13 . 1 1 149 149 GLU CB C 143 29.727 29.727 31.823 -2.096 17610 12246 1 13 . 1 1 149 149 GLU H H 143 7.827 7.827 8.492 -0.665 17610 12247 1 13 . 1 1 150 150 THR N N 144 113.629 113.629 113.060 0.569 17610 12248 1 13 . 1 1 150 150 THR HA H 144 5.081 5.081 5.182 -0.101 17610 12249 1 13 . 1 1 150 150 THR C C 144 176.136 176.136 173.388 2.748 17610 12250 1 13 . 1 1 150 150 THR CA C 144 59.464 59.464 59.754 -0.290 17610 12251 1 13 . 1 1 150 150 THR CB C 144 73.639 73.639 71.757 1.883 17610 12252 1 13 . 1 1 150 150 THR H H 144 8.800 8.800 8.446 0.354 17610 12253 1 13 . 1 1 151 151 SER N N 145 113.706 113.706 116.018 -2.312 17610 12254 1 13 . 1 1 151 151 SER HA H 145 4.883 4.883 4.748 0.135 17610 12255 1 13 . 1 1 151 151 SER C C 145 175.707 175.707 173.925 1.782 17610 12256 1 13 . 1 1 151 151 SER CA C 145 57.438 57.438 57.279 0.159 17610 12257 1 13 . 1 1 151 151 SER CB C 145 64.470 64.470 65.105 -0.635 17610 12258 1 13 . 1 1 151 151 SER H H 145 8.807 8.807 8.257 0.550 17610 12259 1 13 . 1 1 152 152 ALA N N 146 133.500 133.500 129.709 3.791 17610 12260 1 13 . 1 1 152 152 ALA HA H 146 3.890 3.890 4.013 -0.123 17610 12261 1 13 . 1 1 152 152 ALA C C 146 175.632 175.632 177.686 -2.054 17610 12262 1 13 . 1 1 152 152 ALA CA C 146 54.416 54.416 54.903 -0.487 17610 12263 1 13 . 1 1 152 152 ALA CB C 146 18.605 18.605 18.605 0.000 17610 12264 1 13 . 1 1 152 152 ALA H H 146 9.134 9.134 8.653 0.481 17610 12265 1 13 . 1 1 153 153 LYS N N 147 117.223 117.223 117.235 -0.012 17610 12266 1 13 . 1 1 153 153 LYS HA H 147 2.616 2.616 4.641 -2.025 17610 12267 1 13 . 1 1 153 153 LYS C C 147 177.045 177.045 177.311 -0.266 17610 12268 1 13 . 1 1 153 153 LYS CA C 147 58.119 58.119 59.044 -0.925 17610 12269 1 13 . 1 1 153 153 LYS CB C 147 33.956 33.956 32.361 1.595 17610 12270 1 13 . 1 1 153 153 LYS H H 147 7.042 7.042 8.396 -1.354 17610 12271 1 13 . 1 1 154 154 THR N N 148 107.404 107.404 108.361 -0.957 17610 12272 1 13 . 1 1 154 154 THR HA H 148 4.157 4.157 4.217 -0.060 17610 12273 1 13 . 1 1 154 154 THR C C 148 175.979 175.979 174.898 1.081 17610 12274 1 13 . 1 1 154 154 THR CA C 148 61.489 61.489 63.191 -1.702 17610 12275 1 13 . 1 1 154 154 THR CB C 148 69.911 69.911 68.759 1.152 17610 12276 1 13 . 1 1 154 154 THR H H 148 7.721 7.721 7.898 -0.177 17610 12277 1 13 . 1 1 155 155 ARG N N 149 119.268 119.268 120.547 -1.279 17610 12278 1 13 . 1 1 155 155 ARG HA H 149 3.476 3.476 3.946 -0.470 17610 12279 1 13 . 1 1 155 155 ARG C C 149 175.481 175.481 173.977 1.504 17610 12280 1 13 . 1 1 155 155 ARG CA C 149 59.653 59.653 56.913 2.740 17610 12281 1 13 . 1 1 155 155 ARG CB C 149 30.445 30.445 28.338 2.107 17610 12282 1 13 . 1 1 155 155 ARG H H 149 7.814 7.814 8.045 -0.231 17610 12283 1 13 . 1 1 156 156 GLN N N 150 125.391 125.391 122.307 3.084 17610 12284 1 13 . 1 1 156 156 GLN HA H 150 4.065 4.065 4.490 -0.425 17610 12285 1 13 . 1 1 156 156 GLN C C 150 177.007 177.007 175.926 1.081 17610 12286 1 13 . 1 1 156 156 GLN CA C 150 57.433 57.433 55.154 2.279 17610 12287 1 13 . 1 1 156 156 GLN CB C 150 28.472 28.472 30.984 -2.512 17610 12288 1 13 . 1 1 156 156 GLN H H 150 7.833 7.833 7.584 0.249 17610 12289 1 13 . 1 1 157 157 GLY N N 151 116.380 116.380 114.445 1.935 17610 12290 1 13 . 1 1 157 157 GLY C C 151 173.581 173.581 174.937 -1.356 17610 12291 1 13 . 1 1 157 157 GLY CA C 151 46.945 46.945 46.489 0.456 17610 12292 1 13 . 1 1 157 157 GLY H H 151 8.936 8.936 9.025 -0.089 17610 12293 1 13 . 1 1 158 158 VAL N N 152 121.822 121.822 119.678 2.144 17610 12294 1 13 . 1 1 158 158 VAL HA H 152 3.221 3.221 3.583 -0.362 17610 12295 1 13 . 1 1 158 158 VAL C C 152 177.006 177.006 177.961 -0.955 17610 12296 1 13 . 1 1 158 158 VAL CA C 152 68.314 68.314 65.897 2.417 17610 12297 1 13 . 1 1 158 158 VAL CB C 152 31.473 31.473 31.444 0.029 17610 12298 1 13 . 1 1 158 158 VAL H H 152 7.099 7.099 8.080 -0.981 17610 12299 1 13 . 1 1 159 159 GLU N N 153 118.087 118.087 118.732 -0.645 17610 12300 1 13 . 1 1 159 159 GLU HA H 153 3.305 3.305 4.121 -0.816 17610 12301 1 13 . 1 1 159 159 GLU C C 153 177.163 177.163 178.515 -1.352 17610 12302 1 13 . 1 1 159 159 GLU CA C 153 60.407 60.407 60.225 0.182 17610 12303 1 13 . 1 1 159 159 GLU CB C 153 28.787 28.787 28.494 0.293 17610 12304 1 13 . 1 1 159 159 GLU H H 153 8.271 8.271 8.777 -0.506 17610 12305 1 13 . 1 1 160 160 ASP N N 154 117.624 117.624 119.298 -1.674 17610 12306 1 13 . 1 1 160 160 ASP HA H 154 4.205 4.205 4.300 -0.095 17610 12307 1 13 . 1 1 160 160 ASP C C 154 179.366 179.366 178.283 1.083 17610 12308 1 13 . 1 1 160 160 ASP CA C 154 57.288 57.288 57.315 -0.027 17610 12309 1 13 . 1 1 160 160 ASP CB C 154 40.040 40.040 40.468 -0.427 17610 12310 1 13 . 1 1 160 160 ASP H H 154 8.145 8.145 8.248 -0.103 17610 12311 1 13 . 1 1 161 161 ALA N N 155 125.270 125.270 120.967 4.303 17610 12312 1 13 . 1 1 161 161 ALA HA H 155 3.749 3.749 4.062 -0.313 17610 12313 1 13 . 1 1 161 161 ALA C C 155 177.684 177.684 179.764 -2.080 17610 12314 1 13 . 1 1 161 161 ALA CA C 155 56.295 56.295 54.652 1.643 17610 12315 1 13 . 1 1 161 161 ALA CB C 155 17.397 17.397 18.361 -0.964 17610 12316 1 13 . 1 1 161 161 ALA H H 155 8.603 8.603 7.479 1.124 17610 12317 1 13 . 1 1 162 162 PHE N N 156 113.772 113.772 119.018 -5.246 17610 12318 1 13 . 1 1 162 162 PHE HA H 156 3.912 3.912 4.214 -0.302 17610 12319 1 13 . 1 1 162 162 PHE C C 156 177.975 177.975 177.913 0.062 17610 12320 1 13 . 1 1 162 162 PHE CA C 156 62.851 62.851 62.176 0.675 17610 12321 1 13 . 1 1 162 162 PHE CB C 156 39.472 39.472 38.963 0.509 17610 12322 1 13 . 1 1 162 162 PHE H H 156 7.236 7.236 7.479 -0.243 17610 12323 1 13 . 1 1 163 163 TYR N N 157 120.499 120.499 117.607 2.892 17610 12324 1 13 . 1 1 163 163 TYR HA H 157 4.355 4.355 4.189 0.166 17610 12325 1 13 . 1 1 163 163 TYR C C 157 179.097 179.097 178.206 0.891 17610 12326 1 13 . 1 1 163 163 TYR CA C 157 58.309 58.309 60.123 -1.814 17610 12327 1 13 . 1 1 163 163 TYR CB C 157 35.012 35.012 37.411 -2.399 17610 12328 1 13 . 1 1 163 163 TYR H H 157 9.573 9.573 9.189 0.384 17610 12329 1 13 . 1 1 164 164 THR N N 158 118.206 118.206 115.888 2.318 17610 12330 1 13 . 1 1 164 164 THR HA H 158 3.903 3.903 3.986 -0.083 17610 12331 1 13 . 1 1 164 164 THR C C 158 175.656 175.656 176.467 -0.811 17610 12332 1 13 . 1 1 164 164 THR CA C 158 67.484 67.484 66.356 1.129 17610 12333 1 13 . 1 1 164 164 THR CB C 158 67.819 67.819 68.256 -0.437 17610 12334 1 13 . 1 1 164 164 THR H H 158 8.538 8.538 7.888 0.650 17610 12335 1 13 . 1 1 165 165 LEU N N 159 122.864 122.864 121.903 0.961 17610 12336 1 13 . 1 1 165 165 LEU HA H 159 3.871 3.871 4.014 -0.143 17610 12337 1 13 . 1 1 165 165 LEU C C 159 177.513 177.513 178.063 -0.550 17610 12338 1 13 . 1 1 165 165 LEU CA C 159 57.991 57.991 57.924 0.067 17610 12339 1 13 . 1 1 165 165 LEU CB C 159 40.181 40.181 40.892 -0.711 17610 12340 1 13 . 1 1 165 165 LEU H H 159 7.232 7.232 7.675 -0.443 17610 12341 1 13 . 1 1 166 166 VAL N N 160 120.322 120.322 118.429 1.893 17610 12342 1 13 . 1 1 166 166 VAL HA H 160 3.045 3.045 3.230 -0.185 17610 12343 1 13 . 1 1 166 166 VAL C C 160 177.474 177.474 178.208 -0.734 17610 12344 1 13 . 1 1 166 166 VAL CA C 160 67.389 67.389 65.925 1.464 17610 12345 1 13 . 1 1 166 166 VAL CB C 160 30.944 30.944 30.317 0.628 17610 12346 1 13 . 1 1 166 166 VAL H H 160 7.517 7.517 7.376 0.141 17610 12347 1 13 . 1 1 167 167 ARG N N 161 120.151 120.151 118.312 1.839 17610 12348 1 13 . 1 1 167 167 ARG HA H 161 3.772 3.772 3.865 -0.093 17610 12349 1 13 . 1 1 167 167 ARG C C 161 179.030 179.030 178.836 0.194 17610 12350 1 13 . 1 1 167 167 ARG CA C 161 60.935 60.935 60.114 0.821 17610 12351 1 13 . 1 1 167 167 ARG CB C 161 29.586 29.586 29.706 -0.120 17610 12352 1 13 . 1 1 167 167 ARG H H 161 8.044 8.044 7.487 0.557 17610 12353 1 13 . 1 1 168 168 GLU N N 162 119.201 119.201 119.367 -0.166 17610 12354 1 13 . 1 1 168 168 GLU HA H 162 4.050 4.050 4.273 -0.223 17610 12355 1 13 . 1 1 168 168 GLU C C 162 179.805 179.805 179.232 0.573 17610 12356 1 13 . 1 1 168 168 GLU CA C 162 58.867 58.867 59.013 -0.146 17610 12357 1 13 . 1 1 168 168 GLU CB C 162 30.330 30.330 29.577 0.753 17610 12358 1 13 . 1 1 168 168 GLU H H 162 8.171 8.171 7.593 0.578 17610 12359 1 13 . 1 1 169 169 ILE N N 163 123.244 123.244 120.134 3.110 17610 12360 1 13 . 1 1 169 169 ILE HA H 163 3.583 3.583 3.867 -0.284 17610 12361 1 13 . 1 1 169 169 ILE C C 163 178.906 178.906 178.304 0.602 17610 12362 1 13 . 1 1 169 169 ILE CA C 163 66.023 66.023 64.897 1.126 17610 12363 1 13 . 1 1 169 169 ILE CB C 163 38.204 38.204 37.687 0.517 17610 12364 1 13 . 1 1 169 169 ILE H H 163 8.174 8.174 7.859 0.315 17610 12365 1 13 . 1 1 170 170 ARG N N 164 119.842 119.842 119.657 0.185 17610 12366 1 13 . 1 1 170 170 ARG HA H 164 4.140 4.140 4.058 0.082 17610 12367 1 13 . 1 1 170 170 ARG C C 164 177.532 177.532 178.590 -1.058 17610 12368 1 13 . 1 1 170 170 ARG CA C 164 58.944 58.944 59.202 -0.258 17610 12369 1 13 . 1 1 170 170 ARG CB C 164 31.206 31.206 30.149 1.056 17610 12370 1 13 . 1 1 170 170 ARG H H 164 8.405 8.405 8.143 0.262 17610 12371 1 13 . 1 1 171 171 GLN N N 165 116.762 116.762 116.468 0.294 17610 12372 1 13 . 1 1 171 171 GLN HA H 165 4.343 4.343 4.166 0.177 17610 12373 1 13 . 1 1 171 171 GLN C C 165 175.218 175.218 176.938 -1.720 17610 12374 1 13 . 1 1 171 171 GLN CA C 165 56.100 56.100 57.474 -1.374 17610 12375 1 13 . 1 1 171 171 GLN CB C 165 29.236 29.236 28.919 0.317 17610 12376 1 13 . 1 1 171 171 GLN H H 165 7.646 7.646 7.839 -0.193 17610 12377 1 14 . 1 1 8 8 THR N N 2 124.188 124.188 117.582 6.606 17610 12378 1 14 . 1 1 8 8 THR HA H 2 3.983 3.983 4.387 -0.404 17610 12379 1 14 . 1 1 8 8 THR C C 2 171.971 171.971 173.224 -1.253 17610 12380 1 14 . 1 1 8 8 THR CA C 2 63.551 63.551 62.060 1.491 17610 12381 1 14 . 1 1 8 8 THR CB C 2 69.619 69.619 70.093 -0.474 17610 12382 1 14 . 1 1 8 8 THR H H 2 8.667 8.667 8.402 0.265 17610 12383 1 14 . 1 1 9 9 GLU N N 3 127.895 127.895 124.495 3.400 17610 12384 1 14 . 1 1 9 9 GLU HA H 3 5.280 5.280 4.359 0.921 17610 12385 1 14 . 1 1 9 9 GLU C C 3 175.089 175.089 174.883 0.206 17610 12386 1 14 . 1 1 9 9 GLU CA C 3 53.636 53.636 55.892 -2.256 17610 12387 1 14 . 1 1 9 9 GLU CB C 3 32.029 32.029 31.279 0.750 17610 12388 1 14 . 1 1 9 9 GLU H H 3 8.316 8.316 8.455 -0.139 17610 12389 1 14 . 1 1 10 10 TYR N N 4 123.375 123.375 124.253 -0.878 17610 12390 1 14 . 1 1 10 10 TYR HA H 4 5.131 5.131 4.669 0.462 17610 12391 1 14 . 1 1 10 10 TYR C C 4 174.621 174.621 174.885 -0.264 17610 12392 1 14 . 1 1 10 10 TYR CA C 4 56.649 56.649 57.033 -0.384 17610 12393 1 14 . 1 1 10 10 TYR CB C 4 41.323 41.323 40.324 0.999 17610 12394 1 14 . 1 1 10 10 TYR H H 4 8.739 8.739 7.979 0.760 17610 12395 1 14 . 1 1 11 11 LYS N N 5 125.147 125.147 126.428 -1.281 17610 12396 1 14 . 1 1 11 11 LYS HA H 5 5.168 5.168 4.515 0.653 17610 12397 1 14 . 1 1 11 11 LYS C C 5 175.291 175.291 175.635 -0.344 17610 12398 1 14 . 1 1 11 11 LYS CA C 5 55.145 55.145 55.785 -0.640 17610 12399 1 14 . 1 1 11 11 LYS CB C 5 32.225 32.225 32.187 0.038 17610 12400 1 14 . 1 1 11 11 LYS H H 5 9.142 9.142 8.628 0.514 17610 12401 1 14 . 1 1 12 12 LEU N N 6 127.306 127.306 127.316 -0.010 17610 12402 1 14 . 1 1 12 12 LEU HA H 6 4.970 4.970 4.344 0.626 17610 12403 1 14 . 1 1 12 12 LEU C C 6 175.298 175.298 175.138 0.160 17610 12404 1 14 . 1 1 12 12 LEU CA C 6 52.743 52.743 53.602 -0.859 17610 12405 1 14 . 1 1 12 12 LEU CB C 6 43.063 43.063 40.794 2.269 17610 12406 1 14 . 1 1 12 12 LEU H H 6 9.150 9.150 8.525 0.625 17610 12407 1 14 . 1 1 13 13 VAL N N 7 123.170 123.170 127.498 -4.328 17610 12408 1 14 . 1 1 13 13 VAL HA H 7 4.827 4.827 4.133 0.694 17610 12409 1 14 . 1 1 13 13 VAL C C 7 174.230 174.230 175.424 -1.194 17610 12410 1 14 . 1 1 13 13 VAL CB C 7 34.048 34.048 30.907 3.141 17610 12411 1 14 . 1 1 13 13 VAL H H 7 8.113 8.113 7.867 0.246 17610 12412 1 14 . 1 1 14 14 VAL N N 8 129.854 129.854 128.599 1.255 17610 12413 1 14 . 1 1 14 14 VAL HA H 8 4.669 4.669 4.263 0.406 17610 12414 1 14 . 1 1 14 14 VAL C C 8 175.377 175.377 175.596 -0.219 17610 12415 1 14 . 1 1 14 14 VAL CA C 8 61.935 61.935 61.959 -0.024 17610 12416 1 14 . 1 1 14 14 VAL CB C 8 32.496 32.496 32.295 0.201 17610 12417 1 14 . 1 1 14 14 VAL H H 8 8.707 8.707 8.095 0.612 17610 12418 1 14 . 1 1 15 15 VAL N N 9 121.835 121.835 118.869 2.966 17610 12419 1 14 . 1 1 15 15 VAL HA H 9 4.616 4.616 4.576 0.040 17610 12420 1 14 . 1 1 15 15 VAL C C 9 172.824 172.824 174.451 -1.627 17610 12421 1 14 . 1 1 15 15 VAL CA C 9 58.963 58.963 58.808 0.155 17610 12422 1 14 . 1 1 15 15 VAL CB C 9 35.405 35.405 34.070 1.335 17610 12423 1 14 . 1 1 15 15 VAL H H 9 9.107 9.107 7.747 1.360 17610 12424 1 14 . 1 1 16 16 GLY N N 10 109.233 109.233 105.511 3.722 17610 12425 1 14 . 1 1 16 16 GLY C C 10 172.504 172.504 172.790 -0.286 17610 12426 1 14 . 1 1 16 16 GLY CA C 10 43.848 43.848 45.124 -1.276 17610 12427 1 14 . 1 1 16 16 GLY H H 10 7.394 7.394 7.792 -0.398 17610 12428 1 14 . 1 1 17 17 ALA N N 11 123.120 123.120 123.593 -0.473 17610 12429 1 14 . 1 1 17 17 ALA HA H 11 4.547 4.547 4.820 -0.273 17610 12430 1 14 . 1 1 17 17 ALA C C 11 177.371 177.371 178.032 -0.661 17610 12431 1 14 . 1 1 17 17 ALA CA C 11 52.236 52.236 51.601 0.635 17610 12432 1 14 . 1 1 17 17 ALA CB C 11 19.807 19.807 19.066 0.741 17610 12433 1 14 . 1 1 17 17 ALA H H 11 9.054 9.054 8.908 0.146 17610 12434 1 14 . 1 1 18 18 GLY N N 12 107.391 107.391 106.266 1.125 17610 12435 1 14 . 1 1 18 18 GLY C C 12 176.858 176.858 174.247 2.611 17610 12436 1 14 . 1 1 18 18 GLY CA C 12 46.465 46.465 45.560 0.905 17610 12437 1 14 . 1 1 18 18 GLY H H 12 8.694 8.694 8.271 0.423 17610 12438 1 14 . 1 1 19 19 GLY N N 13 114.596 114.596 106.072 8.524 17610 12439 1 14 . 1 1 19 19 GLY C C 13 174.661 174.661 174.799 -0.138 17610 12440 1 14 . 1 1 19 19 GLY CA C 13 46.545 46.545 44.867 1.678 17610 12441 1 14 . 1 1 19 19 GLY H H 13 8.916 8.916 8.141 0.775 17610 12442 1 14 . 1 1 20 20 VAL N N 14 113.376 113.376 115.555 -2.179 17610 12443 1 14 . 1 1 20 20 VAL HA H 14 4.008 4.008 4.359 -0.351 17610 12444 1 14 . 1 1 20 20 VAL C C 14 174.469 174.469 176.256 -1.787 17610 12445 1 14 . 1 1 20 20 VAL CA C 14 62.825 62.825 61.110 1.715 17610 12446 1 14 . 1 1 20 20 VAL CB C 14 31.740 31.740 32.746 -1.006 17610 12447 1 14 . 1 1 20 20 VAL H H 14 7.427 7.427 7.932 -0.505 17610 12448 1 14 . 1 1 21 21 GLY N N 15 109.392 109.392 108.423 0.969 17610 12449 1 14 . 1 1 21 21 GLY C C 15 173.254 173.254 175.074 -1.820 17610 12450 1 14 . 1 1 21 21 GLY CA C 15 45.708 45.708 45.546 0.162 17610 12451 1 14 . 1 1 21 21 GLY H H 15 8.388 8.388 8.543 -0.155 17610 12452 1 14 . 1 1 22 22 LYS N N 16 124.844 124.844 119.679 5.165 17610 12453 1 14 . 1 1 22 22 LYS HA H 16 3.537 3.537 4.049 -0.512 17610 12454 1 14 . 1 1 22 22 LYS C C 16 179.106 179.106 177.310 1.796 17610 12455 1 14 . 1 1 22 22 LYS CA C 16 60.990 60.990 58.530 2.460 17610 12456 1 14 . 1 1 22 22 LYS CB C 16 29.967 29.967 31.770 -1.803 17610 12457 1 14 . 1 1 22 22 LYS H H 16 9.097 9.097 8.457 0.640 17610 12458 1 14 . 1 1 23 23 SER N N 17 121.228 121.228 114.885 6.343 17610 12459 1 14 . 1 1 23 23 SER HA H 17 4.292 4.292 4.460 -0.168 17610 12460 1 14 . 1 1 23 23 SER C C 17 175.697 175.697 176.509 -0.812 17610 12461 1 14 . 1 1 23 23 SER CA C 17 61.346 61.346 60.598 0.748 17610 12462 1 14 . 1 1 23 23 SER CB C 17 61.337 61.337 62.806 -1.469 17610 12463 1 14 . 1 1 23 23 SER H H 17 9.546 9.546 8.279 1.267 17610 12464 1 14 . 1 1 24 24 ALA N N 18 126.557 126.557 124.508 2.049 17610 12465 1 14 . 1 1 24 24 ALA HA H 18 3.946 3.946 4.035 -0.089 17610 12466 1 14 . 1 1 24 24 ALA C C 18 181.834 181.834 179.775 2.059 17610 12467 1 14 . 1 1 24 24 ALA CA C 18 54.587 54.587 54.558 0.029 17610 12468 1 14 . 1 1 24 24 ALA CB C 18 18.539 18.539 18.237 0.302 17610 12469 1 14 . 1 1 24 24 ALA H H 18 9.189 9.189 8.191 0.998 17610 12470 1 14 . 1 1 25 25 LEU N N 19 121.712 121.712 118.545 3.167 17610 12471 1 14 . 1 1 25 25 LEU HA H 19 3.878 3.878 4.082 -0.204 17610 12472 1 14 . 1 1 25 25 LEU C C 19 177.485 177.485 179.143 -1.658 17610 12473 1 14 . 1 1 25 25 LEU CA C 19 58.729 58.729 57.628 1.101 17610 12474 1 14 . 1 1 25 25 LEU CB C 19 43.227 43.227 41.918 1.309 17610 12475 1 14 . 1 1 25 25 LEU H H 19 8.817 8.817 7.697 1.120 17610 12476 1 14 . 1 1 26 26 THR N N 20 118.148 118.148 116.934 1.214 17610 12477 1 14 . 1 1 26 26 THR HA H 20 3.401 3.401 3.601 -0.200 17610 12478 1 14 . 1 1 26 26 THR C C 20 175.714 175.714 176.573 -0.859 17610 12479 1 14 . 1 1 26 26 THR CA C 20 68.122 68.122 67.040 1.083 17610 12480 1 14 . 1 1 26 26 THR CB C 20 68.196 68.196 68.647 -0.451 17610 12481 1 14 . 1 1 26 26 THR H H 20 7.517 7.517 7.511 0.006 17610 12482 1 14 . 1 1 27 27 ILE N N 21 121.987 121.987 120.505 1.482 17610 12483 1 14 . 1 1 27 27 ILE HA H 21 3.302 3.302 3.141 0.161 17610 12484 1 14 . 1 1 27 27 ILE C C 21 175.380 175.380 177.905 -2.525 17610 12485 1 14 . 1 1 27 27 ILE CA C 21 64.278 64.278 65.159 -0.881 17610 12486 1 14 . 1 1 27 27 ILE CB C 21 36.758 36.758 37.455 -0.697 17610 12487 1 14 . 1 1 27 27 ILE H H 21 8.950 8.950 7.325 1.625 17610 12488 1 14 . 1 1 28 28 GLN N N 22 121.898 121.898 118.766 3.132 17610 12489 1 14 . 1 1 28 28 GLN HA H 22 4.334 4.334 4.080 0.254 17610 12490 1 14 . 1 1 28 28 GLN C C 22 179.058 179.058 178.737 0.321 17610 12491 1 14 . 1 1 28 28 GLN CA C 22 58.796 58.796 58.488 0.308 17610 12492 1 14 . 1 1 28 28 GLN CB C 22 29.752 29.752 28.275 1.477 17610 12493 1 14 . 1 1 28 28 GLN H H 22 8.094 8.094 7.736 0.358 17610 12494 1 14 . 1 1 29 29 LEU N N 23 121.426 121.426 119.280 2.146 17610 12495 1 14 . 1 1 29 29 LEU HA H 23 3.765 3.765 4.126 -0.361 17610 12496 1 14 . 1 1 29 29 LEU C C 23 178.155 178.155 177.248 0.907 17610 12497 1 14 . 1 1 29 29 LEU CA C 23 58.304 58.304 57.142 1.162 17610 12498 1 14 . 1 1 29 29 LEU CB C 23 40.637 40.637 41.397 -0.760 17610 12499 1 14 . 1 1 29 29 LEU H H 23 7.746 7.746 7.888 -0.142 17610 12500 1 14 . 1 1 30 30 ILE N N 24 115.325 115.325 117.782 -2.457 17610 12501 1 14 . 1 1 30 30 ILE HA H 24 3.697 3.697 3.937 -0.240 17610 12502 1 14 . 1 1 30 30 ILE C C 24 177.421 177.421 177.104 0.317 17610 12503 1 14 . 1 1 30 30 ILE CA C 24 62.050 62.050 63.084 -1.034 17610 12504 1 14 . 1 1 30 30 ILE CB C 24 37.183 37.183 38.671 -1.488 17610 12505 1 14 . 1 1 30 30 ILE H H 24 8.115 8.115 7.164 0.951 17610 12506 1 14 . 1 1 31 31 GLN N N 25 117.213 117.213 117.501 -0.288 17610 12507 1 14 . 1 1 31 31 GLN HA H 25 4.539 4.539 4.128 0.411 17610 12508 1 14 . 1 1 31 31 GLN C C 25 176.149 176.149 176.530 -0.381 17610 12509 1 14 . 1 1 31 31 GLN CA C 25 55.234 55.234 57.321 -2.087 17610 12510 1 14 . 1 1 31 31 GLN CB C 25 30.184 30.184 29.482 0.702 17610 12511 1 14 . 1 1 31 31 GLN H H 25 8.887 8.887 8.188 0.699 17610 12512 1 14 . 1 1 32 32 ASN N N 26 117.820 117.820 113.308 4.512 17610 12513 1 14 . 1 1 32 32 ASN HA H 26 4.807 4.807 4.669 0.138 17610 12514 1 14 . 1 1 32 32 ASN C C 26 174.051 174.051 173.508 0.543 17610 12515 1 14 . 1 1 32 32 ASN CA C 26 54.310 54.310 54.381 -0.071 17610 12516 1 14 . 1 1 32 32 ASN CB C 26 37.184 37.184 36.393 0.791 17610 12517 1 14 . 1 1 32 32 ASN H H 26 7.982 7.982 8.360 -0.378 17610 12518 1 14 . 1 1 33 33 HIS N N 27 112.968 112.968 114.310 -1.342 17610 12519 1 14 . 1 1 33 33 HIS HA H 27 4.889 4.889 4.823 0.066 17610 12520 1 14 . 1 1 33 33 HIS C C 27 172.514 172.514 173.526 -1.012 17610 12521 1 14 . 1 1 33 33 HIS CA C 27 54.314 54.314 54.261 0.053 17610 12522 1 14 . 1 1 33 33 HIS CB C 27 32.616 32.616 32.434 0.182 17610 12523 1 14 . 1 1 33 33 HIS H H 27 6.804 6.804 7.519 -0.715 17610 12524 1 14 . 1 1 34 34 PHE N N 28 123.605 123.605 124.017 -0.412 17610 12525 1 14 . 1 1 34 34 PHE HA H 28 4.914 4.914 4.284 0.630 17610 12526 1 14 . 1 1 34 34 PHE C C 28 174.641 174.641 174.701 -0.060 17610 12527 1 14 . 1 1 34 34 PHE CA C 28 55.754 55.754 57.742 -1.988 17610 12528 1 14 . 1 1 34 34 PHE CB C 28 40.573 40.573 38.911 1.662 17610 12529 1 14 . 1 1 34 34 PHE H H 28 8.462 8.462 8.552 -0.090 17610 12530 1 14 . 1 1 35 35 VAL N N 29 126.695 126.695 127.037 -0.342 17610 12531 1 14 . 1 1 35 35 VAL HA H 29 3.911 3.911 3.775 0.136 17610 12532 1 14 . 1 1 35 35 VAL C C 29 173.764 173.764 175.672 -1.908 17610 12533 1 14 . 1 1 35 35 VAL CA C 29 61.275 61.275 62.490 -1.215 17610 12534 1 14 . 1 1 35 35 VAL CB C 29 33.154 33.154 32.675 0.479 17610 12535 1 14 . 1 1 35 35 VAL H H 29 7.537 7.537 7.674 -0.137 17610 12536 1 14 . 1 1 36 36 ASP N N 30 123.271 123.271 127.929 -4.658 17610 12537 1 14 . 1 1 36 36 ASP HA H 30 4.185 4.185 4.611 -0.426 17610 12538 1 14 . 1 1 36 36 ASP C C 30 176.129 176.129 176.154 -0.025 17610 12539 1 14 . 1 1 36 36 ASP CA C 30 54.662 54.662 55.443 -0.781 17610 12540 1 14 . 1 1 36 36 ASP CB C 30 41.323 41.323 41.758 -0.435 17610 12541 1 14 . 1 1 36 36 ASP H H 30 7.618 7.618 8.444 -0.826 17610 12542 1 14 . 1 1 37 37 GLU N N 31 119.730 119.730 117.559 2.171 17610 12543 1 14 . 1 1 37 37 GLU HA H 31 4.262 4.262 4.073 0.189 17610 12544 1 14 . 1 1 37 37 GLU C C 31 174.901 174.901 174.357 0.544 17610 12545 1 14 . 1 1 37 37 GLU CA C 31 56.137 56.137 56.106 0.031 17610 12546 1 14 . 1 1 37 37 GLU CB C 31 30.459 30.459 30.294 0.165 17610 12547 1 14 . 1 1 37 37 GLU H H 31 7.857 7.857 8.003 -0.146 17610 12548 1 14 . 1 1 38 38 TYR N N 32 123.296 123.296 120.744 2.552 17610 12549 1 14 . 1 1 38 38 TYR HA H 32 4.486 4.486 5.147 -0.661 17610 12550 1 14 . 1 1 38 38 TYR C C 32 174.370 174.370 174.112 0.258 17610 12551 1 14 . 1 1 38 38 TYR CA C 32 57.511 57.511 56.414 1.097 17610 12552 1 14 . 1 1 38 38 TYR CB C 32 39.199 39.199 39.406 -0.207 17610 12553 1 14 . 1 1 38 38 TYR H H 32 8.244 8.244 7.920 0.324 17610 12554 1 14 . 1 1 39 39 ASP N N 33 127.452 127.452 122.492 4.960 17610 12555 1 14 . 1 1 39 39 ASP HA H 33 4.891 4.891 4.977 -0.086 17610 12556 1 14 . 1 1 39 39 ASP CA C 33 51.207 51.207 52.698 -1.491 17610 12557 1 14 . 1 1 39 39 ASP CB C 33 41.837 41.837 41.667 0.170 17610 12558 1 14 . 1 1 39 39 ASP H H 33 8.158 8.158 8.513 -0.355 17610 12559 1 14 . 1 1 40 40 PRO HA H 34 4.405 4.405 4.508 -0.103 17610 12560 1 14 . 1 1 40 40 PRO C C 34 176.938 176.938 177.203 -0.265 17610 12561 1 14 . 1 1 40 40 PRO CA C 34 63.068 63.068 64.480 -1.412 17610 12562 1 14 . 1 1 40 40 PRO CB C 34 32.089 32.089 32.559 -0.470 17610 12563 1 14 . 1 1 41 41 SER N N 35 117.575 117.575 115.960 1.615 17610 12564 1 14 . 1 1 41 41 SER HA H 35 4.433 4.433 4.579 -0.146 17610 12565 1 14 . 1 1 41 41 SER C C 35 174.777 174.777 174.455 0.322 17610 12566 1 14 . 1 1 41 41 SER CA C 35 58.346 58.346 58.493 -0.147 17610 12567 1 14 . 1 1 41 41 SER CB C 35 63.704 63.704 62.031 1.673 17610 12568 1 14 . 1 1 41 41 SER H H 35 8.495 8.495 8.159 0.336 17610 12569 1 14 . 1 1 42 42 ILE N N 36 123.018 123.018 118.977 4.041 17610 12570 1 14 . 1 1 42 42 ILE HA H 36 4.219 4.219 4.377 -0.158 17610 12571 1 14 . 1 1 42 42 ILE C C 36 175.966 175.966 175.468 0.498 17610 12572 1 14 . 1 1 42 42 ILE CA C 36 61.665 61.665 61.030 0.635 17610 12573 1 14 . 1 1 42 42 ILE CB C 36 38.745 38.745 39.244 -0.499 17610 12574 1 14 . 1 1 42 42 ILE H H 36 7.919 7.919 7.731 0.188 17610 12575 1 14 . 1 1 43 43 GLU N N 37 124.699 124.699 120.247 4.452 17610 12576 1 14 . 1 1 43 43 GLU HA H 37 4.381 4.381 3.828 0.553 17610 12577 1 14 . 1 1 43 43 GLU C C 37 179.069 179.069 175.413 3.656 17610 12578 1 14 . 1 1 43 43 GLU CA C 37 56.223 56.223 57.404 -1.181 17610 12579 1 14 . 1 1 43 43 GLU CB C 37 30.616 30.616 28.121 2.495 17610 12580 1 14 . 1 1 43 43 GLU H H 37 8.201 8.201 8.336 -0.135 17610 12581 1 14 . 1 1 44 44 ASP N N 38 121.902 121.902 118.286 3.616 17610 12582 1 14 . 1 1 44 44 ASP HA H 38 4.622 4.622 4.541 0.081 17610 12583 1 14 . 1 1 44 44 ASP C C 38 174.634 174.634 175.530 -0.896 17610 12584 1 14 . 1 1 44 44 ASP CA C 38 54.095 54.095 53.192 0.903 17610 12585 1 14 . 1 1 44 44 ASP CB C 38 41.837 41.837 38.958 2.880 17610 12586 1 14 . 1 1 44 44 ASP H H 38 8.094 8.094 8.250 -0.156 17610 12587 1 14 . 1 1 45 45 SER N N 39 114.779 114.779 114.985 -0.206 17610 12588 1 14 . 1 1 45 45 SER HA H 39 4.923 4.923 3.930 0.993 17610 12589 1 14 . 1 1 45 45 SER C C 39 173.339 173.339 173.645 -0.306 17610 12590 1 14 . 1 1 45 45 SER CA C 39 57.023 57.023 59.325 -2.302 17610 12591 1 14 . 1 1 45 45 SER CB C 39 64.751 64.751 63.789 0.962 17610 12592 1 14 . 1 1 45 45 SER H H 39 7.792 7.792 7.216 0.576 17610 12593 1 14 . 1 1 46 46 TYR N N 40 124.235 124.235 119.934 4.301 17610 12594 1 14 . 1 1 46 46 TYR HA H 40 4.662 4.662 4.666 -0.004 17610 12595 1 14 . 1 1 46 46 TYR C C 40 173.910 173.910 174.182 -0.272 17610 12596 1 14 . 1 1 46 46 TYR CA C 40 56.944 56.944 56.581 0.363 17610 12597 1 14 . 1 1 46 46 TYR CB C 40 41.323 41.323 41.291 0.032 17610 12598 1 14 . 1 1 46 46 TYR H H 40 8.976 8.976 8.192 0.784 17610 12599 1 14 . 1 1 47 47 ARG N N 41 121.906 121.906 123.331 -1.425 17610 12600 1 14 . 1 1 47 47 ARG HA H 41 5.802 5.802 5.136 0.666 17610 12601 1 14 . 1 1 47 47 ARG C C 41 176.150 176.150 174.975 1.175 17610 12602 1 14 . 1 1 47 47 ARG CA C 41 54.129 54.129 54.394 -0.265 17610 12603 1 14 . 1 1 47 47 ARG CB C 41 34.105 34.105 31.544 2.561 17610 12604 1 14 . 1 1 47 47 ARG H H 41 8.238 8.238 8.571 -0.333 17610 12605 1 14 . 1 1 48 48 LYS N N 42 123.924 123.924 124.692 -0.768 17610 12606 1 14 . 1 1 48 48 LYS HA H 42 4.508 4.508 4.502 0.006 17610 12607 1 14 . 1 1 48 48 LYS C C 42 173.710 173.710 174.913 -1.203 17610 12608 1 14 . 1 1 48 48 LYS CA C 42 55.651 55.651 54.558 1.093 17610 12609 1 14 . 1 1 48 48 LYS CB C 42 38.139 38.139 35.645 2.494 17610 12610 1 14 . 1 1 48 48 LYS H H 42 8.705 8.705 8.062 0.643 17610 12611 1 14 . 1 1 49 49 GLN N N 43 130.301 130.301 125.584 4.717 17610 12612 1 14 . 1 1 49 49 GLN HA H 43 5.230 5.230 4.463 0.767 17610 12613 1 14 . 1 1 49 49 GLN C C 43 175.254 175.254 174.972 0.282 17610 12614 1 14 . 1 1 49 49 GLN CA C 43 55.496 55.496 55.648 -0.152 17610 12615 1 14 . 1 1 49 49 GLN CB C 43 29.892 29.892 29.638 0.254 17610 12616 1 14 . 1 1 49 49 GLN H H 43 8.897 8.897 8.582 0.315 17610 12617 1 14 . 1 1 50 50 VAL N N 44 122.354 122.354 121.380 0.974 17610 12618 1 14 . 1 1 50 50 VAL HA H 44 4.772 4.772 4.691 0.081 17610 12619 1 14 . 1 1 50 50 VAL C C 44 173.116 173.116 173.385 -0.269 17610 12620 1 14 . 1 1 50 50 VAL CA C 44 59.238 59.238 59.275 -0.037 17610 12621 1 14 . 1 1 50 50 VAL CB C 44 35.888 35.888 35.729 0.159 17610 12622 1 14 . 1 1 50 50 VAL H H 44 9.104 9.104 8.681 0.423 17610 12623 1 14 . 1 1 51 51 VAL N N 45 122.385 122.385 120.331 2.054 17610 12624 1 14 . 1 1 51 51 VAL HA H 45 4.462 4.462 4.510 -0.048 17610 12625 1 14 . 1 1 51 51 VAL C C 45 175.450 175.450 175.555 -0.105 17610 12626 1 14 . 1 1 51 51 VAL CA C 45 61.832 61.832 61.265 0.567 17610 12627 1 14 . 1 1 51 51 VAL CB C 45 32.228 32.228 31.893 0.335 17610 12628 1 14 . 1 1 51 51 VAL H H 45 8.100 8.100 8.413 -0.313 17610 12629 1 14 . 1 1 52 52 ILE N N 46 126.953 126.953 129.153 -2.200 17610 12630 1 14 . 1 1 52 52 ILE HA H 46 3.995 3.995 3.956 0.039 17610 12631 1 14 . 1 1 52 52 ILE C C 46 176.424 176.424 176.063 0.361 17610 12632 1 14 . 1 1 52 52 ILE CA C 46 60.343 60.343 60.508 -0.165 17610 12633 1 14 . 1 1 52 52 ILE CB C 46 40.096 40.096 36.202 3.894 17610 12634 1 14 . 1 1 52 52 ILE H H 46 8.118 8.118 8.291 -0.173 17610 12635 1 14 . 1 1 53 53 ASP N N 47 132.206 132.206 129.345 2.861 17610 12636 1 14 . 1 1 53 53 ASP HA H 47 4.267 4.267 4.361 -0.094 17610 12637 1 14 . 1 1 53 53 ASP C C 47 176.121 176.121 176.577 -0.456 17610 12638 1 14 . 1 1 53 53 ASP CA C 47 55.267 55.267 54.426 0.841 17610 12639 1 14 . 1 1 53 53 ASP CB C 47 39.203 39.203 39.887 -0.684 17610 12640 1 14 . 1 1 53 53 ASP H H 47 9.605 9.605 8.793 0.812 17610 12641 1 14 . 1 1 54 54 GLY N N 48 104.275 104.275 107.443 -3.168 17610 12642 1 14 . 1 1 54 54 GLY C C 48 173.219 173.219 173.323 -0.104 17610 12643 1 14 . 1 1 54 54 GLY CA C 48 45.318 45.318 45.562 -0.244 17610 12644 1 14 . 1 1 54 54 GLY H H 48 8.332 8.332 8.476 -0.144 17610 12645 1 14 . 1 1 55 55 GLU N N 49 123.384 123.384 119.172 4.212 17610 12646 1 14 . 1 1 55 55 GLU HA H 49 4.691 4.691 4.600 0.091 17610 12647 1 14 . 1 1 55 55 GLU C C 49 175.614 175.614 175.096 0.518 17610 12648 1 14 . 1 1 55 55 GLU CA C 49 54.719 54.719 54.468 0.252 17610 12649 1 14 . 1 1 55 55 GLU CB C 49 31.803 31.803 31.770 0.033 17610 12650 1 14 . 1 1 55 55 GLU H H 49 7.684 7.684 7.973 -0.289 17610 12651 1 14 . 1 1 56 56 THR N N 50 127.153 127.153 123.404 3.749 17610 12652 1 14 . 1 1 56 56 THR HA H 50 4.727 4.727 4.433 0.294 17610 12653 1 14 . 1 1 56 56 THR C C 50 173.530 173.530 173.966 -0.436 17610 12654 1 14 . 1 1 56 56 THR CA C 50 63.521 63.521 64.645 -1.124 17610 12655 1 14 . 1 1 56 56 THR CB C 50 68.478 68.478 68.948 -0.470 17610 12656 1 14 . 1 1 56 56 THR H H 50 8.951 8.951 8.637 0.314 17610 12657 1 14 . 1 1 57 57 CYS N N 51 124.835 124.835 123.672 1.163 17610 12658 1 14 . 1 1 57 57 CYS HA H 51 5.086 5.086 4.827 0.259 17610 12659 1 14 . 1 1 57 57 CYS C C 51 170.937 170.937 173.050 -2.113 17610 12660 1 14 . 1 1 57 57 CYS CA C 51 56.423 56.423 57.955 -1.532 17610 12661 1 14 . 1 1 57 57 CYS CB C 51 31.549 31.549 31.576 -0.027 17610 12662 1 14 . 1 1 57 57 CYS H H 51 9.424 9.424 9.152 0.272 17610 12663 1 14 . 1 1 58 58 LEU N N 52 123.111 123.111 122.354 0.757 17610 12664 1 14 . 1 1 58 58 LEU HA H 52 4.943 4.943 4.537 0.406 17610 12665 1 14 . 1 1 58 58 LEU C C 52 175.044 175.044 176.016 -0.972 17610 12666 1 14 . 1 1 58 58 LEU CA C 52 53.372 53.372 54.451 -1.079 17610 12667 1 14 . 1 1 58 58 LEU CB C 52 44.304 44.304 43.240 1.064 17610 12668 1 14 . 1 1 58 58 LEU H H 52 8.803 8.803 8.989 -0.186 17610 12669 1 14 . 1 1 59 59 LEU N N 53 124.540 124.540 123.501 1.039 17610 12670 1 14 . 1 1 59 59 LEU HA H 53 4.888 4.888 4.687 0.201 17610 12671 1 14 . 1 1 59 59 LEU C C 53 174.358 174.358 175.482 -1.124 17610 12672 1 14 . 1 1 59 59 LEU CA C 53 53.490 53.490 53.843 -0.353 17610 12673 1 14 . 1 1 59 59 LEU CB C 53 42.195 42.195 42.581 -0.387 17610 12674 1 14 . 1 1 59 59 LEU H H 53 9.054 9.054 8.906 0.148 17610 12675 1 14 . 1 1 60 60 ASP N N 54 126.666 126.666 124.273 2.393 17610 12676 1 14 . 1 1 60 60 ASP HA H 54 5.225 5.225 4.620 0.605 17610 12677 1 14 . 1 1 60 60 ASP C C 54 174.846 174.846 175.512 -0.666 17610 12678 1 14 . 1 1 60 60 ASP CA C 54 53.040 53.040 54.795 -1.755 17610 12679 1 14 . 1 1 60 60 ASP CB C 54 42.622 42.622 40.581 2.041 17610 12680 1 14 . 1 1 60 60 ASP H H 54 8.739 8.739 8.214 0.525 17610 12681 1 14 . 1 1 61 61 ILE N N 55 125.100 125.100 125.020 0.080 17610 12682 1 14 . 1 1 61 61 ILE HA H 55 4.690 4.690 4.203 0.487 17610 12683 1 14 . 1 1 61 61 ILE C C 55 174.745 174.745 175.116 -0.371 17610 12684 1 14 . 1 1 61 61 ILE CA C 55 60.331 60.331 59.554 0.777 17610 12685 1 14 . 1 1 61 61 ILE CB C 55 39.682 39.682 36.557 3.125 17610 12686 1 14 . 1 1 61 61 ILE H H 55 9.115 9.115 9.119 -0.004 17610 12687 1 14 . 1 1 62 62 LEU N N 56 131.208 131.208 130.643 0.565 17610 12688 1 14 . 1 1 62 62 LEU HA H 56 4.667 4.667 4.493 0.174 17610 12689 1 14 . 1 1 62 62 LEU C C 56 174.063 174.063 174.713 -0.650 17610 12690 1 14 . 1 1 62 62 LEU CA C 56 53.795 53.795 53.569 0.226 17610 12691 1 14 . 1 1 62 62 LEU CB C 56 42.256 42.256 42.103 0.153 17610 12692 1 14 . 1 1 62 62 LEU H H 56 9.014 9.014 8.562 0.452 17610 12693 1 14 . 1 1 63 63 ASP N N 57 128.415 128.415 127.828 0.587 17610 12694 1 14 . 1 1 63 63 ASP HA H 57 4.783 4.783 4.880 -0.097 17610 12695 1 14 . 1 1 63 63 ASP C C 57 176.341 176.341 175.860 0.481 17610 12696 1 14 . 1 1 63 63 ASP CA C 57 52.988 52.988 52.772 0.216 17610 12697 1 14 . 1 1 63 63 ASP CB C 57 41.837 41.837 42.872 -1.035 17610 12698 1 14 . 1 1 63 63 ASP H H 57 8.657 8.657 8.209 0.448 17610 12699 1 14 . 1 1 64 64 THR N N 58 114.950 114.950 118.397 -3.447 17610 12700 1 14 . 1 1 64 64 THR HA H 58 4.425 4.425 4.239 0.186 17610 12701 1 14 . 1 1 64 64 THR C C 58 172.734 172.734 174.196 -1.462 17610 12702 1 14 . 1 1 64 64 THR CA C 58 61.488 61.488 60.297 1.191 17610 12703 1 14 . 1 1 64 64 THR CB C 58 71.398 71.398 69.794 1.604 17610 12704 1 14 . 1 1 64 64 THR H H 58 7.369 7.369 7.938 -0.569 17610 12705 1 14 . 1 1 65 65 ALA N N 59 123.940 123.940 121.085 2.855 17610 12706 1 14 . 1 1 65 65 ALA HA H 59 4.764 4.764 4.477 0.287 17610 12707 1 14 . 1 1 65 65 ALA C C 59 179.480 179.480 178.361 1.119 17610 12708 1 14 . 1 1 65 65 ALA CA C 59 51.422 51.422 51.912 -0.490 17610 12709 1 14 . 1 1 65 65 ALA CB C 59 20.796 20.796 20.304 0.492 17610 12710 1 14 . 1 1 65 65 ALA H H 59 8.329 8.329 8.066 0.263 17610 12711 1 14 . 1 1 66 66 GLY N N 60 112.527 112.527 107.169 5.358 17610 12712 1 14 . 1 1 66 66 GLY C C 60 174.938 174.938 173.962 0.976 17610 12713 1 14 . 1 1 66 66 GLY CA C 60 46.057 46.057 46.555 -0.498 17610 12714 1 14 . 1 1 66 66 GLY H H 60 9.397 9.397 8.869 0.528 17610 12715 1 14 . 1 1 67 67 GLN N N 61 120.877 120.877 119.550 1.327 17610 12716 1 14 . 1 1 67 67 GLN HA H 61 4.422 4.422 4.617 -0.195 17610 12717 1 14 . 1 1 67 67 GLN C C 61 176.298 176.298 174.428 1.870 17610 12718 1 14 . 1 1 67 67 GLN CA C 61 56.355 56.355 55.853 0.502 17610 12719 1 14 . 1 1 67 67 GLN CB C 61 29.438 29.438 29.337 0.101 17610 12720 1 14 . 1 1 67 67 GLN H H 61 8.237 8.237 8.341 -0.104 17610 12721 1 14 . 1 1 68 68 GLU N N 62 123.751 123.751 121.688 2.063 17610 12722 1 14 . 1 1 68 68 GLU HA H 62 4.208 4.208 4.345 -0.137 17610 12723 1 14 . 1 1 68 68 GLU C C 62 177.032 177.032 175.225 1.807 17610 12724 1 14 . 1 1 68 68 GLU CA C 62 57.801 57.801 56.365 1.435 17610 12725 1 14 . 1 1 68 68 GLU CB C 62 29.834 29.834 29.670 0.164 17610 12726 1 14 . 1 1 68 68 GLU H H 62 8.738 8.738 8.478 0.260 17610 12727 1 14 . 1 1 69 69 GLU N N 63 121.861 121.861 118.913 2.948 17610 12728 1 14 . 1 1 69 69 GLU HA H 63 4.228 4.228 4.084 0.144 17610 12729 1 14 . 1 1 69 69 GLU C C 63 176.145 176.145 174.435 1.710 17610 12730 1 14 . 1 1 69 69 GLU CA C 63 57.026 57.026 57.233 -0.207 17610 12731 1 14 . 1 1 69 69 GLU CB C 63 30.231 30.231 28.682 1.549 17610 12732 1 14 . 1 1 69 69 GLU H H 63 8.607 8.607 8.644 -0.037 17610 12733 1 14 . 1 1 70 70 TYR N N 64 121.801 121.801 121.179 0.622 17610 12734 1 14 . 1 1 70 70 TYR HA H 64 4.587 4.587 4.608 -0.021 17610 12735 1 14 . 1 1 70 70 TYR C C 64 175.965 175.965 174.633 1.332 17610 12736 1 14 . 1 1 70 70 TYR CA C 64 58.160 58.160 57.043 1.117 17610 12737 1 14 . 1 1 70 70 TYR CB C 64 38.288 38.288 39.047 -0.759 17610 12738 1 14 . 1 1 70 70 TYR H H 64 8.225 8.225 8.018 0.207 17610 12739 1 14 . 1 1 71 71 SER N N 65 120.137 120.137 117.998 2.139 17610 12740 1 14 . 1 1 71 71 SER HA H 65 4.269 4.269 4.639 -0.370 17610 12741 1 14 . 1 1 71 71 SER C C 65 174.912 174.912 176.290 -1.378 17610 12742 1 14 . 1 1 71 71 SER CA C 65 58.755 58.755 58.753 0.002 17610 12743 1 14 . 1 1 71 71 SER CB C 65 63.755 63.755 64.169 -0.414 17610 12744 1 14 . 1 1 71 71 SER H H 65 7.884 7.884 8.363 -0.479 17610 12745 1 14 . 1 1 72 72 ALA N N 66 127.848 127.848 125.605 2.243 17610 12746 1 14 . 1 1 72 72 ALA HA H 66 4.193 4.193 4.178 0.015 17610 12747 1 14 . 1 1 72 72 ALA C C 66 179.820 179.820 179.761 0.059 17610 12748 1 14 . 1 1 72 72 ALA CA C 66 54.595 54.595 54.955 -0.360 17610 12749 1 14 . 1 1 72 72 ALA CB C 66 18.264 18.264 18.290 -0.026 17610 12750 1 14 . 1 1 72 72 ALA H H 66 8.706 8.706 8.556 0.150 17610 12751 1 14 . 1 1 73 73 MET N N 67 118.448 118.448 115.878 2.570 17610 12752 1 14 . 1 1 73 73 MET HA H 67 4.271 4.271 4.124 0.147 17610 12753 1 14 . 1 1 73 73 MET C C 67 177.098 177.098 178.123 -1.025 17610 12754 1 14 . 1 1 73 73 MET CA C 67 56.915 56.915 56.934 -0.019 17610 12755 1 14 . 1 1 73 73 MET CB C 67 32.031 32.031 30.924 1.107 17610 12756 1 14 . 1 1 73 73 MET H H 67 8.007 8.007 8.064 -0.057 17610 12757 1 14 . 1 1 74 74 ARG N N 68 121.351 121.351 120.831 0.520 17610 12758 1 14 . 1 1 74 74 ARG HA H 68 3.793 3.793 4.213 -0.420 17610 12759 1 14 . 1 1 74 74 ARG C C 68 177.730 177.730 178.629 -0.899 17610 12760 1 14 . 1 1 74 74 ARG CA C 68 59.093 59.093 59.844 -0.751 17610 12761 1 14 . 1 1 74 74 ARG CB C 68 30.118 30.118 29.910 0.208 17610 12762 1 14 . 1 1 74 74 ARG H H 68 7.761 7.761 8.047 -0.286 17610 12763 1 14 . 1 1 75 75 ASP N N 69 119.938 119.938 118.400 1.538 17610 12764 1 14 . 1 1 75 75 ASP HA H 69 4.286 4.286 4.521 -0.235 17610 12765 1 14 . 1 1 75 75 ASP C C 69 177.998 177.998 178.310 -0.312 17610 12766 1 14 . 1 1 75 75 ASP CA C 69 57.555 57.555 57.816 -0.261 17610 12767 1 14 . 1 1 75 75 ASP CB C 69 40.401 40.401 40.480 -0.079 17610 12768 1 14 . 1 1 75 75 ASP H H 69 8.077 8.077 8.049 0.028 17610 12769 1 14 . 1 1 76 76 GLN N N 70 119.151 119.151 120.329 -1.178 17610 12770 1 14 . 1 1 76 76 GLN HA H 70 4.050 4.050 3.987 0.063 17610 12771 1 14 . 1 1 76 76 GLN C C 70 178.837 178.837 178.423 0.414 17610 12772 1 14 . 1 1 76 76 GLN CA C 70 58.920 58.920 58.513 0.407 17610 12773 1 14 . 1 1 76 76 GLN CB C 70 28.063 28.063 27.986 0.077 17610 12774 1 14 . 1 1 76 76 GLN H H 70 7.789 7.789 7.386 0.403 17610 12775 1 14 . 1 1 77 77 TYR N N 71 119.847 119.847 119.286 0.561 17610 12776 1 14 . 1 1 77 77 TYR HA H 71 4.548 4.548 4.493 0.055 17610 12777 1 14 . 1 1 77 77 TYR C C 71 178.680 178.680 178.766 -0.086 17610 12778 1 14 . 1 1 77 77 TYR CA C 71 58.785 58.785 59.984 -1.200 17610 12779 1 14 . 1 1 77 77 TYR CB C 71 36.986 36.986 37.984 -0.998 17610 12780 1 14 . 1 1 77 77 TYR H H 71 8.131 8.131 7.586 0.545 17610 12781 1 14 . 1 1 78 78 MET N N 72 119.987 119.987 117.622 2.365 17610 12782 1 14 . 1 1 78 78 MET HA H 72 4.402 4.402 4.446 -0.044 17610 12783 1 14 . 1 1 78 78 MET C C 72 177.008 177.008 178.671 -1.663 17610 12784 1 14 . 1 1 78 78 MET CA C 72 59.028 59.028 59.195 -0.167 17610 12785 1 14 . 1 1 78 78 MET CB C 72 32.709 32.709 32.219 0.490 17610 12786 1 14 . 1 1 78 78 MET H H 72 8.380 8.380 8.173 0.207 17610 12787 1 14 . 1 1 79 79 ARG N N 73 117.792 117.792 115.663 2.129 17610 12788 1 14 . 1 1 79 79 ARG HA H 73 3.914 3.914 4.188 -0.274 17610 12789 1 14 . 1 1 79 79 ARG C C 73 178.169 178.169 178.094 0.075 17610 12790 1 14 . 1 1 79 79 ARG CA C 73 59.493 59.493 58.940 0.553 17610 12791 1 14 . 1 1 79 79 ARG CB C 73 30.100 30.100 30.538 -0.438 17610 12792 1 14 . 1 1 79 79 ARG H H 73 7.992 7.992 8.142 -0.150 17610 12793 1 14 . 1 1 80 80 THR N N 74 110.012 110.012 108.337 1.675 17610 12794 1 14 . 1 1 80 80 THR HA H 74 4.242 4.242 4.339 -0.097 17610 12795 1 14 . 1 1 80 80 THR C C 74 175.640 175.640 175.639 0.001 17610 12796 1 14 . 1 1 80 80 THR CA C 74 62.863 62.863 63.033 -0.170 17610 12797 1 14 . 1 1 80 80 THR CB C 74 69.808 69.808 69.805 0.003 17610 12798 1 14 . 1 1 80 80 THR H H 74 7.718 7.718 7.550 0.168 17610 12799 1 14 . 1 1 81 81 GLY N N 75 109.297 109.297 109.730 -0.433 17610 12800 1 14 . 1 1 81 81 GLY C C 75 172.419 172.419 173.611 -1.192 17610 12801 1 14 . 1 1 81 81 GLY CA C 75 46.504 46.504 44.383 2.121 17610 12802 1 14 . 1 1 81 81 GLY H H 75 7.852 7.852 7.672 0.180 17610 12803 1 14 . 1 1 82 82 GLU N N 76 122.399 122.399 121.563 0.836 17610 12804 1 14 . 1 1 82 82 GLU HA H 76 4.523 4.523 4.312 0.211 17610 12805 1 14 . 1 1 82 82 GLU C C 76 176.409 176.409 175.559 0.850 17610 12806 1 14 . 1 1 82 82 GLU CA C 76 56.469 56.469 57.154 -0.685 17610 12807 1 14 . 1 1 82 82 GLU CB C 76 32.049 32.049 30.666 1.383 17610 12808 1 14 . 1 1 82 82 GLU H H 76 8.879 8.879 8.113 0.766 17610 12809 1 14 . 1 1 83 83 GLY N N 77 102.282 102.282 104.850 -2.568 17610 12810 1 14 . 1 1 83 83 GLY C C 77 170.803 170.803 171.701 -0.898 17610 12811 1 14 . 1 1 83 83 GLY CA C 77 45.453 45.453 44.985 0.468 17610 12812 1 14 . 1 1 83 83 GLY H H 77 7.192 7.192 7.086 0.106 17610 12813 1 14 . 1 1 84 84 PHE N N 78 122.648 122.648 116.254 6.394 17610 12814 1 14 . 1 1 84 84 PHE HA H 78 5.448 5.448 5.385 0.063 17610 12815 1 14 . 1 1 84 84 PHE C C 78 173.734 173.734 173.768 -0.034 17610 12816 1 14 . 1 1 84 84 PHE CA C 78 57.065 57.065 56.921 0.144 17610 12817 1 14 . 1 1 84 84 PHE CB C 78 42.997 42.997 44.062 -1.065 17610 12818 1 14 . 1 1 84 84 PHE H H 78 8.224 8.224 8.370 -0.146 17610 12819 1 14 . 1 1 85 85 LEU N N 79 127.298 127.298 121.781 5.517 17610 12820 1 14 . 1 1 85 85 LEU HA H 79 4.690 4.690 4.855 -0.165 17610 12821 1 14 . 1 1 85 85 LEU C C 79 174.690 174.690 175.037 -0.347 17610 12822 1 14 . 1 1 85 85 LEU CA C 79 53.981 53.981 54.117 -0.136 17610 12823 1 14 . 1 1 85 85 LEU CB C 79 43.058 43.058 45.427 -2.369 17610 12824 1 14 . 1 1 85 85 LEU H H 79 9.189 9.189 8.914 0.275 17610 12825 1 14 . 1 1 86 86 CYS N N 80 125.581 125.581 127.553 -1.972 17610 12826 1 14 . 1 1 86 86 CYS HA H 80 4.689 4.689 4.635 0.054 17610 12827 1 14 . 1 1 86 86 CYS C C 80 172.664 172.664 173.593 -0.929 17610 12828 1 14 . 1 1 86 86 CYS CA C 80 57.767 57.767 59.382 -1.615 17610 12829 1 14 . 1 1 86 86 CYS CB C 80 27.397 27.397 27.706 -0.308 17610 12830 1 14 . 1 1 86 86 CYS H H 80 8.720 8.720 9.053 -0.333 17610 12831 1 14 . 1 1 87 87 VAL N N 81 127.252 127.252 126.473 0.779 17610 12832 1 14 . 1 1 87 87 VAL HA H 81 4.983 4.983 4.213 0.770 17610 12833 1 14 . 1 1 87 87 VAL C C 81 175.119 175.119 174.757 0.362 17610 12834 1 14 . 1 1 87 87 VAL CA C 81 61.275 61.275 61.787 -0.512 17610 12835 1 14 . 1 1 87 87 VAL CB C 81 33.407 33.407 32.462 0.946 17610 12836 1 14 . 1 1 87 87 VAL H H 81 9.028 9.028 8.477 0.551 17610 12837 1 14 . 1 1 88 88 PHE N N 82 125.157 125.157 126.972 -1.815 17610 12838 1 14 . 1 1 88 88 PHE HA H 82 4.992 4.992 5.334 -0.342 17610 12839 1 14 . 1 1 88 88 PHE C C 82 171.162 171.162 173.398 -2.236 17610 12840 1 14 . 1 1 88 88 PHE CA C 82 55.349 55.349 54.707 0.642 17610 12841 1 14 . 1 1 88 88 PHE CB C 82 40.430 40.430 43.535 -3.105 17610 12842 1 14 . 1 1 88 88 PHE H H 82 9.306 9.306 8.740 0.566 17610 12843 1 14 . 1 1 89 89 ALA N N 83 122.321 122.321 126.741 -4.420 17610 12844 1 14 . 1 1 89 89 ALA HA H 83 5.082 5.082 4.569 0.513 17610 12845 1 14 . 1 1 89 89 ALA C C 83 179.267 179.267 178.374 0.893 17610 12846 1 14 . 1 1 89 89 ALA CA C 83 49.635 49.635 49.279 0.356 17610 12847 1 14 . 1 1 89 89 ALA CB C 83 21.739 21.739 19.942 1.798 17610 12848 1 14 . 1 1 89 89 ALA H H 83 8.692 8.692 8.066 0.626 17610 12849 1 14 . 1 1 90 90 ILE N N 84 114.459 114.459 119.454 -4.995 17610 12850 1 14 . 1 1 90 90 ILE HA H 84 4.054 4.054 3.562 0.492 17610 12851 1 14 . 1 1 90 90 ILE C C 84 174.164 174.164 176.238 -2.074 17610 12852 1 14 . 1 1 90 90 ILE CA C 84 63.169 63.169 64.057 -0.888 17610 12853 1 14 . 1 1 90 90 ILE CB C 84 38.174 38.174 37.667 0.507 17610 12854 1 14 . 1 1 90 90 ILE H H 84 8.461 8.461 7.336 1.125 17610 12855 1 14 . 1 1 91 91 ASN N N 85 118.240 118.240 114.520 3.720 17610 12856 1 14 . 1 1 91 91 ASN HA H 85 5.049 5.049 4.806 0.243 17610 12857 1 14 . 1 1 91 91 ASN C C 85 174.583 174.583 174.590 -0.007 17610 12858 1 14 . 1 1 91 91 ASN CA C 85 52.161 52.161 53.465 -1.304 17610 12859 1 14 . 1 1 91 91 ASN CB C 85 38.132 38.132 38.412 -0.280 17610 12860 1 14 . 1 1 91 91 ASN H H 85 7.906 7.906 8.485 -0.579 17610 12861 1 14 . 1 1 92 92 ASN N N 86 120.345 120.345 118.496 1.849 17610 12862 1 14 . 1 1 92 92 ASN HA H 86 5.080 5.080 5.017 0.063 17610 12863 1 14 . 1 1 92 92 ASN C C 86 175.090 175.090 175.335 -0.245 17610 12864 1 14 . 1 1 92 92 ASN CA C 86 52.041 52.041 52.542 -0.501 17610 12865 1 14 . 1 1 92 92 ASN CB C 86 39.203 39.203 39.803 -0.600 17610 12866 1 14 . 1 1 92 92 ASN H H 86 7.931 7.931 7.730 0.201 17610 12867 1 14 . 1 1 93 93 THR N N 87 125.665 125.665 120.329 5.336 17610 12868 1 14 . 1 1 93 93 THR HA H 87 3.772 3.772 4.098 -0.326 17610 12869 1 14 . 1 1 93 93 THR C C 87 176.012 176.012 175.862 0.150 17610 12870 1 14 . 1 1 93 93 THR CA C 87 66.753 66.753 66.477 0.276 17610 12871 1 14 . 1 1 93 93 THR CB C 87 68.400 68.400 69.076 -0.676 17610 12872 1 14 . 1 1 93 93 THR H H 87 9.272 9.272 8.548 0.724 17610 12873 1 14 . 1 1 94 94 LYS N N 88 125.404 125.404 121.312 4.092 17610 12874 1 14 . 1 1 94 94 LYS HA H 88 4.186 4.186 4.099 0.087 17610 12875 1 14 . 1 1 94 94 LYS C C 88 178.027 178.027 178.422 -0.395 17610 12876 1 14 . 1 1 94 94 LYS CA C 88 59.359 59.359 59.780 -0.421 17610 12877 1 14 . 1 1 94 94 LYS CB C 88 31.292 31.292 32.275 -0.983 17610 12878 1 14 . 1 1 94 94 LYS H H 88 8.456 8.456 7.983 0.473 17610 12879 1 14 . 1 1 95 95 SER N N 89 115.491 115.491 116.511 -1.020 17610 12880 1 14 . 1 1 95 95 SER HA H 89 4.188 4.188 4.516 -0.328 17610 12881 1 14 . 1 1 95 95 SER C C 89 175.751 175.751 176.562 -0.811 17610 12882 1 14 . 1 1 95 95 SER CA C 89 61.751 61.751 61.228 0.523 17610 12883 1 14 . 1 1 95 95 SER CB C 89 63.530 63.530 62.798 0.732 17610 12884 1 14 . 1 1 95 95 SER H H 89 7.970 7.970 7.712 0.258 17610 12885 1 14 . 1 1 96 96 PHE N N 90 125.899 125.899 120.781 5.118 17610 12886 1 14 . 1 1 96 96 PHE HA H 90 4.037 4.037 4.271 -0.234 17610 12887 1 14 . 1 1 96 96 PHE C C 90 177.267 177.267 177.135 0.132 17610 12888 1 14 . 1 1 96 96 PHE CA C 90 59.688 59.688 60.395 -0.707 17610 12889 1 14 . 1 1 96 96 PHE CB C 90 40.175 40.175 39.013 1.162 17610 12890 1 14 . 1 1 96 96 PHE H H 90 7.419 7.419 8.113 -0.694 17610 12891 1 14 . 1 1 97 97 GLU N N 91 122.834 122.834 117.357 5.477 17610 12892 1 14 . 1 1 97 97 GLU HA H 91 3.787 3.787 4.021 -0.234 17610 12893 1 14 . 1 1 97 97 GLU C C 91 179.628 179.628 178.439 1.189 17610 12894 1 14 . 1 1 97 97 GLU CA C 91 59.004 59.004 59.561 -0.557 17610 12895 1 14 . 1 1 97 97 GLU CB C 91 29.261 29.261 29.418 -0.157 17610 12896 1 14 . 1 1 97 97 GLU H H 91 8.449 8.449 7.917 0.532 17610 12897 1 14 . 1 1 98 98 ASP N N 92 118.617 118.617 120.726 -2.109 17610 12898 1 14 . 1 1 98 98 ASP HA H 92 4.553 4.553 4.358 0.195 17610 12899 1 14 . 1 1 98 98 ASP C C 92 177.582 177.582 178.666 -1.084 17610 12900 1 14 . 1 1 98 98 ASP CA C 92 56.171 56.171 56.980 -0.809 17610 12901 1 14 . 1 1 98 98 ASP CB C 92 41.184 41.184 40.612 0.572 17610 12902 1 14 . 1 1 98 98 ASP H H 92 8.492 8.492 7.534 0.958 17610 12903 1 14 . 1 1 99 99 ILE N N 93 121.939 121.939 118.775 3.164 17610 12904 1 14 . 1 1 99 99 ILE HA H 93 3.954 3.954 4.089 -0.135 17610 12905 1 14 . 1 1 99 99 ILE C C 93 177.442 177.442 177.453 -0.011 17610 12906 1 14 . 1 1 99 99 ILE CA C 93 62.370 62.370 63.184 -0.814 17610 12907 1 14 . 1 1 99 99 ILE CB C 93 34.570 34.570 36.842 -2.272 17610 12908 1 14 . 1 1 99 99 ILE H H 93 7.583 7.583 8.224 -0.641 17610 12909 1 14 . 1 1 100 100 HIS N N 94 118.387 118.387 118.906 -0.519 17610 12910 1 14 . 1 1 100 100 HIS HA H 94 4.273 4.273 4.510 -0.237 17610 12911 1 14 . 1 1 100 100 HIS C C 94 177.345 177.345 177.657 -0.312 17610 12912 1 14 . 1 1 100 100 HIS CA C 94 60.090 60.090 59.129 0.961 17610 12913 1 14 . 1 1 100 100 HIS CB C 94 30.512 30.512 30.130 0.382 17610 12914 1 14 . 1 1 100 100 HIS H H 94 7.799 7.799 7.720 0.079 17610 12915 1 14 . 1 1 101 101 GLN N N 95 117.673 117.673 118.914 -1.241 17610 12916 1 14 . 1 1 101 101 GLN HA H 95 3.941 3.941 3.744 0.197 17610 12917 1 14 . 1 1 101 101 GLN C C 95 179.155 179.155 177.990 1.165 17610 12918 1 14 . 1 1 101 101 GLN CA C 95 58.371 58.371 57.864 0.507 17610 12919 1 14 . 1 1 101 101 GLN CB C 95 27.807 27.807 27.458 0.349 17610 12920 1 14 . 1 1 101 101 GLN H H 95 7.468 7.468 7.644 -0.176 17610 12921 1 14 . 1 1 102 102 TYR N N 96 120.407 120.407 120.087 0.320 17610 12922 1 14 . 1 1 102 102 TYR HA H 96 4.064 4.064 4.103 -0.039 17610 12923 1 14 . 1 1 102 102 TYR C C 96 177.660 177.660 177.755 -0.095 17610 12924 1 14 . 1 1 102 102 TYR CA C 96 62.847 62.847 60.520 2.327 17610 12925 1 14 . 1 1 102 102 TYR CB C 96 37.795 37.795 38.037 -0.242 17610 12926 1 14 . 1 1 102 102 TYR H H 96 7.600 7.600 8.429 -0.829 17610 12927 1 14 . 1 1 103 103 ARG N N 97 119.974 119.974 119.107 0.867 17610 12928 1 14 . 1 1 103 103 ARG HA H 97 3.616 3.616 3.708 -0.092 17610 12929 1 14 . 1 1 103 103 ARG C C 97 177.618 177.618 177.820 -0.202 17610 12930 1 14 . 1 1 103 103 ARG CA C 97 59.938 59.938 59.754 0.184 17610 12931 1 14 . 1 1 103 103 ARG CB C 97 28.599 28.599 29.628 -1.029 17610 12932 1 14 . 1 1 103 103 ARG H H 97 8.395 8.395 7.605 0.790 17610 12933 1 14 . 1 1 104 104 GLU N N 98 118.351 118.351 118.078 0.273 17610 12934 1 14 . 1 1 104 104 GLU HA H 98 3.781 3.781 3.903 -0.122 17610 12935 1 14 . 1 1 104 104 GLU C C 98 178.982 178.982 179.010 -0.028 17610 12936 1 14 . 1 1 104 104 GLU CA C 98 58.900 58.900 59.285 -0.385 17610 12937 1 14 . 1 1 104 104 GLU CB C 98 29.435 29.435 28.931 0.504 17610 12938 1 14 . 1 1 104 104 GLU H H 98 7.970 7.970 7.641 0.329 17610 12939 1 14 . 1 1 105 105 GLN N N 99 121.350 121.350 118.084 3.266 17610 12940 1 14 . 1 1 105 105 GLN HA H 99 3.946 3.946 4.110 -0.164 17610 12941 1 14 . 1 1 105 105 GLN C C 99 177.701 177.701 178.373 -0.672 17610 12942 1 14 . 1 1 105 105 GLN CA C 99 59.037 59.037 58.592 0.445 17610 12943 1 14 . 1 1 105 105 GLN CB C 99 27.938 27.938 28.745 -0.807 17610 12944 1 14 . 1 1 105 105 GLN H H 99 7.907 7.907 7.539 0.368 17610 12945 1 14 . 1 1 106 106 ILE N N 100 121.310 121.310 120.809 0.501 17610 12946 1 14 . 1 1 106 106 ILE HA H 100 3.177 3.177 3.467 -0.290 17610 12947 1 14 . 1 1 106 106 ILE C C 100 177.199 177.199 178.057 -0.858 17610 12948 1 14 . 1 1 106 106 ILE CA C 100 65.682 65.682 64.454 1.228 17610 12949 1 14 . 1 1 106 106 ILE CB C 100 37.874 37.874 37.421 0.453 17610 12950 1 14 . 1 1 106 106 ILE H H 100 7.920 7.920 7.290 0.630 17610 12951 1 14 . 1 1 107 107 LYS N N 101 118.584 118.584 120.323 -1.739 17610 12952 1 14 . 1 1 107 107 LYS HA H 101 3.951 3.951 3.989 -0.038 17610 12953 1 14 . 1 1 107 107 LYS C C 101 179.476 179.476 178.363 1.113 17610 12954 1 14 . 1 1 107 107 LYS CA C 101 59.571 59.571 59.618 -0.047 17610 12955 1 14 . 1 1 107 107 LYS CB C 101 32.227 32.227 32.221 0.006 17610 12956 1 14 . 1 1 107 107 LYS H H 101 7.782 7.782 7.900 -0.118 17610 12957 1 14 . 1 1 108 108 ARG N N 102 119.152 119.152 117.637 1.515 17610 12958 1 14 . 1 1 108 108 ARG HA H 102 4.082 4.082 3.971 0.111 17610 12959 1 14 . 1 1 108 108 ARG C C 102 179.582 179.582 178.564 1.018 17610 12960 1 14 . 1 1 108 108 ARG CA C 102 58.946 58.946 59.290 -0.344 17610 12961 1 14 . 1 1 108 108 ARG CB C 102 30.097 30.097 30.123 -0.026 17610 12962 1 14 . 1 1 108 108 ARG H H 102 7.777 7.777 7.333 0.444 17610 12963 1 14 . 1 1 109 109 VAL N N 103 119.544 119.544 119.029 0.515 17610 12964 1 14 . 1 1 109 109 VAL HA H 103 3.837 3.837 3.746 0.091 17610 12965 1 14 . 1 1 109 109 VAL C C 103 177.919 177.919 178.073 -0.154 17610 12966 1 14 . 1 1 109 109 VAL CA C 103 65.393 65.393 65.415 -0.022 17610 12967 1 14 . 1 1 109 109 VAL CB C 103 31.599 31.599 31.634 -0.035 17610 12968 1 14 . 1 1 109 109 VAL H H 103 8.282 8.282 7.558 0.724 17610 12969 1 14 . 1 1 110 110 LYS N N 104 117.592 117.592 117.978 -0.386 17610 12970 1 14 . 1 1 110 110 LYS HA H 104 4.269 4.269 4.211 0.058 17610 12971 1 14 . 1 1 110 110 LYS C C 104 175.878 175.878 176.666 -0.788 17610 12972 1 14 . 1 1 110 110 LYS CA C 104 54.797 54.797 57.182 -2.385 17610 12973 1 14 . 1 1 110 110 LYS CB C 104 30.687 30.687 32.438 -1.750 17610 12974 1 14 . 1 1 110 110 LYS H H 104 8.117 8.117 8.305 -0.188 17610 12975 1 14 . 1 1 111 111 ASP N N 105 122.118 122.118 117.316 4.802 17610 12976 1 14 . 1 1 111 111 ASP HA H 105 4.306 4.306 4.395 -0.089 17610 12977 1 14 . 1 1 111 111 ASP C C 105 174.496 174.496 174.958 -0.462 17610 12978 1 14 . 1 1 111 111 ASP CA C 105 54.442 54.442 55.422 -0.980 17610 12979 1 14 . 1 1 111 111 ASP CB C 105 39.792 39.792 39.443 0.349 17610 12980 1 14 . 1 1 111 111 ASP H H 105 7.958 7.958 7.967 -0.009 17610 12981 1 14 . 1 1 112 112 SER N N 106 110.372 110.372 112.520 -2.148 17610 12982 1 14 . 1 1 112 112 SER HA H 106 4.565 4.565 4.797 -0.232 17610 12983 1 14 . 1 1 112 112 SER C C 106 172.985 172.985 173.460 -0.475 17610 12984 1 14 . 1 1 112 112 SER CA C 106 56.779 56.779 57.355 -0.576 17610 12985 1 14 . 1 1 112 112 SER CB C 106 65.259 65.259 66.492 -1.233 17610 12986 1 14 . 1 1 112 112 SER H H 106 7.539 7.539 7.580 -0.041 17610 12987 1 14 . 1 1 113 113 ASP N N 107 123.301 123.301 121.513 1.788 17610 12988 1 14 . 1 1 113 113 ASP HA H 107 4.665 4.665 4.551 0.114 17610 12989 1 14 . 1 1 113 113 ASP C C 107 176.066 176.066 176.315 -0.249 17610 12990 1 14 . 1 1 113 113 ASP CA C 107 54.267 54.267 55.467 -1.200 17610 12991 1 14 . 1 1 113 113 ASP CB C 107 41.837 41.837 41.136 0.701 17610 12992 1 14 . 1 1 113 113 ASP H H 107 8.385 8.385 8.707 -0.322 17610 12993 1 14 . 1 1 114 114 ASP N N 108 122.347 122.347 121.232 1.115 17610 12994 1 14 . 1 1 114 114 ASP HA H 108 4.882 4.882 4.800 0.082 17610 12995 1 14 . 1 1 114 114 ASP C C 108 174.386 174.386 175.450 -1.064 17610 12996 1 14 . 1 1 114 114 ASP CA C 108 53.143 53.143 53.484 -0.341 17610 12997 1 14 . 1 1 114 114 ASP CB C 108 41.323 41.323 39.855 1.468 17610 12998 1 14 . 1 1 114 114 ASP H H 108 8.404 8.404 8.259 0.145 17610 12999 1 14 . 1 1 115 115 VAL N N 109 123.609 123.609 122.296 1.313 17610 13000 1 14 . 1 1 115 115 VAL HA H 109 4.337 4.337 4.110 0.227 17610 13001 1 14 . 1 1 115 115 VAL CA C 109 58.984 58.984 59.045 -0.061 17610 13002 1 14 . 1 1 115 115 VAL CB C 109 34.932 34.932 32.821 2.111 17610 13003 1 14 . 1 1 115 115 VAL H H 109 7.649 7.649 7.540 0.109 17610 13004 1 14 . 1 1 116 116 PRO HA H 110 4.430 4.430 4.508 -0.078 17610 13005 1 14 . 1 1 116 116 PRO C C 110 175.942 175.942 175.438 0.504 17610 13006 1 14 . 1 1 116 116 PRO CA C 110 63.872 63.872 63.262 0.610 17610 13007 1 14 . 1 1 116 116 PRO CB C 110 32.120 32.120 30.242 1.878 17610 13008 1 14 . 1 1 117 117 MET N N 111 124.020 124.020 119.344 4.676 17610 13009 1 14 . 1 1 117 117 MET HA H 111 5.777 5.777 5.626 0.151 17610 13010 1 14 . 1 1 117 117 MET C C 111 173.737 173.737 173.738 -0.001 17610 13011 1 14 . 1 1 117 117 MET CA C 111 55.094 55.094 53.868 1.226 17610 13012 1 14 . 1 1 117 117 MET CB C 111 37.889 37.889 36.571 1.318 17610 13013 1 14 . 1 1 117 117 MET H H 111 8.274 8.274 7.840 0.434 17610 13014 1 14 . 1 1 118 118 VAL N N 112 118.747 118.747 115.668 3.079 17610 13015 1 14 . 1 1 118 118 VAL HA H 112 4.341 4.341 4.505 -0.164 17610 13016 1 14 . 1 1 118 118 VAL C C 112 173.171 173.171 173.655 -0.484 17610 13017 1 14 . 1 1 118 118 VAL CA C 112 60.943 60.943 60.358 0.585 17610 13018 1 14 . 1 1 118 118 VAL CB C 112 37.030 37.030 36.155 0.875 17610 13019 1 14 . 1 1 118 118 VAL H H 112 8.119 8.119 8.114 0.005 17610 13020 1 14 . 1 1 119 119 LEU N N 113 129.931 129.931 125.609 4.322 17610 13021 1 14 . 1 1 119 119 LEU HA H 113 5.157 5.157 5.475 -0.318 17610 13022 1 14 . 1 1 119 119 LEU C C 113 173.496 173.496 175.133 -1.637 17610 13023 1 14 . 1 1 119 119 LEU CA C 113 53.828 53.828 52.663 1.165 17610 13024 1 14 . 1 1 119 119 LEU CB C 113 43.876 43.876 44.371 -0.495 17610 13025 1 14 . 1 1 119 119 LEU H H 113 8.918 8.918 8.151 0.767 17610 13026 1 14 . 1 1 120 120 VAL N N 114 129.371 129.371 118.454 10.917 17610 13027 1 14 . 1 1 120 120 VAL HA H 114 5.117 5.117 5.080 0.037 17610 13028 1 14 . 1 1 120 120 VAL C C 114 173.667 173.667 174.525 -0.858 17610 13029 1 14 . 1 1 120 120 VAL CA C 114 60.124 60.124 58.881 1.243 17610 13030 1 14 . 1 1 120 120 VAL CB C 114 35.225 35.225 35.150 0.075 17610 13031 1 14 . 1 1 120 120 VAL H H 114 9.173 9.173 8.941 0.232 17610 13032 1 14 . 1 1 121 121 GLY N N 115 115.789 115.789 109.163 6.626 17610 13033 1 14 . 1 1 121 121 GLY C C 115 171.603 171.603 173.915 -2.312 17610 13034 1 14 . 1 1 121 121 GLY CA C 115 45.256 45.256 43.835 1.421 17610 13035 1 14 . 1 1 121 121 GLY H H 115 8.046 8.046 8.201 -0.155 17610 13036 1 14 . 1 1 122 122 ASN N N 116 122.349 122.349 122.585 -0.236 17610 13037 1 14 . 1 1 122 122 ASN HA H 116 5.620 5.620 4.609 1.011 17610 13038 1 14 . 1 1 122 122 ASN C C 116 174.732 174.732 175.450 -0.718 17610 13039 1 14 . 1 1 122 122 ASN CA C 116 51.492 51.492 53.211 -1.719 17610 13040 1 14 . 1 1 122 122 ASN CB C 116 41.323 41.323 39.789 1.534 17610 13041 1 14 . 1 1 122 122 ASN H H 116 8.756 8.756 7.893 0.863 17610 13042 1 14 . 1 1 123 123 LYS N N 117 113.297 113.297 116.356 -3.059 17610 13043 1 14 . 1 1 123 123 LYS HA H 117 4.280 4.280 3.937 0.343 17610 13044 1 14 . 1 1 123 123 LYS C C 117 177.324 177.324 175.509 1.815 17610 13045 1 14 . 1 1 123 123 LYS CA C 117 57.273 57.273 57.580 -0.307 17610 13046 1 14 . 1 1 123 123 LYS CB C 117 29.775 29.775 29.823 -0.048 17610 13047 1 14 . 1 1 123 123 LYS H H 117 7.342 7.342 8.743 -1.401 17610 13048 1 14 . 1 1 124 124 CYS N N 118 115.340 115.340 118.513 -3.173 17610 13049 1 14 . 1 1 124 124 CYS HA H 118 4.292 4.292 4.429 -0.137 17610 13050 1 14 . 1 1 124 124 CYS C C 118 173.325 173.325 174.758 -1.433 17610 13051 1 14 . 1 1 124 124 CYS CA C 118 60.698 60.698 58.870 1.828 17610 13052 1 14 . 1 1 124 124 CYS CB C 118 26.387 26.387 27.723 -1.335 17610 13053 1 14 . 1 1 124 124 CYS H H 118 8.763 8.763 8.274 0.489 17610 13054 1 14 . 1 1 125 125 ASP N N 119 118.603 118.603 119.010 -0.407 17610 13055 1 14 . 1 1 125 125 ASP HA H 119 4.476 4.476 4.561 -0.085 17610 13056 1 14 . 1 1 125 125 ASP C C 119 175.464 175.464 175.784 -0.320 17610 13057 1 14 . 1 1 125 125 ASP CA C 119 53.951 53.951 54.141 -0.190 17610 13058 1 14 . 1 1 125 125 ASP CB C 119 41.323 41.323 40.170 1.153 17610 13059 1 14 . 1 1 125 125 ASP H H 119 8.613 8.613 8.212 0.401 17610 13060 1 14 . 1 1 126 126 LEU N N 120 122.098 122.098 121.720 0.378 17610 13061 1 14 . 1 1 126 126 LEU HA H 120 4.241 4.241 4.138 0.103 17610 13062 1 14 . 1 1 126 126 LEU C C 120 176.420 176.420 177.230 -0.810 17610 13063 1 14 . 1 1 126 126 LEU CA C 120 54.723 54.723 55.114 -0.390 17610 13064 1 14 . 1 1 126 126 LEU CB C 120 41.837 41.837 42.752 -0.915 17610 13065 1 14 . 1 1 126 126 LEU H H 120 7.802 7.802 7.707 0.095 17610 13066 1 14 . 1 1 127 127 ALA N N 121 123.959 123.959 122.307 1.652 17610 13067 1 14 . 1 1 127 127 ALA HA H 121 4.214 4.214 4.510 -0.296 17610 13068 1 14 . 1 1 127 127 ALA C C 121 178.717 178.717 176.348 2.369 17610 13069 1 14 . 1 1 127 127 ALA CA C 121 53.179 53.179 52.112 1.067 17610 13070 1 14 . 1 1 127 127 ALA CB C 121 18.871 18.871 19.400 -0.529 17610 13071 1 14 . 1 1 127 127 ALA H H 121 8.160 8.160 8.393 -0.233 17610 13072 1 14 . 1 1 128 128 ALA N N 122 123.078 123.078 121.440 1.638 17610 13073 1 14 . 1 1 128 128 ALA HA H 122 4.524 4.524 4.536 -0.012 17610 13074 1 14 . 1 1 128 128 ALA C C 122 175.272 175.272 176.336 -1.064 17610 13075 1 14 . 1 1 128 128 ALA CA C 122 51.259 51.259 51.707 -0.448 17610 13076 1 14 . 1 1 128 128 ALA CB C 122 17.623 17.623 18.955 -1.332 17610 13077 1 14 . 1 1 128 128 ALA H H 122 7.698 7.698 7.837 -0.139 17610 13078 1 14 . 1 1 129 129 ARG N N 123 121.454 121.454 119.616 1.838 17610 13079 1 14 . 1 1 129 129 ARG HA H 123 4.093 4.093 4.282 -0.189 17610 13080 1 14 . 1 1 129 129 ARG C C 123 176.271 176.271 175.746 0.525 17610 13081 1 14 . 1 1 129 129 ARG CA C 123 55.596 55.596 55.720 -0.124 17610 13082 1 14 . 1 1 129 129 ARG CB C 123 32.696 32.696 30.878 1.818 17610 13083 1 14 . 1 1 129 129 ARG H H 123 7.992 7.992 7.778 0.214 17610 13084 1 14 . 1 1 130 130 THR N N 124 115.617 115.617 112.876 2.741 17610 13085 1 14 . 1 1 130 130 THR HA H 124 4.564 4.564 4.465 0.099 17610 13086 1 14 . 1 1 130 130 THR C C 124 174.119 174.119 175.205 -1.086 17610 13087 1 14 . 1 1 130 130 THR CA C 124 61.746 61.746 62.443 -0.697 17610 13088 1 14 . 1 1 130 130 THR CB C 124 69.094 69.094 70.658 -1.564 17610 13089 1 14 . 1 1 130 130 THR H H 124 9.145 9.145 8.774 0.371 17610 13090 1 14 . 1 1 131 131 VAL N N 125 125.688 125.688 125.708 -0.020 17610 13091 1 14 . 1 1 131 131 VAL HA H 125 4.015 4.015 3.974 0.041 17610 13092 1 14 . 1 1 131 131 VAL C C 125 175.658 175.658 175.127 0.531 17610 13093 1 14 . 1 1 131 131 VAL CA C 125 61.373 61.373 62.249 -0.876 17610 13094 1 14 . 1 1 131 131 VAL CB C 125 33.147 33.147 31.521 1.626 17610 13095 1 14 . 1 1 131 131 VAL H H 125 7.618 7.618 8.242 -0.624 17610 13096 1 14 . 1 1 132 132 GLU N N 126 128.319 128.319 126.393 1.926 17610 13097 1 14 . 1 1 132 132 GLU HA H 126 4.228 4.228 4.170 0.058 17610 13098 1 14 . 1 1 132 132 GLU C C 126 177.986 177.986 177.040 0.946 17610 13099 1 14 . 1 1 132 132 GLU CA C 126 56.323 56.323 56.590 -0.266 17610 13100 1 14 . 1 1 132 132 GLU CB C 126 30.158 30.158 30.144 0.014 17610 13101 1 14 . 1 1 132 132 GLU H H 126 8.727 8.727 8.184 0.543 17610 13102 1 14 . 1 1 133 133 SER N N 127 122.970 122.970 117.222 5.748 17610 13103 1 14 . 1 1 133 133 SER HA H 127 4.074 4.074 4.144 -0.070 17610 13104 1 14 . 1 1 133 133 SER C C 127 176.633 176.633 176.313 0.320 17610 13105 1 14 . 1 1 133 133 SER CA C 127 62.598 62.598 60.954 1.644 17610 13106 1 14 . 1 1 133 133 SER CB C 127 62.511 62.511 63.103 -0.592 17610 13107 1 14 . 1 1 133 133 SER H H 127 9.421 9.421 8.739 0.682 17610 13108 1 14 . 1 1 134 134 ARG N N 128 119.141 119.141 120.742 -1.601 17610 13109 1 14 . 1 1 134 134 ARG HA H 128 4.028 4.028 3.872 0.156 17610 13110 1 14 . 1 1 134 134 ARG C C 128 177.739 177.739 178.167 -0.428 17610 13111 1 14 . 1 1 134 134 ARG CA C 128 58.785 58.785 58.618 0.167 17610 13112 1 14 . 1 1 134 134 ARG CB C 128 29.752 29.752 28.803 0.949 17610 13113 1 14 . 1 1 134 134 ARG H H 128 8.675 8.675 8.558 0.117 17610 13114 1 14 . 1 1 135 135 GLN N N 129 118.050 118.050 118.702 -0.652 17610 13115 1 14 . 1 1 135 135 GLN HA H 129 4.091 4.091 4.031 0.060 17610 13116 1 14 . 1 1 135 135 GLN C C 129 179.009 179.009 177.254 1.755 17610 13117 1 14 . 1 1 135 135 GLN CA C 129 58.389 58.389 58.575 -0.186 17610 13118 1 14 . 1 1 135 135 GLN CB C 129 28.916 28.916 28.277 0.639 17610 13119 1 14 . 1 1 135 135 GLN H H 129 6.796 6.796 7.713 -0.917 17610 13120 1 14 . 1 1 136 136 ALA N N 130 124.769 124.769 121.349 3.420 17610 13121 1 14 . 1 1 136 136 ALA HA H 130 3.933 3.933 3.469 0.464 17610 13122 1 14 . 1 1 136 136 ALA C C 130 178.155 178.155 179.399 -1.244 17610 13123 1 14 . 1 1 136 136 ALA CA C 130 54.760 54.760 54.103 0.657 17610 13124 1 14 . 1 1 136 136 ALA CB C 130 18.546 18.546 17.877 0.669 17610 13125 1 14 . 1 1 136 136 ALA H H 130 7.017 7.017 7.326 -0.309 17610 13126 1 14 . 1 1 137 137 GLN N N 131 119.215 119.215 117.658 1.557 17610 13127 1 14 . 1 1 137 137 GLN HA H 131 3.720 3.720 3.583 0.137 17610 13128 1 14 . 1 1 137 137 GLN C C 131 179.387 179.387 177.913 1.474 17610 13129 1 14 . 1 1 137 137 GLN CA C 131 58.815 58.815 59.317 -0.502 17610 13130 1 14 . 1 1 137 137 GLN CB C 131 28.503 28.503 28.276 0.227 17610 13131 1 14 . 1 1 137 137 GLN H H 131 8.602 8.602 7.708 0.894 17610 13132 1 14 . 1 1 138 138 ASP N N 132 121.298 121.298 120.426 0.872 17610 13133 1 14 . 1 1 138 138 ASP HA H 132 4.371 4.371 4.335 0.036 17610 13134 1 14 . 1 1 138 138 ASP C C 132 178.855 178.855 178.531 0.324 17610 13135 1 14 . 1 1 138 138 ASP CA C 132 57.425 57.425 57.337 0.088 17610 13136 1 14 . 1 1 138 138 ASP CB C 132 40.860 40.860 40.567 0.293 17610 13137 1 14 . 1 1 138 138 ASP H H 132 8.203 8.203 7.779 0.424 17610 13138 1 14 . 1 1 139 139 LEU N N 133 124.786 124.786 120.624 4.162 17610 13139 1 14 . 1 1 139 139 LEU HA H 133 3.888 3.888 3.902 -0.014 17610 13140 1 14 . 1 1 139 139 LEU C C 133 178.953 178.953 177.832 1.121 17610 13141 1 14 . 1 1 139 139 LEU CA C 133 57.827 57.827 57.424 0.403 17610 13142 1 14 . 1 1 139 139 LEU CB C 133 41.837 41.837 41.900 -0.063 17610 13143 1 14 . 1 1 139 139 LEU H H 133 7.485 7.485 7.256 0.229 17610 13144 1 14 . 1 1 140 140 ALA N N 134 123.038 123.038 121.521 1.517 17610 13145 1 14 . 1 1 140 140 ALA HA H 134 3.783 3.783 4.090 -0.307 17610 13146 1 14 . 1 1 140 140 ALA C C 134 179.902 179.902 179.323 0.579 17610 13147 1 14 . 1 1 140 140 ALA CA C 134 55.832 55.832 55.479 0.353 17610 13148 1 14 . 1 1 140 140 ALA CB C 134 18.120 18.120 18.539 -0.419 17610 13149 1 14 . 1 1 140 140 ALA H H 134 8.426 8.426 7.711 0.715 17610 13150 1 14 . 1 1 141 141 ARG N N 135 119.537 119.537 117.929 1.608 17610 13151 1 14 . 1 1 141 141 ARG HA H 135 4.194 4.194 4.018 0.176 17610 13152 1 14 . 1 1 141 141 ARG C C 135 180.037 180.037 178.417 1.620 17610 13153 1 14 . 1 1 141 141 ARG CA C 135 59.331 59.331 59.228 0.103 17610 13154 1 14 . 1 1 141 141 ARG CB C 135 29.864 29.864 30.209 -0.345 17610 13155 1 14 . 1 1 141 141 ARG H H 135 8.459 8.459 8.554 -0.095 17610 13156 1 14 . 1 1 142 142 SER N N 136 118.958 118.958 112.795 6.163 17610 13157 1 14 . 1 1 142 142 SER HA H 136 4.277 4.277 4.228 0.049 17610 13158 1 14 . 1 1 142 142 SER C C 136 176.127 176.127 175.691 0.436 17610 13159 1 14 . 1 1 142 142 SER CA C 136 61.509 61.509 60.211 1.298 17610 13160 1 14 . 1 1 142 142 SER CB C 136 62.529 62.529 62.809 -0.280 17610 13161 1 14 . 1 1 142 142 SER H H 136 7.944 7.944 7.396 0.548 17610 13162 1 14 . 1 1 143 143 TYR N N 137 121.309 121.309 118.750 2.559 17610 13163 1 14 . 1 1 143 143 TYR HA H 137 4.907 4.907 4.442 0.465 17610 13164 1 14 . 1 1 143 143 TYR C C 137 176.279 176.279 176.552 -0.273 17610 13165 1 14 . 1 1 143 143 TYR CA C 137 54.737 54.737 57.018 -2.281 17610 13166 1 14 . 1 1 143 143 TYR CB C 137 38.830 38.830 38.478 0.352 17610 13167 1 14 . 1 1 143 143 TYR H H 137 7.623 7.623 7.096 0.527 17610 13168 1 14 . 1 1 144 144 GLY N N 138 112.193 112.193 106.948 5.245 17610 13169 1 14 . 1 1 144 144 GLY C C 138 175.077 175.077 174.314 0.763 17610 13170 1 14 . 1 1 144 144 GLY CA C 138 46.439 46.439 45.230 1.209 17610 13171 1 14 . 1 1 144 144 GLY H H 138 8.328 8.328 7.599 0.729 17610 13172 1 14 . 1 1 145 145 ILE N N 139 114.227 114.227 116.515 -2.288 17610 13173 1 14 . 1 1 145 145 ILE HA H 139 5.241 5.241 4.763 0.478 17610 13174 1 14 . 1 1 145 145 ILE CA C 139 58.420 58.420 57.940 0.480 17610 13175 1 14 . 1 1 145 145 ILE CB C 139 38.543 38.543 39.108 -0.564 17610 13176 1 14 . 1 1 145 145 ILE H H 139 8.059 8.059 7.714 0.345 17610 13177 1 14 . 1 1 146 146 PRO HA H 140 4.627 4.627 4.519 0.108 17610 13178 1 14 . 1 1 146 146 PRO C C 140 174.570 174.570 175.264 -0.694 17610 13179 1 14 . 1 1 146 146 PRO CA C 140 62.362 62.362 62.301 0.061 17610 13180 1 14 . 1 1 146 146 PRO CB C 140 33.057 33.057 32.588 0.469 17610 13181 1 14 . 1 1 147 147 TYR N N 141 121.135 121.135 120.263 0.872 17610 13182 1 14 . 1 1 147 147 TYR HA H 141 5.997 5.997 5.607 0.390 17610 13183 1 14 . 1 1 147 147 TYR C C 141 174.492 174.492 174.779 -0.287 17610 13184 1 14 . 1 1 147 147 TYR CA C 141 54.912 54.912 56.311 -1.399 17610 13185 1 14 . 1 1 147 147 TYR CB C 141 40.972 40.972 40.439 0.533 17610 13186 1 14 . 1 1 147 147 TYR H H 141 8.252 8.252 8.439 -0.187 17610 13187 1 14 . 1 1 148 148 ILE N N 142 131.362 131.362 128.137 3.225 17610 13188 1 14 . 1 1 148 148 ILE HA H 142 3.948 3.948 4.338 -0.390 17610 13189 1 14 . 1 1 148 148 ILE C C 142 172.977 172.977 174.106 -1.129 17610 13190 1 14 . 1 1 148 148 ILE CA C 142 59.383 59.383 59.486 -0.103 17610 13191 1 14 . 1 1 148 148 ILE CB C 142 42.260 42.260 41.881 0.379 17610 13192 1 14 . 1 1 148 148 ILE H H 142 8.495 8.495 8.426 0.069 17610 13193 1 14 . 1 1 149 149 GLU N N 143 125.874 125.874 121.436 4.438 17610 13194 1 14 . 1 1 149 149 GLU HA H 143 4.788 4.788 4.495 0.293 17610 13195 1 14 . 1 1 149 149 GLU C C 143 176.128 176.128 175.280 0.848 17610 13196 1 14 . 1 1 149 149 GLU CA C 143 55.647 55.647 55.030 0.617 17610 13197 1 14 . 1 1 149 149 GLU CB C 143 29.727 29.727 31.695 -1.968 17610 13198 1 14 . 1 1 149 149 GLU H H 143 7.827 7.827 8.501 -0.674 17610 13199 1 14 . 1 1 150 150 THR N N 144 113.629 113.629 113.728 -0.099 17610 13200 1 14 . 1 1 150 150 THR HA H 144 5.081 5.081 5.370 -0.289 17610 13201 1 14 . 1 1 150 150 THR C C 144 176.136 176.136 173.214 2.922 17610 13202 1 14 . 1 1 150 150 THR CA C 144 59.464 59.464 59.304 0.160 17610 13203 1 14 . 1 1 150 150 THR CB C 144 73.639 73.639 71.443 2.196 17610 13204 1 14 . 1 1 150 150 THR H H 144 8.800 8.800 8.242 0.558 17610 13205 1 14 . 1 1 151 151 SER N N 145 113.706 113.706 114.734 -1.028 17610 13206 1 14 . 1 1 151 151 SER HA H 145 4.883 4.883 5.023 -0.140 17610 13207 1 14 . 1 1 151 151 SER C C 145 175.707 175.707 174.321 1.386 17610 13208 1 14 . 1 1 151 151 SER CA C 145 57.438 57.438 57.089 0.349 17610 13209 1 14 . 1 1 151 151 SER CB C 145 64.470 64.470 65.549 -1.079 17610 13210 1 14 . 1 1 151 151 SER H H 145 8.807 8.807 8.112 0.695 17610 13211 1 14 . 1 1 152 152 ALA N N 146 133.500 133.500 128.875 4.625 17610 13212 1 14 . 1 1 152 152 ALA HA H 146 3.890 3.890 4.101 -0.211 17610 13213 1 14 . 1 1 152 152 ALA C C 146 175.632 175.632 177.544 -1.912 17610 13214 1 14 . 1 1 152 152 ALA CA C 146 54.416 54.416 54.774 -0.358 17610 13215 1 14 . 1 1 152 152 ALA CB C 146 18.605 18.605 18.788 -0.183 17610 13216 1 14 . 1 1 152 152 ALA H H 146 9.134 9.134 8.515 0.619 17610 13217 1 14 . 1 1 153 153 LYS N N 147 117.223 117.223 117.072 0.151 17610 13218 1 14 . 1 1 153 153 LYS HA H 147 2.616 2.616 4.396 -1.780 17610 13219 1 14 . 1 1 153 153 LYS C C 147 177.045 177.045 178.299 -1.254 17610 13220 1 14 . 1 1 153 153 LYS CA C 147 58.119 58.119 58.728 -0.610 17610 13221 1 14 . 1 1 153 153 LYS CB C 147 33.956 33.956 32.648 1.308 17610 13222 1 14 . 1 1 153 153 LYS H H 147 7.042 7.042 8.367 -1.325 17610 13223 1 14 . 1 1 154 154 THR N N 148 107.404 107.404 111.317 -3.913 17610 13224 1 14 . 1 1 154 154 THR HA H 148 4.157 4.157 4.183 -0.026 17610 13225 1 14 . 1 1 154 154 THR C C 148 175.979 175.979 174.940 1.039 17610 13226 1 14 . 1 1 154 154 THR CA C 148 61.489 61.489 62.854 -1.365 17610 13227 1 14 . 1 1 154 154 THR CB C 148 69.911 69.911 69.614 0.297 17610 13228 1 14 . 1 1 154 154 THR H H 148 7.721 7.721 7.901 -0.180 17610 13229 1 14 . 1 1 155 155 ARG N N 149 119.268 119.268 120.379 -1.111 17610 13230 1 14 . 1 1 155 155 ARG HA H 149 3.476 3.476 4.027 -0.551 17610 13231 1 14 . 1 1 155 155 ARG C C 149 175.481 175.481 174.121 1.360 17610 13232 1 14 . 1 1 155 155 ARG CA C 149 59.653 59.653 56.916 2.737 17610 13233 1 14 . 1 1 155 155 ARG CB C 149 30.445 30.445 28.077 2.368 17610 13234 1 14 . 1 1 155 155 ARG H H 149 7.814 7.814 8.059 -0.245 17610 13235 1 14 . 1 1 156 156 GLN N N 150 125.391 125.391 121.933 3.458 17610 13236 1 14 . 1 1 156 156 GLN HA H 150 4.065 4.065 4.493 -0.428 17610 13237 1 14 . 1 1 156 156 GLN C C 150 177.007 177.007 175.817 1.190 17610 13238 1 14 . 1 1 156 156 GLN CA C 150 57.433 57.433 55.046 2.387 17610 13239 1 14 . 1 1 156 156 GLN CB C 150 28.472 28.472 30.861 -2.389 17610 13240 1 14 . 1 1 156 156 GLN H H 150 7.833 7.833 7.763 0.070 17610 13241 1 14 . 1 1 157 157 GLY N N 151 116.380 116.380 113.906 2.474 17610 13242 1 14 . 1 1 157 157 GLY C C 151 173.581 173.581 175.033 -1.452 17610 13243 1 14 . 1 1 157 157 GLY CA C 151 46.945 46.945 46.614 0.331 17610 13244 1 14 . 1 1 157 157 GLY H H 151 8.936 8.936 9.090 -0.154 17610 13245 1 14 . 1 1 158 158 VAL N N 152 121.822 121.822 115.777 6.045 17610 13246 1 14 . 1 1 158 158 VAL HA H 152 3.221 3.221 3.519 -0.298 17610 13247 1 14 . 1 1 158 158 VAL C C 152 177.006 177.006 177.160 -0.154 17610 13248 1 14 . 1 1 158 158 VAL CA C 152 68.314 68.314 65.266 3.047 17610 13249 1 14 . 1 1 158 158 VAL CB C 152 31.473 31.473 31.717 -0.244 17610 13250 1 14 . 1 1 158 158 VAL H H 152 7.099 7.099 7.979 -0.880 17610 13251 1 14 . 1 1 159 159 GLU N N 153 118.087 118.087 120.186 -2.099 17610 13252 1 14 . 1 1 159 159 GLU HA H 153 3.305 3.305 4.165 -0.860 17610 13253 1 14 . 1 1 159 159 GLU C C 153 177.163 177.163 178.154 -0.991 17610 13254 1 14 . 1 1 159 159 GLU CA C 153 60.407 60.407 59.580 0.827 17610 13255 1 14 . 1 1 159 159 GLU CB C 153 28.787 28.787 28.841 -0.054 17610 13256 1 14 . 1 1 159 159 GLU H H 153 8.271 8.271 8.638 -0.367 17610 13257 1 14 . 1 1 160 160 ASP N N 154 117.624 117.624 119.858 -2.234 17610 13258 1 14 . 1 1 160 160 ASP HA H 154 4.205 4.205 4.547 -0.342 17610 13259 1 14 . 1 1 160 160 ASP C C 154 179.366 179.366 178.070 1.296 17610 13260 1 14 . 1 1 160 160 ASP CA C 154 57.288 57.288 57.658 -0.370 17610 13261 1 14 . 1 1 160 160 ASP CB C 154 40.040 40.040 40.405 -0.365 17610 13262 1 14 . 1 1 160 160 ASP H H 154 8.145 8.145 8.378 -0.233 17610 13263 1 14 . 1 1 161 161 ALA N N 155 125.270 125.270 121.522 3.748 17610 13264 1 14 . 1 1 161 161 ALA HA H 155 3.749 3.749 4.044 -0.295 17610 13265 1 14 . 1 1 161 161 ALA C C 155 177.684 177.684 179.267 -1.583 17610 13266 1 14 . 1 1 161 161 ALA CA C 155 56.295 56.295 54.550 1.746 17610 13267 1 14 . 1 1 161 161 ALA CB C 155 17.397 17.397 18.349 -0.953 17610 13268 1 14 . 1 1 161 161 ALA H H 155 8.603 8.603 7.346 1.257 17610 13269 1 14 . 1 1 162 162 PHE N N 156 113.772 113.772 118.057 -4.285 17610 13270 1 14 . 1 1 162 162 PHE HA H 156 3.912 3.912 4.118 -0.206 17610 13271 1 14 . 1 1 162 162 PHE C C 156 177.975 177.975 178.352 -0.377 17610 13272 1 14 . 1 1 162 162 PHE CA C 156 62.851 62.851 61.084 1.767 17610 13273 1 14 . 1 1 162 162 PHE CB C 156 39.472 39.472 38.389 1.083 17610 13274 1 14 . 1 1 162 162 PHE H H 156 7.236 7.236 7.257 -0.021 17610 13275 1 14 . 1 1 163 163 TYR N N 157 120.499 120.499 118.378 2.121 17610 13276 1 14 . 1 1 163 163 TYR HA H 157 4.355 4.355 4.172 0.183 17610 13277 1 14 . 1 1 163 163 TYR C C 157 179.097 179.097 177.890 1.207 17610 13278 1 14 . 1 1 163 163 TYR CA C 157 58.309 58.309 60.959 -2.650 17610 13279 1 14 . 1 1 163 163 TYR CB C 157 35.012 35.012 37.064 -2.052 17610 13280 1 14 . 1 1 163 163 TYR H H 157 9.573 9.573 8.705 0.868 17610 13281 1 14 . 1 1 164 164 THR N N 158 118.206 118.206 115.678 2.528 17610 13282 1 14 . 1 1 164 164 THR HA H 158 3.903 3.903 3.976 -0.073 17610 13283 1 14 . 1 1 164 164 THR C C 158 175.656 175.656 176.326 -0.670 17610 13284 1 14 . 1 1 164 164 THR CA C 158 67.484 67.484 66.727 0.757 17610 13285 1 14 . 1 1 164 164 THR CB C 158 67.819 67.819 68.327 -0.508 17610 13286 1 14 . 1 1 164 164 THR H H 158 8.538 8.538 7.821 0.717 17610 13287 1 14 . 1 1 165 165 LEU N N 159 122.864 122.864 120.918 1.946 17610 13288 1 14 . 1 1 165 165 LEU HA H 159 3.871 3.871 4.137 -0.266 17610 13289 1 14 . 1 1 165 165 LEU C C 159 177.513 177.513 177.937 -0.424 17610 13290 1 14 . 1 1 165 165 LEU CA C 159 57.991 57.991 57.788 0.202 17610 13291 1 14 . 1 1 165 165 LEU CB C 159 40.181 40.181 40.874 -0.693 17610 13292 1 14 . 1 1 165 165 LEU H H 159 7.232 7.232 7.742 -0.510 17610 13293 1 14 . 1 1 166 166 VAL N N 160 120.322 120.322 118.987 1.335 17610 13294 1 14 . 1 1 166 166 VAL HA H 160 3.045 3.045 3.284 -0.239 17610 13295 1 14 . 1 1 166 166 VAL C C 160 177.474 177.474 178.452 -0.978 17610 13296 1 14 . 1 1 166 166 VAL CA C 160 67.389 67.389 65.955 1.434 17610 13297 1 14 . 1 1 166 166 VAL CB C 160 30.944 30.944 30.804 0.140 17610 13298 1 14 . 1 1 166 166 VAL H H 160 7.517 7.517 7.535 -0.018 17610 13299 1 14 . 1 1 167 167 ARG N N 161 120.151 120.151 119.268 0.883 17610 13300 1 14 . 1 1 167 167 ARG HA H 161 3.772 3.772 3.939 -0.167 17610 13301 1 14 . 1 1 167 167 ARG C C 161 179.030 179.030 178.757 0.273 17610 13302 1 14 . 1 1 167 167 ARG CA C 161 60.935 60.935 60.065 0.871 17610 13303 1 14 . 1 1 167 167 ARG CB C 161 29.586 29.586 30.106 -0.520 17610 13304 1 14 . 1 1 167 167 ARG H H 161 8.044 8.044 7.465 0.579 17610 13305 1 14 . 1 1 168 168 GLU N N 162 119.201 119.201 120.379 -1.178 17610 13306 1 14 . 1 1 168 168 GLU HA H 162 4.050 4.050 4.161 -0.111 17610 13307 1 14 . 1 1 168 168 GLU C C 162 179.805 179.805 179.096 0.709 17610 13308 1 14 . 1 1 168 168 GLU CA C 162 58.867 58.867 59.349 -0.481 17610 13309 1 14 . 1 1 168 168 GLU CB C 162 30.330 30.330 29.252 1.078 17610 13310 1 14 . 1 1 168 168 GLU H H 162 8.171 8.171 7.694 0.477 17610 13311 1 14 . 1 1 169 169 ILE N N 163 123.244 123.244 119.503 3.741 17610 13312 1 14 . 1 1 169 169 ILE HA H 163 3.583 3.583 3.845 -0.262 17610 13313 1 14 . 1 1 169 169 ILE C C 163 178.906 178.906 177.834 1.072 17610 13314 1 14 . 1 1 169 169 ILE CA C 163 66.023 66.023 65.256 0.767 17610 13315 1 14 . 1 1 169 169 ILE CB C 163 38.204 38.204 37.901 0.303 17610 13316 1 14 . 1 1 169 169 ILE H H 163 8.174 8.174 8.027 0.147 17610 13317 1 14 . 1 1 170 170 ARG N N 164 119.842 119.842 118.218 1.624 17610 13318 1 14 . 1 1 170 170 ARG HA H 164 4.140 4.140 4.127 0.013 17610 13319 1 14 . 1 1 170 170 ARG C C 164 177.532 177.532 178.474 -0.942 17610 13320 1 14 . 1 1 170 170 ARG CA C 164 58.944 58.944 58.602 0.342 17610 13321 1 14 . 1 1 170 170 ARG CB C 164 31.206 31.206 30.357 0.849 17610 13322 1 14 . 1 1 170 170 ARG H H 164 8.405 8.405 7.635 0.770 17610 13323 1 14 . 1 1 171 171 GLN N N 165 116.762 116.762 116.213 0.549 17610 13324 1 14 . 1 1 171 171 GLN HA H 165 4.343 4.343 4.182 0.161 17610 13325 1 14 . 1 1 171 171 GLN C C 165 175.218 175.218 176.636 -1.418 17610 13326 1 14 . 1 1 171 171 GLN CA C 165 56.100 56.100 57.456 -1.356 17610 13327 1 14 . 1 1 171 171 GLN CB C 165 29.236 29.236 29.077 0.159 17610 13328 1 14 . 1 1 171 171 GLN H H 165 7.646 7.646 7.748 -0.102 17610 13329 1 15 . 1 1 8 8 THR N N 2 124.188 124.188 116.915 7.273 17610 13330 1 15 . 1 1 8 8 THR HA H 2 3.983 3.983 4.448 -0.465 17610 13331 1 15 . 1 1 8 8 THR C C 2 171.971 171.971 173.153 -1.182 17610 13332 1 15 . 1 1 8 8 THR CA C 2 63.551 63.551 61.626 1.925 17610 13333 1 15 . 1 1 8 8 THR CB C 2 69.619 69.619 70.605 -0.985 17610 13334 1 15 . 1 1 8 8 THR H H 2 8.667 8.667 8.337 0.330 17610 13335 1 15 . 1 1 9 9 GLU N N 3 127.895 127.895 125.261 2.634 17610 13336 1 15 . 1 1 9 9 GLU HA H 3 5.280 5.280 4.428 0.852 17610 13337 1 15 . 1 1 9 9 GLU C C 3 175.089 175.089 175.052 0.037 17610 13338 1 15 . 1 1 9 9 GLU CA C 3 53.636 53.636 55.683 -2.047 17610 13339 1 15 . 1 1 9 9 GLU CB C 3 32.029 32.029 30.833 1.196 17610 13340 1 15 . 1 1 9 9 GLU H H 3 8.316 8.316 8.515 -0.199 17610 13341 1 15 . 1 1 10 10 TYR N N 4 123.375 123.375 125.491 -2.116 17610 13342 1 15 . 1 1 10 10 TYR HA H 4 5.131 5.131 4.691 0.440 17610 13343 1 15 . 1 1 10 10 TYR C C 4 174.621 174.621 175.554 -0.933 17610 13344 1 15 . 1 1 10 10 TYR CA C 4 56.649 56.649 56.845 -0.196 17610 13345 1 15 . 1 1 10 10 TYR CB C 4 41.323 41.323 41.076 0.247 17610 13346 1 15 . 1 1 10 10 TYR H H 4 8.739 8.739 8.130 0.609 17610 13347 1 15 . 1 1 11 11 LYS N N 5 125.147 125.147 124.559 0.588 17610 13348 1 15 . 1 1 11 11 LYS HA H 5 5.168 5.168 4.608 0.560 17610 13349 1 15 . 1 1 11 11 LYS C C 5 175.291 175.291 175.154 0.137 17610 13350 1 15 . 1 1 11 11 LYS CA C 5 55.145 55.145 55.187 -0.042 17610 13351 1 15 . 1 1 11 11 LYS CB C 5 32.225 32.225 32.821 -0.596 17610 13352 1 15 . 1 1 11 11 LYS H H 5 9.142 9.142 8.807 0.335 17610 13353 1 15 . 1 1 12 12 LEU N N 6 127.306 127.306 125.856 1.450 17610 13354 1 15 . 1 1 12 12 LEU HA H 6 4.970 4.970 4.334 0.636 17610 13355 1 15 . 1 1 12 12 LEU C C 6 175.298 175.298 175.388 -0.090 17610 13356 1 15 . 1 1 12 12 LEU CA C 6 52.743 52.743 54.497 -1.754 17610 13357 1 15 . 1 1 12 12 LEU CB C 6 43.063 43.063 42.396 0.667 17610 13358 1 15 . 1 1 12 12 LEU H H 6 9.150 9.150 8.443 0.707 17610 13359 1 15 . 1 1 13 13 VAL N N 7 123.170 123.170 124.696 -1.526 17610 13360 1 15 . 1 1 13 13 VAL HA H 7 4.827 4.827 4.192 0.635 17610 13361 1 15 . 1 1 13 13 VAL C C 7 174.230 174.230 175.326 -1.096 17610 13362 1 15 . 1 1 13 13 VAL CB C 7 34.048 34.048 31.437 2.611 17610 13363 1 15 . 1 1 13 13 VAL H H 7 8.113 8.113 7.908 0.205 17610 13364 1 15 . 1 1 14 14 VAL N N 8 129.854 129.854 128.886 0.968 17610 13365 1 15 . 1 1 14 14 VAL HA H 8 4.669 4.669 4.165 0.504 17610 13366 1 15 . 1 1 14 14 VAL C C 8 175.377 175.377 175.478 -0.101 17610 13367 1 15 . 1 1 14 14 VAL CA C 8 61.935 61.935 61.981 -0.046 17610 13368 1 15 . 1 1 14 14 VAL CB C 8 32.496 32.496 31.780 0.715 17610 13369 1 15 . 1 1 14 14 VAL H H 8 8.707 8.707 7.853 0.854 17610 13370 1 15 . 1 1 15 15 VAL N N 9 121.835 121.835 117.032 4.803 17610 13371 1 15 . 1 1 15 15 VAL HA H 9 4.616 4.616 4.567 0.049 17610 13372 1 15 . 1 1 15 15 VAL C C 9 172.824 172.824 173.584 -0.760 17610 13373 1 15 . 1 1 15 15 VAL CA C 9 58.963 58.963 60.178 -1.215 17610 13374 1 15 . 1 1 15 15 VAL CB C 9 35.405 35.405 34.293 1.112 17610 13375 1 15 . 1 1 15 15 VAL H H 9 9.107 9.107 8.515 0.592 17610 13376 1 15 . 1 1 16 16 GLY N N 10 109.233 109.233 109.923 -0.690 17610 13377 1 15 . 1 1 16 16 GLY C C 10 172.504 172.504 172.765 -0.261 17610 13378 1 15 . 1 1 16 16 GLY CA C 10 43.848 43.848 45.216 -1.368 17610 13379 1 15 . 1 1 16 16 GLY H H 10 7.394 7.394 7.918 -0.524 17610 13380 1 15 . 1 1 17 17 ALA N N 11 123.120 123.120 126.030 -2.910 17610 13381 1 15 . 1 1 17 17 ALA HA H 11 4.547 4.547 4.570 -0.023 17610 13382 1 15 . 1 1 17 17 ALA C C 11 177.371 177.371 178.042 -0.671 17610 13383 1 15 . 1 1 17 17 ALA CA C 11 52.236 52.236 52.452 -0.216 17610 13384 1 15 . 1 1 17 17 ALA CB C 11 19.807 19.807 18.178 1.629 17610 13385 1 15 . 1 1 17 17 ALA H H 11 9.054 9.054 8.825 0.229 17610 13386 1 15 . 1 1 18 18 GLY N N 12 107.391 107.391 113.388 -5.997 17610 13387 1 15 . 1 1 18 18 GLY C C 12 176.858 176.858 175.386 1.472 17610 13388 1 15 . 1 1 18 18 GLY CA C 12 46.465 46.465 46.112 0.353 17610 13389 1 15 . 1 1 18 18 GLY H H 12 8.694 8.694 7.984 0.710 17610 13390 1 15 . 1 1 19 19 GLY N N 13 114.596 114.596 110.617 3.979 17610 13391 1 15 . 1 1 19 19 GLY C C 13 174.661 174.661 175.351 -0.690 17610 13392 1 15 . 1 1 19 19 GLY CA C 13 46.545 46.545 45.836 0.709 17610 13393 1 15 . 1 1 19 19 GLY H H 13 8.916 8.916 8.467 0.449 17610 13394 1 15 . 1 1 20 20 VAL N N 14 113.376 113.376 114.723 -1.347 17610 13395 1 15 . 1 1 20 20 VAL HA H 14 4.008 4.008 3.561 0.447 17610 13396 1 15 . 1 1 20 20 VAL C C 14 174.469 174.469 175.467 -0.998 17610 13397 1 15 . 1 1 20 20 VAL CA C 14 62.825 62.825 62.266 0.559 17610 13398 1 15 . 1 1 20 20 VAL CB C 14 31.740 31.740 30.563 1.177 17610 13399 1 15 . 1 1 20 20 VAL H H 14 7.427 7.427 8.297 -0.870 17610 13400 1 15 . 1 1 21 21 GLY N N 15 109.392 109.392 104.370 5.022 17610 13401 1 15 . 1 1 21 21 GLY C C 15 173.254 173.254 174.985 -1.731 17610 13402 1 15 . 1 1 21 21 GLY CA C 15 45.708 45.708 46.040 -0.332 17610 13403 1 15 . 1 1 21 21 GLY H H 15 8.388 8.388 8.213 0.175 17610 13404 1 15 . 1 1 22 22 LYS N N 16 124.844 124.844 120.765 4.079 17610 13405 1 15 . 1 1 22 22 LYS HA H 16 3.537 3.537 4.105 -0.568 17610 13406 1 15 . 1 1 22 22 LYS C C 16 179.106 179.106 177.860 1.246 17610 13407 1 15 . 1 1 22 22 LYS CA C 16 60.990 60.990 59.599 1.391 17610 13408 1 15 . 1 1 22 22 LYS CB C 16 29.967 29.967 32.987 -3.020 17610 13409 1 15 . 1 1 22 22 LYS H H 16 9.097 9.097 8.353 0.744 17610 13410 1 15 . 1 1 23 23 SER N N 17 121.228 121.228 114.421 6.807 17610 13411 1 15 . 1 1 23 23 SER HA H 17 4.292 4.292 4.681 -0.389 17610 13412 1 15 . 1 1 23 23 SER C C 17 175.697 175.697 176.287 -0.590 17610 13413 1 15 . 1 1 23 23 SER CA C 17 61.346 61.346 61.395 -0.049 17610 13414 1 15 . 1 1 23 23 SER CB C 17 61.337 61.337 62.772 -1.435 17610 13415 1 15 . 1 1 23 23 SER H H 17 9.546 9.546 8.546 1.000 17610 13416 1 15 . 1 1 24 24 ALA N N 18 126.557 126.557 125.010 1.547 17610 13417 1 15 . 1 1 24 24 ALA HA H 18 3.946 3.946 4.274 -0.328 17610 13418 1 15 . 1 1 24 24 ALA C C 18 181.834 181.834 179.240 2.594 17610 13419 1 15 . 1 1 24 24 ALA CA C 18 54.587 54.587 54.171 0.416 17610 13420 1 15 . 1 1 24 24 ALA CB C 18 18.539 18.539 18.710 -0.172 17610 13421 1 15 . 1 1 24 24 ALA H H 18 9.189 9.189 8.133 1.056 17610 13422 1 15 . 1 1 25 25 LEU N N 19 121.712 121.712 119.630 2.082 17610 13423 1 15 . 1 1 25 25 LEU HA H 19 3.878 3.878 3.988 -0.110 17610 13424 1 15 . 1 1 25 25 LEU C C 19 177.485 177.485 179.501 -2.016 17610 13425 1 15 . 1 1 25 25 LEU CA C 19 58.729 58.729 58.268 0.461 17610 13426 1 15 . 1 1 25 25 LEU CB C 19 43.227 43.227 42.013 1.214 17610 13427 1 15 . 1 1 25 25 LEU H H 19 8.817 8.817 7.790 1.027 17610 13428 1 15 . 1 1 26 26 THR N N 20 118.148 118.148 115.577 2.571 17610 13429 1 15 . 1 1 26 26 THR HA H 20 3.401 3.401 3.912 -0.511 17610 13430 1 15 . 1 1 26 26 THR C C 20 175.714 175.714 176.850 -1.136 17610 13431 1 15 . 1 1 26 26 THR CA C 20 68.122 68.122 67.262 0.860 17610 13432 1 15 . 1 1 26 26 THR CB C 20 68.196 68.196 68.891 -0.695 17610 13433 1 15 . 1 1 26 26 THR H H 20 7.517 7.517 7.550 -0.033 17610 13434 1 15 . 1 1 27 27 ILE N N 21 121.987 121.987 121.938 0.049 17610 13435 1 15 . 1 1 27 27 ILE HA H 21 3.302 3.302 3.592 -0.290 17610 13436 1 15 . 1 1 27 27 ILE C C 21 175.380 175.380 177.677 -2.297 17610 13437 1 15 . 1 1 27 27 ILE CA C 21 64.278 64.278 65.227 -0.949 17610 13438 1 15 . 1 1 27 27 ILE CB C 21 36.758 36.758 37.795 -1.037 17610 13439 1 15 . 1 1 27 27 ILE H H 21 8.950 8.950 7.679 1.271 17610 13440 1 15 . 1 1 28 28 GLN N N 22 121.898 121.898 119.618 2.280 17610 13441 1 15 . 1 1 28 28 GLN HA H 22 4.334 4.334 4.036 0.298 17610 13442 1 15 . 1 1 28 28 GLN C C 22 179.058 179.058 178.643 0.415 17610 13443 1 15 . 1 1 28 28 GLN CA C 22 58.796 58.796 58.708 0.088 17610 13444 1 15 . 1 1 28 28 GLN CB C 22 29.752 29.752 28.359 1.393 17610 13445 1 15 . 1 1 28 28 GLN H H 22 8.094 8.094 8.601 -0.507 17610 13446 1 15 . 1 1 29 29 LEU N N 23 121.426 121.426 118.457 2.969 17610 13447 1 15 . 1 1 29 29 LEU HA H 23 3.765 3.765 4.014 -0.249 17610 13448 1 15 . 1 1 29 29 LEU C C 23 178.155 178.155 176.998 1.157 17610 13449 1 15 . 1 1 29 29 LEU CA C 23 58.304 58.304 56.970 1.334 17610 13450 1 15 . 1 1 29 29 LEU CB C 23 40.637 40.637 41.830 -1.193 17610 13451 1 15 . 1 1 29 29 LEU H H 23 7.746 7.746 7.493 0.253 17610 13452 1 15 . 1 1 30 30 ILE N N 24 115.325 115.325 117.565 -2.240 17610 13453 1 15 . 1 1 30 30 ILE HA H 24 3.697 3.697 3.939 -0.242 17610 13454 1 15 . 1 1 30 30 ILE C C 24 177.421 177.421 177.527 -0.106 17610 13455 1 15 . 1 1 30 30 ILE CA C 24 62.050 62.050 62.310 -0.260 17610 13456 1 15 . 1 1 30 30 ILE CB C 24 37.183 37.183 37.247 -0.064 17610 13457 1 15 . 1 1 30 30 ILE H H 24 8.115 8.115 7.182 0.933 17610 13458 1 15 . 1 1 31 31 GLN N N 25 117.213 117.213 118.005 -0.792 17610 13459 1 15 . 1 1 31 31 GLN HA H 25 4.539 4.539 4.041 0.498 17610 13460 1 15 . 1 1 31 31 GLN C C 25 176.149 176.149 176.185 -0.036 17610 13461 1 15 . 1 1 31 31 GLN CA C 25 55.234 55.234 57.196 -1.962 17610 13462 1 15 . 1 1 31 31 GLN CB C 25 30.184 30.184 29.165 1.019 17610 13463 1 15 . 1 1 31 31 GLN H H 25 8.887 8.887 7.933 0.954 17610 13464 1 15 . 1 1 32 32 ASN N N 26 117.820 117.820 114.503 3.317 17610 13465 1 15 . 1 1 32 32 ASN HA H 26 4.807 4.807 4.571 0.236 17610 13466 1 15 . 1 1 32 32 ASN C C 26 174.051 174.051 174.581 -0.530 17610 13467 1 15 . 1 1 32 32 ASN CA C 26 54.310 54.310 54.036 0.274 17610 13468 1 15 . 1 1 32 32 ASN CB C 26 37.184 37.184 36.522 0.662 17610 13469 1 15 . 1 1 32 32 ASN H H 26 7.982 7.982 8.452 -0.470 17610 13470 1 15 . 1 1 33 33 HIS N N 27 112.968 112.968 113.428 -0.460 17610 13471 1 15 . 1 1 33 33 HIS HA H 27 4.889 4.889 4.785 0.104 17610 13472 1 15 . 1 1 33 33 HIS C C 27 172.514 172.514 174.557 -2.043 17610 13473 1 15 . 1 1 33 33 HIS CA C 27 54.314 54.314 53.873 0.440 17610 13474 1 15 . 1 1 33 33 HIS CB C 27 32.616 32.616 29.562 3.054 17610 13475 1 15 . 1 1 33 33 HIS H H 27 6.804 6.804 8.048 -1.244 17610 13476 1 15 . 1 1 34 34 PHE N N 28 123.605 123.605 119.899 3.706 17610 13477 1 15 . 1 1 34 34 PHE HA H 28 4.914 4.914 3.802 1.112 17610 13478 1 15 . 1 1 34 34 PHE C C 28 174.641 174.641 173.099 1.542 17610 13479 1 15 . 1 1 34 34 PHE CA C 28 55.754 55.754 60.819 -5.065 17610 13480 1 15 . 1 1 34 34 PHE CB C 28 40.573 40.573 37.858 2.715 17610 13481 1 15 . 1 1 34 34 PHE H H 28 8.462 8.462 7.786 0.676 17610 13482 1 15 . 1 1 35 35 VAL N N 29 126.695 126.695 117.958 8.737 17610 13483 1 15 . 1 1 35 35 VAL HA H 29 3.911 3.911 3.238 0.673 17610 13484 1 15 . 1 1 35 35 VAL C C 29 173.764 173.764 173.093 0.671 17610 13485 1 15 . 1 1 35 35 VAL CA C 29 61.275 61.275 62.209 -0.933 17610 13486 1 15 . 1 1 35 35 VAL CB C 29 33.154 33.154 33.578 -0.423 17610 13487 1 15 . 1 1 35 35 VAL H H 29 7.537 7.537 7.449 0.088 17610 13488 1 15 . 1 1 36 36 ASP N N 30 123.271 123.271 125.606 -2.335 17610 13489 1 15 . 1 1 36 36 ASP HA H 30 4.185 4.185 4.555 -0.370 17610 13490 1 15 . 1 1 36 36 ASP C C 30 176.129 176.129 175.469 0.660 17610 13491 1 15 . 1 1 36 36 ASP CA C 30 54.662 54.662 55.050 -0.388 17610 13492 1 15 . 1 1 36 36 ASP CB C 30 41.323 41.323 42.259 -0.936 17610 13493 1 15 . 1 1 36 36 ASP H H 30 7.618 7.618 8.686 -1.068 17610 13494 1 15 . 1 1 37 37 GLU N N 31 119.730 119.730 119.208 0.522 17610 13495 1 15 . 1 1 37 37 GLU HA H 31 4.262 4.262 4.689 -0.427 17610 13496 1 15 . 1 1 37 37 GLU C C 31 174.901 174.901 175.717 -0.816 17610 13497 1 15 . 1 1 37 37 GLU CA C 31 56.137 56.137 56.068 0.069 17610 13498 1 15 . 1 1 37 37 GLU CB C 31 30.459 30.459 30.017 0.442 17610 13499 1 15 . 1 1 37 37 GLU H H 31 7.857 7.857 8.352 -0.495 17610 13500 1 15 . 1 1 38 38 TYR N N 32 123.296 123.296 118.797 4.499 17610 13501 1 15 . 1 1 38 38 TYR HA H 32 4.486 4.486 4.952 -0.466 17610 13502 1 15 . 1 1 38 38 TYR C C 32 174.370 174.370 174.588 -0.218 17610 13503 1 15 . 1 1 38 38 TYR CA C 32 57.511 57.511 56.627 0.884 17610 13504 1 15 . 1 1 38 38 TYR CB C 32 39.199 39.199 40.167 -0.968 17610 13505 1 15 . 1 1 38 38 TYR H H 32 8.244 8.244 8.057 0.187 17610 13506 1 15 . 1 1 39 39 ASP N N 33 127.452 127.452 122.658 4.794 17610 13507 1 15 . 1 1 39 39 ASP HA H 33 4.891 4.891 4.707 0.184 17610 13508 1 15 . 1 1 39 39 ASP CA C 33 51.207 51.207 53.091 -1.884 17610 13509 1 15 . 1 1 39 39 ASP CB C 33 41.837 41.837 41.615 0.222 17610 13510 1 15 . 1 1 39 39 ASP H H 33 8.158 8.158 8.429 -0.271 17610 13511 1 15 . 1 1 40 40 PRO HA H 34 4.405 4.405 4.222 0.183 17610 13512 1 15 . 1 1 40 40 PRO C C 34 176.938 176.938 176.287 0.651 17610 13513 1 15 . 1 1 40 40 PRO CA C 34 63.068 63.068 62.536 0.532 17610 13514 1 15 . 1 1 40 40 PRO CB C 34 32.089 32.089 32.244 -0.155 17610 13515 1 15 . 1 1 41 41 SER N N 35 117.575 117.575 115.688 1.887 17610 13516 1 15 . 1 1 41 41 SER HA H 35 4.433 4.433 4.313 0.120 17610 13517 1 15 . 1 1 41 41 SER C C 35 174.777 174.777 174.209 0.568 17610 13518 1 15 . 1 1 41 41 SER CA C 35 58.346 58.346 59.126 -0.780 17610 13519 1 15 . 1 1 41 41 SER CB C 35 63.704 63.704 62.549 1.155 17610 13520 1 15 . 1 1 41 41 SER H H 35 8.495 8.495 8.194 0.301 17610 13521 1 15 . 1 1 42 42 ILE N N 36 123.018 123.018 122.638 0.380 17610 13522 1 15 . 1 1 42 42 ILE HA H 36 4.219 4.219 4.468 -0.249 17610 13523 1 15 . 1 1 42 42 ILE C C 36 175.966 175.966 174.394 1.572 17610 13524 1 15 . 1 1 42 42 ILE CA C 36 61.665 61.665 59.178 2.486 17610 13525 1 15 . 1 1 42 42 ILE CB C 36 38.745 38.745 40.233 -1.488 17610 13526 1 15 . 1 1 42 42 ILE H H 36 7.919 7.919 7.793 0.126 17610 13527 1 15 . 1 1 43 43 GLU N N 37 124.699 124.699 120.262 4.437 17610 13528 1 15 . 1 1 43 43 GLU HA H 37 4.381 4.381 4.383 -0.002 17610 13529 1 15 . 1 1 43 43 GLU C C 37 179.069 179.069 175.530 3.539 17610 13530 1 15 . 1 1 43 43 GLU CA C 37 56.223 56.223 56.360 -0.137 17610 13531 1 15 . 1 1 43 43 GLU CB C 37 30.616 30.616 29.224 1.393 17610 13532 1 15 . 1 1 43 43 GLU H H 37 8.201 8.201 8.404 -0.203 17610 13533 1 15 . 1 1 44 44 ASP N N 38 121.902 121.902 119.403 2.499 17610 13534 1 15 . 1 1 44 44 ASP HA H 38 4.622 4.622 4.670 -0.048 17610 13535 1 15 . 1 1 44 44 ASP C C 38 174.634 174.634 175.353 -0.719 17610 13536 1 15 . 1 1 44 44 ASP CA C 38 54.095 54.095 53.273 0.822 17610 13537 1 15 . 1 1 44 44 ASP CB C 38 41.837 41.837 40.007 1.831 17610 13538 1 15 . 1 1 44 44 ASP H H 38 8.094 8.094 8.248 -0.154 17610 13539 1 15 . 1 1 45 45 SER N N 39 114.779 114.779 114.453 0.326 17610 13540 1 15 . 1 1 45 45 SER HA H 39 4.923 4.923 3.930 0.993 17610 13541 1 15 . 1 1 45 45 SER C C 39 173.339 173.339 173.634 -0.295 17610 13542 1 15 . 1 1 45 45 SER CA C 39 57.023 57.023 59.637 -2.614 17610 13543 1 15 . 1 1 45 45 SER CB C 39 64.751 64.751 64.175 0.576 17610 13544 1 15 . 1 1 45 45 SER H H 39 7.792 7.792 7.480 0.312 17610 13545 1 15 . 1 1 46 46 TYR N N 40 124.235 124.235 121.472 2.763 17610 13546 1 15 . 1 1 46 46 TYR HA H 40 4.662 4.662 4.752 -0.090 17610 13547 1 15 . 1 1 46 46 TYR C C 40 173.910 173.910 175.000 -1.090 17610 13548 1 15 . 1 1 46 46 TYR CA C 40 56.944 56.944 56.250 0.694 17610 13549 1 15 . 1 1 46 46 TYR CB C 40 41.323 41.323 40.702 0.621 17610 13550 1 15 . 1 1 46 46 TYR H H 40 8.976 8.976 8.047 0.929 17610 13551 1 15 . 1 1 47 47 ARG N N 41 121.906 121.906 118.435 3.471 17610 13552 1 15 . 1 1 47 47 ARG HA H 41 5.802 5.802 5.143 0.659 17610 13553 1 15 . 1 1 47 47 ARG C C 41 176.150 176.150 175.118 1.032 17610 13554 1 15 . 1 1 47 47 ARG CA C 41 54.129 54.129 55.109 -0.980 17610 13555 1 15 . 1 1 47 47 ARG CB C 41 34.105 34.105 33.845 0.260 17610 13556 1 15 . 1 1 47 47 ARG H H 41 8.238 8.238 8.573 -0.335 17610 13557 1 15 . 1 1 48 48 LYS N N 42 123.924 123.924 122.737 1.187 17610 13558 1 15 . 1 1 48 48 LYS HA H 42 4.508 4.508 4.628 -0.120 17610 13559 1 15 . 1 1 48 48 LYS C C 42 173.710 173.710 174.598 -0.888 17610 13560 1 15 . 1 1 48 48 LYS CA C 42 55.651 55.651 55.028 0.623 17610 13561 1 15 . 1 1 48 48 LYS CB C 42 38.139 38.139 36.496 1.643 17610 13562 1 15 . 1 1 48 48 LYS H H 42 8.705 8.705 8.535 0.170 17610 13563 1 15 . 1 1 49 49 GLN N N 43 130.301 130.301 125.358 4.943 17610 13564 1 15 . 1 1 49 49 GLN HA H 43 5.230 5.230 4.634 0.596 17610 13565 1 15 . 1 1 49 49 GLN C C 43 175.254 175.254 175.086 0.168 17610 13566 1 15 . 1 1 49 49 GLN CA C 43 55.496 55.496 55.265 0.231 17610 13567 1 15 . 1 1 49 49 GLN CB C 43 29.892 29.892 29.915 -0.023 17610 13568 1 15 . 1 1 49 49 GLN H H 43 8.897 8.897 8.652 0.245 17610 13569 1 15 . 1 1 50 50 VAL N N 44 122.354 122.354 121.304 1.050 17610 13570 1 15 . 1 1 50 50 VAL HA H 44 4.772 4.772 4.678 0.094 17610 13571 1 15 . 1 1 50 50 VAL C C 44 173.116 173.116 173.411 -0.295 17610 13572 1 15 . 1 1 50 50 VAL CA C 44 59.238 59.238 59.433 -0.195 17610 13573 1 15 . 1 1 50 50 VAL CB C 44 35.888 35.888 35.610 0.278 17610 13574 1 15 . 1 1 50 50 VAL H H 44 9.104 9.104 8.283 0.821 17610 13575 1 15 . 1 1 51 51 VAL N N 45 122.385 122.385 120.781 1.604 17610 13576 1 15 . 1 1 51 51 VAL HA H 45 4.462 4.462 4.309 0.153 17610 13577 1 15 . 1 1 51 51 VAL C C 45 175.450 175.450 175.104 0.346 17610 13578 1 15 . 1 1 51 51 VAL CA C 45 61.832 61.832 61.898 -0.066 17610 13579 1 15 . 1 1 51 51 VAL CB C 45 32.228 32.228 31.257 0.971 17610 13580 1 15 . 1 1 51 51 VAL H H 45 8.100 8.100 8.247 -0.147 17610 13581 1 15 . 1 1 52 52 ILE N N 46 126.953 126.953 127.141 -0.188 17610 13582 1 15 . 1 1 52 52 ILE HA H 46 3.995 3.995 4.267 -0.272 17610 13583 1 15 . 1 1 52 52 ILE C C 46 176.424 176.424 176.149 0.275 17610 13584 1 15 . 1 1 52 52 ILE CA C 46 60.343 60.343 60.147 0.196 17610 13585 1 15 . 1 1 52 52 ILE CB C 46 40.096 40.096 40.382 -0.286 17610 13586 1 15 . 1 1 52 52 ILE H H 46 8.118 8.118 7.854 0.264 17610 13587 1 15 . 1 1 53 53 ASP N N 47 132.206 132.206 127.388 4.818 17610 13588 1 15 . 1 1 53 53 ASP HA H 47 4.267 4.267 4.335 -0.068 17610 13589 1 15 . 1 1 53 53 ASP C C 47 176.121 176.121 176.366 -0.245 17610 13590 1 15 . 1 1 53 53 ASP CA C 47 55.267 55.267 54.888 0.379 17610 13591 1 15 . 1 1 53 53 ASP CB C 47 39.203 39.203 40.220 -1.017 17610 13592 1 15 . 1 1 53 53 ASP H H 47 9.605 9.605 9.092 0.513 17610 13593 1 15 . 1 1 54 54 GLY N N 48 104.275 104.275 105.076 -0.801 17610 13594 1 15 . 1 1 54 54 GLY C C 48 173.219 173.219 173.614 -0.395 17610 13595 1 15 . 1 1 54 54 GLY CA C 48 45.318 45.318 45.480 -0.162 17610 13596 1 15 . 1 1 54 54 GLY H H 48 8.332 8.332 8.631 -0.299 17610 13597 1 15 . 1 1 55 55 GLU N N 49 123.384 123.384 119.811 3.573 17610 13598 1 15 . 1 1 55 55 GLU HA H 49 4.691 4.691 4.620 0.071 17610 13599 1 15 . 1 1 55 55 GLU C C 49 175.614 175.614 175.556 0.058 17610 13600 1 15 . 1 1 55 55 GLU CA C 49 54.719 54.719 54.949 -0.230 17610 13601 1 15 . 1 1 55 55 GLU CB C 49 31.803 31.803 32.086 -0.283 17610 13602 1 15 . 1 1 55 55 GLU H H 49 7.684 7.684 7.688 -0.004 17610 13603 1 15 . 1 1 56 56 THR N N 50 127.153 127.153 123.404 3.749 17610 13604 1 15 . 1 1 56 56 THR HA H 50 4.727 4.727 4.423 0.304 17610 13605 1 15 . 1 1 56 56 THR C C 50 173.530 173.530 174.180 -0.650 17610 13606 1 15 . 1 1 56 56 THR CA C 50 63.521 63.521 64.526 -1.006 17610 13607 1 15 . 1 1 56 56 THR CB C 50 68.478 68.478 69.161 -0.683 17610 13608 1 15 . 1 1 56 56 THR H H 50 8.951 8.951 8.588 0.363 17610 13609 1 15 . 1 1 57 57 CYS N N 51 124.835 124.835 123.342 1.493 17610 13610 1 15 . 1 1 57 57 CYS HA H 51 5.086 5.086 4.761 0.325 17610 13611 1 15 . 1 1 57 57 CYS C C 51 170.937 170.937 172.781 -1.844 17610 13612 1 15 . 1 1 57 57 CYS CA C 51 56.423 56.423 58.234 -1.811 17610 13613 1 15 . 1 1 57 57 CYS CB C 51 31.549 31.549 31.748 -0.199 17610 13614 1 15 . 1 1 57 57 CYS H H 51 9.424 9.424 8.380 1.044 17610 13615 1 15 . 1 1 58 58 LEU N N 52 123.111 123.111 122.462 0.649 17610 13616 1 15 . 1 1 58 58 LEU HA H 52 4.943 4.943 4.904 0.039 17610 13617 1 15 . 1 1 58 58 LEU C C 52 175.044 175.044 175.690 -0.646 17610 13618 1 15 . 1 1 58 58 LEU CA C 52 53.372 53.372 54.102 -0.730 17610 13619 1 15 . 1 1 58 58 LEU CB C 52 44.304 44.304 43.697 0.607 17610 13620 1 15 . 1 1 58 58 LEU H H 52 8.803 8.803 9.043 -0.240 17610 13621 1 15 . 1 1 59 59 LEU N N 53 124.540 124.540 124.772 -0.232 17610 13622 1 15 . 1 1 59 59 LEU HA H 53 4.888 4.888 4.706 0.182 17610 13623 1 15 . 1 1 59 59 LEU C C 53 174.358 174.358 175.425 -1.067 17610 13624 1 15 . 1 1 59 59 LEU CA C 53 53.490 53.490 53.789 -0.299 17610 13625 1 15 . 1 1 59 59 LEU CB C 53 42.195 42.195 42.597 -0.402 17610 13626 1 15 . 1 1 59 59 LEU H H 53 9.054 9.054 9.244 -0.190 17610 13627 1 15 . 1 1 60 60 ASP N N 54 126.666 126.666 126.677 -0.011 17610 13628 1 15 . 1 1 60 60 ASP HA H 54 5.225 5.225 5.054 0.171 17610 13629 1 15 . 1 1 60 60 ASP C C 54 174.846 174.846 175.228 -0.382 17610 13630 1 15 . 1 1 60 60 ASP CA C 54 53.040 53.040 52.601 0.439 17610 13631 1 15 . 1 1 60 60 ASP CB C 54 42.622 42.622 41.251 1.371 17610 13632 1 15 . 1 1 60 60 ASP H H 54 8.739 8.739 8.449 0.290 17610 13633 1 15 . 1 1 61 61 ILE N N 55 125.100 125.100 124.898 0.202 17610 13634 1 15 . 1 1 61 61 ILE HA H 55 4.690 4.690 4.106 0.584 17610 13635 1 15 . 1 1 61 61 ILE C C 55 174.745 174.745 174.632 0.113 17610 13636 1 15 . 1 1 61 61 ILE CA C 55 60.331 60.331 59.414 0.917 17610 13637 1 15 . 1 1 61 61 ILE CB C 55 39.682 39.682 36.389 3.293 17610 13638 1 15 . 1 1 61 61 ILE H H 55 9.115 9.115 7.949 1.166 17610 13639 1 15 . 1 1 62 62 LEU N N 56 131.208 131.208 129.277 1.931 17610 13640 1 15 . 1 1 62 62 LEU HA H 56 4.667 4.667 4.588 0.079 17610 13641 1 15 . 1 1 62 62 LEU C C 56 174.063 174.063 174.470 -0.407 17610 13642 1 15 . 1 1 62 62 LEU CA C 56 53.795 53.795 54.314 -0.519 17610 13643 1 15 . 1 1 62 62 LEU CB C 56 42.256 42.256 44.547 -2.292 17610 13644 1 15 . 1 1 62 62 LEU H H 56 9.014 9.014 7.882 1.132 17610 13645 1 15 . 1 1 63 63 ASP N N 57 128.415 128.415 126.232 2.183 17610 13646 1 15 . 1 1 63 63 ASP HA H 57 4.783 4.783 4.918 -0.135 17610 13647 1 15 . 1 1 63 63 ASP C C 57 176.341 176.341 175.637 0.704 17610 13648 1 15 . 1 1 63 63 ASP CA C 57 52.988 52.988 52.729 0.259 17610 13649 1 15 . 1 1 63 63 ASP CB C 57 41.837 41.837 42.271 -0.434 17610 13650 1 15 . 1 1 63 63 ASP H H 57 8.657 8.657 8.555 0.102 17610 13651 1 15 . 1 1 64 64 THR N N 58 114.950 114.950 116.553 -1.603 17610 13652 1 15 . 1 1 64 64 THR HA H 58 4.425 4.425 4.364 0.061 17610 13653 1 15 . 1 1 64 64 THR C C 58 172.734 172.734 173.732 -0.998 17610 13654 1 15 . 1 1 64 64 THR CA C 58 61.488 61.488 60.717 0.771 17610 13655 1 15 . 1 1 64 64 THR CB C 58 71.398 71.398 70.702 0.696 17610 13656 1 15 . 1 1 64 64 THR H H 58 7.369 7.369 7.971 -0.603 17610 13657 1 15 . 1 1 65 65 ALA N N 59 123.940 123.940 121.731 2.209 17610 13658 1 15 . 1 1 65 65 ALA HA H 59 4.764 4.764 4.395 0.369 17610 13659 1 15 . 1 1 65 65 ALA C C 59 179.480 179.480 178.659 0.821 17610 13660 1 15 . 1 1 65 65 ALA CA C 59 51.422 51.422 51.998 -0.576 17610 13661 1 15 . 1 1 65 65 ALA CB C 59 20.796 20.796 19.728 1.068 17610 13662 1 15 . 1 1 65 65 ALA H H 59 8.329 8.329 8.596 -0.267 17610 13663 1 15 . 1 1 66 66 GLY N N 60 112.527 112.527 106.726 5.801 17610 13664 1 15 . 1 1 66 66 GLY C C 60 174.938 174.938 174.351 0.587 17610 13665 1 15 . 1 1 66 66 GLY CA C 60 46.057 46.057 44.732 1.325 17610 13666 1 15 . 1 1 66 66 GLY H H 60 9.397 9.397 8.809 0.588 17610 13667 1 15 . 1 1 67 67 GLN N N 61 120.877 120.877 118.288 2.589 17610 13668 1 15 . 1 1 67 67 GLN HA H 61 4.422 4.422 3.973 0.449 17610 13669 1 15 . 1 1 67 67 GLN C C 61 176.298 176.298 175.832 0.466 17610 13670 1 15 . 1 1 67 67 GLN CA C 61 56.355 56.355 56.892 -0.537 17610 13671 1 15 . 1 1 67 67 GLN CB C 61 29.438 29.438 27.462 1.976 17610 13672 1 15 . 1 1 67 67 GLN H H 61 8.237 8.237 8.084 0.153 17610 13673 1 15 . 1 1 68 68 GLU N N 62 123.751 123.751 117.663 6.088 17610 13674 1 15 . 1 1 68 68 GLU HA H 62 4.208 4.208 4.193 0.015 17610 13675 1 15 . 1 1 68 68 GLU C C 62 177.032 177.032 176.844 0.188 17610 13676 1 15 . 1 1 68 68 GLU CA C 62 57.801 57.801 58.293 -0.492 17610 13677 1 15 . 1 1 68 68 GLU CB C 62 29.834 29.834 30.179 -0.345 17610 13678 1 15 . 1 1 68 68 GLU H H 62 8.738 8.738 8.751 -0.013 17610 13679 1 15 . 1 1 69 69 GLU N N 63 121.861 121.861 115.397 6.464 17610 13680 1 15 . 1 1 69 69 GLU HA H 63 4.228 4.228 4.340 -0.112 17610 13681 1 15 . 1 1 69 69 GLU C C 63 176.145 176.145 174.538 1.607 17610 13682 1 15 . 1 1 69 69 GLU CA C 63 57.026 57.026 56.311 0.715 17610 13683 1 15 . 1 1 69 69 GLU CB C 63 30.231 30.231 29.442 0.789 17610 13684 1 15 . 1 1 69 69 GLU H H 63 8.607 8.607 8.082 0.525 17610 13685 1 15 . 1 1 70 70 TYR N N 64 121.801 121.801 120.627 1.174 17610 13686 1 15 . 1 1 70 70 TYR HA H 64 4.587 4.587 4.824 -0.237 17610 13687 1 15 . 1 1 70 70 TYR C C 64 175.965 175.965 175.251 0.714 17610 13688 1 15 . 1 1 70 70 TYR CA C 64 58.160 58.160 57.943 0.217 17610 13689 1 15 . 1 1 70 70 TYR CB C 64 38.288 38.288 39.330 -1.042 17610 13690 1 15 . 1 1 70 70 TYR H H 64 8.225 8.225 7.931 0.294 17610 13691 1 15 . 1 1 71 71 SER N N 65 120.137 120.137 119.021 1.116 17610 13692 1 15 . 1 1 71 71 SER HA H 65 4.269 4.269 4.539 -0.270 17610 13693 1 15 . 1 1 71 71 SER C C 65 174.912 174.912 176.226 -1.314 17610 13694 1 15 . 1 1 71 71 SER CA C 65 58.755 58.755 58.300 0.455 17610 13695 1 15 . 1 1 71 71 SER CB C 65 63.755 63.755 63.612 0.143 17610 13696 1 15 . 1 1 71 71 SER H H 65 7.884 7.884 8.534 -0.650 17610 13697 1 15 . 1 1 72 72 ALA N N 66 127.848 127.848 124.803 3.045 17610 13698 1 15 . 1 1 72 72 ALA HA H 66 4.193 4.193 4.123 0.070 17610 13699 1 15 . 1 1 72 72 ALA C C 66 179.820 179.820 179.925 -0.105 17610 13700 1 15 . 1 1 72 72 ALA CA C 66 54.595 54.595 54.984 -0.389 17610 13701 1 15 . 1 1 72 72 ALA CB C 66 18.264 18.264 18.496 -0.232 17610 13702 1 15 . 1 1 72 72 ALA H H 66 8.706 8.706 8.377 0.329 17610 13703 1 15 . 1 1 73 73 MET N N 67 118.448 118.448 116.228 2.220 17610 13704 1 15 . 1 1 73 73 MET HA H 67 4.271 4.271 4.091 0.180 17610 13705 1 15 . 1 1 73 73 MET C C 67 177.098 177.098 177.537 -0.439 17610 13706 1 15 . 1 1 73 73 MET CA C 67 56.915 56.915 57.271 -0.356 17610 13707 1 15 . 1 1 73 73 MET CB C 67 32.031 32.031 32.284 -0.253 17610 13708 1 15 . 1 1 73 73 MET H H 67 8.007 8.007 8.088 -0.081 17610 13709 1 15 . 1 1 74 74 ARG N N 68 121.351 121.351 120.445 0.906 17610 13710 1 15 . 1 1 74 74 ARG HA H 68 3.793 3.793 4.080 -0.287 17610 13711 1 15 . 1 1 74 74 ARG C C 68 177.730 177.730 178.241 -0.511 17610 13712 1 15 . 1 1 74 74 ARG CA C 68 59.093 59.093 59.966 -0.873 17610 13713 1 15 . 1 1 74 74 ARG CB C 68 30.118 30.118 29.691 0.427 17610 13714 1 15 . 1 1 74 74 ARG H H 68 7.761 7.761 8.229 -0.468 17610 13715 1 15 . 1 1 75 75 ASP N N 69 119.938 119.938 117.741 2.197 17610 13716 1 15 . 1 1 75 75 ASP HA H 69 4.286 4.286 4.495 -0.209 17610 13717 1 15 . 1 1 75 75 ASP C C 69 177.998 177.998 177.863 0.135 17610 13718 1 15 . 1 1 75 75 ASP CA C 69 57.555 57.555 57.410 0.145 17610 13719 1 15 . 1 1 75 75 ASP CB C 69 40.401 40.401 40.951 -0.550 17610 13720 1 15 . 1 1 75 75 ASP H H 69 8.077 8.077 7.872 0.205 17610 13721 1 15 . 1 1 76 76 GLN N N 70 119.151 119.151 119.357 -0.206 17610 13722 1 15 . 1 1 76 76 GLN HA H 70 4.050 4.050 4.063 -0.013 17610 13723 1 15 . 1 1 76 76 GLN C C 70 178.837 178.837 178.315 0.522 17610 13724 1 15 . 1 1 76 76 GLN CA C 70 58.920 58.920 58.085 0.835 17610 13725 1 15 . 1 1 76 76 GLN CB C 70 28.063 28.063 27.844 0.219 17610 13726 1 15 . 1 1 76 76 GLN H H 70 7.789 7.789 7.225 0.564 17610 13727 1 15 . 1 1 77 77 TYR N N 71 119.847 119.847 118.377 1.470 17610 13728 1 15 . 1 1 77 77 TYR HA H 71 4.548 4.548 4.515 0.033 17610 13729 1 15 . 1 1 77 77 TYR C C 71 178.680 178.680 177.799 0.881 17610 13730 1 15 . 1 1 77 77 TYR CA C 71 58.785 58.785 59.723 -0.938 17610 13731 1 15 . 1 1 77 77 TYR CB C 71 36.986 36.986 37.782 -0.796 17610 13732 1 15 . 1 1 77 77 TYR H H 71 8.131 8.131 7.425 0.706 17610 13733 1 15 . 1 1 78 78 MET N N 72 119.987 119.987 117.112 2.875 17610 13734 1 15 . 1 1 78 78 MET HA H 72 4.402 4.402 4.457 -0.055 17610 13735 1 15 . 1 1 78 78 MET C C 72 177.008 177.008 179.040 -2.032 17610 13736 1 15 . 1 1 78 78 MET CA C 72 59.028 59.028 59.665 -0.637 17610 13737 1 15 . 1 1 78 78 MET CB C 72 32.709 32.709 32.514 0.195 17610 13738 1 15 . 1 1 78 78 MET H H 72 8.380 8.380 7.565 0.815 17610 13739 1 15 . 1 1 79 79 ARG N N 73 117.792 117.792 115.730 2.062 17610 13740 1 15 . 1 1 79 79 ARG HA H 73 3.914 3.914 4.228 -0.314 17610 13741 1 15 . 1 1 79 79 ARG C C 73 178.169 178.169 177.903 0.266 17610 13742 1 15 . 1 1 79 79 ARG CA C 73 59.493 59.493 58.594 0.899 17610 13743 1 15 . 1 1 79 79 ARG CB C 73 30.100 30.100 30.174 -0.074 17610 13744 1 15 . 1 1 79 79 ARG H H 73 7.992 7.992 7.658 0.334 17610 13745 1 15 . 1 1 80 80 THR N N 74 110.012 110.012 106.889 3.123 17610 13746 1 15 . 1 1 80 80 THR HA H 74 4.242 4.242 4.500 -0.258 17610 13747 1 15 . 1 1 80 80 THR C C 74 175.640 175.640 174.836 0.804 17610 13748 1 15 . 1 1 80 80 THR CA C 74 62.863 62.863 61.142 1.721 17610 13749 1 15 . 1 1 80 80 THR CB C 74 69.808 69.808 70.231 -0.423 17610 13750 1 15 . 1 1 80 80 THR H H 74 7.718 7.718 7.455 0.263 17610 13751 1 15 . 1 1 81 81 GLY N N 75 109.297 109.297 108.994 0.303 17610 13752 1 15 . 1 1 81 81 GLY C C 75 172.419 172.419 173.602 -1.183 17610 13753 1 15 . 1 1 81 81 GLY CA C 75 46.504 46.504 43.771 2.733 17610 13754 1 15 . 1 1 81 81 GLY H H 75 7.852 7.852 7.558 0.294 17610 13755 1 15 . 1 1 82 82 GLU N N 76 122.399 122.399 121.433 0.966 17610 13756 1 15 . 1 1 82 82 GLU HA H 76 4.523 4.523 4.309 0.214 17610 13757 1 15 . 1 1 82 82 GLU C C 76 176.409 176.409 176.013 0.396 17610 13758 1 15 . 1 1 82 82 GLU CA C 76 56.469 56.469 57.760 -1.291 17610 13759 1 15 . 1 1 82 82 GLU CB C 76 32.049 32.049 30.874 1.175 17610 13760 1 15 . 1 1 82 82 GLU H H 76 8.879 8.879 8.196 0.683 17610 13761 1 15 . 1 1 83 83 GLY N N 77 102.282 102.282 105.267 -2.985 17610 13762 1 15 . 1 1 83 83 GLY C C 77 170.803 170.803 171.670 -0.867 17610 13763 1 15 . 1 1 83 83 GLY CA C 77 45.453 45.453 44.977 0.475 17610 13764 1 15 . 1 1 83 83 GLY H H 77 7.192 7.192 7.214 -0.022 17610 13765 1 15 . 1 1 84 84 PHE N N 78 122.648 122.648 116.691 5.957 17610 13766 1 15 . 1 1 84 84 PHE HA H 78 5.448 5.448 5.413 0.035 17610 13767 1 15 . 1 1 84 84 PHE C C 78 173.734 173.734 174.033 -0.299 17610 13768 1 15 . 1 1 84 84 PHE CA C 78 57.065 57.065 56.911 0.154 17610 13769 1 15 . 1 1 84 84 PHE CB C 78 42.997 42.997 44.044 -1.047 17610 13770 1 15 . 1 1 84 84 PHE H H 78 8.224 8.224 8.363 -0.139 17610 13771 1 15 . 1 1 85 85 LEU N N 79 127.298 127.298 123.819 3.479 17610 13772 1 15 . 1 1 85 85 LEU HA H 79 4.690 4.690 5.016 -0.326 17610 13773 1 15 . 1 1 85 85 LEU C C 79 174.690 174.690 175.326 -0.636 17610 13774 1 15 . 1 1 85 85 LEU CA C 79 53.981 53.981 54.005 -0.024 17610 13775 1 15 . 1 1 85 85 LEU CB C 79 43.058 43.058 44.932 -1.875 17610 13776 1 15 . 1 1 85 85 LEU H H 79 9.189 9.189 8.874 0.315 17610 13777 1 15 . 1 1 86 86 CYS N N 80 125.581 125.581 126.664 -1.083 17610 13778 1 15 . 1 1 86 86 CYS HA H 80 4.689 4.689 5.112 -0.423 17610 13779 1 15 . 1 1 86 86 CYS C C 80 172.664 172.664 174.404 -1.740 17610 13780 1 15 . 1 1 86 86 CYS CA C 80 57.767 57.767 56.836 0.931 17610 13781 1 15 . 1 1 86 86 CYS CB C 80 27.397 27.397 26.490 0.907 17610 13782 1 15 . 1 1 86 86 CYS H H 80 8.720 8.720 8.963 -0.243 17610 13783 1 15 . 1 1 87 87 VAL N N 81 127.252 127.252 122.198 5.054 17610 13784 1 15 . 1 1 87 87 VAL HA H 81 4.983 4.983 5.316 -0.333 17610 13785 1 15 . 1 1 87 87 VAL C C 81 175.119 175.119 174.261 0.858 17610 13786 1 15 . 1 1 87 87 VAL CA C 81 61.275 61.275 60.237 1.038 17610 13787 1 15 . 1 1 87 87 VAL CB C 81 33.407 33.407 33.862 -0.455 17610 13788 1 15 . 1 1 87 87 VAL H H 81 9.028 9.028 8.508 0.520 17610 13789 1 15 . 1 1 88 88 PHE N N 82 125.157 125.157 123.313 1.844 17610 13790 1 15 . 1 1 88 88 PHE HA H 82 4.992 4.992 5.427 -0.435 17610 13791 1 15 . 1 1 88 88 PHE C C 82 171.162 171.162 173.336 -2.174 17610 13792 1 15 . 1 1 88 88 PHE CA C 82 55.349 55.349 55.402 -0.053 17610 13793 1 15 . 1 1 88 88 PHE CB C 82 40.430 40.430 43.120 -2.690 17610 13794 1 15 . 1 1 88 88 PHE H H 82 9.306 9.306 8.454 0.852 17610 13795 1 15 . 1 1 89 89 ALA N N 83 122.321 122.321 126.953 -4.632 17610 13796 1 15 . 1 1 89 89 ALA HA H 83 5.082 5.082 4.659 0.423 17610 13797 1 15 . 1 1 89 89 ALA C C 83 179.267 179.267 178.414 0.853 17610 13798 1 15 . 1 1 89 89 ALA CA C 83 49.635 49.635 49.248 0.387 17610 13799 1 15 . 1 1 89 89 ALA CB C 83 21.739 21.739 20.250 1.489 17610 13800 1 15 . 1 1 89 89 ALA H H 83 8.692 8.692 8.016 0.676 17610 13801 1 15 . 1 1 90 90 ILE N N 84 114.459 114.459 119.246 -4.787 17610 13802 1 15 . 1 1 90 90 ILE HA H 84 4.054 4.054 3.670 0.384 17610 13803 1 15 . 1 1 90 90 ILE C C 84 174.164 174.164 175.534 -1.370 17610 13804 1 15 . 1 1 90 90 ILE CA C 84 63.169 63.169 63.916 -0.747 17610 13805 1 15 . 1 1 90 90 ILE CB C 84 38.174 38.174 37.328 0.846 17610 13806 1 15 . 1 1 90 90 ILE H H 84 8.461 8.461 7.460 1.001 17610 13807 1 15 . 1 1 91 91 ASN N N 85 118.240 118.240 113.410 4.830 17610 13808 1 15 . 1 1 91 91 ASN HA H 85 5.049 5.049 4.837 0.212 17610 13809 1 15 . 1 1 91 91 ASN C C 85 174.583 174.583 174.604 -0.021 17610 13810 1 15 . 1 1 91 91 ASN CA C 85 52.161 52.161 52.200 -0.039 17610 13811 1 15 . 1 1 91 91 ASN CB C 85 38.132 38.132 38.403 -0.271 17610 13812 1 15 . 1 1 91 91 ASN H H 85 7.906 7.906 8.290 -0.384 17610 13813 1 15 . 1 1 92 92 ASN N N 86 120.345 120.345 119.083 1.262 17610 13814 1 15 . 1 1 92 92 ASN HA H 86 5.080 5.080 5.010 0.070 17610 13815 1 15 . 1 1 92 92 ASN C C 86 175.090 175.090 175.219 -0.129 17610 13816 1 15 . 1 1 92 92 ASN CA C 86 52.041 52.041 53.020 -0.979 17610 13817 1 15 . 1 1 92 92 ASN CB C 86 39.203 39.203 40.260 -1.057 17610 13818 1 15 . 1 1 92 92 ASN H H 86 7.931 7.931 8.017 -0.086 17610 13819 1 15 . 1 1 93 93 THR N N 87 125.665 125.665 118.945 6.720 17610 13820 1 15 . 1 1 93 93 THR HA H 87 3.772 3.772 4.066 -0.294 17610 13821 1 15 . 1 1 93 93 THR C C 87 176.012 176.012 175.910 0.102 17610 13822 1 15 . 1 1 93 93 THR CA C 87 66.753 66.753 66.707 0.046 17610 13823 1 15 . 1 1 93 93 THR CB C 87 68.400 68.400 69.037 -0.637 17610 13824 1 15 . 1 1 93 93 THR H H 87 9.272 9.272 8.205 1.067 17610 13825 1 15 . 1 1 94 94 LYS N N 88 125.404 125.404 119.845 5.559 17610 13826 1 15 . 1 1 94 94 LYS HA H 88 4.186 4.186 4.095 0.091 17610 13827 1 15 . 1 1 94 94 LYS C C 88 178.027 178.027 178.017 0.010 17610 13828 1 15 . 1 1 94 94 LYS CA C 88 59.359 59.359 59.237 0.122 17610 13829 1 15 . 1 1 94 94 LYS CB C 88 31.292 31.292 32.105 -0.813 17610 13830 1 15 . 1 1 94 94 LYS H H 88 8.456 8.456 8.251 0.205 17610 13831 1 15 . 1 1 95 95 SER N N 89 115.491 115.491 115.924 -0.433 17610 13832 1 15 . 1 1 95 95 SER HA H 89 4.188 4.188 4.374 -0.186 17610 13833 1 15 . 1 1 95 95 SER C C 89 175.751 175.751 176.514 -0.763 17610 13834 1 15 . 1 1 95 95 SER CA C 89 61.751 61.751 60.995 0.756 17610 13835 1 15 . 1 1 95 95 SER CB C 89 63.530 63.530 63.067 0.463 17610 13836 1 15 . 1 1 95 95 SER H H 89 7.970 7.970 8.026 -0.056 17610 13837 1 15 . 1 1 96 96 PHE N N 90 125.899 125.899 122.078 3.821 17610 13838 1 15 . 1 1 96 96 PHE HA H 90 4.037 4.037 4.202 -0.165 17610 13839 1 15 . 1 1 96 96 PHE C C 90 177.267 177.267 176.914 0.353 17610 13840 1 15 . 1 1 96 96 PHE CA C 90 59.688 59.688 60.273 -0.585 17610 13841 1 15 . 1 1 96 96 PHE CB C 90 40.175 40.175 38.998 1.177 17610 13842 1 15 . 1 1 96 96 PHE H H 90 7.419 7.419 7.991 -0.572 17610 13843 1 15 . 1 1 97 97 GLU N N 91 122.834 122.834 116.836 5.998 17610 13844 1 15 . 1 1 97 97 GLU HA H 91 3.787 3.787 3.664 0.123 17610 13845 1 15 . 1 1 97 97 GLU C C 91 179.628 179.628 178.019 1.609 17610 13846 1 15 . 1 1 97 97 GLU CA C 91 59.004 59.004 58.859 0.145 17610 13847 1 15 . 1 1 97 97 GLU CB C 91 29.261 29.261 29.181 0.080 17610 13848 1 15 . 1 1 97 97 GLU H H 91 8.449 8.449 7.724 0.725 17610 13849 1 15 . 1 1 98 98 ASP N N 92 118.617 118.617 120.720 -2.103 17610 13850 1 15 . 1 1 98 98 ASP HA H 92 4.553 4.553 4.381 0.172 17610 13851 1 15 . 1 1 98 98 ASP C C 92 177.582 177.582 178.458 -0.876 17610 13852 1 15 . 1 1 98 98 ASP CA C 92 56.171 56.171 57.227 -1.056 17610 13853 1 15 . 1 1 98 98 ASP CB C 92 41.184 41.184 40.400 0.784 17610 13854 1 15 . 1 1 98 98 ASP H H 92 8.492 8.492 7.463 1.029 17610 13855 1 15 . 1 1 99 99 ILE N N 93 121.939 121.939 117.421 4.518 17610 13856 1 15 . 1 1 99 99 ILE HA H 93 3.954 3.954 4.057 -0.103 17610 13857 1 15 . 1 1 99 99 ILE C C 93 177.442 177.442 177.566 -0.124 17610 13858 1 15 . 1 1 99 99 ILE CA C 93 62.370 62.370 63.403 -1.033 17610 13859 1 15 . 1 1 99 99 ILE CB C 93 34.570 34.570 36.913 -2.343 17610 13860 1 15 . 1 1 99 99 ILE H H 93 7.583 7.583 7.775 -0.192 17610 13861 1 15 . 1 1 100 100 HIS N N 94 118.387 118.387 119.401 -1.014 17610 13862 1 15 . 1 1 100 100 HIS HA H 94 4.273 4.273 4.456 -0.183 17610 13863 1 15 . 1 1 100 100 HIS C C 94 177.345 177.345 177.218 0.127 17610 13864 1 15 . 1 1 100 100 HIS CA C 94 60.090 60.090 59.543 0.547 17610 13865 1 15 . 1 1 100 100 HIS CB C 94 30.512 30.512 30.278 0.234 17610 13866 1 15 . 1 1 100 100 HIS H H 94 7.799 7.799 7.405 0.394 17610 13867 1 15 . 1 1 101 101 GLN N N 95 117.673 117.673 118.633 -0.960 17610 13868 1 15 . 1 1 101 101 GLN HA H 95 3.941 3.941 3.856 0.085 17610 13869 1 15 . 1 1 101 101 GLN C C 95 179.155 179.155 178.131 1.024 17610 13870 1 15 . 1 1 101 101 GLN CA C 95 58.371 58.371 58.154 0.217 17610 13871 1 15 . 1 1 101 101 GLN CB C 95 27.807 27.807 27.559 0.247 17610 13872 1 15 . 1 1 101 101 GLN H H 95 7.468 7.468 7.692 -0.224 17610 13873 1 15 . 1 1 102 102 TYR N N 96 120.407 120.407 119.919 0.488 17610 13874 1 15 . 1 1 102 102 TYR HA H 96 4.064 4.064 4.141 -0.077 17610 13875 1 15 . 1 1 102 102 TYR C C 96 177.660 177.660 177.732 -0.072 17610 13876 1 15 . 1 1 102 102 TYR CA C 96 62.847 62.847 61.204 1.643 17610 13877 1 15 . 1 1 102 102 TYR CB C 96 37.795 37.795 38.182 -0.387 17610 13878 1 15 . 1 1 102 102 TYR H H 96 7.600 7.600 8.578 -0.978 17610 13879 1 15 . 1 1 103 103 ARG N N 97 119.974 119.974 118.956 1.018 17610 13880 1 15 . 1 1 103 103 ARG HA H 97 3.616 3.616 3.943 -0.327 17610 13881 1 15 . 1 1 103 103 ARG C C 97 177.618 177.618 177.923 -0.305 17610 13882 1 15 . 1 1 103 103 ARG CA C 97 59.938 59.938 59.566 0.372 17610 13883 1 15 . 1 1 103 103 ARG CB C 97 28.599 28.599 29.827 -1.228 17610 13884 1 15 . 1 1 103 103 ARG H H 97 8.395 8.395 7.730 0.665 17610 13885 1 15 . 1 1 104 104 GLU N N 98 118.351 118.351 117.887 0.464 17610 13886 1 15 . 1 1 104 104 GLU HA H 98 3.781 3.781 3.901 -0.120 17610 13887 1 15 . 1 1 104 104 GLU C C 98 178.982 178.982 179.013 -0.031 17610 13888 1 15 . 1 1 104 104 GLU CA C 98 58.900 58.900 59.654 -0.754 17610 13889 1 15 . 1 1 104 104 GLU CB C 98 29.435 29.435 28.835 0.600 17610 13890 1 15 . 1 1 104 104 GLU H H 98 7.970 7.970 7.627 0.343 17610 13891 1 15 . 1 1 105 105 GLN N N 99 121.350 121.350 118.167 3.183 17610 13892 1 15 . 1 1 105 105 GLN HA H 99 3.946 3.946 4.079 -0.133 17610 13893 1 15 . 1 1 105 105 GLN C C 99 177.701 177.701 178.176 -0.475 17610 13894 1 15 . 1 1 105 105 GLN CA C 99 59.037 59.037 58.678 0.359 17610 13895 1 15 . 1 1 105 105 GLN CB C 99 27.938 27.938 28.805 -0.868 17610 13896 1 15 . 1 1 105 105 GLN H H 99 7.907 7.907 7.298 0.609 17610 13897 1 15 . 1 1 106 106 ILE N N 100 121.310 121.310 121.079 0.231 17610 13898 1 15 . 1 1 106 106 ILE HA H 100 3.177 3.177 3.424 -0.247 17610 13899 1 15 . 1 1 106 106 ILE C C 100 177.199 177.199 178.141 -0.942 17610 13900 1 15 . 1 1 106 106 ILE CA C 100 65.682 65.682 65.002 0.680 17610 13901 1 15 . 1 1 106 106 ILE CB C 100 37.874 37.874 37.464 0.410 17610 13902 1 15 . 1 1 106 106 ILE H H 100 7.920 7.920 7.255 0.665 17610 13903 1 15 . 1 1 107 107 LYS N N 101 118.584 118.584 119.232 -0.648 17610 13904 1 15 . 1 1 107 107 LYS HA H 101 3.951 3.951 4.100 -0.149 17610 13905 1 15 . 1 1 107 107 LYS C C 101 179.476 179.476 178.655 0.821 17610 13906 1 15 . 1 1 107 107 LYS CA C 101 59.571 59.571 59.457 0.114 17610 13907 1 15 . 1 1 107 107 LYS CB C 101 32.227 32.227 31.996 0.231 17610 13908 1 15 . 1 1 107 107 LYS H H 101 7.782 7.782 8.176 -0.394 17610 13909 1 15 . 1 1 108 108 ARG N N 102 119.152 119.152 118.560 0.592 17610 13910 1 15 . 1 1 108 108 ARG HA H 102 4.082 4.082 3.999 0.083 17610 13911 1 15 . 1 1 108 108 ARG C C 102 179.582 179.582 178.555 1.027 17610 13912 1 15 . 1 1 108 108 ARG CA C 102 58.946 58.946 59.160 -0.214 17610 13913 1 15 . 1 1 108 108 ARG CB C 102 30.097 30.097 30.058 0.039 17610 13914 1 15 . 1 1 108 108 ARG H H 102 7.777 7.777 7.182 0.595 17610 13915 1 15 . 1 1 109 109 VAL N N 103 119.544 119.544 119.457 0.087 17610 13916 1 15 . 1 1 109 109 VAL HA H 103 3.837 3.837 3.732 0.105 17610 13917 1 15 . 1 1 109 109 VAL C C 103 177.919 177.919 178.053 -0.134 17610 13918 1 15 . 1 1 109 109 VAL CA C 103 65.393 65.393 65.546 -0.153 17610 13919 1 15 . 1 1 109 109 VAL CB C 103 31.599 31.599 31.579 0.020 17610 13920 1 15 . 1 1 109 109 VAL H H 103 8.282 8.282 7.625 0.657 17610 13921 1 15 . 1 1 110 110 LYS N N 104 117.592 117.592 118.007 -0.415 17610 13922 1 15 . 1 1 110 110 LYS HA H 104 4.269 4.269 4.167 0.102 17610 13923 1 15 . 1 1 110 110 LYS C C 104 175.878 175.878 176.193 -0.315 17610 13924 1 15 . 1 1 110 110 LYS CA C 104 54.797 54.797 56.780 -1.983 17610 13925 1 15 . 1 1 110 110 LYS CB C 104 30.687 30.687 32.396 -1.709 17610 13926 1 15 . 1 1 110 110 LYS H H 104 8.117 8.117 8.095 0.022 17610 13927 1 15 . 1 1 111 111 ASP N N 105 122.118 122.118 116.887 5.231 17610 13928 1 15 . 1 1 111 111 ASP HA H 105 4.306 4.306 4.407 -0.101 17610 13929 1 15 . 1 1 111 111 ASP C C 105 174.496 174.496 175.162 -0.666 17610 13930 1 15 . 1 1 111 111 ASP CA C 105 54.442 54.442 55.402 -0.960 17610 13931 1 15 . 1 1 111 111 ASP CB C 105 39.792 39.792 38.828 0.965 17610 13932 1 15 . 1 1 111 111 ASP H H 105 7.958 7.958 7.710 0.248 17610 13933 1 15 . 1 1 112 112 SER N N 106 110.372 110.372 112.735 -2.363 17610 13934 1 15 . 1 1 112 112 SER HA H 106 4.565 4.565 4.692 -0.127 17610 13935 1 15 . 1 1 112 112 SER C C 106 172.985 172.985 173.346 -0.361 17610 13936 1 15 . 1 1 112 112 SER CA C 106 56.779 56.779 56.244 0.535 17610 13937 1 15 . 1 1 112 112 SER CB C 106 65.259 65.259 64.686 0.573 17610 13938 1 15 . 1 1 112 112 SER H H 106 7.539 7.539 7.488 0.051 17610 13939 1 15 . 1 1 113 113 ASP N N 107 123.301 123.301 124.113 -0.812 17610 13940 1 15 . 1 1 113 113 ASP HA H 107 4.665 4.665 4.436 0.229 17610 13941 1 15 . 1 1 113 113 ASP C C 107 176.066 176.066 176.107 -0.041 17610 13942 1 15 . 1 1 113 113 ASP CA C 107 54.267 54.267 56.354 -2.087 17610 13943 1 15 . 1 1 113 113 ASP CB C 107 41.837 41.837 41.173 0.664 17610 13944 1 15 . 1 1 113 113 ASP H H 107 8.385 8.385 8.701 -0.316 17610 13945 1 15 . 1 1 114 114 ASP N N 108 122.347 122.347 118.530 3.817 17610 13946 1 15 . 1 1 114 114 ASP HA H 108 4.882 4.882 4.809 0.072 17610 13947 1 15 . 1 1 114 114 ASP C C 108 174.386 174.386 175.257 -0.871 17610 13948 1 15 . 1 1 114 114 ASP CA C 108 53.143 53.143 52.841 0.302 17610 13949 1 15 . 1 1 114 114 ASP CB C 108 41.323 41.323 40.660 0.663 17610 13950 1 15 . 1 1 114 114 ASP H H 108 8.404 8.404 7.697 0.707 17610 13951 1 15 . 1 1 115 115 VAL N N 109 123.609 123.609 117.036 6.573 17610 13952 1 15 . 1 1 115 115 VAL HA H 109 4.337 4.337 4.304 0.033 17610 13953 1 15 . 1 1 115 115 VAL CA C 109 58.984 58.984 57.628 1.356 17610 13954 1 15 . 1 1 115 115 VAL CB C 109 34.932 34.932 33.215 1.718 17610 13955 1 15 . 1 1 115 115 VAL H H 109 7.649 7.649 7.704 -0.055 17610 13956 1 15 . 1 1 116 116 PRO HA H 110 4.430 4.430 4.620 -0.190 17610 13957 1 15 . 1 1 116 116 PRO C C 110 175.942 175.942 175.607 0.335 17610 13958 1 15 . 1 1 116 116 PRO CA C 110 63.872 63.872 63.455 0.417 17610 13959 1 15 . 1 1 116 116 PRO CB C 110 32.120 32.120 30.683 1.437 17610 13960 1 15 . 1 1 117 117 MET N N 111 124.020 124.020 119.346 4.674 17610 13961 1 15 . 1 1 117 117 MET HA H 111 5.777 5.777 5.462 0.315 17610 13962 1 15 . 1 1 117 117 MET C C 111 173.737 173.737 174.009 -0.272 17610 13963 1 15 . 1 1 117 117 MET CA C 111 55.094 55.094 54.567 0.527 17610 13964 1 15 . 1 1 117 117 MET CB C 111 37.889 37.889 36.891 0.998 17610 13965 1 15 . 1 1 117 117 MET H H 111 8.274 8.274 7.827 0.447 17610 13966 1 15 . 1 1 118 118 VAL N N 112 118.747 118.747 115.707 3.040 17610 13967 1 15 . 1 1 118 118 VAL HA H 112 4.341 4.341 4.556 -0.215 17610 13968 1 15 . 1 1 118 118 VAL C C 112 173.171 173.171 173.446 -0.275 17610 13969 1 15 . 1 1 118 118 VAL CA C 112 60.943 60.943 60.663 0.280 17610 13970 1 15 . 1 1 118 118 VAL CB C 112 37.030 37.030 36.732 0.298 17610 13971 1 15 . 1 1 118 118 VAL H H 112 8.119 8.119 8.472 -0.353 17610 13972 1 15 . 1 1 119 119 LEU N N 113 129.931 129.931 126.701 3.230 17610 13973 1 15 . 1 1 119 119 LEU HA H 113 5.157 5.157 5.427 -0.270 17610 13974 1 15 . 1 1 119 119 LEU C C 113 173.496 173.496 175.142 -1.646 17610 13975 1 15 . 1 1 119 119 LEU CA C 113 53.828 53.828 52.935 0.893 17610 13976 1 15 . 1 1 119 119 LEU CB C 113 43.876 43.876 43.624 0.252 17610 13977 1 15 . 1 1 119 119 LEU H H 113 8.918 8.918 8.421 0.497 17610 13978 1 15 . 1 1 120 120 VAL N N 114 129.371 129.371 126.806 2.565 17610 13979 1 15 . 1 1 120 120 VAL HA H 114 5.117 5.117 4.960 0.157 17610 13980 1 15 . 1 1 120 120 VAL C C 114 173.667 173.667 175.469 -1.802 17610 13981 1 15 . 1 1 120 120 VAL CA C 114 60.124 60.124 60.138 -0.014 17610 13982 1 15 . 1 1 120 120 VAL CB C 114 35.225 35.225 33.971 1.254 17610 13983 1 15 . 1 1 120 120 VAL H H 114 9.173 9.173 8.338 0.835 17610 13984 1 15 . 1 1 121 121 GLY N N 115 115.789 115.789 111.678 4.111 17610 13985 1 15 . 1 1 121 121 GLY C C 115 171.603 171.603 173.316 -1.713 17610 13986 1 15 . 1 1 121 121 GLY CA C 115 45.256 45.256 43.745 1.511 17610 13987 1 15 . 1 1 121 121 GLY H H 115 8.046 8.046 8.546 -0.500 17610 13988 1 15 . 1 1 122 122 ASN N N 116 122.349 122.349 124.049 -1.700 17610 13989 1 15 . 1 1 122 122 ASN HA H 116 5.620 5.620 4.850 0.770 17610 13990 1 15 . 1 1 122 122 ASN C C 116 174.732 174.732 174.734 -0.002 17610 13991 1 15 . 1 1 122 122 ASN CA C 116 51.492 51.492 52.979 -1.487 17610 13992 1 15 . 1 1 122 122 ASN CB C 116 41.323 41.323 40.704 0.619 17610 13993 1 15 . 1 1 122 122 ASN H H 116 8.756 8.756 7.681 1.075 17610 13994 1 15 . 1 1 123 123 LYS N N 117 113.297 113.297 116.674 -3.377 17610 13995 1 15 . 1 1 123 123 LYS HA H 117 4.280 4.280 3.902 0.378 17610 13996 1 15 . 1 1 123 123 LYS C C 117 177.324 177.324 175.230 2.094 17610 13997 1 15 . 1 1 123 123 LYS CA C 117 57.273 57.273 57.203 0.070 17610 13998 1 15 . 1 1 123 123 LYS CB C 117 29.775 29.775 29.936 -0.161 17610 13999 1 15 . 1 1 123 123 LYS H H 117 7.342 7.342 8.793 -1.451 17610 14000 1 15 . 1 1 124 124 CYS N N 118 115.340 115.340 118.263 -2.923 17610 14001 1 15 . 1 1 124 124 CYS HA H 118 4.292 4.292 4.494 -0.202 17610 14002 1 15 . 1 1 124 124 CYS C C 118 173.325 173.325 174.142 -0.817 17610 14003 1 15 . 1 1 124 124 CYS CA C 118 60.698 60.698 58.153 2.546 17610 14004 1 15 . 1 1 124 124 CYS CB C 118 26.387 26.387 27.251 -0.864 17610 14005 1 15 . 1 1 124 124 CYS H H 118 8.763 8.763 8.580 0.183 17610 14006 1 15 . 1 1 125 125 ASP N N 119 118.603 118.603 120.802 -2.199 17610 14007 1 15 . 1 1 125 125 ASP HA H 119 4.476 4.476 4.581 -0.105 17610 14008 1 15 . 1 1 125 125 ASP C C 119 175.464 175.464 176.296 -0.832 17610 14009 1 15 . 1 1 125 125 ASP CA C 119 53.951 53.951 54.288 -0.337 17610 14010 1 15 . 1 1 125 125 ASP CB C 119 41.323 41.323 40.815 0.509 17610 14011 1 15 . 1 1 125 125 ASP H H 119 8.613 8.613 8.142 0.471 17610 14012 1 15 . 1 1 126 126 LEU N N 120 122.098 122.098 119.245 2.853 17610 14013 1 15 . 1 1 126 126 LEU HA H 120 4.241 4.241 4.363 -0.122 17610 14014 1 15 . 1 1 126 126 LEU C C 120 176.420 176.420 176.612 -0.192 17610 14015 1 15 . 1 1 126 126 LEU CA C 120 54.723 54.723 55.273 -0.550 17610 14016 1 15 . 1 1 126 126 LEU CB C 120 41.837 41.837 41.784 0.053 17610 14017 1 15 . 1 1 126 126 LEU H H 120 7.802 7.802 7.795 0.007 17610 14018 1 15 . 1 1 127 127 ALA N N 121 123.959 123.959 122.644 1.315 17610 14019 1 15 . 1 1 127 127 ALA HA H 121 4.214 4.214 4.379 -0.165 17610 14020 1 15 . 1 1 127 127 ALA C C 121 178.717 178.717 176.516 2.201 17610 14021 1 15 . 1 1 127 127 ALA CA C 121 53.179 53.179 51.907 1.272 17610 14022 1 15 . 1 1 127 127 ALA CB C 121 18.871 18.871 18.443 0.428 17610 14023 1 15 . 1 1 127 127 ALA H H 121 8.160 8.160 8.351 -0.191 17610 14024 1 15 . 1 1 128 128 ALA N N 122 123.078 123.078 122.749 0.329 17610 14025 1 15 . 1 1 128 128 ALA HA H 122 4.524 4.524 4.503 0.021 17610 14026 1 15 . 1 1 128 128 ALA C C 122 175.272 175.272 176.837 -1.565 17610 14027 1 15 . 1 1 128 128 ALA CA C 122 51.259 51.259 51.691 -0.432 17610 14028 1 15 . 1 1 128 128 ALA CB C 122 17.623 17.623 19.453 -1.830 17610 14029 1 15 . 1 1 128 128 ALA H H 122 7.698 7.698 7.909 -0.211 17610 14030 1 15 . 1 1 129 129 ARG N N 123 121.454 121.454 118.958 2.496 17610 14031 1 15 . 1 1 129 129 ARG HA H 123 4.093 4.093 4.614 -0.521 17610 14032 1 15 . 1 1 129 129 ARG C C 123 176.271 176.271 176.045 0.226 17610 14033 1 15 . 1 1 129 129 ARG CA C 123 55.596 55.596 55.572 0.024 17610 14034 1 15 . 1 1 129 129 ARG CB C 123 32.696 32.696 31.575 1.121 17610 14035 1 15 . 1 1 129 129 ARG H H 123 7.992 7.992 7.709 0.283 17610 14036 1 15 . 1 1 130 130 THR N N 124 115.617 115.617 111.757 3.860 17610 14037 1 15 . 1 1 130 130 THR HA H 124 4.564 4.564 4.521 0.043 17610 14038 1 15 . 1 1 130 130 THR C C 124 174.119 174.119 175.125 -1.006 17610 14039 1 15 . 1 1 130 130 THR CA C 124 61.746 61.746 62.172 -0.426 17610 14040 1 15 . 1 1 130 130 THR CB C 124 69.094 69.094 70.465 -1.371 17610 14041 1 15 . 1 1 130 130 THR H H 124 9.145 9.145 8.812 0.333 17610 14042 1 15 . 1 1 131 131 VAL N N 125 125.688 125.688 123.258 2.430 17610 14043 1 15 . 1 1 131 131 VAL HA H 125 4.015 4.015 4.145 -0.130 17610 14044 1 15 . 1 1 131 131 VAL C C 125 175.658 175.658 174.660 0.998 17610 14045 1 15 . 1 1 131 131 VAL CA C 125 61.373 61.373 61.743 -0.370 17610 14046 1 15 . 1 1 131 131 VAL CB C 125 33.147 33.147 33.530 -0.383 17610 14047 1 15 . 1 1 131 131 VAL H H 125 7.618 7.618 8.059 -0.441 17610 14048 1 15 . 1 1 132 132 GLU N N 126 128.319 128.319 124.245 4.074 17610 14049 1 15 . 1 1 132 132 GLU HA H 126 4.228 4.228 4.518 -0.290 17610 14050 1 15 . 1 1 132 132 GLU C C 126 177.986 177.986 177.032 0.954 17610 14051 1 15 . 1 1 132 132 GLU CA C 126 56.323 56.323 55.117 1.206 17610 14052 1 15 . 1 1 132 132 GLU CB C 126 30.158 30.158 31.280 -1.122 17610 14053 1 15 . 1 1 132 132 GLU H H 126 8.727 8.727 8.378 0.349 17610 14054 1 15 . 1 1 133 133 SER N N 127 122.970 122.970 116.962 6.008 17610 14055 1 15 . 1 1 133 133 SER HA H 127 4.074 4.074 4.201 -0.127 17610 14056 1 15 . 1 1 133 133 SER C C 127 176.633 176.633 175.833 0.800 17610 14057 1 15 . 1 1 133 133 SER CA C 127 62.598 62.598 61.044 1.554 17610 14058 1 15 . 1 1 133 133 SER CB C 127 62.511 62.511 63.260 -0.749 17610 14059 1 15 . 1 1 133 133 SER H H 127 9.421 9.421 8.879 0.542 17610 14060 1 15 . 1 1 134 134 ARG N N 128 119.141 119.141 121.269 -2.128 17610 14061 1 15 . 1 1 134 134 ARG HA H 128 4.028 4.028 4.067 -0.039 17610 14062 1 15 . 1 1 134 134 ARG C C 128 177.739 177.739 178.521 -0.782 17610 14063 1 15 . 1 1 134 134 ARG CA C 128 58.785 58.785 58.737 0.048 17610 14064 1 15 . 1 1 134 134 ARG CB C 128 29.752 29.752 28.941 0.811 17610 14065 1 15 . 1 1 134 134 ARG H H 128 8.675 8.675 8.437 0.238 17610 14066 1 15 . 1 1 135 135 GLN N N 129 118.050 118.050 118.664 -0.614 17610 14067 1 15 . 1 1 135 135 GLN HA H 129 4.091 4.091 4.034 0.057 17610 14068 1 15 . 1 1 135 135 GLN C C 129 179.009 179.009 177.621 1.388 17610 14069 1 15 . 1 1 135 135 GLN CA C 129 58.389 58.389 58.448 -0.059 17610 14070 1 15 . 1 1 135 135 GLN CB C 129 28.916 28.916 27.643 1.273 17610 14071 1 15 . 1 1 135 135 GLN H H 129 6.796 6.796 8.017 -1.221 17610 14072 1 15 . 1 1 136 136 ALA N N 130 124.769 124.769 121.519 3.250 17610 14073 1 15 . 1 1 136 136 ALA HA H 130 3.933 3.933 3.182 0.751 17610 14074 1 15 . 1 1 136 136 ALA C C 130 178.155 178.155 179.278 -1.123 17610 14075 1 15 . 1 1 136 136 ALA CA C 130 54.760 54.760 54.309 0.451 17610 14076 1 15 . 1 1 136 136 ALA CB C 130 18.546 18.546 17.288 1.258 17610 14077 1 15 . 1 1 136 136 ALA H H 130 7.017 7.017 7.195 -0.178 17610 14078 1 15 . 1 1 137 137 GLN N N 131 119.215 119.215 116.529 2.686 17610 14079 1 15 . 1 1 137 137 GLN HA H 131 3.720 3.720 3.710 0.010 17610 14080 1 15 . 1 1 137 137 GLN C C 131 179.387 179.387 177.665 1.722 17610 14081 1 15 . 1 1 137 137 GLN CA C 131 58.815 58.815 59.593 -0.778 17610 14082 1 15 . 1 1 137 137 GLN CB C 131 28.503 28.503 28.515 -0.012 17610 14083 1 15 . 1 1 137 137 GLN H H 131 8.602 8.602 7.667 0.935 17610 14084 1 15 . 1 1 138 138 ASP N N 132 121.298 121.298 121.158 0.140 17610 14085 1 15 . 1 1 138 138 ASP HA H 132 4.371 4.371 4.364 0.007 17610 14086 1 15 . 1 1 138 138 ASP C C 132 178.855 178.855 178.537 0.318 17610 14087 1 15 . 1 1 138 138 ASP CA C 132 57.425 57.425 57.129 0.296 17610 14088 1 15 . 1 1 138 138 ASP CB C 132 40.860 40.860 40.532 0.328 17610 14089 1 15 . 1 1 138 138 ASP H H 132 8.203 8.203 7.352 0.851 17610 14090 1 15 . 1 1 139 139 LEU N N 133 124.786 124.786 120.690 4.096 17610 14091 1 15 . 1 1 139 139 LEU HA H 133 3.888 3.888 4.012 -0.124 17610 14092 1 15 . 1 1 139 139 LEU C C 133 178.953 178.953 178.423 0.530 17610 14093 1 15 . 1 1 139 139 LEU CA C 133 57.827 57.827 58.003 -0.176 17610 14094 1 15 . 1 1 139 139 LEU CB C 133 41.837 41.837 41.193 0.644 17610 14095 1 15 . 1 1 139 139 LEU H H 133 7.485 7.485 7.523 -0.038 17610 14096 1 15 . 1 1 140 140 ALA N N 134 123.038 123.038 121.378 1.660 17610 14097 1 15 . 1 1 140 140 ALA HA H 134 3.783 3.783 3.795 -0.012 17610 14098 1 15 . 1 1 140 140 ALA C C 134 179.902 179.902 179.186 0.716 17610 14099 1 15 . 1 1 140 140 ALA CA C 134 55.832 55.832 55.042 0.790 17610 14100 1 15 . 1 1 140 140 ALA CB C 134 18.120 18.120 18.367 -0.247 17610 14101 1 15 . 1 1 140 140 ALA H H 134 8.426 8.426 7.515 0.911 17610 14102 1 15 . 1 1 141 141 ARG N N 135 119.537 119.537 118.842 0.695 17610 14103 1 15 . 1 1 141 141 ARG HA H 135 4.194 4.194 4.002 0.192 17610 14104 1 15 . 1 1 141 141 ARG C C 135 180.037 180.037 178.481 1.556 17610 14105 1 15 . 1 1 141 141 ARG CA C 135 59.331 59.331 59.324 0.007 17610 14106 1 15 . 1 1 141 141 ARG CB C 135 29.864 29.864 30.167 -0.303 17610 14107 1 15 . 1 1 141 141 ARG H H 135 8.459 8.459 8.629 -0.170 17610 14108 1 15 . 1 1 142 142 SER N N 136 118.958 118.958 113.379 5.579 17610 14109 1 15 . 1 1 142 142 SER HA H 136 4.277 4.277 4.304 -0.027 17610 14110 1 15 . 1 1 142 142 SER C C 136 176.127 176.127 175.660 0.467 17610 14111 1 15 . 1 1 142 142 SER CA C 136 61.509 61.509 60.642 0.867 17610 14112 1 15 . 1 1 142 142 SER CB C 136 62.529 62.529 63.173 -0.644 17610 14113 1 15 . 1 1 142 142 SER H H 136 7.944 7.944 7.819 0.124 17610 14114 1 15 . 1 1 143 143 TYR N N 137 121.309 121.309 118.279 3.030 17610 14115 1 15 . 1 1 143 143 TYR HA H 137 4.907 4.907 4.435 0.472 17610 14116 1 15 . 1 1 143 143 TYR C C 137 176.279 176.279 177.150 -0.871 17610 14117 1 15 . 1 1 143 143 TYR CA C 137 54.737 54.737 58.144 -3.407 17610 14118 1 15 . 1 1 143 143 TYR CB C 137 38.830 38.830 38.508 0.322 17610 14119 1 15 . 1 1 143 143 TYR H H 137 7.623 7.623 7.921 -0.298 17610 14120 1 15 . 1 1 144 144 GLY N N 138 112.193 112.193 106.920 5.273 17610 14121 1 15 . 1 1 144 144 GLY C C 138 175.077 175.077 174.472 0.605 17610 14122 1 15 . 1 1 144 144 GLY CA C 138 46.439 46.439 45.505 0.934 17610 14123 1 15 . 1 1 144 144 GLY H H 138 8.328 8.328 7.742 0.586 17610 14124 1 15 . 1 1 145 145 ILE N N 139 114.227 114.227 116.234 -2.007 17610 14125 1 15 . 1 1 145 145 ILE HA H 139 5.241 5.241 4.804 0.437 17610 14126 1 15 . 1 1 145 145 ILE CA C 139 58.420 58.420 57.821 0.599 17610 14127 1 15 . 1 1 145 145 ILE CB C 139 38.543 38.543 39.123 -0.580 17610 14128 1 15 . 1 1 145 145 ILE H H 139 8.059 8.059 7.546 0.513 17610 14129 1 15 . 1 1 146 146 PRO HA H 140 4.627 4.627 4.531 0.096 17610 14130 1 15 . 1 1 146 146 PRO C C 140 174.570 174.570 175.250 -0.680 17610 14131 1 15 . 1 1 146 146 PRO CA C 140 62.362 62.362 62.276 0.086 17610 14132 1 15 . 1 1 146 146 PRO CB C 140 33.057 33.057 32.517 0.540 17610 14133 1 15 . 1 1 147 147 TYR N N 141 121.135 121.135 122.558 -1.423 17610 14134 1 15 . 1 1 147 147 TYR HA H 141 5.997 5.997 5.455 0.542 17610 14135 1 15 . 1 1 147 147 TYR C C 141 174.492 174.492 174.463 0.029 17610 14136 1 15 . 1 1 147 147 TYR CA C 141 54.912 54.912 56.120 -1.208 17610 14137 1 15 . 1 1 147 147 TYR CB C 141 40.972 40.972 39.896 1.076 17610 14138 1 15 . 1 1 147 147 TYR H H 141 8.252 8.252 8.406 -0.154 17610 14139 1 15 . 1 1 148 148 ILE N N 142 131.362 131.362 128.152 3.210 17610 14140 1 15 . 1 1 148 148 ILE HA H 142 3.948 3.948 4.183 -0.235 17610 14141 1 15 . 1 1 148 148 ILE C C 142 172.977 172.977 174.355 -1.378 17610 14142 1 15 . 1 1 148 148 ILE CA C 142 59.383 59.383 59.367 0.015 17610 14143 1 15 . 1 1 148 148 ILE CB C 142 42.260 42.260 41.372 0.888 17610 14144 1 15 . 1 1 148 148 ILE H H 142 8.495 8.495 8.463 0.032 17610 14145 1 15 . 1 1 149 149 GLU N N 143 125.874 125.874 121.991 3.883 17610 14146 1 15 . 1 1 149 149 GLU HA H 143 4.788 4.788 4.666 0.122 17610 14147 1 15 . 1 1 149 149 GLU C C 143 176.128 176.128 175.250 0.878 17610 14148 1 15 . 1 1 149 149 GLU CA C 143 55.647 55.647 55.252 0.395 17610 14149 1 15 . 1 1 149 149 GLU CB C 143 29.727 29.727 31.785 -2.058 17610 14150 1 15 . 1 1 149 149 GLU H H 143 7.827 7.827 8.396 -0.569 17610 14151 1 15 . 1 1 150 150 THR N N 144 113.629 113.629 114.313 -0.684 17610 14152 1 15 . 1 1 150 150 THR HA H 144 5.081 5.081 5.390 -0.309 17610 14153 1 15 . 1 1 150 150 THR C C 144 176.136 176.136 173.196 2.940 17610 14154 1 15 . 1 1 150 150 THR CA C 144 59.464 59.464 59.471 -0.007 17610 14155 1 15 . 1 1 150 150 THR CB C 144 73.639 73.639 71.734 1.905 17610 14156 1 15 . 1 1 150 150 THR H H 144 8.800 8.800 8.830 -0.030 17610 14157 1 15 . 1 1 151 151 SER N N 145 113.706 113.706 114.431 -0.725 17610 14158 1 15 . 1 1 151 151 SER HA H 145 4.883 4.883 4.878 0.005 17610 14159 1 15 . 1 1 151 151 SER C C 145 175.707 175.707 174.200 1.507 17610 14160 1 15 . 1 1 151 151 SER CA C 145 57.438 57.438 57.233 0.205 17610 14161 1 15 . 1 1 151 151 SER CB C 145 64.470 64.470 65.365 -0.895 17610 14162 1 15 . 1 1 151 151 SER H H 145 8.807 8.807 8.117 0.690 17610 14163 1 15 . 1 1 152 152 ALA N N 146 133.500 133.500 128.546 4.954 17610 14164 1 15 . 1 1 152 152 ALA HA H 146 3.890 3.890 4.065 -0.175 17610 14165 1 15 . 1 1 152 152 ALA C C 146 175.632 175.632 177.385 -1.753 17610 14166 1 15 . 1 1 152 152 ALA CA C 146 54.416 54.416 54.583 -0.167 17610 14167 1 15 . 1 1 152 152 ALA CB C 146 18.605 18.605 19.002 -0.397 17610 14168 1 15 . 1 1 152 152 ALA H H 146 9.134 9.134 8.797 0.337 17610 14169 1 15 . 1 1 153 153 LYS N N 147 117.223 117.223 117.998 -0.775 17610 14170 1 15 . 1 1 153 153 LYS HA H 147 2.616 2.616 2.928 -0.312 17610 14171 1 15 . 1 1 153 153 LYS C C 147 177.045 177.045 177.548 -0.503 17610 14172 1 15 . 1 1 153 153 LYS CA C 147 58.119 58.119 58.163 -0.043 17610 14173 1 15 . 1 1 153 153 LYS CB C 147 33.956 33.956 31.826 2.130 17610 14174 1 15 . 1 1 153 153 LYS H H 147 7.042 7.042 8.194 -1.152 17610 14175 1 15 . 1 1 154 154 THR N N 148 107.404 107.404 108.815 -1.411 17610 14176 1 15 . 1 1 154 154 THR HA H 148 4.157 4.157 4.101 0.056 17610 14177 1 15 . 1 1 154 154 THR C C 148 175.979 175.979 174.594 1.385 17610 14178 1 15 . 1 1 154 154 THR CA C 148 61.489 61.489 62.540 -1.051 17610 14179 1 15 . 1 1 154 154 THR CB C 148 69.911 69.911 69.228 0.683 17610 14180 1 15 . 1 1 154 154 THR H H 148 7.721 7.721 7.840 -0.119 17610 14181 1 15 . 1 1 155 155 ARG N N 149 119.268 119.268 120.671 -1.403 17610 14182 1 15 . 1 1 155 155 ARG HA H 149 3.476 3.476 3.913 -0.437 17610 14183 1 15 . 1 1 155 155 ARG C C 149 175.481 175.481 173.942 1.539 17610 14184 1 15 . 1 1 155 155 ARG CA C 149 59.653 59.653 56.831 2.822 17610 14185 1 15 . 1 1 155 155 ARG CB C 149 30.445 30.445 28.360 2.085 17610 14186 1 15 . 1 1 155 155 ARG H H 149 7.814 7.814 7.884 -0.070 17610 14187 1 15 . 1 1 156 156 GLN N N 150 125.391 125.391 122.550 2.841 17610 14188 1 15 . 1 1 156 156 GLN HA H 150 4.065 4.065 4.496 -0.431 17610 14189 1 15 . 1 1 156 156 GLN C C 150 177.007 177.007 175.822 1.185 17610 14190 1 15 . 1 1 156 156 GLN CA C 150 57.433 57.433 54.995 2.438 17610 14191 1 15 . 1 1 156 156 GLN CB C 150 28.472 28.472 31.034 -2.562 17610 14192 1 15 . 1 1 156 156 GLN H H 150 7.833 7.833 7.769 0.064 17610 14193 1 15 . 1 1 157 157 GLY N N 151 116.380 116.380 114.513 1.867 17610 14194 1 15 . 1 1 157 157 GLY C C 151 173.581 173.581 174.892 -1.311 17610 14195 1 15 . 1 1 157 157 GLY CA C 151 46.945 46.945 46.331 0.614 17610 14196 1 15 . 1 1 157 157 GLY H H 151 8.936 8.936 9.063 -0.127 17610 14197 1 15 . 1 1 158 158 VAL N N 152 121.822 121.822 119.447 2.375 17610 14198 1 15 . 1 1 158 158 VAL HA H 152 3.221 3.221 3.599 -0.378 17610 14199 1 15 . 1 1 158 158 VAL C C 152 177.006 177.006 177.812 -0.806 17610 14200 1 15 . 1 1 158 158 VAL CA C 152 68.314 68.314 66.170 2.144 17610 14201 1 15 . 1 1 158 158 VAL CB C 152 31.473 31.473 31.617 -0.144 17610 14202 1 15 . 1 1 158 158 VAL H H 152 7.099 7.099 8.119 -1.020 17610 14203 1 15 . 1 1 159 159 GLU N N 153 118.087 118.087 118.555 -0.468 17610 14204 1 15 . 1 1 159 159 GLU HA H 153 3.305 3.305 3.929 -0.624 17610 14205 1 15 . 1 1 159 159 GLU C C 153 177.163 177.163 178.434 -1.271 17610 14206 1 15 . 1 1 159 159 GLU CA C 153 60.407 60.407 59.387 1.020 17610 14207 1 15 . 1 1 159 159 GLU CB C 153 28.787 28.787 28.836 -0.049 17610 14208 1 15 . 1 1 159 159 GLU H H 153 8.271 8.271 8.776 -0.505 17610 14209 1 15 . 1 1 160 160 ASP N N 154 117.624 117.624 120.183 -2.559 17610 14210 1 15 . 1 1 160 160 ASP HA H 154 4.205 4.205 4.583 -0.378 17610 14211 1 15 . 1 1 160 160 ASP C C 154 179.366 179.366 177.991 1.375 17610 14212 1 15 . 1 1 160 160 ASP CA C 154 57.288 57.288 57.456 -0.168 17610 14213 1 15 . 1 1 160 160 ASP CB C 154 40.040 40.040 40.424 -0.384 17610 14214 1 15 . 1 1 160 160 ASP H H 154 8.145 8.145 8.348 -0.203 17610 14215 1 15 . 1 1 161 161 ALA N N 155 125.270 125.270 121.407 3.863 17610 14216 1 15 . 1 1 161 161 ALA HA H 155 3.749 3.749 4.077 -0.328 17610 14217 1 15 . 1 1 161 161 ALA C C 155 177.684 177.684 179.410 -1.726 17610 14218 1 15 . 1 1 161 161 ALA CA C 155 56.295 56.295 54.601 1.694 17610 14219 1 15 . 1 1 161 161 ALA CB C 155 17.397 17.397 18.438 -1.041 17610 14220 1 15 . 1 1 161 161 ALA H H 155 8.603 8.603 7.403 1.200 17610 14221 1 15 . 1 1 162 162 PHE N N 156 113.772 113.772 118.209 -4.437 17610 14222 1 15 . 1 1 162 162 PHE HA H 156 3.912 3.912 4.090 -0.178 17610 14223 1 15 . 1 1 162 162 PHE C C 156 177.975 177.975 178.315 -0.340 17610 14224 1 15 . 1 1 162 162 PHE CA C 156 62.851 62.851 62.069 0.783 17610 14225 1 15 . 1 1 162 162 PHE CB C 156 39.472 39.472 38.709 0.763 17610 14226 1 15 . 1 1 162 162 PHE H H 156 7.236 7.236 7.421 -0.185 17610 14227 1 15 . 1 1 163 163 TYR N N 157 120.499 120.499 117.953 2.546 17610 14228 1 15 . 1 1 163 163 TYR HA H 157 4.355 4.355 4.184 0.171 17610 14229 1 15 . 1 1 163 163 TYR C C 157 179.097 179.097 178.258 0.839 17610 14230 1 15 . 1 1 163 163 TYR CA C 157 58.309 58.309 60.534 -2.225 17610 14231 1 15 . 1 1 163 163 TYR CB C 157 35.012 35.012 37.126 -2.114 17610 14232 1 15 . 1 1 163 163 TYR H H 157 9.573 9.573 8.765 0.808 17610 14233 1 15 . 1 1 164 164 THR N N 158 118.206 118.206 116.065 2.141 17610 14234 1 15 . 1 1 164 164 THR HA H 158 3.903 3.903 3.940 -0.037 17610 14235 1 15 . 1 1 164 164 THR C C 158 175.656 175.656 176.404 -0.748 17610 14236 1 15 . 1 1 164 164 THR CA C 158 67.484 67.484 66.723 0.761 17610 14237 1 15 . 1 1 164 164 THR CB C 158 67.819 67.819 68.638 -0.819 17610 14238 1 15 . 1 1 164 164 THR H H 158 8.538 8.538 7.663 0.875 17610 14239 1 15 . 1 1 165 165 LEU N N 159 122.864 122.864 122.474 0.390 17610 14240 1 15 . 1 1 165 165 LEU HA H 159 3.871 3.871 4.103 -0.232 17610 14241 1 15 . 1 1 165 165 LEU C C 159 177.513 177.513 177.814 -0.301 17610 14242 1 15 . 1 1 165 165 LEU CA C 159 57.991 57.991 58.195 -0.204 17610 14243 1 15 . 1 1 165 165 LEU CB C 159 40.181 40.181 41.354 -1.173 17610 14244 1 15 . 1 1 165 165 LEU H H 159 7.232 7.232 7.724 -0.492 17610 14245 1 15 . 1 1 166 166 VAL N N 160 120.322 120.322 118.475 1.847 17610 14246 1 15 . 1 1 166 166 VAL HA H 160 3.045 3.045 3.341 -0.296 17610 14247 1 15 . 1 1 166 166 VAL C C 160 177.474 177.474 178.303 -0.829 17610 14248 1 15 . 1 1 166 166 VAL CA C 160 67.389 67.389 66.856 0.533 17610 14249 1 15 . 1 1 166 166 VAL CB C 160 30.944 30.944 31.180 -0.236 17610 14250 1 15 . 1 1 166 166 VAL H H 160 7.517 7.517 7.275 0.242 17610 14251 1 15 . 1 1 167 167 ARG N N 161 120.151 120.151 119.060 1.091 17610 14252 1 15 . 1 1 167 167 ARG HA H 161 3.772 3.772 4.019 -0.247 17610 14253 1 15 . 1 1 167 167 ARG C C 161 179.030 179.030 178.900 0.130 17610 14254 1 15 . 1 1 167 167 ARG CA C 161 60.935 60.935 59.977 0.958 17610 14255 1 15 . 1 1 167 167 ARG CB C 161 29.586 29.586 30.075 -0.488 17610 14256 1 15 . 1 1 167 167 ARG H H 161 8.044 8.044 7.482 0.562 17610 14257 1 15 . 1 1 168 168 GLU N N 162 119.201 119.201 120.629 -1.428 17610 14258 1 15 . 1 1 168 168 GLU HA H 162 4.050 4.050 4.179 -0.129 17610 14259 1 15 . 1 1 168 168 GLU C C 162 179.805 179.805 179.149 0.656 17610 14260 1 15 . 1 1 168 168 GLU CA C 162 58.867 58.867 59.350 -0.483 17610 14261 1 15 . 1 1 168 168 GLU CB C 162 30.330 30.330 29.331 0.999 17610 14262 1 15 . 1 1 168 168 GLU H H 162 8.171 8.171 7.719 0.452 17610 14263 1 15 . 1 1 169 169 ILE N N 163 123.244 123.244 119.295 3.949 17610 14264 1 15 . 1 1 169 169 ILE HA H 163 3.583 3.583 3.793 -0.210 17610 14265 1 15 . 1 1 169 169 ILE C C 163 178.906 178.906 177.685 1.221 17610 14266 1 15 . 1 1 169 169 ILE CA C 163 66.023 66.023 65.228 0.795 17610 14267 1 15 . 1 1 169 169 ILE CB C 163 38.204 38.204 37.887 0.317 17610 14268 1 15 . 1 1 169 169 ILE H H 163 8.174 8.174 8.246 -0.072 17610 14269 1 15 . 1 1 170 170 ARG N N 164 119.842 119.842 117.428 2.414 17610 14270 1 15 . 1 1 170 170 ARG HA H 164 4.140 4.140 4.114 0.026 17610 14271 1 15 . 1 1 170 170 ARG C C 164 177.532 177.532 178.589 -1.057 17610 14272 1 15 . 1 1 170 170 ARG CA C 164 58.944 58.944 58.627 0.317 17610 14273 1 15 . 1 1 170 170 ARG CB C 164 31.206 31.206 30.624 0.582 17610 14274 1 15 . 1 1 170 170 ARG H H 164 8.405 8.405 7.877 0.528 17610 14275 1 15 . 1 1 171 171 GLN N N 165 116.762 116.762 115.496 1.266 17610 14276 1 15 . 1 1 171 171 GLN HA H 165 4.343 4.343 4.227 0.116 17610 14277 1 15 . 1 1 171 171 GLN C C 165 175.218 175.218 176.885 -1.667 17610 14278 1 15 . 1 1 171 171 GLN CA C 165 56.100 56.100 57.385 -1.285 17610 14279 1 15 . 1 1 171 171 GLN CB C 165 29.236 29.236 29.490 -0.254 17610 14280 1 15 . 1 1 171 171 GLN H H 165 7.646 7.646 7.775 -0.129 17610 14281 1 16 . 1 1 8 8 THR N N 2 124.188 124.188 117.490 6.698 17610 14282 1 16 . 1 1 8 8 THR HA H 2 3.983 3.983 4.329 -0.346 17610 14283 1 16 . 1 1 8 8 THR C C 2 171.971 171.971 173.268 -1.297 17610 14284 1 16 . 1 1 8 8 THR CA C 2 63.551 63.551 62.431 1.120 17610 14285 1 16 . 1 1 8 8 THR CB C 2 69.619 69.619 70.049 -0.430 17610 14286 1 16 . 1 1 8 8 THR H H 2 8.667 8.667 8.435 0.232 17610 14287 1 16 . 1 1 9 9 GLU N N 3 127.895 127.895 124.372 3.523 17610 14288 1 16 . 1 1 9 9 GLU HA H 3 5.280 5.280 4.376 0.904 17610 14289 1 16 . 1 1 9 9 GLU C C 3 175.089 175.089 174.975 0.114 17610 14290 1 16 . 1 1 9 9 GLU CA C 3 53.636 53.636 56.027 -2.391 17610 14291 1 16 . 1 1 9 9 GLU CB C 3 32.029 32.029 31.052 0.977 17610 14292 1 16 . 1 1 9 9 GLU H H 3 8.316 8.316 8.421 -0.105 17610 14293 1 16 . 1 1 10 10 TYR N N 4 123.375 123.375 124.839 -1.464 17610 14294 1 16 . 1 1 10 10 TYR HA H 4 5.131 5.131 4.696 0.435 17610 14295 1 16 . 1 1 10 10 TYR C C 4 174.621 174.621 175.200 -0.579 17610 14296 1 16 . 1 1 10 10 TYR CA C 4 56.649 56.649 56.307 0.341 17610 14297 1 16 . 1 1 10 10 TYR CB C 4 41.323 41.323 41.509 -0.186 17610 14298 1 16 . 1 1 10 10 TYR H H 4 8.739 8.739 8.099 0.640 17610 14299 1 16 . 1 1 11 11 LYS N N 5 125.147 125.147 122.611 2.536 17610 14300 1 16 . 1 1 11 11 LYS HA H 5 5.168 5.168 4.597 0.571 17610 14301 1 16 . 1 1 11 11 LYS C C 5 175.291 175.291 175.129 0.162 17610 14302 1 16 . 1 1 11 11 LYS CA C 5 55.145 55.145 55.430 -0.285 17610 14303 1 16 . 1 1 11 11 LYS CB C 5 32.225 32.225 33.519 -1.294 17610 14304 1 16 . 1 1 11 11 LYS H H 5 9.142 9.142 8.637 0.505 17610 14305 1 16 . 1 1 12 12 LEU N N 6 127.306 127.306 126.329 0.977 17610 14306 1 16 . 1 1 12 12 LEU HA H 6 4.970 4.970 4.398 0.572 17610 14307 1 16 . 1 1 12 12 LEU C C 6 175.298 175.298 175.840 -0.542 17610 14308 1 16 . 1 1 12 12 LEU CA C 6 52.743 52.743 54.053 -1.310 17610 14309 1 16 . 1 1 12 12 LEU CB C 6 43.063 43.063 41.227 1.836 17610 14310 1 16 . 1 1 12 12 LEU H H 6 9.150 9.150 8.482 0.668 17610 14311 1 16 . 1 1 13 13 VAL N N 7 123.170 123.170 126.897 -3.727 17610 14312 1 16 . 1 1 13 13 VAL HA H 7 4.827 4.827 4.166 0.661 17610 14313 1 16 . 1 1 13 13 VAL C C 7 174.230 174.230 174.717 -0.487 17610 14314 1 16 . 1 1 13 13 VAL CB C 7 34.048 34.048 30.861 3.187 17610 14315 1 16 . 1 1 13 13 VAL H H 7 8.113 8.113 8.719 -0.606 17610 14316 1 16 . 1 1 14 14 VAL N N 8 129.854 129.854 129.461 0.393 17610 14317 1 16 . 1 1 14 14 VAL HA H 8 4.669 4.669 4.259 0.410 17610 14318 1 16 . 1 1 14 14 VAL C C 8 175.377 175.377 175.792 -0.415 17610 14319 1 16 . 1 1 14 14 VAL CA C 8 61.935 61.935 61.094 0.841 17610 14320 1 16 . 1 1 14 14 VAL CB C 8 32.496 32.496 31.425 1.071 17610 14321 1 16 . 1 1 14 14 VAL H H 8 8.707 8.707 7.937 0.770 17610 14322 1 16 . 1 1 15 15 VAL N N 9 121.835 121.835 122.466 -0.631 17610 14323 1 16 . 1 1 15 15 VAL HA H 9 4.616 4.616 4.510 0.106 17610 14324 1 16 . 1 1 15 15 VAL C C 9 172.824 172.824 175.253 -2.429 17610 14325 1 16 . 1 1 15 15 VAL CA C 9 58.963 58.963 58.989 -0.026 17610 14326 1 16 . 1 1 15 15 VAL CB C 9 35.405 35.405 32.743 2.662 17610 14327 1 16 . 1 1 15 15 VAL H H 9 9.107 9.107 7.672 1.435 17610 14328 1 16 . 1 1 16 16 GLY N N 10 109.233 109.233 105.763 3.470 17610 14329 1 16 . 1 1 16 16 GLY C C 10 172.504 172.504 172.823 -0.319 17610 14330 1 16 . 1 1 16 16 GLY CA C 10 43.848 43.848 44.045 -0.197 17610 14331 1 16 . 1 1 16 16 GLY H H 10 7.394 7.394 8.087 -0.693 17610 14332 1 16 . 1 1 17 17 ALA N N 11 123.120 123.120 120.334 2.786 17610 14333 1 16 . 1 1 17 17 ALA HA H 11 4.547 4.547 4.888 -0.341 17610 14334 1 16 . 1 1 17 17 ALA C C 11 177.371 177.371 177.009 0.362 17610 14335 1 16 . 1 1 17 17 ALA CA C 11 52.236 52.236 51.848 0.388 17610 14336 1 16 . 1 1 17 17 ALA CB C 11 19.807 19.807 20.151 -0.344 17610 14337 1 16 . 1 1 17 17 ALA H H 11 9.054 9.054 8.270 0.784 17610 14338 1 16 . 1 1 18 18 GLY N N 12 107.391 107.391 109.651 -2.260 17610 14339 1 16 . 1 1 18 18 GLY C C 12 176.858 176.858 175.343 1.515 17610 14340 1 16 . 1 1 18 18 GLY CA C 12 46.465 46.465 46.196 0.269 17610 14341 1 16 . 1 1 18 18 GLY H H 12 8.694 8.694 8.184 0.510 17610 14342 1 16 . 1 1 19 19 GLY N N 13 114.596 114.596 112.947 1.649 17610 14343 1 16 . 1 1 19 19 GLY C C 13 174.661 174.661 173.123 1.538 17610 14344 1 16 . 1 1 19 19 GLY CA C 13 46.545 46.545 44.222 2.323 17610 14345 1 16 . 1 1 19 19 GLY H H 13 8.916 8.916 8.140 0.776 17610 14346 1 16 . 1 1 20 20 VAL N N 14 113.376 113.376 118.269 -4.893 17610 14347 1 16 . 1 1 20 20 VAL HA H 14 4.008 4.008 4.518 -0.510 17610 14348 1 16 . 1 1 20 20 VAL C C 14 174.469 174.469 174.582 -0.113 17610 14349 1 16 . 1 1 20 20 VAL CA C 14 62.825 62.825 59.469 3.356 17610 14350 1 16 . 1 1 20 20 VAL CB C 14 31.740 31.740 34.687 -2.947 17610 14351 1 16 . 1 1 20 20 VAL H H 14 7.427 7.427 7.219 0.208 17610 14352 1 16 . 1 1 21 21 GLY N N 15 109.392 109.392 108.019 1.373 17610 14353 1 16 . 1 1 21 21 GLY C C 15 173.254 173.254 174.838 -1.584 17610 14354 1 16 . 1 1 21 21 GLY CA C 15 45.708 45.708 44.194 1.514 17610 14355 1 16 . 1 1 21 21 GLY H H 15 8.388 8.388 8.714 -0.326 17610 14356 1 16 . 1 1 22 22 LYS N N 16 124.844 124.844 120.528 4.316 17610 14357 1 16 . 1 1 22 22 LYS HA H 16 3.537 3.537 3.956 -0.419 17610 14358 1 16 . 1 1 22 22 LYS C C 16 179.106 179.106 177.287 1.819 17610 14359 1 16 . 1 1 22 22 LYS CA C 16 60.990 60.990 58.670 2.320 17610 14360 1 16 . 1 1 22 22 LYS CB C 16 29.967 29.967 31.711 -1.744 17610 14361 1 16 . 1 1 22 22 LYS H H 16 9.097 9.097 8.192 0.905 17610 14362 1 16 . 1 1 23 23 SER N N 17 121.228 121.228 114.952 6.276 17610 14363 1 16 . 1 1 23 23 SER HA H 17 4.292 4.292 4.360 -0.068 17610 14364 1 16 . 1 1 23 23 SER C C 17 175.697 175.697 176.364 -0.667 17610 14365 1 16 . 1 1 23 23 SER CA C 17 61.346 61.346 61.543 -0.197 17610 14366 1 16 . 1 1 23 23 SER CB C 17 61.337 61.337 62.730 -1.393 17610 14367 1 16 . 1 1 23 23 SER H H 17 9.546 9.546 8.411 1.135 17610 14368 1 16 . 1 1 24 24 ALA N N 18 126.557 126.557 125.046 1.511 17610 14369 1 16 . 1 1 24 24 ALA HA H 18 3.946 3.946 3.892 0.054 17610 14370 1 16 . 1 1 24 24 ALA C C 18 181.834 181.834 179.617 2.217 17610 14371 1 16 . 1 1 24 24 ALA CA C 18 54.587 54.587 54.521 0.066 17610 14372 1 16 . 1 1 24 24 ALA CB C 18 18.539 18.539 18.252 0.287 17610 14373 1 16 . 1 1 24 24 ALA H H 18 9.189 9.189 7.996 1.193 17610 14374 1 16 . 1 1 25 25 LEU N N 19 121.712 121.712 118.595 3.117 17610 14375 1 16 . 1 1 25 25 LEU HA H 19 3.878 3.878 3.943 -0.065 17610 14376 1 16 . 1 1 25 25 LEU C C 19 177.485 177.485 179.309 -1.824 17610 14377 1 16 . 1 1 25 25 LEU CA C 19 58.729 58.729 58.034 0.695 17610 14378 1 16 . 1 1 25 25 LEU CB C 19 43.227 43.227 41.871 1.356 17610 14379 1 16 . 1 1 25 25 LEU H H 19 8.817 8.817 7.991 0.826 17610 14380 1 16 . 1 1 26 26 THR N N 20 118.148 118.148 115.074 3.074 17610 14381 1 16 . 1 1 26 26 THR HA H 20 3.401 3.401 3.961 -0.560 17610 14382 1 16 . 1 1 26 26 THR C C 20 175.714 175.714 176.519 -0.805 17610 14383 1 16 . 1 1 26 26 THR CA C 20 68.122 68.122 66.581 1.541 17610 14384 1 16 . 1 1 26 26 THR CB C 20 68.196 68.196 68.828 -0.632 17610 14385 1 16 . 1 1 26 26 THR H H 20 7.517 7.517 7.556 -0.039 17610 14386 1 16 . 1 1 27 27 ILE N N 21 121.987 121.987 120.265 1.722 17610 14387 1 16 . 1 1 27 27 ILE HA H 21 3.302 3.302 3.333 -0.031 17610 14388 1 16 . 1 1 27 27 ILE C C 21 175.380 175.380 177.942 -2.562 17610 14389 1 16 . 1 1 27 27 ILE CA C 21 64.278 64.278 62.867 1.411 17610 14390 1 16 . 1 1 27 27 ILE CB C 21 36.758 36.758 35.550 1.208 17610 14391 1 16 . 1 1 27 27 ILE H H 21 8.950 8.950 7.786 1.164 17610 14392 1 16 . 1 1 28 28 GLN N N 22 121.898 121.898 118.398 3.500 17610 14393 1 16 . 1 1 28 28 GLN HA H 22 4.334 4.334 4.009 0.325 17610 14394 1 16 . 1 1 28 28 GLN C C 22 179.058 179.058 178.698 0.360 17610 14395 1 16 . 1 1 28 28 GLN CA C 22 58.796 58.796 58.720 0.076 17610 14396 1 16 . 1 1 28 28 GLN CB C 22 29.752 29.752 28.206 1.546 17610 14397 1 16 . 1 1 28 28 GLN H H 22 8.094 8.094 8.150 -0.056 17610 14398 1 16 . 1 1 29 29 LEU N N 23 121.426 121.426 119.091 2.335 17610 14399 1 16 . 1 1 29 29 LEU HA H 23 3.765 3.765 4.074 -0.309 17610 14400 1 16 . 1 1 29 29 LEU C C 23 178.155 178.155 177.356 0.799 17610 14401 1 16 . 1 1 29 29 LEU CA C 23 58.304 58.304 56.448 1.856 17610 14402 1 16 . 1 1 29 29 LEU CB C 23 40.637 40.637 41.466 -0.829 17610 14403 1 16 . 1 1 29 29 LEU H H 23 7.746 7.746 7.467 0.279 17610 14404 1 16 . 1 1 30 30 ILE N N 24 115.325 115.325 118.816 -3.491 17610 14405 1 16 . 1 1 30 30 ILE HA H 24 3.697 3.697 3.850 -0.153 17610 14406 1 16 . 1 1 30 30 ILE C C 24 177.421 177.421 177.292 0.129 17610 14407 1 16 . 1 1 30 30 ILE CA C 24 62.050 62.050 62.666 -0.616 17610 14408 1 16 . 1 1 30 30 ILE CB C 24 37.183 37.183 37.794 -0.611 17610 14409 1 16 . 1 1 30 30 ILE H H 24 8.115 8.115 7.309 0.806 17610 14410 1 16 . 1 1 31 31 GLN N N 25 117.213 117.213 116.678 0.535 17610 14411 1 16 . 1 1 31 31 GLN HA H 25 4.539 4.539 4.303 0.236 17610 14412 1 16 . 1 1 31 31 GLN C C 25 176.149 176.149 175.009 1.140 17610 14413 1 16 . 1 1 31 31 GLN CA C 25 55.234 55.234 55.317 -0.083 17610 14414 1 16 . 1 1 31 31 GLN CB C 25 30.184 30.184 29.896 0.287 17610 14415 1 16 . 1 1 31 31 GLN H H 25 8.887 8.887 7.912 0.975 17610 14416 1 16 . 1 1 32 32 ASN N N 26 117.820 117.820 116.194 1.626 17610 14417 1 16 . 1 1 32 32 ASN HA H 26 4.807 4.807 4.281 0.526 17610 14418 1 16 . 1 1 32 32 ASN C C 26 174.051 174.051 173.619 0.432 17610 14419 1 16 . 1 1 32 32 ASN CA C 26 54.310 54.310 53.708 0.602 17610 14420 1 16 . 1 1 32 32 ASN CB C 26 37.184 37.184 36.670 0.514 17610 14421 1 16 . 1 1 32 32 ASN H H 26 7.982 7.982 7.822 0.160 17610 14422 1 16 . 1 1 33 33 HIS N N 27 112.968 112.968 115.131 -2.163 17610 14423 1 16 . 1 1 33 33 HIS HA H 27 4.889 4.889 4.616 0.273 17610 14424 1 16 . 1 1 33 33 HIS C C 27 172.514 172.514 172.995 -0.481 17610 14425 1 16 . 1 1 33 33 HIS CA C 27 54.314 54.314 54.598 -0.284 17610 14426 1 16 . 1 1 33 33 HIS CB C 27 32.616 32.616 30.762 1.855 17610 14427 1 16 . 1 1 33 33 HIS H H 27 6.804 6.804 7.184 -0.380 17610 14428 1 16 . 1 1 34 34 PHE N N 28 123.605 123.605 123.336 0.269 17610 14429 1 16 . 1 1 34 34 PHE HA H 28 4.914 4.914 4.480 0.434 17610 14430 1 16 . 1 1 34 34 PHE C C 28 174.641 174.641 175.541 -0.900 17610 14431 1 16 . 1 1 34 34 PHE CA C 28 55.754 55.754 57.920 -2.166 17610 14432 1 16 . 1 1 34 34 PHE CB C 28 40.573 40.573 39.596 0.977 17610 14433 1 16 . 1 1 34 34 PHE H H 28 8.462 8.462 8.450 0.012 17610 14434 1 16 . 1 1 35 35 VAL N N 29 126.695 126.695 126.963 -0.268 17610 14435 1 16 . 1 1 35 35 VAL HA H 29 3.911 3.911 4.024 -0.113 17610 14436 1 16 . 1 1 35 35 VAL C C 29 173.764 173.764 175.596 -1.832 17610 14437 1 16 . 1 1 35 35 VAL CA C 29 61.275 61.275 64.034 -2.760 17610 14438 1 16 . 1 1 35 35 VAL CB C 29 33.154 33.154 32.822 0.332 17610 14439 1 16 . 1 1 35 35 VAL H H 29 7.537 7.537 7.991 -0.454 17610 14440 1 16 . 1 1 36 36 ASP N N 30 123.271 123.271 123.710 -0.439 17610 14441 1 16 . 1 1 36 36 ASP HA H 30 4.185 4.185 4.815 -0.630 17610 14442 1 16 . 1 1 36 36 ASP C C 30 176.129 176.129 175.261 0.868 17610 14443 1 16 . 1 1 36 36 ASP CA C 30 54.662 54.662 55.049 -0.387 17610 14444 1 16 . 1 1 36 36 ASP CB C 30 41.323 41.323 41.342 -0.019 17610 14445 1 16 . 1 1 36 36 ASP H H 30 7.618 7.618 8.936 -1.318 17610 14446 1 16 . 1 1 37 37 GLU N N 31 119.730 119.730 121.503 -1.773 17610 14447 1 16 . 1 1 37 37 GLU HA H 31 4.262 4.262 4.519 -0.257 17610 14448 1 16 . 1 1 37 37 GLU C C 31 174.901 174.901 176.017 -1.116 17610 14449 1 16 . 1 1 37 37 GLU CA C 31 56.137 56.137 55.503 0.634 17610 14450 1 16 . 1 1 37 37 GLU CB C 31 30.459 30.459 27.925 2.534 17610 14451 1 16 . 1 1 37 37 GLU H H 31 7.857 7.857 8.611 -0.754 17610 14452 1 16 . 1 1 38 38 TYR N N 32 123.296 123.296 118.915 4.381 17610 14453 1 16 . 1 1 38 38 TYR HA H 32 4.486 4.486 4.862 -0.376 17610 14454 1 16 . 1 1 38 38 TYR C C 32 174.370 174.370 174.834 -0.464 17610 14455 1 16 . 1 1 38 38 TYR CA C 32 57.511 57.511 56.443 1.068 17610 14456 1 16 . 1 1 38 38 TYR CB C 32 39.199 39.199 39.563 -0.364 17610 14457 1 16 . 1 1 38 38 TYR H H 32 8.244 8.244 7.469 0.775 17610 14458 1 16 . 1 1 39 39 ASP N N 33 127.452 127.452 120.849 6.603 17610 14459 1 16 . 1 1 39 39 ASP HA H 33 4.891 4.891 5.017 -0.126 17610 14460 1 16 . 1 1 39 39 ASP CA C 33 51.207 51.207 51.172 0.035 17610 14461 1 16 . 1 1 39 39 ASP CB C 33 41.837 41.837 42.423 -0.586 17610 14462 1 16 . 1 1 39 39 ASP H H 33 8.158 8.158 8.485 -0.327 17610 14463 1 16 . 1 1 40 40 PRO HA H 34 4.405 4.405 4.537 -0.132 17610 14464 1 16 . 1 1 40 40 PRO C C 34 176.938 176.938 176.594 0.344 17610 14465 1 16 . 1 1 40 40 PRO CA C 34 63.068 63.068 63.243 -0.175 17610 14466 1 16 . 1 1 40 40 PRO CB C 34 32.089 32.089 32.060 0.029 17610 14467 1 16 . 1 1 41 41 SER N N 35 117.575 117.575 117.556 0.019 17610 14468 1 16 . 1 1 41 41 SER HA H 35 4.433 4.433 4.196 0.237 17610 14469 1 16 . 1 1 41 41 SER C C 35 174.777 174.777 173.180 1.597 17610 14470 1 16 . 1 1 41 41 SER CA C 35 58.346 58.346 59.157 -0.811 17610 14471 1 16 . 1 1 41 41 SER CB C 35 63.704 63.704 63.196 0.508 17610 14472 1 16 . 1 1 41 41 SER H H 35 8.495 8.495 8.659 -0.164 17610 14473 1 16 . 1 1 42 42 ILE N N 36 123.018 123.018 121.419 1.599 17610 14474 1 16 . 1 1 42 42 ILE HA H 36 4.219 4.219 4.529 -0.310 17610 14475 1 16 . 1 1 42 42 ILE C C 36 175.966 175.966 173.854 2.112 17610 14476 1 16 . 1 1 42 42 ILE CA C 36 61.665 61.665 59.609 2.056 17610 14477 1 16 . 1 1 42 42 ILE CB C 36 38.745 38.745 40.794 -2.049 17610 14478 1 16 . 1 1 42 42 ILE H H 36 7.919 7.919 7.634 0.285 17610 14479 1 16 . 1 1 43 43 GLU N N 37 124.699 124.699 118.616 6.083 17610 14480 1 16 . 1 1 43 43 GLU HA H 37 4.381 4.381 4.465 -0.084 17610 14481 1 16 . 1 1 43 43 GLU C C 37 179.069 179.069 175.794 3.275 17610 14482 1 16 . 1 1 43 43 GLU CA C 37 56.223 56.223 56.003 0.220 17610 14483 1 16 . 1 1 43 43 GLU CB C 37 30.616 30.616 30.706 -0.090 17610 14484 1 16 . 1 1 43 43 GLU H H 37 8.201 8.201 8.479 -0.278 17610 14485 1 16 . 1 1 44 44 ASP N N 38 121.902 121.902 120.882 1.020 17610 14486 1 16 . 1 1 44 44 ASP HA H 38 4.622 4.622 4.507 0.115 17610 14487 1 16 . 1 1 44 44 ASP C C 38 174.634 174.634 175.528 -0.894 17610 14488 1 16 . 1 1 44 44 ASP CA C 38 54.095 54.095 53.805 0.290 17610 14489 1 16 . 1 1 44 44 ASP CB C 38 41.837 41.837 39.058 2.779 17610 14490 1 16 . 1 1 44 44 ASP H H 38 8.094 8.094 8.211 -0.117 17610 14491 1 16 . 1 1 45 45 SER N N 39 114.779 114.779 115.212 -0.433 17610 14492 1 16 . 1 1 45 45 SER HA H 39 4.923 4.923 3.698 1.225 17610 14493 1 16 . 1 1 45 45 SER C C 39 173.339 173.339 173.003 0.336 17610 14494 1 16 . 1 1 45 45 SER CA C 39 57.023 57.023 59.289 -2.266 17610 14495 1 16 . 1 1 45 45 SER CB C 39 64.751 64.751 63.902 0.849 17610 14496 1 16 . 1 1 45 45 SER H H 39 7.792 7.792 7.801 -0.009 17610 14497 1 16 . 1 1 46 46 TYR N N 40 124.235 124.235 116.794 7.441 17610 14498 1 16 . 1 1 46 46 TYR HA H 40 4.662 4.662 4.769 -0.107 17610 14499 1 16 . 1 1 46 46 TYR C C 40 173.910 173.910 173.771 0.139 17610 14500 1 16 . 1 1 46 46 TYR CA C 40 56.944 56.944 56.976 -0.032 17610 14501 1 16 . 1 1 46 46 TYR CB C 40 41.323 41.323 41.791 -0.468 17610 14502 1 16 . 1 1 46 46 TYR H H 40 8.976 8.976 8.160 0.816 17610 14503 1 16 . 1 1 47 47 ARG N N 41 121.906 121.906 117.801 4.105 17610 14504 1 16 . 1 1 47 47 ARG HA H 41 5.802 5.802 5.208 0.594 17610 14505 1 16 . 1 1 47 47 ARG C C 41 176.150 176.150 174.506 1.644 17610 14506 1 16 . 1 1 47 47 ARG CA C 41 54.129 54.129 54.453 -0.324 17610 14507 1 16 . 1 1 47 47 ARG CB C 41 34.105 34.105 34.251 -0.145 17610 14508 1 16 . 1 1 47 47 ARG H H 41 8.238 8.238 8.442 -0.204 17610 14509 1 16 . 1 1 48 48 LYS N N 42 123.924 123.924 119.058 4.866 17610 14510 1 16 . 1 1 48 48 LYS HA H 42 4.508 4.508 4.418 0.090 17610 14511 1 16 . 1 1 48 48 LYS C C 42 173.710 173.710 174.065 -0.355 17610 14512 1 16 . 1 1 48 48 LYS CA C 42 55.651 55.651 55.735 -0.084 17610 14513 1 16 . 1 1 48 48 LYS CB C 42 38.139 38.139 36.761 1.378 17610 14514 1 16 . 1 1 48 48 LYS H H 42 8.705 8.705 8.223 0.482 17610 14515 1 16 . 1 1 49 49 GLN N N 43 130.301 130.301 125.545 4.756 17610 14516 1 16 . 1 1 49 49 GLN HA H 43 5.230 5.230 4.534 0.696 17610 14517 1 16 . 1 1 49 49 GLN C C 43 175.254 175.254 175.006 0.248 17610 14518 1 16 . 1 1 49 49 GLN CA C 43 55.496 55.496 55.317 0.179 17610 14519 1 16 . 1 1 49 49 GLN CB C 43 29.892 29.892 29.634 0.258 17610 14520 1 16 . 1 1 49 49 GLN H H 43 8.897 8.897 8.547 0.350 17610 14521 1 16 . 1 1 50 50 VAL N N 44 122.354 122.354 121.309 1.045 17610 14522 1 16 . 1 1 50 50 VAL HA H 44 4.772 4.772 4.685 0.087 17610 14523 1 16 . 1 1 50 50 VAL C C 44 173.116 173.116 173.346 -0.230 17610 14524 1 16 . 1 1 50 50 VAL CA C 44 59.238 59.238 59.141 0.097 17610 14525 1 16 . 1 1 50 50 VAL CB C 44 35.888 35.888 35.810 0.078 17610 14526 1 16 . 1 1 50 50 VAL H H 44 9.104 9.104 8.862 0.242 17610 14527 1 16 . 1 1 51 51 VAL N N 45 122.385 122.385 120.415 1.970 17610 14528 1 16 . 1 1 51 51 VAL HA H 45 4.462 4.462 4.432 0.030 17610 14529 1 16 . 1 1 51 51 VAL C C 45 175.450 175.450 175.654 -0.204 17610 14530 1 16 . 1 1 51 51 VAL CA C 45 61.832 61.832 60.964 0.869 17610 14531 1 16 . 1 1 51 51 VAL CB C 45 32.228 32.228 31.989 0.239 17610 14532 1 16 . 1 1 51 51 VAL H H 45 8.100 8.100 8.403 -0.303 17610 14533 1 16 . 1 1 52 52 ILE N N 46 126.953 126.953 129.206 -2.253 17610 14534 1 16 . 1 1 52 52 ILE HA H 46 3.995 3.995 3.862 0.133 17610 14535 1 16 . 1 1 52 52 ILE C C 46 176.424 176.424 176.283 0.141 17610 14536 1 16 . 1 1 52 52 ILE CA C 46 60.343 60.343 60.801 -0.458 17610 14537 1 16 . 1 1 52 52 ILE CB C 46 40.096 40.096 35.884 4.212 17610 14538 1 16 . 1 1 52 52 ILE H H 46 8.118 8.118 8.361 -0.243 17610 14539 1 16 . 1 1 53 53 ASP N N 47 132.206 132.206 127.379 4.827 17610 14540 1 16 . 1 1 53 53 ASP HA H 47 4.267 4.267 4.302 -0.035 17610 14541 1 16 . 1 1 53 53 ASP C C 47 176.121 176.121 175.855 0.266 17610 14542 1 16 . 1 1 53 53 ASP CA C 47 55.267 55.267 54.933 0.334 17610 14543 1 16 . 1 1 53 53 ASP CB C 47 39.203 39.203 39.247 -0.044 17610 14544 1 16 . 1 1 53 53 ASP H H 47 9.605 9.605 8.734 0.871 17610 14545 1 16 . 1 1 54 54 GLY N N 48 104.275 104.275 104.928 -0.653 17610 14546 1 16 . 1 1 54 54 GLY C C 48 173.219 173.219 173.326 -0.107 17610 14547 1 16 . 1 1 54 54 GLY CA C 48 45.318 45.318 45.356 -0.038 17610 14548 1 16 . 1 1 54 54 GLY H H 48 8.332 8.332 7.890 0.442 17610 14549 1 16 . 1 1 55 55 GLU N N 49 123.384 123.384 119.910 3.474 17610 14550 1 16 . 1 1 55 55 GLU HA H 49 4.691 4.691 4.592 0.099 17610 14551 1 16 . 1 1 55 55 GLU C C 49 175.614 175.614 175.346 0.268 17610 14552 1 16 . 1 1 55 55 GLU CA C 49 54.719 54.719 54.022 0.697 17610 14553 1 16 . 1 1 55 55 GLU CB C 49 31.803 31.803 31.015 0.788 17610 14554 1 16 . 1 1 55 55 GLU H H 49 7.684 7.684 8.120 -0.436 17610 14555 1 16 . 1 1 56 56 THR N N 50 127.153 127.153 123.663 3.490 17610 14556 1 16 . 1 1 56 56 THR HA H 50 4.727 4.727 4.466 0.261 17610 14557 1 16 . 1 1 56 56 THR C C 50 173.530 173.530 174.125 -0.595 17610 14558 1 16 . 1 1 56 56 THR CA C 50 63.521 63.521 64.772 -1.252 17610 14559 1 16 . 1 1 56 56 THR CB C 50 68.478 68.478 68.866 -0.388 17610 14560 1 16 . 1 1 56 56 THR H H 50 8.951 8.951 8.726 0.225 17610 14561 1 16 . 1 1 57 57 CYS N N 51 124.835 124.835 124.573 0.262 17610 14562 1 16 . 1 1 57 57 CYS HA H 51 5.086 5.086 4.715 0.371 17610 14563 1 16 . 1 1 57 57 CYS C C 51 170.937 170.937 173.032 -2.095 17610 14564 1 16 . 1 1 57 57 CYS CA C 51 56.423 56.423 58.312 -1.889 17610 14565 1 16 . 1 1 57 57 CYS CB C 51 31.549 31.549 31.648 -0.099 17610 14566 1 16 . 1 1 57 57 CYS H H 51 9.424 9.424 9.211 0.213 17610 14567 1 16 . 1 1 58 58 LEU N N 52 123.111 123.111 122.781 0.330 17610 14568 1 16 . 1 1 58 58 LEU HA H 52 4.943 4.943 4.850 0.093 17610 14569 1 16 . 1 1 58 58 LEU C C 52 175.044 175.044 176.400 -1.356 17610 14570 1 16 . 1 1 58 58 LEU CA C 52 53.372 53.372 54.508 -1.136 17610 14571 1 16 . 1 1 58 58 LEU CB C 52 44.304 44.304 43.115 1.189 17610 14572 1 16 . 1 1 58 58 LEU H H 52 8.803 8.803 8.726 0.077 17610 14573 1 16 . 1 1 59 59 LEU N N 53 124.540 124.540 124.345 0.195 17610 14574 1 16 . 1 1 59 59 LEU HA H 53 4.888 4.888 4.612 0.276 17610 14575 1 16 . 1 1 59 59 LEU C C 53 174.358 174.358 175.356 -0.998 17610 14576 1 16 . 1 1 59 59 LEU CA C 53 53.490 53.490 53.835 -0.345 17610 14577 1 16 . 1 1 59 59 LEU CB C 53 42.195 42.195 43.482 -1.287 17610 14578 1 16 . 1 1 59 59 LEU H H 53 9.054 9.054 9.032 0.022 17610 14579 1 16 . 1 1 60 60 ASP N N 54 126.666 126.666 124.869 1.797 17610 14580 1 16 . 1 1 60 60 ASP HA H 54 5.225 5.225 4.809 0.416 17610 14581 1 16 . 1 1 60 60 ASP C C 54 174.846 174.846 175.536 -0.690 17610 14582 1 16 . 1 1 60 60 ASP CA C 54 53.040 53.040 54.566 -1.526 17610 14583 1 16 . 1 1 60 60 ASP CB C 54 42.622 42.622 40.767 1.855 17610 14584 1 16 . 1 1 60 60 ASP H H 54 8.739 8.739 8.149 0.590 17610 14585 1 16 . 1 1 61 61 ILE N N 55 125.100 125.100 124.223 0.877 17610 14586 1 16 . 1 1 61 61 ILE HA H 55 4.690 4.690 4.084 0.606 17610 14587 1 16 . 1 1 61 61 ILE C C 55 174.745 174.745 174.926 -0.181 17610 14588 1 16 . 1 1 61 61 ILE CA C 55 60.331 60.331 59.451 0.880 17610 14589 1 16 . 1 1 61 61 ILE CB C 55 39.682 39.682 36.680 3.002 17610 14590 1 16 . 1 1 61 61 ILE H H 55 9.115 9.115 8.060 1.055 17610 14591 1 16 . 1 1 62 62 LEU N N 56 131.208 131.208 129.118 2.090 17610 14592 1 16 . 1 1 62 62 LEU HA H 56 4.667 4.667 4.530 0.137 17610 14593 1 16 . 1 1 62 62 LEU C C 56 174.063 174.063 174.411 -0.348 17610 14594 1 16 . 1 1 62 62 LEU CA C 56 53.795 53.795 54.002 -0.207 17610 14595 1 16 . 1 1 62 62 LEU CB C 56 42.256 42.256 43.846 -1.590 17610 14596 1 16 . 1 1 62 62 LEU H H 56 9.014 9.014 8.473 0.541 17610 14597 1 16 . 1 1 63 63 ASP N N 57 128.415 128.415 127.755 0.660 17610 14598 1 16 . 1 1 63 63 ASP HA H 57 4.783 4.783 4.854 -0.071 17610 14599 1 16 . 1 1 63 63 ASP C C 57 176.341 176.341 176.131 0.210 17610 14600 1 16 . 1 1 63 63 ASP CA C 57 52.988 52.988 52.531 0.457 17610 14601 1 16 . 1 1 63 63 ASP CB C 57 41.837 41.837 42.419 -0.582 17610 14602 1 16 . 1 1 63 63 ASP H H 57 8.657 8.657 8.578 0.079 17610 14603 1 16 . 1 1 64 64 THR N N 58 114.950 114.950 118.586 -3.636 17610 14604 1 16 . 1 1 64 64 THR HA H 58 4.425 4.425 4.507 -0.082 17610 14605 1 16 . 1 1 64 64 THR C C 58 172.734 172.734 174.622 -1.888 17610 14606 1 16 . 1 1 64 64 THR CA C 58 61.488 61.488 61.336 0.152 17610 14607 1 16 . 1 1 64 64 THR CB C 58 71.398 71.398 70.174 1.224 17610 14608 1 16 . 1 1 64 64 THR H H 58 7.369 7.369 7.567 -0.198 17610 14609 1 16 . 1 1 65 65 ALA N N 59 123.940 123.940 121.100 2.840 17610 14610 1 16 . 1 1 65 65 ALA HA H 59 4.764 4.764 4.314 0.450 17610 14611 1 16 . 1 1 65 65 ALA C C 59 179.480 179.480 179.526 -0.046 17610 14612 1 16 . 1 1 65 65 ALA CA C 59 51.422 51.422 52.445 -1.023 17610 14613 1 16 . 1 1 65 65 ALA CB C 59 20.796 20.796 19.598 1.198 17610 14614 1 16 . 1 1 65 65 ALA H H 59 8.329 8.329 8.547 -0.218 17610 14615 1 16 . 1 1 66 66 GLY N N 60 112.527 112.527 108.933 3.594 17610 14616 1 16 . 1 1 66 66 GLY C C 60 174.938 174.938 175.472 -0.534 17610 14617 1 16 . 1 1 66 66 GLY CA C 60 46.057 46.057 47.158 -1.101 17610 14618 1 16 . 1 1 66 66 GLY H H 60 9.397 9.397 8.877 0.520 17610 14619 1 16 . 1 1 67 67 GLN N N 61 120.877 120.877 120.617 0.260 17610 14620 1 16 . 1 1 67 67 GLN HA H 61 4.422 4.422 4.666 -0.244 17610 14621 1 16 . 1 1 67 67 GLN C C 61 176.298 176.298 175.853 0.445 17610 14622 1 16 . 1 1 67 67 GLN CA C 61 56.355 56.355 55.103 1.252 17610 14623 1 16 . 1 1 67 67 GLN CB C 61 29.438 29.438 28.060 1.378 17610 14624 1 16 . 1 1 67 67 GLN H H 61 8.237 8.237 8.515 -0.278 17610 14625 1 16 . 1 1 68 68 GLU N N 62 123.751 123.751 119.661 4.090 17610 14626 1 16 . 1 1 68 68 GLU HA H 62 4.208 4.208 3.924 0.284 17610 14627 1 16 . 1 1 68 68 GLU C C 62 177.032 177.032 176.040 0.992 17610 14628 1 16 . 1 1 68 68 GLU CA C 62 57.801 57.801 59.403 -1.602 17610 14629 1 16 . 1 1 68 68 GLU CB C 62 29.834 29.834 28.851 0.983 17610 14630 1 16 . 1 1 68 68 GLU H H 62 8.738 8.738 7.870 0.868 17610 14631 1 16 . 1 1 69 69 GLU N N 63 121.861 121.861 116.321 5.540 17610 14632 1 16 . 1 1 69 69 GLU HA H 63 4.228 4.228 3.976 0.252 17610 14633 1 16 . 1 1 69 69 GLU C C 63 176.145 176.145 175.451 0.694 17610 14634 1 16 . 1 1 69 69 GLU CA C 63 57.026 57.026 57.691 -0.664 17610 14635 1 16 . 1 1 69 69 GLU CB C 63 30.231 30.231 27.980 2.251 17610 14636 1 16 . 1 1 69 69 GLU H H 63 8.607 8.607 8.419 0.188 17610 14637 1 16 . 1 1 70 70 TYR N N 64 121.801 121.801 118.058 3.743 17610 14638 1 16 . 1 1 70 70 TYR HA H 64 4.587 4.587 4.579 0.008 17610 14639 1 16 . 1 1 70 70 TYR C C 64 175.965 175.965 175.070 0.895 17610 14640 1 16 . 1 1 70 70 TYR CA C 64 58.160 58.160 57.327 0.833 17610 14641 1 16 . 1 1 70 70 TYR CB C 64 38.288 38.288 39.249 -0.961 17610 14642 1 16 . 1 1 70 70 TYR H H 64 8.225 8.225 7.971 0.254 17610 14643 1 16 . 1 1 71 71 SER N N 65 120.137 120.137 119.649 0.488 17610 14644 1 16 . 1 1 71 71 SER HA H 65 4.269 4.269 4.255 0.014 17610 14645 1 16 . 1 1 71 71 SER C C 65 174.912 174.912 176.090 -1.178 17610 14646 1 16 . 1 1 71 71 SER CA C 65 58.755 58.755 60.076 -1.321 17610 14647 1 16 . 1 1 71 71 SER CB C 65 63.755 63.755 63.303 0.452 17610 14648 1 16 . 1 1 71 71 SER H H 65 7.884 7.884 8.509 -0.625 17610 14649 1 16 . 1 1 72 72 ALA N N 66 127.848 127.848 125.084 2.764 17610 14650 1 16 . 1 1 72 72 ALA HA H 66 4.193 4.193 4.080 0.113 17610 14651 1 16 . 1 1 72 72 ALA C C 66 179.820 179.820 179.365 0.455 17610 14652 1 16 . 1 1 72 72 ALA CA C 66 54.595 54.595 54.825 -0.230 17610 14653 1 16 . 1 1 72 72 ALA CB C 66 18.264 18.264 18.430 -0.166 17610 14654 1 16 . 1 1 72 72 ALA H H 66 8.706 8.706 8.637 0.069 17610 14655 1 16 . 1 1 73 73 MET N N 67 118.448 118.448 116.437 2.011 17610 14656 1 16 . 1 1 73 73 MET HA H 67 4.271 4.271 3.959 0.312 17610 14657 1 16 . 1 1 73 73 MET C C 67 177.098 177.098 178.187 -1.089 17610 14658 1 16 . 1 1 73 73 MET CA C 67 56.915 56.915 56.682 0.233 17610 14659 1 16 . 1 1 73 73 MET CB C 67 32.031 32.031 30.786 1.245 17610 14660 1 16 . 1 1 73 73 MET H H 67 8.007 8.007 7.832 0.175 17610 14661 1 16 . 1 1 74 74 ARG N N 68 121.351 121.351 120.573 0.778 17610 14662 1 16 . 1 1 74 74 ARG HA H 68 3.793 3.793 4.067 -0.274 17610 14663 1 16 . 1 1 74 74 ARG C C 68 177.730 177.730 178.628 -0.898 17610 14664 1 16 . 1 1 74 74 ARG CA C 68 59.093 59.093 59.797 -0.704 17610 14665 1 16 . 1 1 74 74 ARG CB C 68 30.118 30.118 29.706 0.412 17610 14666 1 16 . 1 1 74 74 ARG H H 68 7.761 7.761 7.559 0.202 17610 14667 1 16 . 1 1 75 75 ASP N N 69 119.938 119.938 117.312 2.626 17610 14668 1 16 . 1 1 75 75 ASP HA H 69 4.286 4.286 4.540 -0.254 17610 14669 1 16 . 1 1 75 75 ASP C C 69 177.998 177.998 178.484 -0.486 17610 14670 1 16 . 1 1 75 75 ASP CA C 69 57.555 57.555 57.230 0.325 17610 14671 1 16 . 1 1 75 75 ASP CB C 69 40.401 40.401 40.158 0.243 17610 14672 1 16 . 1 1 75 75 ASP H H 69 8.077 8.077 7.895 0.182 17610 14673 1 16 . 1 1 76 76 GLN N N 70 119.151 119.151 120.369 -1.218 17610 14674 1 16 . 1 1 76 76 GLN HA H 70 4.050 4.050 4.094 -0.044 17610 14675 1 16 . 1 1 76 76 GLN C C 70 178.837 178.837 177.904 0.933 17610 14676 1 16 . 1 1 76 76 GLN CA C 70 58.920 58.920 58.066 0.854 17610 14677 1 16 . 1 1 76 76 GLN CB C 70 28.063 28.063 27.962 0.101 17610 14678 1 16 . 1 1 76 76 GLN H H 70 7.789 7.789 7.232 0.557 17610 14679 1 16 . 1 1 77 77 TYR N N 71 119.847 119.847 118.518 1.329 17610 14680 1 16 . 1 1 77 77 TYR HA H 71 4.548 4.548 4.541 0.007 17610 14681 1 16 . 1 1 77 77 TYR C C 71 178.680 178.680 178.492 0.188 17610 14682 1 16 . 1 1 77 77 TYR CA C 71 58.785 58.785 59.116 -0.331 17610 14683 1 16 . 1 1 77 77 TYR CB C 71 36.986 36.986 38.115 -1.129 17610 14684 1 16 . 1 1 77 77 TYR H H 71 8.131 8.131 7.810 0.321 17610 14685 1 16 . 1 1 78 78 MET N N 72 119.987 119.987 117.925 2.062 17610 14686 1 16 . 1 1 78 78 MET HA H 72 4.402 4.402 4.230 0.172 17610 14687 1 16 . 1 1 78 78 MET C C 72 177.008 177.008 178.829 -1.821 17610 14688 1 16 . 1 1 78 78 MET CA C 72 59.028 59.028 60.089 -1.061 17610 14689 1 16 . 1 1 78 78 MET CB C 72 32.709 32.709 32.390 0.319 17610 14690 1 16 . 1 1 78 78 MET H H 72 8.380 8.380 8.644 -0.264 17610 14691 1 16 . 1 1 79 79 ARG N N 73 117.792 117.792 115.130 2.662 17610 14692 1 16 . 1 1 79 79 ARG HA H 73 3.914 3.914 4.192 -0.278 17610 14693 1 16 . 1 1 79 79 ARG C C 73 178.169 178.169 177.568 0.601 17610 14694 1 16 . 1 1 79 79 ARG CA C 73 59.493 59.493 58.565 0.928 17610 14695 1 16 . 1 1 79 79 ARG CB C 73 30.100 30.100 30.311 -0.210 17610 14696 1 16 . 1 1 79 79 ARG H H 73 7.992 7.992 7.781 0.211 17610 14697 1 16 . 1 1 80 80 THR N N 74 110.012 110.012 108.036 1.976 17610 14698 1 16 . 1 1 80 80 THR HA H 74 4.242 4.242 4.414 -0.172 17610 14699 1 16 . 1 1 80 80 THR C C 74 175.640 175.640 174.854 0.786 17610 14700 1 16 . 1 1 80 80 THR CA C 74 62.863 62.863 61.678 1.185 17610 14701 1 16 . 1 1 80 80 THR CB C 74 69.808 69.808 70.247 -0.439 17610 14702 1 16 . 1 1 80 80 THR H H 74 7.718 7.718 7.655 0.063 17610 14703 1 16 . 1 1 81 81 GLY N N 75 109.297 109.297 109.560 -0.263 17610 14704 1 16 . 1 1 81 81 GLY C C 75 172.419 172.419 173.860 -1.441 17610 14705 1 16 . 1 1 81 81 GLY CA C 75 46.504 46.504 44.133 2.371 17610 14706 1 16 . 1 1 81 81 GLY H H 75 7.852 7.852 7.630 0.222 17610 14707 1 16 . 1 1 82 82 GLU N N 76 122.399 122.399 120.839 1.560 17610 14708 1 16 . 1 1 82 82 GLU HA H 76 4.523 4.523 4.402 0.121 17610 14709 1 16 . 1 1 82 82 GLU C C 76 176.409 176.409 175.102 1.307 17610 14710 1 16 . 1 1 82 82 GLU CA C 76 56.469 56.469 56.384 0.085 17610 14711 1 16 . 1 1 82 82 GLU CB C 76 32.049 32.049 31.099 0.950 17610 14712 1 16 . 1 1 82 82 GLU H H 76 8.879 8.879 7.801 1.078 17610 14713 1 16 . 1 1 83 83 GLY N N 77 102.282 102.282 105.919 -3.637 17610 14714 1 16 . 1 1 83 83 GLY C C 77 170.803 170.803 171.321 -0.518 17610 14715 1 16 . 1 1 83 83 GLY CA C 77 45.453 45.453 45.384 0.069 17610 14716 1 16 . 1 1 83 83 GLY H H 77 7.192 7.192 7.073 0.119 17610 14717 1 16 . 1 1 84 84 PHE N N 78 122.648 122.648 120.355 2.293 17610 14718 1 16 . 1 1 84 84 PHE HA H 78 5.448 5.448 5.624 -0.176 17610 14719 1 16 . 1 1 84 84 PHE C C 78 173.734 173.734 174.552 -0.818 17610 14720 1 16 . 1 1 84 84 PHE CA C 78 57.065 57.065 55.818 1.247 17610 14721 1 16 . 1 1 84 84 PHE CB C 78 42.997 42.997 43.245 -0.248 17610 14722 1 16 . 1 1 84 84 PHE H H 78 8.224 8.224 8.383 -0.159 17610 14723 1 16 . 1 1 85 85 LEU N N 79 127.298 127.298 121.919 5.379 17610 14724 1 16 . 1 1 85 85 LEU HA H 79 4.690 4.690 4.743 -0.053 17610 14725 1 16 . 1 1 85 85 LEU C C 79 174.690 174.690 175.132 -0.442 17610 14726 1 16 . 1 1 85 85 LEU CA C 79 53.981 53.981 54.019 -0.038 17610 14727 1 16 . 1 1 85 85 LEU CB C 79 43.058 43.058 45.544 -2.486 17610 14728 1 16 . 1 1 85 85 LEU H H 79 9.189 9.189 8.734 0.455 17610 14729 1 16 . 1 1 86 86 CYS N N 80 125.581 125.581 126.912 -1.331 17610 14730 1 16 . 1 1 86 86 CYS HA H 80 4.689 4.689 4.527 0.162 17610 14731 1 16 . 1 1 86 86 CYS C C 80 172.664 172.664 173.643 -0.979 17610 14732 1 16 . 1 1 86 86 CYS CA C 80 57.767 57.767 58.548 -0.781 17610 14733 1 16 . 1 1 86 86 CYS CB C 80 27.397 27.397 27.711 -0.314 17610 14734 1 16 . 1 1 86 86 CYS H H 80 8.720 8.720 9.185 -0.465 17610 14735 1 16 . 1 1 87 87 VAL N N 81 127.252 127.252 126.634 0.618 17610 14736 1 16 . 1 1 87 87 VAL HA H 81 4.983 4.983 4.626 0.357 17610 14737 1 16 . 1 1 87 87 VAL C C 81 175.119 175.119 175.105 0.014 17610 14738 1 16 . 1 1 87 87 VAL CA C 81 61.275 61.275 61.862 -0.587 17610 14739 1 16 . 1 1 87 87 VAL CB C 81 33.407 33.407 32.712 0.695 17610 14740 1 16 . 1 1 87 87 VAL H H 81 9.028 9.028 8.492 0.536 17610 14741 1 16 . 1 1 88 88 PHE N N 82 125.157 125.157 125.153 0.004 17610 14742 1 16 . 1 1 88 88 PHE HA H 82 4.992 4.992 5.029 -0.037 17610 14743 1 16 . 1 1 88 88 PHE C C 82 171.162 171.162 172.971 -1.809 17610 14744 1 16 . 1 1 88 88 PHE CA C 82 55.349 55.349 55.025 0.324 17610 14745 1 16 . 1 1 88 88 PHE CB C 82 40.430 40.430 42.489 -2.059 17610 14746 1 16 . 1 1 88 88 PHE H H 82 9.306 9.306 8.415 0.891 17610 14747 1 16 . 1 1 89 89 ALA N N 83 122.321 122.321 125.534 -3.213 17610 14748 1 16 . 1 1 89 89 ALA HA H 83 5.082 5.082 4.509 0.573 17610 14749 1 16 . 1 1 89 89 ALA C C 83 179.267 179.267 178.655 0.612 17610 14750 1 16 . 1 1 89 89 ALA CA C 83 49.635 49.635 49.459 0.176 17610 14751 1 16 . 1 1 89 89 ALA CB C 83 21.739 21.739 19.835 1.904 17610 14752 1 16 . 1 1 89 89 ALA H H 83 8.692 8.692 7.864 0.828 17610 14753 1 16 . 1 1 90 90 ILE N N 84 114.459 114.459 120.773 -6.314 17610 14754 1 16 . 1 1 90 90 ILE HA H 84 4.054 4.054 3.463 0.591 17610 14755 1 16 . 1 1 90 90 ILE C C 84 174.164 174.164 176.864 -2.700 17610 14756 1 16 . 1 1 90 90 ILE CA C 84 63.169 63.169 64.302 -1.133 17610 14757 1 16 . 1 1 90 90 ILE CB C 84 38.174 38.174 37.445 0.729 17610 14758 1 16 . 1 1 90 90 ILE H H 84 8.461 8.461 7.561 0.900 17610 14759 1 16 . 1 1 91 91 ASN N N 85 118.240 118.240 118.154 0.086 17610 14760 1 16 . 1 1 91 91 ASN HA H 85 5.049 5.049 4.611 0.438 17610 14761 1 16 . 1 1 91 91 ASN C C 85 174.583 174.583 174.597 -0.014 17610 14762 1 16 . 1 1 91 91 ASN CA C 85 52.161 52.161 54.138 -1.976 17610 14763 1 16 . 1 1 91 91 ASN CB C 85 38.132 38.132 38.711 -0.579 17610 14764 1 16 . 1 1 91 91 ASN H H 85 7.906 7.906 8.476 -0.570 17610 14765 1 16 . 1 1 92 92 ASN N N 86 120.345 120.345 117.742 2.603 17610 14766 1 16 . 1 1 92 92 ASN HA H 86 5.080 5.080 4.966 0.114 17610 14767 1 16 . 1 1 92 92 ASN C C 86 175.090 175.090 175.500 -0.410 17610 14768 1 16 . 1 1 92 92 ASN CA C 86 52.041 52.041 52.255 -0.214 17610 14769 1 16 . 1 1 92 92 ASN CB C 86 39.203 39.203 39.577 -0.374 17610 14770 1 16 . 1 1 92 92 ASN H H 86 7.931 7.931 7.709 0.222 17610 14771 1 16 . 1 1 93 93 THR N N 87 125.665 125.665 120.981 4.684 17610 14772 1 16 . 1 1 93 93 THR HA H 87 3.772 3.772 4.209 -0.437 17610 14773 1 16 . 1 1 93 93 THR C C 87 176.012 176.012 175.966 0.046 17610 14774 1 16 . 1 1 93 93 THR CA C 87 66.753 66.753 66.439 0.314 17610 14775 1 16 . 1 1 93 93 THR CB C 87 68.400 68.400 69.163 -0.763 17610 14776 1 16 . 1 1 93 93 THR H H 87 9.272 9.272 8.766 0.506 17610 14777 1 16 . 1 1 94 94 LYS N N 88 125.404 125.404 120.786 4.618 17610 14778 1 16 . 1 1 94 94 LYS HA H 88 4.186 4.186 4.000 0.186 17610 14779 1 16 . 1 1 94 94 LYS C C 88 178.027 178.027 178.300 -0.273 17610 14780 1 16 . 1 1 94 94 LYS CA C 88 59.359 59.359 59.779 -0.420 17610 14781 1 16 . 1 1 94 94 LYS CB C 88 31.292 31.292 32.018 -0.726 17610 14782 1 16 . 1 1 94 94 LYS H H 88 8.456 8.456 8.537 -0.081 17610 14783 1 16 . 1 1 95 95 SER N N 89 115.491 115.491 115.484 0.007 17610 14784 1 16 . 1 1 95 95 SER HA H 89 4.188 4.188 4.514 -0.326 17610 14785 1 16 . 1 1 95 95 SER C C 89 175.751 175.751 176.379 -0.628 17610 14786 1 16 . 1 1 95 95 SER CA C 89 61.751 61.751 61.706 0.045 17610 14787 1 16 . 1 1 95 95 SER CB C 89 63.530 63.530 63.305 0.225 17610 14788 1 16 . 1 1 95 95 SER H H 89 7.970 7.970 7.686 0.284 17610 14789 1 16 . 1 1 96 96 PHE N N 90 125.899 125.899 122.395 3.504 17610 14790 1 16 . 1 1 96 96 PHE HA H 90 4.037 4.037 4.090 -0.053 17610 14791 1 16 . 1 1 96 96 PHE C C 90 177.267 177.267 176.921 0.346 17610 14792 1 16 . 1 1 96 96 PHE CA C 90 59.688 59.688 60.665 -0.977 17610 14793 1 16 . 1 1 96 96 PHE CB C 90 40.175 40.175 39.035 1.140 17610 14794 1 16 . 1 1 96 96 PHE H H 90 7.419 7.419 8.032 -0.613 17610 14795 1 16 . 1 1 97 97 GLU N N 91 122.834 122.834 117.949 4.885 17610 14796 1 16 . 1 1 97 97 GLU HA H 91 3.787 3.787 3.758 0.029 17610 14797 1 16 . 1 1 97 97 GLU C C 91 179.628 179.628 178.685 0.943 17610 14798 1 16 . 1 1 97 97 GLU CA C 91 59.004 59.004 59.349 -0.345 17610 14799 1 16 . 1 1 97 97 GLU CB C 91 29.261 29.261 29.261 -0.000 17610 14800 1 16 . 1 1 97 97 GLU H H 91 8.449 8.449 7.709 0.740 17610 14801 1 16 . 1 1 98 98 ASP N N 92 118.617 118.617 120.546 -1.929 17610 14802 1 16 . 1 1 98 98 ASP HA H 92 4.553 4.553 4.470 0.083 17610 14803 1 16 . 1 1 98 98 ASP C C 92 177.582 177.582 178.754 -1.172 17610 14804 1 16 . 1 1 98 98 ASP CA C 92 56.171 56.171 57.005 -0.834 17610 14805 1 16 . 1 1 98 98 ASP CB C 92 41.184 41.184 40.712 0.472 17610 14806 1 16 . 1 1 98 98 ASP H H 92 8.492 8.492 7.778 0.714 17610 14807 1 16 . 1 1 99 99 ILE N N 93 121.939 121.939 118.395 3.544 17610 14808 1 16 . 1 1 99 99 ILE HA H 93 3.954 3.954 4.023 -0.069 17610 14809 1 16 . 1 1 99 99 ILE C C 93 177.442 177.442 177.388 0.054 17610 14810 1 16 . 1 1 99 99 ILE CA C 93 62.370 62.370 63.439 -1.069 17610 14811 1 16 . 1 1 99 99 ILE CB C 93 34.570 34.570 37.031 -2.461 17610 14812 1 16 . 1 1 99 99 ILE H H 93 7.583 7.583 8.456 -0.873 17610 14813 1 16 . 1 1 100 100 HIS N N 94 118.387 118.387 119.098 -0.711 17610 14814 1 16 . 1 1 100 100 HIS HA H 94 4.273 4.273 4.428 -0.155 17610 14815 1 16 . 1 1 100 100 HIS C C 94 177.345 177.345 177.063 0.282 17610 14816 1 16 . 1 1 100 100 HIS CA C 94 60.090 60.090 59.461 0.629 17610 14817 1 16 . 1 1 100 100 HIS CB C 94 30.512 30.512 30.140 0.371 17610 14818 1 16 . 1 1 100 100 HIS H H 94 7.799 7.799 7.497 0.302 17610 14819 1 16 . 1 1 101 101 GLN N N 95 117.673 117.673 118.554 -0.881 17610 14820 1 16 . 1 1 101 101 GLN HA H 95 3.941 3.941 3.780 0.161 17610 14821 1 16 . 1 1 101 101 GLN C C 95 179.155 179.155 178.128 1.027 17610 14822 1 16 . 1 1 101 101 GLN CA C 95 58.371 58.371 58.113 0.258 17610 14823 1 16 . 1 1 101 101 GLN CB C 95 27.807 27.807 27.633 0.174 17610 14824 1 16 . 1 1 101 101 GLN H H 95 7.468 7.468 7.593 -0.125 17610 14825 1 16 . 1 1 102 102 TYR N N 96 120.407 120.407 120.524 -0.117 17610 14826 1 16 . 1 1 102 102 TYR HA H 96 4.064 4.064 4.041 0.023 17610 14827 1 16 . 1 1 102 102 TYR C C 96 177.660 177.660 178.235 -0.575 17610 14828 1 16 . 1 1 102 102 TYR CA C 96 62.847 62.847 61.247 1.600 17610 14829 1 16 . 1 1 102 102 TYR CB C 96 37.795 37.795 38.167 -0.372 17610 14830 1 16 . 1 1 102 102 TYR H H 96 7.600 7.600 8.463 -0.863 17610 14831 1 16 . 1 1 103 103 ARG N N 97 119.974 119.974 119.213 0.761 17610 14832 1 16 . 1 1 103 103 ARG HA H 97 3.616 3.616 3.917 -0.301 17610 14833 1 16 . 1 1 103 103 ARG C C 97 177.618 177.618 177.712 -0.094 17610 14834 1 16 . 1 1 103 103 ARG CA C 97 59.938 59.938 59.580 0.358 17610 14835 1 16 . 1 1 103 103 ARG CB C 97 28.599 28.599 29.690 -1.091 17610 14836 1 16 . 1 1 103 103 ARG H H 97 8.395 8.395 8.046 0.349 17610 14837 1 16 . 1 1 104 104 GLU N N 98 118.351 118.351 117.373 0.978 17610 14838 1 16 . 1 1 104 104 GLU HA H 98 3.781 3.781 3.882 -0.101 17610 14839 1 16 . 1 1 104 104 GLU C C 98 178.982 178.982 178.345 0.637 17610 14840 1 16 . 1 1 104 104 GLU CA C 98 58.900 58.900 58.968 -0.068 17610 14841 1 16 . 1 1 104 104 GLU CB C 98 29.435 29.435 29.074 0.361 17610 14842 1 16 . 1 1 104 104 GLU H H 98 7.970 7.970 7.631 0.339 17610 14843 1 16 . 1 1 105 105 GLN N N 99 121.350 121.350 119.693 1.657 17610 14844 1 16 . 1 1 105 105 GLN HA H 99 3.946 3.946 4.136 -0.190 17610 14845 1 16 . 1 1 105 105 GLN C C 99 177.701 177.701 177.859 -0.158 17610 14846 1 16 . 1 1 105 105 GLN CA C 99 59.037 59.037 58.458 0.579 17610 14847 1 16 . 1 1 105 105 GLN CB C 99 27.938 27.938 28.725 -0.787 17610 14848 1 16 . 1 1 105 105 GLN H H 99 7.907 7.907 7.621 0.286 17610 14849 1 16 . 1 1 106 106 ILE N N 100 121.310 121.310 121.320 -0.010 17610 14850 1 16 . 1 1 106 106 ILE HA H 100 3.177 3.177 3.416 -0.239 17610 14851 1 16 . 1 1 106 106 ILE C C 100 177.199 177.199 178.187 -0.988 17610 14852 1 16 . 1 1 106 106 ILE CA C 100 65.682 65.682 65.067 0.615 17610 14853 1 16 . 1 1 106 106 ILE CB C 100 37.874 37.874 37.324 0.550 17610 14854 1 16 . 1 1 106 106 ILE H H 100 7.920 7.920 7.400 0.520 17610 14855 1 16 . 1 1 107 107 LYS N N 101 118.584 118.584 119.616 -1.032 17610 14856 1 16 . 1 1 107 107 LYS HA H 101 3.951 3.951 4.175 -0.224 17610 14857 1 16 . 1 1 107 107 LYS C C 101 179.476 179.476 179.119 0.357 17610 14858 1 16 . 1 1 107 107 LYS CA C 101 59.571 59.571 59.016 0.555 17610 14859 1 16 . 1 1 107 107 LYS CB C 101 32.227 32.227 31.737 0.490 17610 14860 1 16 . 1 1 107 107 LYS H H 101 7.782 7.782 7.629 0.153 17610 14861 1 16 . 1 1 108 108 ARG N N 102 119.152 119.152 118.604 0.548 17610 14862 1 16 . 1 1 108 108 ARG HA H 102 4.082 4.082 3.966 0.116 17610 14863 1 16 . 1 1 108 108 ARG C C 102 179.582 179.582 178.223 1.359 17610 14864 1 16 . 1 1 108 108 ARG CA C 102 58.946 58.946 59.207 -0.261 17610 14865 1 16 . 1 1 108 108 ARG CB C 102 30.097 30.097 29.943 0.154 17610 14866 1 16 . 1 1 108 108 ARG H H 102 7.777 7.777 7.381 0.396 17610 14867 1 16 . 1 1 109 109 VAL N N 103 119.544 119.544 119.157 0.387 17610 14868 1 16 . 1 1 109 109 VAL HA H 103 3.837 3.837 3.750 0.087 17610 14869 1 16 . 1 1 109 109 VAL C C 103 177.919 177.919 177.757 0.162 17610 14870 1 16 . 1 1 109 109 VAL CA C 103 65.393 65.393 65.198 0.195 17610 14871 1 16 . 1 1 109 109 VAL CB C 103 31.599 31.599 31.549 0.050 17610 14872 1 16 . 1 1 109 109 VAL H H 103 8.282 8.282 7.666 0.616 17610 14873 1 16 . 1 1 110 110 LYS N N 104 117.592 117.592 116.844 0.748 17610 14874 1 16 . 1 1 110 110 LYS HA H 104 4.269 4.269 4.236 0.033 17610 14875 1 16 . 1 1 110 110 LYS C C 104 175.878 175.878 176.819 -0.941 17610 14876 1 16 . 1 1 110 110 LYS CA C 104 54.797 54.797 56.999 -2.202 17610 14877 1 16 . 1 1 110 110 LYS CB C 104 30.687 30.687 32.735 -2.048 17610 14878 1 16 . 1 1 110 110 LYS H H 104 8.117 8.117 7.983 0.134 17610 14879 1 16 . 1 1 111 111 ASP N N 105 122.118 122.118 117.797 4.321 17610 14880 1 16 . 1 1 111 111 ASP HA H 105 4.306 4.306 4.366 -0.060 17610 14881 1 16 . 1 1 111 111 ASP C C 105 174.496 174.496 174.891 -0.395 17610 14882 1 16 . 1 1 111 111 ASP CA C 105 54.442 54.442 55.185 -0.743 17610 14883 1 16 . 1 1 111 111 ASP CB C 105 39.792 39.792 39.595 0.197 17610 14884 1 16 . 1 1 111 111 ASP H H 105 7.958 7.958 8.019 -0.061 17610 14885 1 16 . 1 1 112 112 SER N N 106 110.372 110.372 111.694 -1.322 17610 14886 1 16 . 1 1 112 112 SER HA H 106 4.565 4.565 4.573 -0.008 17610 14887 1 16 . 1 1 112 112 SER C C 106 172.985 172.985 173.607 -0.622 17610 14888 1 16 . 1 1 112 112 SER CA C 106 56.779 56.779 56.520 0.259 17610 14889 1 16 . 1 1 112 112 SER CB C 106 65.259 65.259 64.569 0.690 17610 14890 1 16 . 1 1 112 112 SER H H 106 7.539 7.539 7.590 -0.051 17610 14891 1 16 . 1 1 113 113 ASP N N 107 123.301 123.301 123.550 -0.249 17610 14892 1 16 . 1 1 113 113 ASP HA H 107 4.665 4.665 4.471 0.194 17610 14893 1 16 . 1 1 113 113 ASP C C 107 176.066 176.066 176.099 -0.033 17610 14894 1 16 . 1 1 113 113 ASP CA C 107 54.267 54.267 55.966 -1.699 17610 14895 1 16 . 1 1 113 113 ASP CB C 107 41.837 41.837 41.165 0.672 17610 14896 1 16 . 1 1 113 113 ASP H H 107 8.385 8.385 8.634 -0.249 17610 14897 1 16 . 1 1 114 114 ASP N N 108 122.347 122.347 120.072 2.275 17610 14898 1 16 . 1 1 114 114 ASP HA H 108 4.882 4.882 4.771 0.111 17610 14899 1 16 . 1 1 114 114 ASP C C 108 174.386 174.386 175.266 -0.880 17610 14900 1 16 . 1 1 114 114 ASP CA C 108 53.143 53.143 54.041 -0.898 17610 14901 1 16 . 1 1 114 114 ASP CB C 108 41.323 41.323 39.632 1.691 17610 14902 1 16 . 1 1 114 114 ASP H H 108 8.404 8.404 8.261 0.143 17610 14903 1 16 . 1 1 115 115 VAL N N 109 123.609 123.609 119.038 4.571 17610 14904 1 16 . 1 1 115 115 VAL HA H 109 4.337 4.337 4.600 -0.263 17610 14905 1 16 . 1 1 115 115 VAL CA C 109 58.984 58.984 57.773 1.211 17610 14906 1 16 . 1 1 115 115 VAL CB C 109 34.932 34.932 33.000 1.932 17610 14907 1 16 . 1 1 115 115 VAL H H 109 7.649 7.649 7.584 0.065 17610 14908 1 16 . 1 1 116 116 PRO HA H 110 4.430 4.430 4.601 -0.171 17610 14909 1 16 . 1 1 116 116 PRO C C 110 175.942 175.942 175.322 0.620 17610 14910 1 16 . 1 1 116 116 PRO CA C 110 63.872 63.872 63.408 0.464 17610 14911 1 16 . 1 1 116 116 PRO CB C 110 32.120 32.120 31.292 0.828 17610 14912 1 16 . 1 1 117 117 MET N N 111 124.020 124.020 122.322 1.698 17610 14913 1 16 . 1 1 117 117 MET HA H 111 5.777 5.777 5.561 0.216 17610 14914 1 16 . 1 1 117 117 MET C C 111 173.737 173.737 174.239 -0.502 17610 14915 1 16 . 1 1 117 117 MET CA C 111 55.094 55.094 54.317 0.777 17610 14916 1 16 . 1 1 117 117 MET CB C 111 37.889 37.889 38.069 -0.180 17610 14917 1 16 . 1 1 117 117 MET H H 111 8.274 8.274 7.998 0.276 17610 14918 1 16 . 1 1 118 118 VAL N N 112 118.747 118.747 115.632 3.115 17610 14919 1 16 . 1 1 118 118 VAL HA H 112 4.341 4.341 4.482 -0.141 17610 14920 1 16 . 1 1 118 118 VAL C C 112 173.171 173.171 173.456 -0.285 17610 14921 1 16 . 1 1 118 118 VAL CA C 112 60.943 60.943 60.717 0.226 17610 14922 1 16 . 1 1 118 118 VAL CB C 112 37.030 37.030 36.310 0.720 17610 14923 1 16 . 1 1 118 118 VAL H H 112 8.119 8.119 8.163 -0.044 17610 14924 1 16 . 1 1 119 119 LEU N N 113 129.931 129.931 126.814 3.117 17610 14925 1 16 . 1 1 119 119 LEU HA H 113 5.157 5.157 5.107 0.050 17610 14926 1 16 . 1 1 119 119 LEU C C 113 173.496 173.496 174.559 -1.063 17610 14927 1 16 . 1 1 119 119 LEU CA C 113 53.828 53.828 53.809 0.019 17610 14928 1 16 . 1 1 119 119 LEU CB C 113 43.876 43.876 44.126 -0.250 17610 14929 1 16 . 1 1 119 119 LEU H H 113 8.918 8.918 8.189 0.729 17610 14930 1 16 . 1 1 120 120 VAL N N 114 129.371 129.371 126.967 2.404 17610 14931 1 16 . 1 1 120 120 VAL HA H 114 5.117 5.117 4.875 0.242 17610 14932 1 16 . 1 1 120 120 VAL C C 114 173.667 173.667 175.559 -1.892 17610 14933 1 16 . 1 1 120 120 VAL CA C 114 60.124 60.124 59.663 0.461 17610 14934 1 16 . 1 1 120 120 VAL CB C 114 35.225 35.225 33.327 1.898 17610 14935 1 16 . 1 1 120 120 VAL H H 114 9.173 9.173 8.786 0.387 17610 14936 1 16 . 1 1 121 121 GLY N N 115 115.789 115.789 115.118 0.671 17610 14937 1 16 . 1 1 121 121 GLY C C 115 171.603 171.603 174.010 -2.407 17610 14938 1 16 . 1 1 121 121 GLY CA C 115 45.256 45.256 43.992 1.264 17610 14939 1 16 . 1 1 121 121 GLY H H 115 8.046 8.046 9.047 -1.001 17610 14940 1 16 . 1 1 122 122 ASN N N 116 122.349 122.349 122.912 -0.563 17610 14941 1 16 . 1 1 122 122 ASN HA H 116 5.620 5.620 4.541 1.079 17610 14942 1 16 . 1 1 122 122 ASN C C 116 174.732 174.732 175.469 -0.737 17610 14943 1 16 . 1 1 122 122 ASN CA C 116 51.492 51.492 53.147 -1.655 17610 14944 1 16 . 1 1 122 122 ASN CB C 116 41.323 41.323 39.716 1.607 17610 14945 1 16 . 1 1 122 122 ASN H H 116 8.756 8.756 7.552 1.204 17610 14946 1 16 . 1 1 123 123 LYS N N 117 113.297 113.297 117.207 -3.910 17610 14947 1 16 . 1 1 123 123 LYS HA H 117 4.280 4.280 4.012 0.268 17610 14948 1 16 . 1 1 123 123 LYS C C 117 177.324 177.324 175.843 1.481 17610 14949 1 16 . 1 1 123 123 LYS CA C 117 57.273 57.273 57.481 -0.208 17610 14950 1 16 . 1 1 123 123 LYS CB C 117 29.775 29.775 30.357 -0.582 17610 14951 1 16 . 1 1 123 123 LYS H H 117 7.342 7.342 8.752 -1.410 17610 14952 1 16 . 1 1 124 124 CYS N N 118 115.340 115.340 116.359 -1.019 17610 14953 1 16 . 1 1 124 124 CYS HA H 118 4.292 4.292 4.423 -0.131 17610 14954 1 16 . 1 1 124 124 CYS C C 118 173.325 173.325 175.348 -2.023 17610 14955 1 16 . 1 1 124 124 CYS CA C 118 60.698 60.698 58.802 1.896 17610 14956 1 16 . 1 1 124 124 CYS CB C 118 26.387 26.387 27.686 -1.299 17610 14957 1 16 . 1 1 124 124 CYS H H 118 8.763 8.763 8.105 0.658 17610 14958 1 16 . 1 1 125 125 ASP N N 119 118.603 118.603 121.133 -2.530 17610 14959 1 16 . 1 1 125 125 ASP HA H 119 4.476 4.476 4.523 -0.047 17610 14960 1 16 . 1 1 125 125 ASP C C 119 175.464 175.464 176.543 -1.079 17610 14961 1 16 . 1 1 125 125 ASP CA C 119 53.951 53.951 55.654 -1.704 17610 14962 1 16 . 1 1 125 125 ASP CB C 119 41.323 41.323 40.937 0.386 17610 14963 1 16 . 1 1 125 125 ASP H H 119 8.613 8.613 8.116 0.497 17610 14964 1 16 . 1 1 126 126 LEU N N 120 122.098 122.098 118.794 3.304 17610 14965 1 16 . 1 1 126 126 LEU HA H 120 4.241 4.241 4.222 0.019 17610 14966 1 16 . 1 1 126 126 LEU C C 120 176.420 176.420 176.400 0.020 17610 14967 1 16 . 1 1 126 126 LEU CA C 120 54.723 54.723 55.224 -0.501 17610 14968 1 16 . 1 1 126 126 LEU CB C 120 41.837 41.837 41.512 0.325 17610 14969 1 16 . 1 1 126 126 LEU H H 120 7.802 7.802 7.656 0.146 17610 14970 1 16 . 1 1 127 127 ALA N N 121 123.959 123.959 122.691 1.268 17610 14971 1 16 . 1 1 127 127 ALA HA H 121 4.214 4.214 4.495 -0.281 17610 14972 1 16 . 1 1 127 127 ALA C C 121 178.717 178.717 176.577 2.140 17610 14973 1 16 . 1 1 127 127 ALA CA C 121 53.179 53.179 51.977 1.202 17610 14974 1 16 . 1 1 127 127 ALA CB C 121 18.871 18.871 18.866 0.005 17610 14975 1 16 . 1 1 127 127 ALA H H 121 8.160 8.160 8.245 -0.085 17610 14976 1 16 . 1 1 128 128 ALA N N 122 123.078 123.078 122.655 0.423 17610 14977 1 16 . 1 1 128 128 ALA HA H 122 4.524 4.524 4.568 -0.044 17610 14978 1 16 . 1 1 128 128 ALA C C 122 175.272 175.272 175.913 -0.641 17610 14979 1 16 . 1 1 128 128 ALA CA C 122 51.259 51.259 51.554 -0.295 17610 14980 1 16 . 1 1 128 128 ALA CB C 122 17.623 17.623 19.436 -1.813 17610 14981 1 16 . 1 1 128 128 ALA H H 122 7.698 7.698 7.872 -0.174 17610 14982 1 16 . 1 1 129 129 ARG N N 123 121.454 121.454 120.461 0.993 17610 14983 1 16 . 1 1 129 129 ARG HA H 123 4.093 4.093 4.338 -0.245 17610 14984 1 16 . 1 1 129 129 ARG C C 123 176.271 176.271 176.073 0.198 17610 14985 1 16 . 1 1 129 129 ARG CA C 123 55.596 55.596 55.272 0.324 17610 14986 1 16 . 1 1 129 129 ARG CB C 123 32.696 32.696 30.849 1.847 17610 14987 1 16 . 1 1 129 129 ARG H H 123 7.992 7.992 7.870 0.122 17610 14988 1 16 . 1 1 130 130 THR N N 124 115.617 115.617 113.372 2.245 17610 14989 1 16 . 1 1 130 130 THR HA H 124 4.564 4.564 4.441 0.123 17610 14990 1 16 . 1 1 130 130 THR C C 124 174.119 174.119 175.056 -0.937 17610 14991 1 16 . 1 1 130 130 THR CA C 124 61.746 61.746 62.456 -0.710 17610 14992 1 16 . 1 1 130 130 THR CB C 124 69.094 69.094 70.099 -1.005 17610 14993 1 16 . 1 1 130 130 THR H H 124 9.145 9.145 8.948 0.197 17610 14994 1 16 . 1 1 131 131 VAL N N 125 125.688 125.688 124.686 1.002 17610 14995 1 16 . 1 1 131 131 VAL HA H 125 4.015 4.015 4.223 -0.208 17610 14996 1 16 . 1 1 131 131 VAL C C 125 175.658 175.658 174.264 1.394 17610 14997 1 16 . 1 1 131 131 VAL CA C 125 61.373 61.373 60.972 0.401 17610 14998 1 16 . 1 1 131 131 VAL CB C 125 33.147 33.147 32.333 0.814 17610 14999 1 16 . 1 1 131 131 VAL H H 125 7.618 7.618 8.175 -0.557 17610 15000 1 16 . 1 1 132 132 GLU N N 126 128.319 128.319 126.460 1.859 17610 15001 1 16 . 1 1 132 132 GLU HA H 126 4.228 4.228 4.196 0.032 17610 15002 1 16 . 1 1 132 132 GLU C C 126 177.986 177.986 177.189 0.797 17610 15003 1 16 . 1 1 132 132 GLU CA C 126 56.323 56.323 56.767 -0.444 17610 15004 1 16 . 1 1 132 132 GLU CB C 126 30.158 30.158 30.122 0.036 17610 15005 1 16 . 1 1 132 132 GLU H H 126 8.727 8.727 8.460 0.267 17610 15006 1 16 . 1 1 133 133 SER N N 127 122.970 122.970 116.063 6.907 17610 15007 1 16 . 1 1 133 133 SER HA H 127 4.074 4.074 4.150 -0.076 17610 15008 1 16 . 1 1 133 133 SER C C 127 176.633 176.633 176.024 0.609 17610 15009 1 16 . 1 1 133 133 SER CA C 127 62.598 62.598 61.117 1.482 17610 15010 1 16 . 1 1 133 133 SER CB C 127 62.511 62.511 63.233 -0.722 17610 15011 1 16 . 1 1 133 133 SER H H 127 9.421 9.421 8.805 0.616 17610 15012 1 16 . 1 1 134 134 ARG N N 128 119.141 119.141 121.489 -2.348 17610 15013 1 16 . 1 1 134 134 ARG HA H 128 4.028 4.028 3.961 0.067 17610 15014 1 16 . 1 1 134 134 ARG C C 128 177.739 177.739 178.057 -0.318 17610 15015 1 16 . 1 1 134 134 ARG CA C 128 58.785 58.785 58.562 0.223 17610 15016 1 16 . 1 1 134 134 ARG CB C 128 29.752 29.752 29.192 0.560 17610 15017 1 16 . 1 1 134 134 ARG H H 128 8.675 8.675 8.419 0.256 17610 15018 1 16 . 1 1 135 135 GLN N N 129 118.050 118.050 117.983 0.067 17610 15019 1 16 . 1 1 135 135 GLN HA H 129 4.091 4.091 3.887 0.204 17610 15020 1 16 . 1 1 135 135 GLN C C 129 179.009 179.009 177.942 1.067 17610 15021 1 16 . 1 1 135 135 GLN CA C 129 58.389 58.389 58.506 -0.117 17610 15022 1 16 . 1 1 135 135 GLN CB C 129 28.916 28.916 28.248 0.667 17610 15023 1 16 . 1 1 135 135 GLN H H 129 6.796 6.796 7.669 -0.873 17610 15024 1 16 . 1 1 136 136 ALA N N 130 124.769 124.769 121.451 3.318 17610 15025 1 16 . 1 1 136 136 ALA HA H 130 3.933 3.933 3.330 0.603 17610 15026 1 16 . 1 1 136 136 ALA C C 130 178.155 178.155 179.444 -1.289 17610 15027 1 16 . 1 1 136 136 ALA CA C 130 54.760 54.760 54.493 0.266 17610 15028 1 16 . 1 1 136 136 ALA CB C 130 18.546 18.546 17.681 0.865 17610 15029 1 16 . 1 1 136 136 ALA H H 130 7.017 7.017 7.284 -0.267 17610 15030 1 16 . 1 1 137 137 GLN N N 131 119.215 119.215 117.026 2.189 17610 15031 1 16 . 1 1 137 137 GLN HA H 131 3.720 3.720 3.614 0.106 17610 15032 1 16 . 1 1 137 137 GLN C C 131 179.387 179.387 177.902 1.485 17610 15033 1 16 . 1 1 137 137 GLN CA C 131 58.815 58.815 59.091 -0.276 17610 15034 1 16 . 1 1 137 137 GLN CB C 131 28.503 28.503 28.344 0.159 17610 15035 1 16 . 1 1 137 137 GLN H H 131 8.602 8.602 8.098 0.504 17610 15036 1 16 . 1 1 138 138 ASP N N 132 121.298 121.298 120.868 0.430 17610 15037 1 16 . 1 1 138 138 ASP HA H 132 4.371 4.371 4.326 0.045 17610 15038 1 16 . 1 1 138 138 ASP C C 132 178.855 178.855 178.524 0.331 17610 15039 1 16 . 1 1 138 138 ASP CA C 132 57.425 57.425 57.373 0.052 17610 15040 1 16 . 1 1 138 138 ASP CB C 132 40.860 40.860 40.888 -0.028 17610 15041 1 16 . 1 1 138 138 ASP H H 132 8.203 8.203 7.926 0.277 17610 15042 1 16 . 1 1 139 139 LEU N N 133 124.786 124.786 121.020 3.766 17610 15043 1 16 . 1 1 139 139 LEU HA H 133 3.888 3.888 4.146 -0.258 17610 15044 1 16 . 1 1 139 139 LEU C C 133 178.953 178.953 177.952 1.001 17610 15045 1 16 . 1 1 139 139 LEU CA C 133 57.827 57.827 57.553 0.274 17610 15046 1 16 . 1 1 139 139 LEU CB C 133 41.837 41.837 41.848 -0.011 17610 15047 1 16 . 1 1 139 139 LEU H H 133 7.485 7.485 7.314 0.171 17610 15048 1 16 . 1 1 140 140 ALA N N 134 123.038 123.038 121.747 1.291 17610 15049 1 16 . 1 1 140 140 ALA HA H 134 3.783 3.783 3.833 -0.050 17610 15050 1 16 . 1 1 140 140 ALA C C 134 179.902 179.902 179.269 0.633 17610 15051 1 16 . 1 1 140 140 ALA CA C 134 55.832 55.832 55.504 0.328 17610 15052 1 16 . 1 1 140 140 ALA CB C 134 18.120 18.120 18.241 -0.121 17610 15053 1 16 . 1 1 140 140 ALA H H 134 8.426 8.426 7.796 0.630 17610 15054 1 16 . 1 1 141 141 ARG N N 135 119.537 119.537 117.798 1.739 17610 15055 1 16 . 1 1 141 141 ARG HA H 135 4.194 4.194 3.989 0.205 17610 15056 1 16 . 1 1 141 141 ARG C C 135 180.037 180.037 178.561 1.476 17610 15057 1 16 . 1 1 141 141 ARG CA C 135 59.331 59.331 59.636 -0.305 17610 15058 1 16 . 1 1 141 141 ARG CB C 135 29.864 29.864 30.215 -0.351 17610 15059 1 16 . 1 1 141 141 ARG H H 135 8.459 8.459 8.488 -0.029 17610 15060 1 16 . 1 1 142 142 SER N N 136 118.958 118.958 112.076 6.882 17610 15061 1 16 . 1 1 142 142 SER HA H 136 4.277 4.277 4.349 -0.072 17610 15062 1 16 . 1 1 142 142 SER C C 136 176.127 176.127 176.041 0.086 17610 15063 1 16 . 1 1 142 142 SER CA C 136 61.509 61.509 60.672 0.837 17610 15064 1 16 . 1 1 142 142 SER CB C 136 62.529 62.529 63.069 -0.540 17610 15065 1 16 . 1 1 142 142 SER H H 136 7.944 7.944 7.552 0.392 17610 15066 1 16 . 1 1 143 143 TYR N N 137 121.309 121.309 119.902 1.407 17610 15067 1 16 . 1 1 143 143 TYR HA H 137 4.907 4.907 4.384 0.523 17610 15068 1 16 . 1 1 143 143 TYR C C 137 176.279 176.279 176.103 0.176 17610 15069 1 16 . 1 1 143 143 TYR CA C 137 54.737 54.737 58.110 -3.373 17610 15070 1 16 . 1 1 143 143 TYR CB C 137 38.830 38.830 38.792 0.038 17610 15071 1 16 . 1 1 143 143 TYR H H 137 7.623 7.623 8.043 -0.420 17610 15072 1 16 . 1 1 144 144 GLY N N 138 112.193 112.193 106.795 5.398 17610 15073 1 16 . 1 1 144 144 GLY C C 138 175.077 175.077 174.529 0.548 17610 15074 1 16 . 1 1 144 144 GLY CA C 138 46.439 46.439 45.078 1.361 17610 15075 1 16 . 1 1 144 144 GLY H H 138 8.328 8.328 7.826 0.502 17610 15076 1 16 . 1 1 145 145 ILE N N 139 114.227 114.227 115.391 -1.164 17610 15077 1 16 . 1 1 145 145 ILE HA H 139 5.241 5.241 4.809 0.432 17610 15078 1 16 . 1 1 145 145 ILE CA C 139 58.420 58.420 57.795 0.625 17610 15079 1 16 . 1 1 145 145 ILE CB C 139 38.543 38.543 38.936 -0.393 17610 15080 1 16 . 1 1 145 145 ILE H H 139 8.059 8.059 7.603 0.456 17610 15081 1 16 . 1 1 146 146 PRO HA H 140 4.627 4.627 4.507 0.120 17610 15082 1 16 . 1 1 146 146 PRO C C 140 174.570 174.570 175.235 -0.665 17610 15083 1 16 . 1 1 146 146 PRO CA C 140 62.362 62.362 62.251 0.111 17610 15084 1 16 . 1 1 146 146 PRO CB C 140 33.057 33.057 32.594 0.463 17610 15085 1 16 . 1 1 147 147 TYR N N 141 121.135 121.135 121.272 -0.137 17610 15086 1 16 . 1 1 147 147 TYR HA H 141 5.997 5.997 5.428 0.569 17610 15087 1 16 . 1 1 147 147 TYR C C 141 174.492 174.492 174.752 -0.260 17610 15088 1 16 . 1 1 147 147 TYR CA C 141 54.912 54.912 56.377 -1.465 17610 15089 1 16 . 1 1 147 147 TYR CB C 141 40.972 40.972 40.490 0.481 17610 15090 1 16 . 1 1 147 147 TYR H H 141 8.252 8.252 8.366 -0.114 17610 15091 1 16 . 1 1 148 148 ILE N N 142 131.362 131.362 128.269 3.093 17610 15092 1 16 . 1 1 148 148 ILE HA H 142 3.948 3.948 4.265 -0.317 17610 15093 1 16 . 1 1 148 148 ILE C C 142 172.977 172.977 174.089 -1.112 17610 15094 1 16 . 1 1 148 148 ILE CA C 142 59.383 59.383 59.562 -0.179 17610 15095 1 16 . 1 1 148 148 ILE CB C 142 42.260 42.260 42.031 0.229 17610 15096 1 16 . 1 1 148 148 ILE H H 142 8.495 8.495 7.966 0.529 17610 15097 1 16 . 1 1 149 149 GLU N N 143 125.874 125.874 122.604 3.270 17610 15098 1 16 . 1 1 149 149 GLU HA H 143 4.788 4.788 4.522 0.266 17610 15099 1 16 . 1 1 149 149 GLU C C 143 176.128 176.128 175.266 0.862 17610 15100 1 16 . 1 1 149 149 GLU CA C 143 55.647 55.647 55.261 0.386 17610 15101 1 16 . 1 1 149 149 GLU CB C 143 29.727 29.727 32.016 -2.289 17610 15102 1 16 . 1 1 149 149 GLU H H 143 7.827 7.827 8.542 -0.715 17610 15103 1 16 . 1 1 150 150 THR N N 144 113.629 113.629 114.326 -0.697 17610 15104 1 16 . 1 1 150 150 THR HA H 144 5.081 5.081 5.158 -0.077 17610 15105 1 16 . 1 1 150 150 THR C C 144 176.136 176.136 172.900 3.236 17610 15106 1 16 . 1 1 150 150 THR CA C 144 59.464 59.464 59.535 -0.070 17610 15107 1 16 . 1 1 150 150 THR CB C 144 73.639 73.639 71.358 2.281 17610 15108 1 16 . 1 1 150 150 THR H H 144 8.800 8.800 7.943 0.857 17610 15109 1 16 . 1 1 151 151 SER N N 145 113.706 113.706 115.474 -1.768 17610 15110 1 16 . 1 1 151 151 SER HA H 145 4.883 4.883 4.994 -0.111 17610 15111 1 16 . 1 1 151 151 SER C C 145 175.707 175.707 174.104 1.603 17610 15112 1 16 . 1 1 151 151 SER CA C 145 57.438 57.438 57.096 0.342 17610 15113 1 16 . 1 1 151 151 SER CB C 145 64.470 64.470 66.162 -1.692 17610 15114 1 16 . 1 1 151 151 SER H H 145 8.807 8.807 8.221 0.586 17610 15115 1 16 . 1 1 152 152 ALA N N 146 133.500 133.500 128.175 5.325 17610 15116 1 16 . 1 1 152 152 ALA HA H 146 3.890 3.890 4.073 -0.183 17610 15117 1 16 . 1 1 152 152 ALA C C 146 175.632 175.632 177.896 -2.264 17610 15118 1 16 . 1 1 152 152 ALA CA C 146 54.416 54.416 54.881 -0.465 17610 15119 1 16 . 1 1 152 152 ALA CB C 146 18.605 18.605 19.054 -0.449 17610 15120 1 16 . 1 1 152 152 ALA H H 146 9.134 9.134 8.865 0.269 17610 15121 1 16 . 1 1 153 153 LYS N N 147 117.223 117.223 116.232 0.991 17610 15122 1 16 . 1 1 153 153 LYS HA H 147 2.616 2.616 3.996 -1.380 17610 15123 1 16 . 1 1 153 153 LYS C C 147 177.045 177.045 176.633 0.412 17610 15124 1 16 . 1 1 153 153 LYS CA C 147 58.119 58.119 58.413 -0.294 17610 15125 1 16 . 1 1 153 153 LYS CB C 147 33.956 33.956 32.171 1.785 17610 15126 1 16 . 1 1 153 153 LYS H H 147 7.042 7.042 8.210 -1.168 17610 15127 1 16 . 1 1 154 154 THR N N 148 107.404 107.404 108.767 -1.363 17610 15128 1 16 . 1 1 154 154 THR HA H 148 4.157 4.157 4.364 -0.207 17610 15129 1 16 . 1 1 154 154 THR C C 148 175.979 175.979 174.027 1.952 17610 15130 1 16 . 1 1 154 154 THR CA C 148 61.489 61.489 61.181 0.308 17610 15131 1 16 . 1 1 154 154 THR CB C 148 69.911 69.911 68.227 1.684 17610 15132 1 16 . 1 1 154 154 THR H H 148 7.721 7.721 7.763 -0.042 17610 15133 1 16 . 1 1 155 155 ARG N N 149 119.268 119.268 117.194 2.074 17610 15134 1 16 . 1 1 155 155 ARG HA H 149 3.476 3.476 3.951 -0.475 17610 15135 1 16 . 1 1 155 155 ARG C C 149 175.481 175.481 174.915 0.566 17610 15136 1 16 . 1 1 155 155 ARG CA C 149 59.653 59.653 57.014 2.639 17610 15137 1 16 . 1 1 155 155 ARG CB C 149 30.445 30.445 26.951 3.494 17610 15138 1 16 . 1 1 155 155 ARG H H 149 7.814 7.814 7.728 0.086 17610 15139 1 16 . 1 1 156 156 GLN N N 150 125.391 125.391 122.928 2.463 17610 15140 1 16 . 1 1 156 156 GLN HA H 150 4.065 4.065 4.431 -0.366 17610 15141 1 16 . 1 1 156 156 GLN C C 150 177.007 177.007 175.997 1.010 17610 15142 1 16 . 1 1 156 156 GLN CA C 150 57.433 57.433 55.048 2.385 17610 15143 1 16 . 1 1 156 156 GLN CB C 150 28.472 28.472 29.440 -0.968 17610 15144 1 16 . 1 1 156 156 GLN H H 150 7.833 7.833 7.594 0.239 17610 15145 1 16 . 1 1 157 157 GLY N N 151 116.380 116.380 113.970 2.410 17610 15146 1 16 . 1 1 157 157 GLY C C 151 173.581 173.581 174.558 -0.977 17610 15147 1 16 . 1 1 157 157 GLY CA C 151 46.945 46.945 46.159 0.786 17610 15148 1 16 . 1 1 157 157 GLY H H 151 8.936 8.936 8.734 0.202 17610 15149 1 16 . 1 1 158 158 VAL N N 152 121.822 121.822 120.194 1.628 17610 15150 1 16 . 1 1 158 158 VAL HA H 152 3.221 3.221 3.583 -0.362 17610 15151 1 16 . 1 1 158 158 VAL C C 152 177.006 177.006 177.548 -0.542 17610 15152 1 16 . 1 1 158 158 VAL CA C 152 68.314 68.314 65.817 2.497 17610 15153 1 16 . 1 1 158 158 VAL CB C 152 31.473 31.473 31.669 -0.196 17610 15154 1 16 . 1 1 158 158 VAL H H 152 7.099 7.099 8.195 -1.096 17610 15155 1 16 . 1 1 159 159 GLU N N 153 118.087 118.087 117.393 0.694 17610 15156 1 16 . 1 1 159 159 GLU HA H 153 3.305 3.305 3.730 -0.425 17610 15157 1 16 . 1 1 159 159 GLU C C 153 177.163 177.163 178.314 -1.151 17610 15158 1 16 . 1 1 159 159 GLU CA C 153 60.407 60.407 59.750 0.657 17610 15159 1 16 . 1 1 159 159 GLU CB C 153 28.787 28.787 28.683 0.104 17610 15160 1 16 . 1 1 159 159 GLU H H 153 8.271 8.271 8.672 -0.401 17610 15161 1 16 . 1 1 160 160 ASP N N 154 117.624 117.624 119.865 -2.241 17610 15162 1 16 . 1 1 160 160 ASP HA H 154 4.205 4.205 4.625 -0.420 17610 15163 1 16 . 1 1 160 160 ASP C C 154 179.366 179.366 178.031 1.335 17610 15164 1 16 . 1 1 160 160 ASP CA C 154 57.288 57.288 56.974 0.314 17610 15165 1 16 . 1 1 160 160 ASP CB C 154 40.040 40.040 40.603 -0.563 17610 15166 1 16 . 1 1 160 160 ASP H H 154 8.145 8.145 8.123 0.022 17610 15167 1 16 . 1 1 161 161 ALA N N 155 125.270 125.270 122.380 2.890 17610 15168 1 16 . 1 1 161 161 ALA HA H 155 3.749 3.749 3.979 -0.230 17610 15169 1 16 . 1 1 161 161 ALA C C 155 177.684 177.684 179.825 -2.141 17610 15170 1 16 . 1 1 161 161 ALA CA C 155 56.295 56.295 54.834 1.461 17610 15171 1 16 . 1 1 161 161 ALA CB C 155 17.397 17.397 18.267 -0.870 17610 15172 1 16 . 1 1 161 161 ALA H H 155 8.603 8.603 7.539 1.064 17610 15173 1 16 . 1 1 162 162 PHE N N 156 113.772 113.772 117.407 -3.635 17610 15174 1 16 . 1 1 162 162 PHE HA H 156 3.912 3.912 4.091 -0.179 17610 15175 1 16 . 1 1 162 162 PHE C C 156 177.975 177.975 177.820 0.155 17610 15176 1 16 . 1 1 162 162 PHE CA C 156 62.851 62.851 62.243 0.608 17610 15177 1 16 . 1 1 162 162 PHE CB C 156 39.472 39.472 38.673 0.799 17610 15178 1 16 . 1 1 162 162 PHE H H 156 7.236 7.236 7.574 -0.338 17610 15179 1 16 . 1 1 163 163 TYR N N 157 120.499 120.499 117.754 2.745 17610 15180 1 16 . 1 1 163 163 TYR HA H 157 4.355 4.355 4.182 0.173 17610 15181 1 16 . 1 1 163 163 TYR C C 157 179.097 179.097 178.240 0.857 17610 15182 1 16 . 1 1 163 163 TYR CA C 157 58.309 58.309 60.105 -1.796 17610 15183 1 16 . 1 1 163 163 TYR CB C 157 35.012 35.012 37.259 -2.247 17610 15184 1 16 . 1 1 163 163 TYR H H 157 9.573 9.573 8.162 1.411 17610 15185 1 16 . 1 1 164 164 THR N N 158 118.206 118.206 115.939 2.267 17610 15186 1 16 . 1 1 164 164 THR HA H 158 3.903 3.903 4.001 -0.098 17610 15187 1 16 . 1 1 164 164 THR C C 158 175.656 175.656 176.203 -0.547 17610 15188 1 16 . 1 1 164 164 THR CA C 158 67.484 67.484 66.433 1.051 17610 15189 1 16 . 1 1 164 164 THR CB C 158 67.819 67.819 68.165 -0.346 17610 15190 1 16 . 1 1 164 164 THR H H 158 8.538 8.538 8.284 0.254 17610 15191 1 16 . 1 1 165 165 LEU N N 159 122.864 122.864 121.828 1.036 17610 15192 1 16 . 1 1 165 165 LEU HA H 159 3.871 3.871 4.007 -0.136 17610 15193 1 16 . 1 1 165 165 LEU C C 159 177.513 177.513 178.052 -0.539 17610 15194 1 16 . 1 1 165 165 LEU CA C 159 57.991 57.991 57.954 0.037 17610 15195 1 16 . 1 1 165 165 LEU CB C 159 40.181 40.181 41.657 -1.476 17610 15196 1 16 . 1 1 165 165 LEU H H 159 7.232 7.232 7.677 -0.445 17610 15197 1 16 . 1 1 166 166 VAL N N 160 120.322 120.322 118.726 1.596 17610 15198 1 16 . 1 1 166 166 VAL HA H 160 3.045 3.045 3.379 -0.334 17610 15199 1 16 . 1 1 166 166 VAL C C 160 177.474 177.474 178.503 -1.029 17610 15200 1 16 . 1 1 166 166 VAL CA C 160 67.389 67.389 65.939 1.450 17610 15201 1 16 . 1 1 166 166 VAL CB C 160 30.944 30.944 30.666 0.278 17610 15202 1 16 . 1 1 166 166 VAL H H 160 7.517 7.517 7.401 0.116 17610 15203 1 16 . 1 1 167 167 ARG N N 161 120.151 120.151 119.716 0.435 17610 15204 1 16 . 1 1 167 167 ARG HA H 161 3.772 3.772 4.038 -0.266 17610 15205 1 16 . 1 1 167 167 ARG C C 161 179.030 179.030 178.726 0.304 17610 15206 1 16 . 1 1 167 167 ARG CA C 161 60.935 60.935 59.728 1.206 17610 15207 1 16 . 1 1 167 167 ARG CB C 161 29.586 29.586 30.081 -0.495 17610 15208 1 16 . 1 1 167 167 ARG H H 161 8.044 8.044 7.515 0.529 17610 15209 1 16 . 1 1 168 168 GLU N N 162 119.201 119.201 120.325 -1.124 17610 15210 1 16 . 1 1 168 168 GLU HA H 162 4.050 4.050 4.159 -0.109 17610 15211 1 16 . 1 1 168 168 GLU C C 162 179.805 179.805 179.088 0.717 17610 15212 1 16 . 1 1 168 168 GLU CA C 162 58.867 58.867 59.051 -0.184 17610 15213 1 16 . 1 1 168 168 GLU CB C 162 30.330 30.330 29.357 0.973 17610 15214 1 16 . 1 1 168 168 GLU H H 162 8.171 8.171 7.630 0.541 17610 15215 1 16 . 1 1 169 169 ILE N N 163 123.244 123.244 120.184 3.060 17610 15216 1 16 . 1 1 169 169 ILE HA H 163 3.583 3.583 3.736 -0.153 17610 15217 1 16 . 1 1 169 169 ILE C C 163 178.906 178.906 178.811 0.095 17610 15218 1 16 . 1 1 169 169 ILE CA C 163 66.023 66.023 65.404 0.619 17610 15219 1 16 . 1 1 169 169 ILE CB C 163 38.204 38.204 37.848 0.356 17610 15220 1 16 . 1 1 169 169 ILE H H 163 8.174 8.174 8.535 -0.361 17610 15221 1 16 . 1 1 170 170 ARG N N 164 119.842 119.842 119.763 0.079 17610 15222 1 16 . 1 1 170 170 ARG HA H 164 4.140 4.140 4.047 0.093 17610 15223 1 16 . 1 1 170 170 ARG C C 164 177.532 177.532 178.225 -0.693 17610 15224 1 16 . 1 1 170 170 ARG CA C 164 58.944 58.944 59.389 -0.445 17610 15225 1 16 . 1 1 170 170 ARG CB C 164 31.206 31.206 30.027 1.179 17610 15226 1 16 . 1 1 170 170 ARG H H 164 8.405 8.405 7.698 0.707 17610 15227 1 16 . 1 1 171 171 GLN N N 165 116.762 116.762 115.829 0.933 17610 15228 1 16 . 1 1 171 171 GLN HA H 165 4.343 4.343 4.121 0.222 17610 15229 1 16 . 1 1 171 171 GLN C C 165 175.218 175.218 176.431 -1.213 17610 15230 1 16 . 1 1 171 171 GLN CA C 165 56.100 56.100 57.738 -1.638 17610 15231 1 16 . 1 1 171 171 GLN CB C 165 29.236 29.236 28.726 0.510 17610 15232 1 16 . 1 1 171 171 GLN H H 165 7.646 7.646 7.947 -0.301 17610 15233 1 17 . 1 1 8 8 THR N N 2 124.188 124.188 116.911 7.277 17610 15234 1 17 . 1 1 8 8 THR HA H 2 3.983 3.983 4.363 -0.380 17610 15235 1 17 . 1 1 8 8 THR C C 2 171.971 171.971 173.334 -1.363 17610 15236 1 17 . 1 1 8 8 THR CA C 2 63.551 63.551 61.980 1.571 17610 15237 1 17 . 1 1 8 8 THR CB C 2 69.619 69.619 70.275 -0.656 17610 15238 1 17 . 1 1 8 8 THR H H 2 8.667 8.667 8.396 0.271 17610 15239 1 17 . 1 1 9 9 GLU N N 3 127.895 127.895 125.607 2.288 17610 15240 1 17 . 1 1 9 9 GLU HA H 3 5.280 5.280 4.472 0.808 17610 15241 1 17 . 1 1 9 9 GLU C C 3 175.089 175.089 175.029 0.060 17610 15242 1 17 . 1 1 9 9 GLU CA C 3 53.636 53.636 55.709 -2.073 17610 15243 1 17 . 1 1 9 9 GLU CB C 3 32.029 32.029 30.800 1.229 17610 15244 1 17 . 1 1 9 9 GLU H H 3 8.316 8.316 8.459 -0.143 17610 15245 1 17 . 1 1 10 10 TYR N N 4 123.375 123.375 125.631 -2.256 17610 15246 1 17 . 1 1 10 10 TYR HA H 4 5.131 5.131 4.645 0.486 17610 15247 1 17 . 1 1 10 10 TYR C C 4 174.621 174.621 175.125 -0.504 17610 15248 1 17 . 1 1 10 10 TYR CA C 4 56.649 56.649 57.245 -0.596 17610 15249 1 17 . 1 1 10 10 TYR CB C 4 41.323 41.323 40.677 0.646 17610 15250 1 17 . 1 1 10 10 TYR H H 4 8.739 8.739 8.306 0.433 17610 15251 1 17 . 1 1 11 11 LYS N N 5 125.147 125.147 125.090 0.057 17610 15252 1 17 . 1 1 11 11 LYS HA H 5 5.168 5.168 4.584 0.584 17610 15253 1 17 . 1 1 11 11 LYS C C 5 175.291 175.291 174.996 0.295 17610 15254 1 17 . 1 1 11 11 LYS CA C 5 55.145 55.145 55.516 -0.371 17610 15255 1 17 . 1 1 11 11 LYS CB C 5 32.225 32.225 33.078 -0.853 17610 15256 1 17 . 1 1 11 11 LYS H H 5 9.142 9.142 8.839 0.303 17610 15257 1 17 . 1 1 12 12 LEU N N 6 127.306 127.306 126.687 0.619 17610 15258 1 17 . 1 1 12 12 LEU HA H 6 4.970 4.970 4.422 0.548 17610 15259 1 17 . 1 1 12 12 LEU C C 6 175.298 175.298 175.072 0.226 17610 15260 1 17 . 1 1 12 12 LEU CA C 6 52.743 52.743 54.060 -1.317 17610 15261 1 17 . 1 1 12 12 LEU CB C 6 43.063 43.063 43.275 -0.212 17610 15262 1 17 . 1 1 12 12 LEU H H 6 9.150 9.150 8.774 0.376 17610 15263 1 17 . 1 1 13 13 VAL N N 7 123.170 123.170 125.365 -2.195 17610 15264 1 17 . 1 1 13 13 VAL HA H 7 4.827 4.827 4.335 0.492 17610 15265 1 17 . 1 1 13 13 VAL C C 7 174.230 174.230 175.723 -1.493 17610 15266 1 17 . 1 1 13 13 VAL CB C 7 34.048 34.048 31.719 2.329 17610 15267 1 17 . 1 1 13 13 VAL H H 7 8.113 8.113 7.826 0.287 17610 15268 1 17 . 1 1 14 14 VAL N N 8 129.854 129.854 128.351 1.503 17610 15269 1 17 . 1 1 14 14 VAL HA H 8 4.669 4.669 4.391 0.278 17610 15270 1 17 . 1 1 14 14 VAL C C 8 175.377 175.377 175.878 -0.501 17610 15271 1 17 . 1 1 14 14 VAL CA C 8 61.935 61.935 62.767 -0.832 17610 15272 1 17 . 1 1 14 14 VAL CB C 8 32.496 32.496 31.880 0.616 17610 15273 1 17 . 1 1 14 14 VAL H H 8 8.707 8.707 7.921 0.786 17610 15274 1 17 . 1 1 15 15 VAL N N 9 121.835 121.835 115.693 6.142 17610 15275 1 17 . 1 1 15 15 VAL HA H 9 4.616 4.616 4.543 0.073 17610 15276 1 17 . 1 1 15 15 VAL C C 9 172.824 172.824 174.064 -1.240 17610 15277 1 17 . 1 1 15 15 VAL CA C 9 58.963 58.963 59.105 -0.142 17610 15278 1 17 . 1 1 15 15 VAL CB C 9 35.405 35.405 34.157 1.248 17610 15279 1 17 . 1 1 15 15 VAL H H 9 9.107 9.107 8.847 0.260 17610 15280 1 17 . 1 1 16 16 GLY N N 10 109.233 109.233 105.692 3.541 17610 15281 1 17 . 1 1 16 16 GLY C C 10 172.504 172.504 172.772 -0.268 17610 15282 1 17 . 1 1 16 16 GLY CA C 10 43.848 43.848 44.574 -0.726 17610 15283 1 17 . 1 1 16 16 GLY H H 10 7.394 7.394 7.525 -0.131 17610 15284 1 17 . 1 1 17 17 ALA N N 11 123.120 123.120 123.172 -0.052 17610 15285 1 17 . 1 1 17 17 ALA HA H 11 4.547 4.547 4.671 -0.124 17610 15286 1 17 . 1 1 17 17 ALA C C 11 177.371 177.371 178.782 -1.411 17610 15287 1 17 . 1 1 17 17 ALA CA C 11 52.236 52.236 51.779 0.457 17610 15288 1 17 . 1 1 17 17 ALA CB C 11 19.807 19.807 19.717 0.090 17610 15289 1 17 . 1 1 17 17 ALA H H 11 9.054 9.054 8.502 0.552 17610 15290 1 17 . 1 1 18 18 GLY N N 12 107.391 107.391 107.612 -0.221 17610 15291 1 17 . 1 1 18 18 GLY C C 12 176.858 176.858 174.698 2.160 17610 15292 1 17 . 1 1 18 18 GLY CA C 12 46.465 46.465 46.565 -0.100 17610 15293 1 17 . 1 1 18 18 GLY H H 12 8.694 8.694 8.875 -0.181 17610 15294 1 17 . 1 1 19 19 GLY N N 13 114.596 114.596 107.826 6.770 17610 15295 1 17 . 1 1 19 19 GLY C C 13 174.661 174.661 173.711 0.950 17610 15296 1 17 . 1 1 19 19 GLY CA C 13 46.545 46.545 44.214 2.331 17610 15297 1 17 . 1 1 19 19 GLY H H 13 8.916 8.916 7.960 0.956 17610 15298 1 17 . 1 1 20 20 VAL N N 14 113.376 113.376 118.958 -5.582 17610 15299 1 17 . 1 1 20 20 VAL HA H 14 4.008 4.008 4.459 -0.451 17610 15300 1 17 . 1 1 20 20 VAL C C 14 174.469 174.469 176.213 -1.744 17610 15301 1 17 . 1 1 20 20 VAL CA C 14 62.825 62.825 60.365 2.460 17610 15302 1 17 . 1 1 20 20 VAL CB C 14 31.740 31.740 32.963 -1.223 17610 15303 1 17 . 1 1 20 20 VAL H H 14 7.427 7.427 7.772 -0.345 17610 15304 1 17 . 1 1 21 21 GLY N N 15 109.392 109.392 108.928 0.464 17610 15305 1 17 . 1 1 21 21 GLY C C 15 173.254 173.254 175.549 -2.295 17610 15306 1 17 . 1 1 21 21 GLY CA C 15 45.708 45.708 46.594 -0.886 17610 15307 1 17 . 1 1 21 21 GLY H H 15 8.388 8.388 8.521 -0.133 17610 15308 1 17 . 1 1 22 22 LYS N N 16 124.844 124.844 117.524 7.320 17610 15309 1 17 . 1 1 22 22 LYS HA H 16 3.537 3.537 4.107 -0.570 17610 15310 1 17 . 1 1 22 22 LYS C C 16 179.106 179.106 177.759 1.347 17610 15311 1 17 . 1 1 22 22 LYS CA C 16 60.990 60.990 58.784 2.206 17610 15312 1 17 . 1 1 22 22 LYS CB C 16 29.967 29.967 31.990 -2.023 17610 15313 1 17 . 1 1 22 22 LYS H H 16 9.097 9.097 8.357 0.740 17610 15314 1 17 . 1 1 23 23 SER N N 17 121.228 121.228 115.725 5.503 17610 15315 1 17 . 1 1 23 23 SER HA H 17 4.292 4.292 4.437 -0.145 17610 15316 1 17 . 1 1 23 23 SER C C 17 175.697 175.697 175.699 -0.002 17610 15317 1 17 . 1 1 23 23 SER CA C 17 61.346 61.346 60.646 0.700 17610 15318 1 17 . 1 1 23 23 SER CB C 17 61.337 61.337 62.749 -1.412 17610 15319 1 17 . 1 1 23 23 SER H H 17 9.546 9.546 8.736 0.810 17610 15320 1 17 . 1 1 24 24 ALA N N 18 126.557 126.557 123.289 3.268 17610 15321 1 17 . 1 1 24 24 ALA HA H 18 3.946 3.946 4.125 -0.179 17610 15322 1 17 . 1 1 24 24 ALA C C 18 181.834 181.834 178.713 3.121 17610 15323 1 17 . 1 1 24 24 ALA CA C 18 54.587 54.587 53.588 0.999 17610 15324 1 17 . 1 1 24 24 ALA CB C 18 18.539 18.539 18.526 0.012 17610 15325 1 17 . 1 1 24 24 ALA H H 18 9.189 9.189 8.127 1.062 17610 15326 1 17 . 1 1 25 25 LEU N N 19 121.712 121.712 118.634 3.078 17610 15327 1 17 . 1 1 25 25 LEU HA H 19 3.878 3.878 4.245 -0.367 17610 15328 1 17 . 1 1 25 25 LEU C C 19 177.485 177.485 178.687 -1.202 17610 15329 1 17 . 1 1 25 25 LEU CA C 19 58.729 58.729 57.639 1.090 17610 15330 1 17 . 1 1 25 25 LEU CB C 19 43.227 43.227 42.175 1.052 17610 15331 1 17 . 1 1 25 25 LEU H H 19 8.817 8.817 7.591 1.226 17610 15332 1 17 . 1 1 26 26 THR N N 20 118.148 118.148 115.817 2.331 17610 15333 1 17 . 1 1 26 26 THR HA H 20 3.401 3.401 3.878 -0.477 17610 15334 1 17 . 1 1 26 26 THR C C 20 175.714 175.714 176.279 -0.565 17610 15335 1 17 . 1 1 26 26 THR CA C 20 68.122 68.122 65.893 2.229 17610 15336 1 17 . 1 1 26 26 THR CB C 20 68.196 68.196 68.437 -0.241 17610 15337 1 17 . 1 1 26 26 THR H H 20 7.517 7.517 7.558 -0.041 17610 15338 1 17 . 1 1 27 27 ILE N N 21 121.987 121.987 121.975 0.012 17610 15339 1 17 . 1 1 27 27 ILE HA H 21 3.302 3.302 3.469 -0.167 17610 15340 1 17 . 1 1 27 27 ILE C C 21 175.380 175.380 177.484 -2.104 17610 15341 1 17 . 1 1 27 27 ILE CA C 21 64.278 64.278 65.026 -0.748 17610 15342 1 17 . 1 1 27 27 ILE CB C 21 36.758 36.758 37.717 -0.959 17610 15343 1 17 . 1 1 27 27 ILE H H 21 8.950 8.950 7.389 1.561 17610 15344 1 17 . 1 1 28 28 GLN N N 22 121.898 121.898 118.605 3.293 17610 15345 1 17 . 1 1 28 28 GLN HA H 22 4.334 4.334 4.066 0.268 17610 15346 1 17 . 1 1 28 28 GLN C C 22 179.058 179.058 178.093 0.965 17610 15347 1 17 . 1 1 28 28 GLN CA C 22 58.796 58.796 58.697 0.100 17610 15348 1 17 . 1 1 28 28 GLN CB C 22 29.752 29.752 28.390 1.361 17610 15349 1 17 . 1 1 28 28 GLN H H 22 8.094 8.094 7.604 0.490 17610 15350 1 17 . 1 1 29 29 LEU N N 23 121.426 121.426 119.208 2.218 17610 15351 1 17 . 1 1 29 29 LEU HA H 23 3.765 3.765 4.000 -0.235 17610 15352 1 17 . 1 1 29 29 LEU C C 23 178.155 178.155 178.218 -0.063 17610 15353 1 17 . 1 1 29 29 LEU CA C 23 58.304 58.304 57.549 0.755 17610 15354 1 17 . 1 1 29 29 LEU CB C 23 40.637 40.637 42.098 -1.461 17610 15355 1 17 . 1 1 29 29 LEU H H 23 7.746 7.746 7.471 0.275 17610 15356 1 17 . 1 1 30 30 ILE N N 24 115.325 115.325 115.111 0.214 17610 15357 1 17 . 1 1 30 30 ILE HA H 24 3.697 3.697 3.678 0.019 17610 15358 1 17 . 1 1 30 30 ILE C C 24 177.421 177.421 177.219 0.202 17610 15359 1 17 . 1 1 30 30 ILE CA C 24 62.050 62.050 63.837 -1.787 17610 15360 1 17 . 1 1 30 30 ILE CB C 24 37.183 37.183 37.988 -0.805 17610 15361 1 17 . 1 1 30 30 ILE H H 24 8.115 8.115 7.674 0.441 17610 15362 1 17 . 1 1 31 31 GLN N N 25 117.213 117.213 116.790 0.423 17610 15363 1 17 . 1 1 31 31 GLN HA H 25 4.539 4.539 4.369 0.170 17610 15364 1 17 . 1 1 31 31 GLN C C 25 176.149 176.149 174.775 1.374 17610 15365 1 17 . 1 1 31 31 GLN CA C 25 55.234 55.234 55.674 -0.440 17610 15366 1 17 . 1 1 31 31 GLN CB C 25 30.184 30.184 31.066 -0.881 17610 15367 1 17 . 1 1 31 31 GLN H H 25 8.887 8.887 8.207 0.680 17610 15368 1 17 . 1 1 32 32 ASN N N 26 117.820 117.820 116.998 0.822 17610 15369 1 17 . 1 1 32 32 ASN HA H 26 4.807 4.807 5.080 -0.273 17610 15370 1 17 . 1 1 32 32 ASN C C 26 174.051 174.051 174.159 -0.108 17610 15371 1 17 . 1 1 32 32 ASN CA C 26 54.310 54.310 53.892 0.418 17610 15372 1 17 . 1 1 32 32 ASN CB C 26 37.184 37.184 38.633 -1.449 17610 15373 1 17 . 1 1 32 32 ASN H H 26 7.982 7.982 8.566 -0.584 17610 15374 1 17 . 1 1 33 33 HIS N N 27 112.968 112.968 116.983 -4.015 17610 15375 1 17 . 1 1 33 33 HIS HA H 27 4.889 4.889 4.606 0.283 17610 15376 1 17 . 1 1 33 33 HIS C C 27 172.514 172.514 174.853 -2.339 17610 15377 1 17 . 1 1 33 33 HIS CA C 27 54.314 54.314 55.675 -1.361 17610 15378 1 17 . 1 1 33 33 HIS CB C 27 32.616 32.616 30.593 2.023 17610 15379 1 17 . 1 1 33 33 HIS H H 27 6.804 6.804 8.195 -1.391 17610 15380 1 17 . 1 1 34 34 PHE N N 28 123.605 123.605 119.163 4.442 17610 15381 1 17 . 1 1 34 34 PHE HA H 28 4.914 4.914 4.065 0.849 17610 15382 1 17 . 1 1 34 34 PHE C C 28 174.641 174.641 173.151 1.490 17610 15383 1 17 . 1 1 34 34 PHE CA C 28 55.754 55.754 57.906 -2.152 17610 15384 1 17 . 1 1 34 34 PHE CB C 28 40.573 40.573 38.005 2.568 17610 15385 1 17 . 1 1 34 34 PHE H H 28 8.462 8.462 7.755 0.707 17610 15386 1 17 . 1 1 35 35 VAL N N 29 126.695 126.695 125.525 1.170 17610 15387 1 17 . 1 1 35 35 VAL HA H 29 3.911 3.911 3.800 0.111 17610 15388 1 17 . 1 1 35 35 VAL C C 29 173.764 173.764 175.659 -1.895 17610 15389 1 17 . 1 1 35 35 VAL CA C 29 61.275 61.275 62.356 -1.081 17610 15390 1 17 . 1 1 35 35 VAL CB C 29 33.154 33.154 32.594 0.560 17610 15391 1 17 . 1 1 35 35 VAL H H 29 7.537 7.537 7.620 -0.083 17610 15392 1 17 . 1 1 36 36 ASP N N 30 123.271 123.271 125.641 -2.370 17610 15393 1 17 . 1 1 36 36 ASP HA H 30 4.185 4.185 4.296 -0.111 17610 15394 1 17 . 1 1 36 36 ASP C C 30 176.129 176.129 175.819 0.310 17610 15395 1 17 . 1 1 36 36 ASP CA C 30 54.662 54.662 55.970 -1.308 17610 15396 1 17 . 1 1 36 36 ASP CB C 30 41.323 41.323 41.644 -0.320 17610 15397 1 17 . 1 1 36 36 ASP H H 30 7.618 7.618 8.479 -0.861 17610 15398 1 17 . 1 1 37 37 GLU N N 31 119.730 119.730 117.286 2.444 17610 15399 1 17 . 1 1 37 37 GLU HA H 31 4.262 4.262 4.402 -0.140 17610 15400 1 17 . 1 1 37 37 GLU C C 31 174.901 174.901 174.778 0.123 17610 15401 1 17 . 1 1 37 37 GLU CA C 31 56.137 56.137 56.475 -0.338 17610 15402 1 17 . 1 1 37 37 GLU CB C 31 30.459 30.459 28.247 2.212 17610 15403 1 17 . 1 1 37 37 GLU H H 31 7.857 7.857 8.089 -0.232 17610 15404 1 17 . 1 1 38 38 TYR N N 32 123.296 123.296 120.512 2.784 17610 15405 1 17 . 1 1 38 38 TYR HA H 32 4.486 4.486 4.839 -0.353 17610 15406 1 17 . 1 1 38 38 TYR C C 32 174.370 174.370 173.729 0.641 17610 15407 1 17 . 1 1 38 38 TYR CA C 32 57.511 57.511 57.615 -0.104 17610 15408 1 17 . 1 1 38 38 TYR CB C 32 39.199 39.199 40.667 -1.468 17610 15409 1 17 . 1 1 38 38 TYR H H 32 8.244 8.244 7.899 0.345 17610 15410 1 17 . 1 1 39 39 ASP N N 33 127.452 127.452 121.690 5.762 17610 15411 1 17 . 1 1 39 39 ASP HA H 33 4.891 4.891 4.495 0.396 17610 15412 1 17 . 1 1 39 39 ASP CA C 33 51.207 51.207 51.496 -0.289 17610 15413 1 17 . 1 1 39 39 ASP CB C 33 41.837 41.837 41.849 -0.012 17610 15414 1 17 . 1 1 39 39 ASP H H 33 8.158 8.158 8.172 -0.014 17610 15415 1 17 . 1 1 40 40 PRO HA H 34 4.405 4.405 4.435 -0.030 17610 15416 1 17 . 1 1 40 40 PRO C C 34 176.938 176.938 176.338 0.600 17610 15417 1 17 . 1 1 40 40 PRO CA C 34 63.068 63.068 62.697 0.371 17610 15418 1 17 . 1 1 40 40 PRO CB C 34 32.089 32.089 30.375 1.714 17610 15419 1 17 . 1 1 41 41 SER N N 35 117.575 117.575 113.286 4.289 17610 15420 1 17 . 1 1 41 41 SER HA H 35 4.433 4.433 4.068 0.365 17610 15421 1 17 . 1 1 41 41 SER C C 35 174.777 174.777 173.929 0.848 17610 15422 1 17 . 1 1 41 41 SER CA C 35 58.346 58.346 58.862 -0.516 17610 15423 1 17 . 1 1 41 41 SER CB C 35 63.704 63.704 62.573 1.131 17610 15424 1 17 . 1 1 41 41 SER H H 35 8.495 8.495 8.100 0.395 17610 15425 1 17 . 1 1 42 42 ILE N N 36 123.018 123.018 115.755 7.263 17610 15426 1 17 . 1 1 42 42 ILE HA H 36 4.219 4.219 4.284 -0.065 17610 15427 1 17 . 1 1 42 42 ILE C C 36 175.966 175.966 175.720 0.246 17610 15428 1 17 . 1 1 42 42 ILE CA C 36 61.665 61.665 59.769 1.896 17610 15429 1 17 . 1 1 42 42 ILE CB C 36 38.745 38.745 39.643 -0.898 17610 15430 1 17 . 1 1 42 42 ILE H H 36 7.919 7.919 7.495 0.424 17610 15431 1 17 . 1 1 43 43 GLU N N 37 124.699 124.699 121.617 3.082 17610 15432 1 17 . 1 1 43 43 GLU HA H 37 4.381 4.381 4.199 0.182 17610 15433 1 17 . 1 1 43 43 GLU C C 37 179.069 179.069 175.799 3.270 17610 15434 1 17 . 1 1 43 43 GLU CA C 37 56.223 56.223 56.145 0.078 17610 15435 1 17 . 1 1 43 43 GLU CB C 37 30.616 30.616 29.174 1.442 17610 15436 1 17 . 1 1 43 43 GLU H H 37 8.201 8.201 8.579 -0.378 17610 15437 1 17 . 1 1 44 44 ASP N N 38 121.902 121.902 116.709 5.193 17610 15438 1 17 . 1 1 44 44 ASP HA H 38 4.622 4.622 4.169 0.453 17610 15439 1 17 . 1 1 44 44 ASP C C 38 174.634 174.634 174.670 -0.036 17610 15440 1 17 . 1 1 44 44 ASP CA C 38 54.095 54.095 55.342 -1.247 17610 15441 1 17 . 1 1 44 44 ASP CB C 38 41.837 41.837 40.147 1.690 17610 15442 1 17 . 1 1 44 44 ASP H H 38 8.094 8.094 8.245 -0.151 17610 15443 1 17 . 1 1 45 45 SER N N 39 114.779 114.779 112.717 2.062 17610 15444 1 17 . 1 1 45 45 SER HA H 39 4.923 4.923 4.811 0.112 17610 15445 1 17 . 1 1 45 45 SER C C 39 173.339 173.339 173.076 0.263 17610 15446 1 17 . 1 1 45 45 SER CA C 39 57.023 57.023 57.379 -0.356 17610 15447 1 17 . 1 1 45 45 SER CB C 39 64.751 64.751 64.559 0.192 17610 15448 1 17 . 1 1 45 45 SER H H 39 7.792 7.792 7.236 0.556 17610 15449 1 17 . 1 1 46 46 TYR N N 40 124.235 124.235 123.802 0.433 17610 15450 1 17 . 1 1 46 46 TYR HA H 40 4.662 4.662 4.733 -0.071 17610 15451 1 17 . 1 1 46 46 TYR C C 40 173.910 173.910 173.728 0.182 17610 15452 1 17 . 1 1 46 46 TYR CA C 40 56.944 56.944 56.611 0.333 17610 15453 1 17 . 1 1 46 46 TYR CB C 40 41.323 41.323 42.095 -0.772 17610 15454 1 17 . 1 1 46 46 TYR H H 40 8.976 8.976 9.164 -0.188 17610 15455 1 17 . 1 1 47 47 ARG N N 41 121.906 121.906 119.445 2.461 17610 15456 1 17 . 1 1 47 47 ARG HA H 41 5.802 5.802 5.286 0.516 17610 15457 1 17 . 1 1 47 47 ARG C C 41 176.150 176.150 175.327 0.823 17610 15458 1 17 . 1 1 47 47 ARG CA C 41 54.129 54.129 54.644 -0.514 17610 15459 1 17 . 1 1 47 47 ARG CB C 41 34.105 34.105 33.450 0.655 17610 15460 1 17 . 1 1 47 47 ARG H H 41 8.238 8.238 8.600 -0.362 17610 15461 1 17 . 1 1 48 48 LYS N N 42 123.924 123.924 121.948 1.976 17610 15462 1 17 . 1 1 48 48 LYS HA H 42 4.508 4.508 4.659 -0.151 17610 15463 1 17 . 1 1 48 48 LYS C C 42 173.710 173.710 174.737 -1.027 17610 15464 1 17 . 1 1 48 48 LYS CA C 42 55.651 55.651 54.011 1.639 17610 15465 1 17 . 1 1 48 48 LYS CB C 42 38.139 38.139 36.639 1.500 17610 15466 1 17 . 1 1 48 48 LYS H H 42 8.705 8.705 8.629 0.076 17610 15467 1 17 . 1 1 49 49 GLN N N 43 130.301 130.301 125.577 4.724 17610 15468 1 17 . 1 1 49 49 GLN HA H 43 5.230 5.230 4.567 0.663 17610 15469 1 17 . 1 1 49 49 GLN C C 43 175.254 175.254 174.795 0.459 17610 15470 1 17 . 1 1 49 49 GLN CA C 43 55.496 55.496 55.245 0.251 17610 15471 1 17 . 1 1 49 49 GLN CB C 43 29.892 29.892 29.961 -0.069 17610 15472 1 17 . 1 1 49 49 GLN H H 43 8.897 8.897 8.663 0.234 17610 15473 1 17 . 1 1 50 50 VAL N N 44 122.354 122.354 120.837 1.517 17610 15474 1 17 . 1 1 50 50 VAL HA H 44 4.772 4.772 4.692 0.080 17610 15475 1 17 . 1 1 50 50 VAL C C 44 173.116 173.116 173.248 -0.132 17610 15476 1 17 . 1 1 50 50 VAL CA C 44 59.238 59.238 59.359 -0.121 17610 15477 1 17 . 1 1 50 50 VAL CB C 44 35.888 35.888 35.619 0.269 17610 15478 1 17 . 1 1 50 50 VAL H H 44 9.104 9.104 8.586 0.518 17610 15479 1 17 . 1 1 51 51 VAL N N 45 122.385 122.385 120.295 2.090 17610 15480 1 17 . 1 1 51 51 VAL HA H 45 4.462 4.462 4.425 0.037 17610 15481 1 17 . 1 1 51 51 VAL C C 45 175.450 175.450 175.552 -0.102 17610 15482 1 17 . 1 1 51 51 VAL CA C 45 61.832 61.832 61.205 0.627 17610 15483 1 17 . 1 1 51 51 VAL CB C 45 32.228 32.228 31.864 0.364 17610 15484 1 17 . 1 1 51 51 VAL H H 45 8.100 8.100 8.430 -0.330 17610 15485 1 17 . 1 1 52 52 ILE N N 46 126.953 126.953 128.969 -2.016 17610 15486 1 17 . 1 1 52 52 ILE HA H 46 3.995 3.995 3.855 0.140 17610 15487 1 17 . 1 1 52 52 ILE C C 46 176.424 176.424 175.507 0.917 17610 15488 1 17 . 1 1 52 52 ILE CA C 46 60.343 60.343 60.247 0.096 17610 15489 1 17 . 1 1 52 52 ILE CB C 46 40.096 40.096 36.149 3.947 17610 15490 1 17 . 1 1 52 52 ILE H H 46 8.118 8.118 8.335 -0.217 17610 15491 1 17 . 1 1 53 53 ASP N N 47 132.206 132.206 127.212 4.994 17610 15492 1 17 . 1 1 53 53 ASP HA H 47 4.267 4.267 4.348 -0.081 17610 15493 1 17 . 1 1 53 53 ASP C C 47 176.121 176.121 176.288 -0.167 17610 15494 1 17 . 1 1 53 53 ASP CA C 47 55.267 55.267 54.823 0.444 17610 15495 1 17 . 1 1 53 53 ASP CB C 47 39.203 39.203 40.361 -1.158 17610 15496 1 17 . 1 1 53 53 ASP H H 47 9.605 9.605 8.457 1.148 17610 15497 1 17 . 1 1 54 54 GLY N N 48 104.275 104.275 105.392 -1.117 17610 15498 1 17 . 1 1 54 54 GLY C C 48 173.219 173.219 173.119 0.100 17610 15499 1 17 . 1 1 54 54 GLY CA C 48 45.318 45.318 45.607 -0.289 17610 15500 1 17 . 1 1 54 54 GLY H H 48 8.332 8.332 8.233 0.099 17610 15501 1 17 . 1 1 55 55 GLU N N 49 123.384 123.384 119.300 4.084 17610 15502 1 17 . 1 1 55 55 GLU HA H 49 4.691 4.691 4.596 0.095 17610 15503 1 17 . 1 1 55 55 GLU C C 49 175.614 175.614 175.121 0.493 17610 15504 1 17 . 1 1 55 55 GLU CA C 49 54.719 54.719 54.341 0.378 17610 15505 1 17 . 1 1 55 55 GLU CB C 49 31.803 31.803 31.612 0.191 17610 15506 1 17 . 1 1 55 55 GLU H H 49 7.684 7.684 7.972 -0.288 17610 15507 1 17 . 1 1 56 56 THR N N 50 127.153 127.153 123.733 3.420 17610 15508 1 17 . 1 1 56 56 THR HA H 50 4.727 4.727 4.497 0.230 17610 15509 1 17 . 1 1 56 56 THR C C 50 173.530 173.530 174.209 -0.679 17610 15510 1 17 . 1 1 56 56 THR CA C 50 63.521 63.521 64.676 -1.155 17610 15511 1 17 . 1 1 56 56 THR CB C 50 68.478 68.478 68.969 -0.491 17610 15512 1 17 . 1 1 56 56 THR H H 50 8.951 8.951 8.665 0.286 17610 15513 1 17 . 1 1 57 57 CYS N N 51 124.835 124.835 124.575 0.260 17610 15514 1 17 . 1 1 57 57 CYS HA H 51 5.086 5.086 4.707 0.379 17610 15515 1 17 . 1 1 57 57 CYS C C 51 170.937 170.937 172.855 -1.918 17610 15516 1 17 . 1 1 57 57 CYS CA C 51 56.423 56.423 57.831 -1.408 17610 15517 1 17 . 1 1 57 57 CYS CB C 51 31.549 31.549 31.702 -0.153 17610 15518 1 17 . 1 1 57 57 CYS H H 51 9.424 9.424 9.158 0.266 17610 15519 1 17 . 1 1 58 58 LEU N N 52 123.111 123.111 122.916 0.195 17610 15520 1 17 . 1 1 58 58 LEU HA H 52 4.943 4.943 4.884 0.059 17610 15521 1 17 . 1 1 58 58 LEU C C 52 175.044 175.044 175.737 -0.693 17610 15522 1 17 . 1 1 58 58 LEU CA C 52 53.372 53.372 54.045 -0.673 17610 15523 1 17 . 1 1 58 58 LEU CB C 52 44.304 44.304 43.622 0.682 17610 15524 1 17 . 1 1 58 58 LEU H H 52 8.803 8.803 9.002 -0.199 17610 15525 1 17 . 1 1 59 59 LEU N N 53 124.540 124.540 124.895 -0.355 17610 15526 1 17 . 1 1 59 59 LEU HA H 53 4.888 4.888 4.697 0.191 17610 15527 1 17 . 1 1 59 59 LEU C C 53 174.358 174.358 175.241 -0.883 17610 15528 1 17 . 1 1 59 59 LEU CA C 53 53.490 53.490 53.886 -0.396 17610 15529 1 17 . 1 1 59 59 LEU CB C 53 42.195 42.195 42.671 -0.476 17610 15530 1 17 . 1 1 59 59 LEU H H 53 9.054 9.054 9.210 -0.156 17610 15531 1 17 . 1 1 60 60 ASP N N 54 126.666 126.666 126.170 0.496 17610 15532 1 17 . 1 1 60 60 ASP HA H 54 5.225 5.225 4.939 0.286 17610 15533 1 17 . 1 1 60 60 ASP C C 54 174.846 174.846 175.537 -0.691 17610 15534 1 17 . 1 1 60 60 ASP CA C 54 53.040 53.040 54.380 -1.340 17610 15535 1 17 . 1 1 60 60 ASP CB C 54 42.622 42.622 40.603 2.019 17610 15536 1 17 . 1 1 60 60 ASP H H 54 8.739 8.739 8.984 -0.245 17610 15537 1 17 . 1 1 61 61 ILE N N 55 125.100 125.100 123.743 1.357 17610 15538 1 17 . 1 1 61 61 ILE HA H 55 4.690 4.690 4.199 0.491 17610 15539 1 17 . 1 1 61 61 ILE C C 55 174.745 174.745 174.605 0.140 17610 15540 1 17 . 1 1 61 61 ILE CA C 55 60.331 60.331 59.101 1.230 17610 15541 1 17 . 1 1 61 61 ILE CB C 55 39.682 39.682 37.015 2.667 17610 15542 1 17 . 1 1 61 61 ILE H H 55 9.115 9.115 9.025 0.090 17610 15543 1 17 . 1 1 62 62 LEU N N 56 131.208 131.208 128.917 2.291 17610 15544 1 17 . 1 1 62 62 LEU HA H 56 4.667 4.667 4.659 0.008 17610 15545 1 17 . 1 1 62 62 LEU C C 56 174.063 174.063 174.082 -0.019 17610 15546 1 17 . 1 1 62 62 LEU CA C 56 53.795 53.795 53.645 0.150 17610 15547 1 17 . 1 1 62 62 LEU CB C 56 42.256 42.256 44.495 -2.239 17610 15548 1 17 . 1 1 62 62 LEU H H 56 9.014 9.014 8.473 0.541 17610 15549 1 17 . 1 1 63 63 ASP N N 57 128.415 128.415 127.582 0.833 17610 15550 1 17 . 1 1 63 63 ASP HA H 57 4.783 4.783 4.845 -0.062 17610 15551 1 17 . 1 1 63 63 ASP C C 57 176.341 176.341 175.943 0.398 17610 15552 1 17 . 1 1 63 63 ASP CA C 57 52.988 52.988 52.855 0.133 17610 15553 1 17 . 1 1 63 63 ASP CB C 57 41.837 41.837 42.640 -0.803 17610 15554 1 17 . 1 1 63 63 ASP H H 57 8.657 8.657 8.591 0.066 17610 15555 1 17 . 1 1 64 64 THR N N 58 114.950 114.950 116.693 -1.743 17610 15556 1 17 . 1 1 64 64 THR HA H 58 4.425 4.425 4.202 0.223 17610 15557 1 17 . 1 1 64 64 THR C C 58 172.734 172.734 174.223 -1.489 17610 15558 1 17 . 1 1 64 64 THR CA C 58 61.488 61.488 61.318 0.170 17610 15559 1 17 . 1 1 64 64 THR CB C 58 71.398 71.398 69.702 1.696 17610 15560 1 17 . 1 1 64 64 THR H H 58 7.369 7.369 7.908 -0.539 17610 15561 1 17 . 1 1 65 65 ALA N N 59 123.940 123.940 121.916 2.024 17610 15562 1 17 . 1 1 65 65 ALA HA H 59 4.764 4.764 4.392 0.372 17610 15563 1 17 . 1 1 65 65 ALA C C 59 179.480 179.480 178.021 1.459 17610 15564 1 17 . 1 1 65 65 ALA CA C 59 51.422 51.422 52.153 -0.731 17610 15565 1 17 . 1 1 65 65 ALA CB C 59 20.796 20.796 19.383 1.413 17610 15566 1 17 . 1 1 65 65 ALA H H 59 8.329 8.329 8.164 0.165 17610 15567 1 17 . 1 1 66 66 GLY N N 60 112.527 112.527 108.750 3.777 17610 15568 1 17 . 1 1 66 66 GLY C C 60 174.938 174.938 174.557 0.381 17610 15569 1 17 . 1 1 66 66 GLY CA C 60 46.057 46.057 45.691 0.366 17610 15570 1 17 . 1 1 66 66 GLY H H 60 9.397 9.397 8.800 0.597 17610 15571 1 17 . 1 1 67 67 GLN N N 61 120.877 120.877 119.499 1.378 17610 15572 1 17 . 1 1 67 67 GLN HA H 61 4.422 4.422 4.379 0.043 17610 15573 1 17 . 1 1 67 67 GLN C C 61 176.298 176.298 176.075 0.223 17610 15574 1 17 . 1 1 67 67 GLN CA C 61 56.355 56.355 55.148 1.208 17610 15575 1 17 . 1 1 67 67 GLN CB C 61 29.438 29.438 29.681 -0.243 17610 15576 1 17 . 1 1 67 67 GLN H H 61 8.237 8.237 7.692 0.545 17610 15577 1 17 . 1 1 68 68 GLU N N 62 123.751 123.751 118.029 5.722 17610 15578 1 17 . 1 1 68 68 GLU HA H 62 4.208 4.208 4.043 0.165 17610 15579 1 17 . 1 1 68 68 GLU C C 62 177.032 177.032 175.576 1.456 17610 15580 1 17 . 1 1 68 68 GLU CA C 62 57.801 57.801 57.298 0.503 17610 15581 1 17 . 1 1 68 68 GLU CB C 62 29.834 29.834 29.767 0.067 17610 15582 1 17 . 1 1 68 68 GLU H H 62 8.738 8.738 8.601 0.137 17610 15583 1 17 . 1 1 69 69 GLU N N 63 121.861 121.861 120.238 1.623 17610 15584 1 17 . 1 1 69 69 GLU HA H 63 4.228 4.228 4.512 -0.284 17610 15585 1 17 . 1 1 69 69 GLU C C 63 176.145 176.145 175.282 0.863 17610 15586 1 17 . 1 1 69 69 GLU CA C 63 57.026 57.026 55.768 1.258 17610 15587 1 17 . 1 1 69 69 GLU CB C 63 30.231 30.231 29.519 0.712 17610 15588 1 17 . 1 1 69 69 GLU H H 63 8.607 8.607 8.386 0.221 17610 15589 1 17 . 1 1 70 70 TYR N N 64 121.801 121.801 121.286 0.515 17610 15590 1 17 . 1 1 70 70 TYR HA H 64 4.587 4.587 4.544 0.043 17610 15591 1 17 . 1 1 70 70 TYR C C 64 175.965 175.965 175.947 0.018 17610 15592 1 17 . 1 1 70 70 TYR CA C 64 58.160 58.160 57.535 0.625 17610 15593 1 17 . 1 1 70 70 TYR CB C 64 38.288 38.288 38.626 -0.338 17610 15594 1 17 . 1 1 70 70 TYR H H 64 8.225 8.225 8.062 0.163 17610 15595 1 17 . 1 1 71 71 SER N N 65 120.137 120.137 122.906 -2.769 17610 15596 1 17 . 1 1 71 71 SER HA H 65 4.269 4.269 4.426 -0.157 17610 15597 1 17 . 1 1 71 71 SER C C 65 174.912 174.912 175.613 -0.701 17610 15598 1 17 . 1 1 71 71 SER CA C 65 58.755 58.755 58.921 -0.166 17610 15599 1 17 . 1 1 71 71 SER CB C 65 63.755 63.755 64.701 -0.946 17610 15600 1 17 . 1 1 71 71 SER H H 65 7.884 7.884 8.960 -1.076 17610 15601 1 17 . 1 1 72 72 ALA N N 66 127.848 127.848 126.905 0.943 17610 15602 1 17 . 1 1 72 72 ALA HA H 66 4.193 4.193 4.102 0.091 17610 15603 1 17 . 1 1 72 72 ALA C C 66 179.820 179.820 179.715 0.105 17610 15604 1 17 . 1 1 72 72 ALA CA C 66 54.595 54.595 55.028 -0.433 17610 15605 1 17 . 1 1 72 72 ALA CB C 66 18.264 18.264 18.256 0.008 17610 15606 1 17 . 1 1 72 72 ALA H H 66 8.706 8.706 8.617 0.089 17610 15607 1 17 . 1 1 73 73 MET N N 67 118.448 118.448 116.433 2.015 17610 15608 1 17 . 1 1 73 73 MET HA H 67 4.271 4.271 3.772 0.499 17610 15609 1 17 . 1 1 73 73 MET C C 67 177.098 177.098 177.660 -0.562 17610 15610 1 17 . 1 1 73 73 MET CA C 67 56.915 56.915 58.337 -1.422 17610 15611 1 17 . 1 1 73 73 MET CB C 67 32.031 32.031 31.748 0.283 17610 15612 1 17 . 1 1 73 73 MET H H 67 8.007 8.007 8.152 -0.145 17610 15613 1 17 . 1 1 74 74 ARG N N 68 121.351 121.351 119.344 2.007 17610 15614 1 17 . 1 1 74 74 ARG HA H 68 3.793 3.793 4.060 -0.267 17610 15615 1 17 . 1 1 74 74 ARG C C 68 177.730 177.730 178.723 -0.993 17610 15616 1 17 . 1 1 74 74 ARG CA C 68 59.093 59.093 59.776 -0.683 17610 15617 1 17 . 1 1 74 74 ARG CB C 68 30.118 30.118 29.446 0.672 17610 15618 1 17 . 1 1 74 74 ARG H H 68 7.761 7.761 8.258 -0.497 17610 15619 1 17 . 1 1 75 75 ASP N N 69 119.938 119.938 117.515 2.423 17610 15620 1 17 . 1 1 75 75 ASP HA H 69 4.286 4.286 4.414 -0.128 17610 15621 1 17 . 1 1 75 75 ASP C C 69 177.998 177.998 178.357 -0.359 17610 15622 1 17 . 1 1 75 75 ASP CA C 69 57.555 57.555 57.482 0.073 17610 15623 1 17 . 1 1 75 75 ASP CB C 69 40.401 40.401 40.712 -0.311 17610 15624 1 17 . 1 1 75 75 ASP H H 69 8.077 8.077 8.069 0.008 17610 15625 1 17 . 1 1 76 76 GLN N N 70 119.151 119.151 119.547 -0.396 17610 15626 1 17 . 1 1 76 76 GLN HA H 70 4.050 4.050 4.065 -0.015 17610 15627 1 17 . 1 1 76 76 GLN C C 70 178.837 178.837 178.022 0.815 17610 15628 1 17 . 1 1 76 76 GLN CA C 70 58.920 58.920 58.053 0.867 17610 15629 1 17 . 1 1 76 76 GLN CB C 70 28.063 28.063 27.802 0.261 17610 15630 1 17 . 1 1 76 76 GLN H H 70 7.789 7.789 7.208 0.581 17610 15631 1 17 . 1 1 77 77 TYR N N 71 119.847 119.847 118.987 0.860 17610 15632 1 17 . 1 1 77 77 TYR HA H 71 4.548 4.548 4.488 0.060 17610 15633 1 17 . 1 1 77 77 TYR C C 71 178.680 178.680 178.593 0.087 17610 15634 1 17 . 1 1 77 77 TYR CA C 71 58.785 58.785 59.410 -0.625 17610 15635 1 17 . 1 1 77 77 TYR CB C 71 36.986 36.986 38.168 -1.182 17610 15636 1 17 . 1 1 77 77 TYR H H 71 8.131 8.131 7.983 0.148 17610 15637 1 17 . 1 1 78 78 MET N N 72 119.987 119.987 118.007 1.980 17610 15638 1 17 . 1 1 78 78 MET HA H 72 4.402 4.402 4.418 -0.016 17610 15639 1 17 . 1 1 78 78 MET C C 72 177.008 177.008 179.074 -2.066 17610 15640 1 17 . 1 1 78 78 MET CA C 72 59.028 59.028 60.074 -1.046 17610 15641 1 17 . 1 1 78 78 MET CB C 72 32.709 32.709 32.489 0.220 17610 15642 1 17 . 1 1 78 78 MET H H 72 8.380 8.380 8.680 -0.300 17610 15643 1 17 . 1 1 79 79 ARG N N 73 117.792 117.792 115.226 2.566 17610 15644 1 17 . 1 1 79 79 ARG HA H 73 3.914 3.914 4.190 -0.276 17610 15645 1 17 . 1 1 79 79 ARG C C 73 178.169 178.169 177.582 0.587 17610 15646 1 17 . 1 1 79 79 ARG CA C 73 59.493 59.493 58.683 0.810 17610 15647 1 17 . 1 1 79 79 ARG CB C 73 30.100 30.100 30.321 -0.221 17610 15648 1 17 . 1 1 79 79 ARG H H 73 7.992 7.992 7.801 0.191 17610 15649 1 17 . 1 1 80 80 THR N N 74 110.012 110.012 107.632 2.380 17610 15650 1 17 . 1 1 80 80 THR HA H 74 4.242 4.242 4.442 -0.200 17610 15651 1 17 . 1 1 80 80 THR C C 74 175.640 175.640 174.941 0.699 17610 15652 1 17 . 1 1 80 80 THR CA C 74 62.863 62.863 61.811 1.052 17610 15653 1 17 . 1 1 80 80 THR CB C 74 69.808 69.808 70.205 -0.397 17610 15654 1 17 . 1 1 80 80 THR H H 74 7.718 7.718 7.612 0.106 17610 15655 1 17 . 1 1 81 81 GLY N N 75 109.297 109.297 109.711 -0.414 17610 15656 1 17 . 1 1 81 81 GLY C C 75 172.419 172.419 174.269 -1.850 17610 15657 1 17 . 1 1 81 81 GLY CA C 75 46.504 46.504 44.064 2.440 17610 15658 1 17 . 1 1 81 81 GLY H H 75 7.852 7.852 7.680 0.172 17610 15659 1 17 . 1 1 82 82 GLU N N 76 122.399 122.399 123.928 -1.529 17610 15660 1 17 . 1 1 82 82 GLU HA H 76 4.523 4.523 4.091 0.432 17610 15661 1 17 . 1 1 82 82 GLU C C 76 176.409 176.409 176.157 0.252 17610 15662 1 17 . 1 1 82 82 GLU CA C 76 56.469 56.469 58.505 -2.036 17610 15663 1 17 . 1 1 82 82 GLU CB C 76 32.049 32.049 30.365 1.684 17610 15664 1 17 . 1 1 82 82 GLU H H 76 8.879 8.879 8.589 0.290 17610 15665 1 17 . 1 1 83 83 GLY N N 77 102.282 102.282 103.629 -1.347 17610 15666 1 17 . 1 1 83 83 GLY C C 77 170.803 170.803 171.712 -0.909 17610 15667 1 17 . 1 1 83 83 GLY CA C 77 45.453 45.453 44.733 0.720 17610 15668 1 17 . 1 1 83 83 GLY H H 77 7.192 7.192 7.258 -0.066 17610 15669 1 17 . 1 1 84 84 PHE N N 78 122.648 122.648 116.746 5.902 17610 15670 1 17 . 1 1 84 84 PHE HA H 78 5.448 5.448 5.315 0.133 17610 15671 1 17 . 1 1 84 84 PHE C C 78 173.734 173.734 173.996 -0.262 17610 15672 1 17 . 1 1 84 84 PHE CA C 78 57.065 57.065 57.089 -0.024 17610 15673 1 17 . 1 1 84 84 PHE CB C 78 42.997 42.997 43.977 -0.980 17610 15674 1 17 . 1 1 84 84 PHE H H 78 8.224 8.224 8.134 0.090 17610 15675 1 17 . 1 1 85 85 LEU N N 79 127.298 127.298 123.168 4.130 17610 15676 1 17 . 1 1 85 85 LEU HA H 79 4.690 4.690 5.271 -0.581 17610 15677 1 17 . 1 1 85 85 LEU C C 79 174.690 174.690 175.303 -0.613 17610 15678 1 17 . 1 1 85 85 LEU CA C 79 53.981 53.981 53.906 0.075 17610 15679 1 17 . 1 1 85 85 LEU CB C 79 43.058 43.058 46.208 -3.150 17610 15680 1 17 . 1 1 85 85 LEU H H 79 9.189 9.189 8.473 0.716 17610 15681 1 17 . 1 1 86 86 CYS N N 80 125.581 125.581 126.185 -0.604 17610 15682 1 17 . 1 1 86 86 CYS HA H 80 4.689 4.689 4.632 0.057 17610 15683 1 17 . 1 1 86 86 CYS C C 80 172.664 172.664 173.817 -1.153 17610 15684 1 17 . 1 1 86 86 CYS CA C 80 57.767 57.767 58.128 -0.361 17610 15685 1 17 . 1 1 86 86 CYS CB C 80 27.397 27.397 27.000 0.397 17610 15686 1 17 . 1 1 86 86 CYS H H 80 8.720 8.720 9.350 -0.630 17610 15687 1 17 . 1 1 87 87 VAL N N 81 127.252 127.252 127.938 -0.686 17610 15688 1 17 . 1 1 87 87 VAL HA H 81 4.983 4.983 4.577 0.406 17610 15689 1 17 . 1 1 87 87 VAL C C 81 175.119 175.119 174.978 0.141 17610 15690 1 17 . 1 1 87 87 VAL CA C 81 61.275 61.275 61.816 -0.541 17610 15691 1 17 . 1 1 87 87 VAL CB C 81 33.407 33.407 32.075 1.332 17610 15692 1 17 . 1 1 87 87 VAL H H 81 9.028 9.028 8.376 0.652 17610 15693 1 17 . 1 1 88 88 PHE N N 82 125.157 125.157 125.616 -0.459 17610 15694 1 17 . 1 1 88 88 PHE HA H 82 4.992 4.992 5.444 -0.452 17610 15695 1 17 . 1 1 88 88 PHE C C 82 171.162 171.162 173.534 -2.372 17610 15696 1 17 . 1 1 88 88 PHE CA C 82 55.349 55.349 54.388 0.961 17610 15697 1 17 . 1 1 88 88 PHE CB C 82 40.430 40.430 42.307 -1.877 17610 15698 1 17 . 1 1 88 88 PHE H H 82 9.306 9.306 8.463 0.843 17610 15699 1 17 . 1 1 89 89 ALA N N 83 122.321 122.321 124.779 -2.458 17610 15700 1 17 . 1 1 89 89 ALA HA H 83 5.082 5.082 4.803 0.279 17610 15701 1 17 . 1 1 89 89 ALA C C 83 179.267 179.267 179.141 0.126 17610 15702 1 17 . 1 1 89 89 ALA CA C 83 49.635 49.635 49.817 -0.182 17610 15703 1 17 . 1 1 89 89 ALA CB C 83 21.739 21.739 19.741 1.998 17610 15704 1 17 . 1 1 89 89 ALA H H 83 8.692 8.692 8.093 0.599 17610 15705 1 17 . 1 1 90 90 ILE N N 84 114.459 114.459 121.136 -6.677 17610 15706 1 17 . 1 1 90 90 ILE HA H 84 4.054 4.054 3.652 0.402 17610 15707 1 17 . 1 1 90 90 ILE C C 84 174.164 174.164 176.668 -2.504 17610 15708 1 17 . 1 1 90 90 ILE CA C 84 63.169 63.169 64.528 -1.359 17610 15709 1 17 . 1 1 90 90 ILE CB C 84 38.174 38.174 37.448 0.726 17610 15710 1 17 . 1 1 90 90 ILE H H 84 8.461 8.461 7.734 0.727 17610 15711 1 17 . 1 1 91 91 ASN N N 85 118.240 118.240 117.869 0.371 17610 15712 1 17 . 1 1 91 91 ASN HA H 85 5.049 5.049 4.577 0.472 17610 15713 1 17 . 1 1 91 91 ASN C C 85 174.583 174.583 174.795 -0.212 17610 15714 1 17 . 1 1 91 91 ASN CA C 85 52.161 52.161 54.992 -2.831 17610 15715 1 17 . 1 1 91 91 ASN CB C 85 38.132 38.132 38.649 -0.517 17610 15716 1 17 . 1 1 91 91 ASN H H 85 7.906 7.906 8.472 -0.566 17610 15717 1 17 . 1 1 92 92 ASN N N 86 120.345 120.345 117.768 2.577 17610 15718 1 17 . 1 1 92 92 ASN HA H 86 5.080 5.080 4.957 0.122 17610 15719 1 17 . 1 1 92 92 ASN C C 86 175.090 175.090 175.646 -0.556 17610 15720 1 17 . 1 1 92 92 ASN CA C 86 52.041 52.041 52.685 -0.644 17610 15721 1 17 . 1 1 92 92 ASN CB C 86 39.203 39.203 39.733 -0.530 17610 15722 1 17 . 1 1 92 92 ASN H H 86 7.931 7.931 7.644 0.287 17610 15723 1 17 . 1 1 93 93 THR N N 87 125.665 125.665 121.229 4.436 17610 15724 1 17 . 1 1 93 93 THR HA H 87 3.772 3.772 4.196 -0.424 17610 15725 1 17 . 1 1 93 93 THR C C 87 176.012 176.012 175.972 0.040 17610 15726 1 17 . 1 1 93 93 THR CA C 87 66.753 66.753 66.108 0.645 17610 15727 1 17 . 1 1 93 93 THR CB C 87 68.400 68.400 69.087 -0.687 17610 15728 1 17 . 1 1 93 93 THR H H 87 9.272 9.272 8.803 0.469 17610 15729 1 17 . 1 1 94 94 LYS N N 88 125.404 125.404 120.982 4.422 17610 15730 1 17 . 1 1 94 94 LYS HA H 88 4.186 4.186 3.976 0.210 17610 15731 1 17 . 1 1 94 94 LYS C C 88 178.027 178.027 178.435 -0.408 17610 15732 1 17 . 1 1 94 94 LYS CA C 88 59.359 59.359 59.862 -0.503 17610 15733 1 17 . 1 1 94 94 LYS CB C 88 31.292 31.292 31.797 -0.506 17610 15734 1 17 . 1 1 94 94 LYS H H 88 8.456 8.456 8.482 -0.026 17610 15735 1 17 . 1 1 95 95 SER N N 89 115.491 115.491 113.474 2.017 17610 15736 1 17 . 1 1 95 95 SER HA H 89 4.188 4.188 4.570 -0.382 17610 15737 1 17 . 1 1 95 95 SER C C 89 175.751 175.751 176.270 -0.519 17610 15738 1 17 . 1 1 95 95 SER CA C 89 61.751 61.751 60.982 0.769 17610 15739 1 17 . 1 1 95 95 SER CB C 89 63.530 63.530 63.041 0.488 17610 15740 1 17 . 1 1 95 95 SER H H 89 7.970 7.970 8.471 -0.501 17610 15741 1 17 . 1 1 96 96 PHE N N 90 125.899 125.899 121.260 4.639 17610 15742 1 17 . 1 1 96 96 PHE HA H 90 4.037 4.037 4.119 -0.082 17610 15743 1 17 . 1 1 96 96 PHE C C 90 177.267 177.267 176.687 0.580 17610 15744 1 17 . 1 1 96 96 PHE CA C 90 59.688 59.688 59.896 -0.208 17610 15745 1 17 . 1 1 96 96 PHE CB C 90 40.175 40.175 39.160 1.015 17610 15746 1 17 . 1 1 96 96 PHE H H 90 7.419 7.419 7.847 -0.428 17610 15747 1 17 . 1 1 97 97 GLU N N 91 122.834 122.834 118.381 4.453 17610 15748 1 17 . 1 1 97 97 GLU HA H 91 3.787 3.787 3.746 0.041 17610 15749 1 17 . 1 1 97 97 GLU C C 91 179.628 179.628 178.092 1.536 17610 15750 1 17 . 1 1 97 97 GLU CA C 91 59.004 59.004 59.585 -0.581 17610 15751 1 17 . 1 1 97 97 GLU CB C 91 29.261 29.261 29.407 -0.146 17610 15752 1 17 . 1 1 97 97 GLU H H 91 8.449 8.449 7.548 0.901 17610 15753 1 17 . 1 1 98 98 ASP N N 92 118.617 118.617 119.991 -1.374 17610 15754 1 17 . 1 1 98 98 ASP HA H 92 4.553 4.553 4.303 0.250 17610 15755 1 17 . 1 1 98 98 ASP C C 92 177.582 177.582 178.547 -0.965 17610 15756 1 17 . 1 1 98 98 ASP CA C 92 56.171 56.171 56.830 -0.659 17610 15757 1 17 . 1 1 98 98 ASP CB C 92 41.184 41.184 40.152 1.032 17610 15758 1 17 . 1 1 98 98 ASP H H 92 8.492 8.492 7.820 0.672 17610 15759 1 17 . 1 1 99 99 ILE N N 93 121.939 121.939 117.852 4.087 17610 15760 1 17 . 1 1 99 99 ILE HA H 93 3.954 3.954 4.057 -0.103 17610 15761 1 17 . 1 1 99 99 ILE C C 93 177.442 177.442 177.813 -0.371 17610 15762 1 17 . 1 1 99 99 ILE CA C 93 62.370 62.370 62.491 -0.121 17610 15763 1 17 . 1 1 99 99 ILE CB C 93 34.570 34.570 36.269 -1.699 17610 15764 1 17 . 1 1 99 99 ILE H H 93 7.583 7.583 7.484 0.099 17610 15765 1 17 . 1 1 100 100 HIS N N 94 118.387 118.387 119.797 -1.410 17610 15766 1 17 . 1 1 100 100 HIS HA H 94 4.273 4.273 4.539 -0.266 17610 15767 1 17 . 1 1 100 100 HIS C C 94 177.345 177.345 177.533 -0.188 17610 15768 1 17 . 1 1 100 100 HIS CA C 94 60.090 60.090 59.523 0.567 17610 15769 1 17 . 1 1 100 100 HIS CB C 94 30.512 30.512 30.294 0.218 17610 15770 1 17 . 1 1 100 100 HIS H H 94 7.799 7.799 7.331 0.468 17610 15771 1 17 . 1 1 101 101 GLN N N 95 117.673 117.673 119.036 -1.363 17610 15772 1 17 . 1 1 101 101 GLN HA H 95 3.941 3.941 3.844 0.097 17610 15773 1 17 . 1 1 101 101 GLN C C 95 179.155 179.155 178.368 0.787 17610 15774 1 17 . 1 1 101 101 GLN CA C 95 58.371 58.371 58.341 0.030 17610 15775 1 17 . 1 1 101 101 GLN CB C 95 27.807 27.807 27.717 0.090 17610 15776 1 17 . 1 1 101 101 GLN H H 95 7.468 7.468 7.680 -0.212 17610 15777 1 17 . 1 1 102 102 TYR N N 96 120.407 120.407 120.752 -0.345 17610 15778 1 17 . 1 1 102 102 TYR HA H 96 4.064 4.064 4.194 -0.130 17610 15779 1 17 . 1 1 102 102 TYR C C 96 177.660 177.660 177.920 -0.260 17610 15780 1 17 . 1 1 102 102 TYR CA C 96 62.847 62.847 60.567 2.280 17610 15781 1 17 . 1 1 102 102 TYR CB C 96 37.795 37.795 38.173 -0.378 17610 15782 1 17 . 1 1 102 102 TYR H H 96 7.600 7.600 8.450 -0.850 17610 15783 1 17 . 1 1 103 103 ARG N N 97 119.974 119.974 119.526 0.448 17610 15784 1 17 . 1 1 103 103 ARG HA H 97 3.616 3.616 3.832 -0.216 17610 15785 1 17 . 1 1 103 103 ARG C C 97 177.618 177.618 178.161 -0.543 17610 15786 1 17 . 1 1 103 103 ARG CA C 97 59.938 59.938 59.498 0.440 17610 15787 1 17 . 1 1 103 103 ARG CB C 97 28.599 28.599 29.780 -1.181 17610 15788 1 17 . 1 1 103 103 ARG H H 97 8.395 8.395 7.648 0.747 17610 15789 1 17 . 1 1 104 104 GLU N N 98 118.351 118.351 117.203 1.148 17610 15790 1 17 . 1 1 104 104 GLU HA H 98 3.781 3.781 3.817 -0.036 17610 15791 1 17 . 1 1 104 104 GLU C C 98 178.982 178.982 178.562 0.420 17610 15792 1 17 . 1 1 104 104 GLU CA C 98 58.900 58.900 59.250 -0.350 17610 15793 1 17 . 1 1 104 104 GLU CB C 98 29.435 29.435 29.039 0.396 17610 15794 1 17 . 1 1 104 104 GLU H H 98 7.970 7.970 7.690 0.280 17610 15795 1 17 . 1 1 105 105 GLN N N 99 121.350 121.350 119.058 2.292 17610 15796 1 17 . 1 1 105 105 GLN HA H 99 3.946 3.946 4.092 -0.146 17610 15797 1 17 . 1 1 105 105 GLN C C 99 177.701 177.701 177.886 -0.185 17610 15798 1 17 . 1 1 105 105 GLN CA C 99 59.037 59.037 58.428 0.609 17610 15799 1 17 . 1 1 105 105 GLN CB C 99 27.938 27.938 28.508 -0.570 17610 15800 1 17 . 1 1 105 105 GLN H H 99 7.907 7.907 7.522 0.385 17610 15801 1 17 . 1 1 106 106 ILE N N 100 121.310 121.310 122.363 -1.053 17610 15802 1 17 . 1 1 106 106 ILE HA H 100 3.177 3.177 3.368 -0.191 17610 15803 1 17 . 1 1 106 106 ILE C C 100 177.199 177.199 178.373 -1.174 17610 15804 1 17 . 1 1 106 106 ILE CA C 100 65.682 65.682 65.272 0.410 17610 15805 1 17 . 1 1 106 106 ILE CB C 100 37.874 37.874 37.495 0.379 17610 15806 1 17 . 1 1 106 106 ILE H H 100 7.920 7.920 7.565 0.355 17610 15807 1 17 . 1 1 107 107 LYS N N 101 118.584 118.584 118.245 0.339 17610 15808 1 17 . 1 1 107 107 LYS HA H 101 3.951 3.951 4.048 -0.097 17610 15809 1 17 . 1 1 107 107 LYS C C 101 179.476 179.476 179.024 0.452 17610 15810 1 17 . 1 1 107 107 LYS CA C 101 59.571 59.571 59.147 0.424 17610 15811 1 17 . 1 1 107 107 LYS CB C 101 32.227 32.227 31.721 0.506 17610 15812 1 17 . 1 1 107 107 LYS H H 101 7.782 7.782 7.726 0.056 17610 15813 1 17 . 1 1 108 108 ARG N N 102 119.152 119.152 119.628 -0.476 17610 15814 1 17 . 1 1 108 108 ARG HA H 102 4.082 4.082 4.091 -0.009 17610 15815 1 17 . 1 1 108 108 ARG C C 102 179.582 179.582 178.573 1.009 17610 15816 1 17 . 1 1 108 108 ARG CA C 102 58.946 58.946 58.941 0.005 17610 15817 1 17 . 1 1 108 108 ARG CB C 102 30.097 30.097 30.236 -0.139 17610 15818 1 17 . 1 1 108 108 ARG H H 102 7.777 7.777 7.323 0.454 17610 15819 1 17 . 1 1 109 109 VAL N N 103 119.544 119.544 118.885 0.659 17610 15820 1 17 . 1 1 109 109 VAL HA H 103 3.837 3.837 3.875 -0.038 17610 15821 1 17 . 1 1 109 109 VAL C C 103 177.919 177.919 177.649 0.270 17610 15822 1 17 . 1 1 109 109 VAL CA C 103 65.393 65.393 65.021 0.372 17610 15823 1 17 . 1 1 109 109 VAL CB C 103 31.599 31.599 32.218 -0.619 17610 15824 1 17 . 1 1 109 109 VAL H H 103 8.282 8.282 8.245 0.037 17610 15825 1 17 . 1 1 110 110 LYS N N 104 117.592 117.592 118.787 -1.195 17610 15826 1 17 . 1 1 110 110 LYS HA H 104 4.269 4.269 4.279 -0.010 17610 15827 1 17 . 1 1 110 110 LYS C C 104 175.878 175.878 176.592 -0.714 17610 15828 1 17 . 1 1 110 110 LYS CA C 104 54.797 54.797 56.993 -2.196 17610 15829 1 17 . 1 1 110 110 LYS CB C 104 30.687 30.687 32.891 -2.204 17610 15830 1 17 . 1 1 110 110 LYS H H 104 8.117 8.117 8.512 -0.395 17610 15831 1 17 . 1 1 111 111 ASP N N 105 122.118 122.118 117.692 4.426 17610 15832 1 17 . 1 1 111 111 ASP HA H 105 4.306 4.306 4.361 -0.055 17610 15833 1 17 . 1 1 111 111 ASP C C 105 174.496 174.496 175.039 -0.543 17610 15834 1 17 . 1 1 111 111 ASP CA C 105 54.442 54.442 55.237 -0.795 17610 15835 1 17 . 1 1 111 111 ASP CB C 105 39.792 39.792 39.442 0.350 17610 15836 1 17 . 1 1 111 111 ASP H H 105 7.958 7.958 7.959 -0.001 17610 15837 1 17 . 1 1 112 112 SER N N 106 110.372 110.372 113.219 -2.847 17610 15838 1 17 . 1 1 112 112 SER HA H 106 4.565 4.565 4.751 -0.186 17610 15839 1 17 . 1 1 112 112 SER C C 106 172.985 172.985 172.678 0.307 17610 15840 1 17 . 1 1 112 112 SER CA C 106 56.779 56.779 57.163 -0.384 17610 15841 1 17 . 1 1 112 112 SER CB C 106 65.259 65.259 65.307 -0.048 17610 15842 1 17 . 1 1 112 112 SER H H 106 7.539 7.539 7.766 -0.227 17610 15843 1 17 . 1 1 113 113 ASP N N 107 123.301 123.301 119.347 3.954 17610 15844 1 17 . 1 1 113 113 ASP HA H 107 4.665 4.665 4.674 -0.009 17610 15845 1 17 . 1 1 113 113 ASP C C 107 176.066 176.066 175.768 0.298 17610 15846 1 17 . 1 1 113 113 ASP CA C 107 54.267 54.267 55.149 -0.882 17610 15847 1 17 . 1 1 113 113 ASP CB C 107 41.837 41.837 42.040 -0.203 17610 15848 1 17 . 1 1 113 113 ASP H H 107 8.385 8.385 8.509 -0.124 17610 15849 1 17 . 1 1 114 114 ASP N N 108 122.347 122.347 121.152 1.195 17610 15850 1 17 . 1 1 114 114 ASP HA H 108 4.882 4.882 4.612 0.270 17610 15851 1 17 . 1 1 114 114 ASP C C 108 174.386 174.386 175.296 -0.910 17610 15852 1 17 . 1 1 114 114 ASP CA C 108 53.143 53.143 54.349 -1.206 17610 15853 1 17 . 1 1 114 114 ASP CB C 108 41.323 41.323 40.315 1.008 17610 15854 1 17 . 1 1 114 114 ASP H H 108 8.404 8.404 8.183 0.221 17610 15855 1 17 . 1 1 115 115 VAL N N 109 123.609 123.609 119.163 4.446 17610 15856 1 17 . 1 1 115 115 VAL HA H 109 4.337 4.337 4.432 -0.095 17610 15857 1 17 . 1 1 115 115 VAL CA C 109 58.984 58.984 57.848 1.136 17610 15858 1 17 . 1 1 115 115 VAL CB C 109 34.932 34.932 33.067 1.865 17610 15859 1 17 . 1 1 115 115 VAL H H 109 7.649 7.649 7.572 0.077 17610 15860 1 17 . 1 1 116 116 PRO HA H 110 4.430 4.430 4.711 -0.281 17610 15861 1 17 . 1 1 116 116 PRO C C 110 175.942 175.942 176.022 -0.080 17610 15862 1 17 . 1 1 116 116 PRO CA C 110 63.872 63.872 62.808 1.064 17610 15863 1 17 . 1 1 116 116 PRO CB C 110 32.120 32.120 30.850 1.270 17610 15864 1 17 . 1 1 117 117 MET N N 111 124.020 124.020 120.390 3.630 17610 15865 1 17 . 1 1 117 117 MET HA H 111 5.777 5.777 5.405 0.372 17610 15866 1 17 . 1 1 117 117 MET C C 111 173.737 173.737 173.888 -0.151 17610 15867 1 17 . 1 1 117 117 MET CA C 111 55.094 55.094 54.908 0.186 17610 15868 1 17 . 1 1 117 117 MET CB C 111 37.889 37.889 37.150 0.739 17610 15869 1 17 . 1 1 117 117 MET H H 111 8.274 8.274 7.966 0.308 17610 15870 1 17 . 1 1 118 118 VAL N N 112 118.747 118.747 116.155 2.592 17610 15871 1 17 . 1 1 118 118 VAL HA H 112 4.341 4.341 4.596 -0.255 17610 15872 1 17 . 1 1 118 118 VAL C C 112 173.171 173.171 173.568 -0.397 17610 15873 1 17 . 1 1 118 118 VAL CA C 112 60.943 60.943 60.377 0.566 17610 15874 1 17 . 1 1 118 118 VAL CB C 112 37.030 37.030 36.716 0.314 17610 15875 1 17 . 1 1 118 118 VAL H H 112 8.119 8.119 8.827 -0.708 17610 15876 1 17 . 1 1 119 119 LEU N N 113 129.931 129.931 127.199 2.732 17610 15877 1 17 . 1 1 119 119 LEU HA H 113 5.157 5.157 5.197 -0.040 17610 15878 1 17 . 1 1 119 119 LEU C C 113 173.496 173.496 174.974 -1.478 17610 15879 1 17 . 1 1 119 119 LEU CA C 113 53.828 53.828 53.489 0.339 17610 15880 1 17 . 1 1 119 119 LEU CB C 113 43.876 43.876 43.851 0.025 17610 15881 1 17 . 1 1 119 119 LEU H H 113 8.918 8.918 8.102 0.816 17610 15882 1 17 . 1 1 120 120 VAL N N 114 129.371 129.371 126.868 2.503 17610 15883 1 17 . 1 1 120 120 VAL HA H 114 5.117 5.117 5.068 0.049 17610 15884 1 17 . 1 1 120 120 VAL C C 114 173.667 173.667 175.578 -1.911 17610 15885 1 17 . 1 1 120 120 VAL CA C 114 60.124 60.124 60.079 0.045 17610 15886 1 17 . 1 1 120 120 VAL CB C 114 35.225 35.225 34.160 1.065 17610 15887 1 17 . 1 1 120 120 VAL H H 114 9.173 9.173 9.068 0.105 17610 15888 1 17 . 1 1 121 121 GLY N N 115 115.789 115.789 112.089 3.700 17610 15889 1 17 . 1 1 121 121 GLY C C 115 171.603 171.603 173.472 -1.869 17610 15890 1 17 . 1 1 121 121 GLY CA C 115 45.256 45.256 43.371 1.885 17610 15891 1 17 . 1 1 121 121 GLY H H 115 8.046 8.046 8.488 -0.442 17610 15892 1 17 . 1 1 122 122 ASN N N 116 122.349 122.349 122.781 -0.432 17610 15893 1 17 . 1 1 122 122 ASN HA H 116 5.620 5.620 4.478 1.142 17610 15894 1 17 . 1 1 122 122 ASN C C 116 174.732 174.732 175.322 -0.590 17610 15895 1 17 . 1 1 122 122 ASN CA C 116 51.492 51.492 54.077 -2.585 17610 15896 1 17 . 1 1 122 122 ASN CB C 116 41.323 41.323 39.667 1.656 17610 15897 1 17 . 1 1 122 122 ASN H H 116 8.756 8.756 7.589 1.167 17610 15898 1 17 . 1 1 123 123 LYS N N 117 113.297 113.297 118.882 -5.585 17610 15899 1 17 . 1 1 123 123 LYS HA H 117 4.280 4.280 3.909 0.371 17610 15900 1 17 . 1 1 123 123 LYS C C 117 177.324 177.324 174.780 2.544 17610 15901 1 17 . 1 1 123 123 LYS CA C 117 57.273 57.273 57.263 0.010 17610 15902 1 17 . 1 1 123 123 LYS CB C 117 29.775 29.775 30.173 -0.398 17610 15903 1 17 . 1 1 123 123 LYS H H 117 7.342 7.342 8.744 -1.402 17610 15904 1 17 . 1 1 124 124 CYS N N 118 115.340 115.340 119.033 -3.693 17610 15905 1 17 . 1 1 124 124 CYS HA H 118 4.292 4.292 4.492 -0.200 17610 15906 1 17 . 1 1 124 124 CYS C C 118 173.325 173.325 174.426 -1.101 17610 15907 1 17 . 1 1 124 124 CYS CA C 118 60.698 60.698 57.822 2.877 17610 15908 1 17 . 1 1 124 124 CYS CB C 118 26.387 26.387 27.108 -0.721 17610 15909 1 17 . 1 1 124 124 CYS H H 118 8.763 8.763 7.902 0.861 17610 15910 1 17 . 1 1 125 125 ASP N N 119 118.603 118.603 119.036 -0.433 17610 15911 1 17 . 1 1 125 125 ASP HA H 119 4.476 4.476 4.546 -0.070 17610 15912 1 17 . 1 1 125 125 ASP C C 119 175.464 175.464 175.652 -0.188 17610 15913 1 17 . 1 1 125 125 ASP CA C 119 53.951 53.951 54.464 -0.513 17610 15914 1 17 . 1 1 125 125 ASP CB C 119 41.323 41.323 39.837 1.486 17610 15915 1 17 . 1 1 125 125 ASP H H 119 8.613 8.613 8.193 0.420 17610 15916 1 17 . 1 1 126 126 LEU N N 120 122.098 122.098 119.225 2.873 17610 15917 1 17 . 1 1 126 126 LEU HA H 120 4.241 4.241 4.499 -0.258 17610 15918 1 17 . 1 1 126 126 LEU C C 120 176.420 176.420 176.654 -0.234 17610 15919 1 17 . 1 1 126 126 LEU CA C 120 54.723 54.723 54.667 0.056 17610 15920 1 17 . 1 1 126 126 LEU CB C 120 41.837 41.837 42.793 -0.956 17610 15921 1 17 . 1 1 126 126 LEU H H 120 7.802 7.802 7.330 0.472 17610 15922 1 17 . 1 1 127 127 ALA N N 121 123.959 123.959 124.935 -0.976 17610 15923 1 17 . 1 1 127 127 ALA HA H 121 4.214 4.214 4.363 -0.149 17610 15924 1 17 . 1 1 127 127 ALA C C 121 178.717 178.717 176.542 2.175 17610 15925 1 17 . 1 1 127 127 ALA CA C 121 53.179 53.179 51.836 1.343 17610 15926 1 17 . 1 1 127 127 ALA CB C 121 18.871 18.871 17.466 1.405 17610 15927 1 17 . 1 1 127 127 ALA H H 121 8.160 8.160 8.510 -0.350 17610 15928 1 17 . 1 1 128 128 ALA N N 122 123.078 123.078 123.594 -0.516 17610 15929 1 17 . 1 1 128 128 ALA HA H 122 4.524 4.524 4.454 0.070 17610 15930 1 17 . 1 1 128 128 ALA C C 122 175.272 175.272 174.926 0.346 17610 15931 1 17 . 1 1 128 128 ALA CA C 122 51.259 51.259 51.725 -0.466 17610 15932 1 17 . 1 1 128 128 ALA CB C 122 17.623 17.623 20.220 -2.597 17610 15933 1 17 . 1 1 128 128 ALA H H 122 7.698 7.698 7.587 0.111 17610 15934 1 17 . 1 1 129 129 ARG N N 123 121.454 121.454 123.161 -1.707 17610 15935 1 17 . 1 1 129 129 ARG HA H 123 4.093 4.093 4.447 -0.354 17610 15936 1 17 . 1 1 129 129 ARG C C 123 176.271 176.271 175.727 0.544 17610 15937 1 17 . 1 1 129 129 ARG CA C 123 55.596 55.596 55.613 -0.017 17610 15938 1 17 . 1 1 129 129 ARG CB C 123 32.696 32.696 30.764 1.932 17610 15939 1 17 . 1 1 129 129 ARG H H 123 7.992 7.992 8.176 -0.184 17610 15940 1 17 . 1 1 130 130 THR N N 124 115.617 115.617 117.971 -2.354 17610 15941 1 17 . 1 1 130 130 THR HA H 124 4.564 4.564 4.333 0.231 17610 15942 1 17 . 1 1 130 130 THR C C 124 174.119 174.119 175.524 -1.405 17610 15943 1 17 . 1 1 130 130 THR CA C 124 61.746 61.746 63.728 -1.982 17610 15944 1 17 . 1 1 130 130 THR CB C 124 69.094 69.094 69.392 -0.298 17610 15945 1 17 . 1 1 130 130 THR H H 124 9.145 9.145 8.362 0.783 17610 15946 1 17 . 1 1 131 131 VAL N N 125 125.688 125.688 124.920 0.768 17610 15947 1 17 . 1 1 131 131 VAL HA H 125 4.015 4.015 3.981 0.034 17610 15948 1 17 . 1 1 131 131 VAL C C 125 175.658 175.658 174.948 0.710 17610 15949 1 17 . 1 1 131 131 VAL CA C 125 61.373 61.373 61.922 -0.549 17610 15950 1 17 . 1 1 131 131 VAL CB C 125 33.147 33.147 31.333 1.814 17610 15951 1 17 . 1 1 131 131 VAL H H 125 7.618 7.618 7.927 -0.309 17610 15952 1 17 . 1 1 132 132 GLU N N 126 128.319 128.319 127.550 0.769 17610 15953 1 17 . 1 1 132 132 GLU HA H 126 4.228 4.228 4.125 0.103 17610 15954 1 17 . 1 1 132 132 GLU C C 126 177.986 177.986 177.058 0.928 17610 15955 1 17 . 1 1 132 132 GLU CA C 126 56.323 56.323 56.533 -0.210 17610 15956 1 17 . 1 1 132 132 GLU CB C 126 30.158 30.158 30.039 0.119 17610 15957 1 17 . 1 1 132 132 GLU H H 126 8.727 8.727 8.305 0.422 17610 15958 1 17 . 1 1 133 133 SER N N 127 122.970 122.970 117.309 5.661 17610 15959 1 17 . 1 1 133 133 SER HA H 127 4.074 4.074 4.055 0.019 17610 15960 1 17 . 1 1 133 133 SER C C 127 176.633 176.633 176.438 0.195 17610 15961 1 17 . 1 1 133 133 SER CA C 127 62.598 62.598 61.726 0.872 17610 15962 1 17 . 1 1 133 133 SER CB C 127 62.511 62.511 63.014 -0.503 17610 15963 1 17 . 1 1 133 133 SER H H 127 9.421 9.421 8.713 0.708 17610 15964 1 17 . 1 1 134 134 ARG N N 128 119.141 119.141 121.067 -1.926 17610 15965 1 17 . 1 1 134 134 ARG HA H 128 4.028 4.028 3.972 0.056 17610 15966 1 17 . 1 1 134 134 ARG C C 128 177.739 177.739 178.161 -0.422 17610 15967 1 17 . 1 1 134 134 ARG CA C 128 58.785 58.785 59.217 -0.432 17610 15968 1 17 . 1 1 134 134 ARG CB C 128 29.752 29.752 29.164 0.588 17610 15969 1 17 . 1 1 134 134 ARG H H 128 8.675 8.675 8.484 0.191 17610 15970 1 17 . 1 1 135 135 GLN N N 129 118.050 118.050 117.380 0.670 17610 15971 1 17 . 1 1 135 135 GLN HA H 129 4.091 4.091 3.946 0.145 17610 15972 1 17 . 1 1 135 135 GLN C C 129 179.009 179.009 177.689 1.320 17610 15973 1 17 . 1 1 135 135 GLN CA C 129 58.389 58.389 59.362 -0.973 17610 15974 1 17 . 1 1 135 135 GLN CB C 129 28.916 28.916 28.129 0.787 17610 15975 1 17 . 1 1 135 135 GLN H H 129 6.796 6.796 8.500 -1.704 17610 15976 1 17 . 1 1 136 136 ALA N N 130 124.769 124.769 121.222 3.547 17610 15977 1 17 . 1 1 136 136 ALA HA H 130 3.933 3.933 3.456 0.477 17610 15978 1 17 . 1 1 136 136 ALA C C 130 178.155 178.155 179.599 -1.444 17610 15979 1 17 . 1 1 136 136 ALA CA C 130 54.760 54.760 54.554 0.206 17610 15980 1 17 . 1 1 136 136 ALA CB C 130 18.546 18.546 17.822 0.724 17610 15981 1 17 . 1 1 136 136 ALA H H 130 7.017 7.017 7.220 -0.203 17610 15982 1 17 . 1 1 137 137 GLN N N 131 119.215 119.215 117.866 1.349 17610 15983 1 17 . 1 1 137 137 GLN HA H 131 3.720 3.720 3.783 -0.063 17610 15984 1 17 . 1 1 137 137 GLN C C 131 179.387 179.387 178.272 1.115 17610 15985 1 17 . 1 1 137 137 GLN CA C 131 58.815 58.815 59.459 -0.644 17610 15986 1 17 . 1 1 137 137 GLN CB C 131 28.503 28.503 28.565 -0.062 17610 15987 1 17 . 1 1 137 137 GLN H H 131 8.602 8.602 8.323 0.279 17610 15988 1 17 . 1 1 138 138 ASP N N 132 121.298 121.298 121.224 0.074 17610 15989 1 17 . 1 1 138 138 ASP HA H 132 4.371 4.371 4.343 0.028 17610 15990 1 17 . 1 1 138 138 ASP C C 132 178.855 178.855 178.620 0.235 17610 15991 1 17 . 1 1 138 138 ASP CA C 132 57.425 57.425 57.590 -0.166 17610 15992 1 17 . 1 1 138 138 ASP CB C 132 40.860 40.860 40.697 0.163 17610 15993 1 17 . 1 1 138 138 ASP H H 132 8.203 8.203 8.345 -0.142 17610 15994 1 17 . 1 1 139 139 LEU N N 133 124.786 124.786 120.371 4.415 17610 15995 1 17 . 1 1 139 139 LEU HA H 133 3.888 3.888 3.988 -0.100 17610 15996 1 17 . 1 1 139 139 LEU C C 133 178.953 178.953 178.343 0.610 17610 15997 1 17 . 1 1 139 139 LEU CA C 133 57.827 57.827 57.979 -0.152 17610 15998 1 17 . 1 1 139 139 LEU CB C 133 41.837 41.837 41.254 0.583 17610 15999 1 17 . 1 1 139 139 LEU H H 133 7.485 7.485 7.428 0.057 17610 16000 1 17 . 1 1 140 140 ALA N N 134 123.038 123.038 121.424 1.614 17610 16001 1 17 . 1 1 140 140 ALA HA H 134 3.783 3.783 3.811 -0.028 17610 16002 1 17 . 1 1 140 140 ALA C C 134 179.902 179.902 179.253 0.649 17610 16003 1 17 . 1 1 140 140 ALA CA C 134 55.832 55.832 55.150 0.682 17610 16004 1 17 . 1 1 140 140 ALA CB C 134 18.120 18.120 18.342 -0.222 17610 16005 1 17 . 1 1 140 140 ALA H H 134 8.426 8.426 7.713 0.713 17610 16006 1 17 . 1 1 141 141 ARG N N 135 119.537 119.537 118.552 0.985 17610 16007 1 17 . 1 1 141 141 ARG HA H 135 4.194 4.194 4.009 0.185 17610 16008 1 17 . 1 1 141 141 ARG C C 135 180.037 180.037 178.531 1.506 17610 16009 1 17 . 1 1 141 141 ARG CA C 135 59.331 59.331 59.248 0.083 17610 16010 1 17 . 1 1 141 141 ARG CB C 135 29.864 29.864 30.194 -0.330 17610 16011 1 17 . 1 1 141 141 ARG H H 135 8.459 8.459 8.571 -0.112 17610 16012 1 17 . 1 1 142 142 SER N N 136 118.958 118.958 113.746 5.212 17610 16013 1 17 . 1 1 142 142 SER HA H 136 4.277 4.277 4.323 -0.046 17610 16014 1 17 . 1 1 142 142 SER C C 136 176.127 176.127 176.056 0.071 17610 16015 1 17 . 1 1 142 142 SER CA C 136 61.509 61.509 60.716 0.793 17610 16016 1 17 . 1 1 142 142 SER CB C 136 62.529 62.529 63.283 -0.754 17610 16017 1 17 . 1 1 142 142 SER H H 136 7.944 7.944 7.736 0.208 17610 16018 1 17 . 1 1 143 143 TYR N N 137 121.309 121.309 119.505 1.804 17610 16019 1 17 . 1 1 143 143 TYR HA H 137 4.907 4.907 4.539 0.368 17610 16020 1 17 . 1 1 143 143 TYR C C 137 176.279 176.279 176.324 -0.045 17610 16021 1 17 . 1 1 143 143 TYR CA C 137 54.737 54.737 56.833 -2.096 17610 16022 1 17 . 1 1 143 143 TYR CB C 137 38.830 38.830 38.917 -0.087 17610 16023 1 17 . 1 1 143 143 TYR H H 137 7.623 7.623 7.389 0.234 17610 16024 1 17 . 1 1 144 144 GLY N N 138 112.193 112.193 107.614 4.579 17610 16025 1 17 . 1 1 144 144 GLY C C 138 175.077 175.077 174.420 0.657 17610 16026 1 17 . 1 1 144 144 GLY CA C 138 46.439 46.439 45.291 1.149 17610 16027 1 17 . 1 1 144 144 GLY H H 138 8.328 8.328 7.808 0.520 17610 16028 1 17 . 1 1 145 145 ILE N N 139 114.227 114.227 116.142 -1.915 17610 16029 1 17 . 1 1 145 145 ILE HA H 139 5.241 5.241 4.858 0.383 17610 16030 1 17 . 1 1 145 145 ILE CA C 139 58.420 58.420 57.769 0.651 17610 16031 1 17 . 1 1 145 145 ILE CB C 139 38.543 38.543 39.002 -0.459 17610 16032 1 17 . 1 1 145 145 ILE H H 139 8.059 8.059 7.496 0.563 17610 16033 1 17 . 1 1 146 146 PRO HA H 140 4.627 4.627 4.509 0.118 17610 16034 1 17 . 1 1 146 146 PRO C C 140 174.570 174.570 175.275 -0.705 17610 16035 1 17 . 1 1 146 146 PRO CA C 140 62.362 62.362 62.464 -0.102 17610 16036 1 17 . 1 1 146 146 PRO CB C 140 33.057 33.057 32.532 0.525 17610 16037 1 17 . 1 1 147 147 TYR N N 141 121.135 121.135 121.789 -0.654 17610 16038 1 17 . 1 1 147 147 TYR HA H 141 5.997 5.997 5.475 0.522 17610 16039 1 17 . 1 1 147 147 TYR C C 141 174.492 174.492 174.710 -0.218 17610 16040 1 17 . 1 1 147 147 TYR CA C 141 54.912 54.912 56.332 -1.420 17610 16041 1 17 . 1 1 147 147 TYR CB C 141 40.972 40.972 40.547 0.425 17610 16042 1 17 . 1 1 147 147 TYR H H 141 8.252 8.252 8.360 -0.108 17610 16043 1 17 . 1 1 148 148 ILE N N 142 131.362 131.362 127.033 4.329 17610 16044 1 17 . 1 1 148 148 ILE HA H 142 3.948 3.948 4.177 -0.229 17610 16045 1 17 . 1 1 148 148 ILE C C 142 172.977 172.977 174.149 -1.172 17610 16046 1 17 . 1 1 148 148 ILE CA C 142 59.383 59.383 59.624 -0.241 17610 16047 1 17 . 1 1 148 148 ILE CB C 142 42.260 42.260 41.517 0.743 17610 16048 1 17 . 1 1 148 148 ILE H H 142 8.495 8.495 8.205 0.290 17610 16049 1 17 . 1 1 149 149 GLU N N 143 125.874 125.874 123.394 2.480 17610 16050 1 17 . 1 1 149 149 GLU HA H 143 4.788 4.788 4.392 0.396 17610 16051 1 17 . 1 1 149 149 GLU C C 143 176.128 176.128 175.464 0.664 17610 16052 1 17 . 1 1 149 149 GLU CA C 143 55.647 55.647 55.401 0.246 17610 16053 1 17 . 1 1 149 149 GLU CB C 143 29.727 29.727 31.845 -2.118 17610 16054 1 17 . 1 1 149 149 GLU H H 143 7.827 7.827 8.509 -0.682 17610 16055 1 17 . 1 1 150 150 THR N N 144 113.629 113.629 112.847 0.782 17610 16056 1 17 . 1 1 150 150 THR HA H 144 5.081 5.081 5.139 -0.058 17610 16057 1 17 . 1 1 150 150 THR C C 144 176.136 176.136 172.797 3.339 17610 16058 1 17 . 1 1 150 150 THR CA C 144 59.464 59.464 60.110 -0.646 17610 16059 1 17 . 1 1 150 150 THR CB C 144 73.639 73.639 71.247 2.392 17610 16060 1 17 . 1 1 150 150 THR H H 144 8.800 8.800 8.086 0.714 17610 16061 1 17 . 1 1 151 151 SER N N 145 113.706 113.706 114.787 -1.081 17610 16062 1 17 . 1 1 151 151 SER HA H 145 4.883 4.883 4.762 0.121 17610 16063 1 17 . 1 1 151 151 SER C C 145 175.707 175.707 174.016 1.691 17610 16064 1 17 . 1 1 151 151 SER CA C 145 57.438 57.438 57.458 -0.020 17610 16065 1 17 . 1 1 151 151 SER CB C 145 64.470 64.470 65.635 -1.165 17610 16066 1 17 . 1 1 151 151 SER H H 145 8.807 8.807 8.007 0.800 17610 16067 1 17 . 1 1 152 152 ALA N N 146 133.500 133.500 129.462 4.038 17610 16068 1 17 . 1 1 152 152 ALA HA H 146 3.890 3.890 4.118 -0.228 17610 16069 1 17 . 1 1 152 152 ALA C C 146 175.632 175.632 178.104 -2.472 17610 16070 1 17 . 1 1 152 152 ALA CA C 146 54.416 54.416 54.647 -0.230 17610 16071 1 17 . 1 1 152 152 ALA CB C 146 18.605 18.605 18.749 -0.144 17610 16072 1 17 . 1 1 152 152 ALA H H 146 9.134 9.134 8.722 0.412 17610 16073 1 17 . 1 1 153 153 LYS N N 147 117.223 117.223 118.214 -0.991 17610 16074 1 17 . 1 1 153 153 LYS HA H 147 2.616 2.616 3.332 -0.716 17610 16075 1 17 . 1 1 153 153 LYS C C 147 177.045 177.045 177.628 -0.583 17610 16076 1 17 . 1 1 153 153 LYS CA C 147 58.119 58.119 58.827 -0.708 17610 16077 1 17 . 1 1 153 153 LYS CB C 147 33.956 33.956 32.258 1.698 17610 16078 1 17 . 1 1 153 153 LYS H H 147 7.042 7.042 8.381 -1.339 17610 16079 1 17 . 1 1 154 154 THR N N 148 107.404 107.404 108.576 -1.172 17610 16080 1 17 . 1 1 154 154 THR HA H 148 4.157 4.157 4.068 0.089 17610 16081 1 17 . 1 1 154 154 THR C C 148 175.979 175.979 174.744 1.235 17610 16082 1 17 . 1 1 154 154 THR CA C 148 61.489 61.489 62.477 -0.989 17610 16083 1 17 . 1 1 154 154 THR CB C 148 69.911 69.911 69.359 0.552 17610 16084 1 17 . 1 1 154 154 THR H H 148 7.721 7.721 7.816 -0.095 17610 16085 1 17 . 1 1 155 155 ARG N N 149 119.268 119.268 120.204 -0.936 17610 16086 1 17 . 1 1 155 155 ARG HA H 149 3.476 3.476 3.951 -0.475 17610 16087 1 17 . 1 1 155 155 ARG C C 149 175.481 175.481 173.913 1.568 17610 16088 1 17 . 1 1 155 155 ARG CA C 149 59.653 59.653 56.823 2.830 17610 16089 1 17 . 1 1 155 155 ARG CB C 149 30.445 30.445 28.358 2.087 17610 16090 1 17 . 1 1 155 155 ARG H H 149 7.814 7.814 7.923 -0.109 17610 16091 1 17 . 1 1 156 156 GLN N N 150 125.391 125.391 122.177 3.214 17610 16092 1 17 . 1 1 156 156 GLN HA H 150 4.065 4.065 4.494 -0.429 17610 16093 1 17 . 1 1 156 156 GLN C C 150 177.007 177.007 175.991 1.016 17610 16094 1 17 . 1 1 156 156 GLN CA C 150 57.433 57.433 55.010 2.423 17610 16095 1 17 . 1 1 156 156 GLN CB C 150 28.472 28.472 30.975 -2.503 17610 16096 1 17 . 1 1 156 156 GLN H H 150 7.833 7.833 7.620 0.213 17610 16097 1 17 . 1 1 157 157 GLY N N 151 116.380 116.380 113.958 2.422 17610 16098 1 17 . 1 1 157 157 GLY C C 151 173.581 173.581 174.979 -1.398 17610 16099 1 17 . 1 1 157 157 GLY CA C 151 46.945 46.945 46.557 0.388 17610 16100 1 17 . 1 1 157 157 GLY H H 151 8.936 8.936 9.048 -0.112 17610 16101 1 17 . 1 1 158 158 VAL N N 152 121.822 121.822 115.529 6.293 17610 16102 1 17 . 1 1 158 158 VAL HA H 152 3.221 3.221 3.517 -0.296 17610 16103 1 17 . 1 1 158 158 VAL C C 152 177.006 177.006 177.131 -0.125 17610 16104 1 17 . 1 1 158 158 VAL CA C 152 68.314 68.314 64.944 3.370 17610 16105 1 17 . 1 1 158 158 VAL CB C 152 31.473 31.473 31.758 -0.284 17610 16106 1 17 . 1 1 158 158 VAL H H 152 7.099 7.099 7.968 -0.869 17610 16107 1 17 . 1 1 159 159 GLU N N 153 118.087 118.087 119.645 -1.558 17610 16108 1 17 . 1 1 159 159 GLU HA H 153 3.305 3.305 4.011 -0.706 17610 16109 1 17 . 1 1 159 159 GLU C C 153 177.163 177.163 178.183 -1.020 17610 16110 1 17 . 1 1 159 159 GLU CA C 153 60.407 60.407 59.154 1.253 17610 16111 1 17 . 1 1 159 159 GLU CB C 153 28.787 28.787 28.851 -0.064 17610 16112 1 17 . 1 1 159 159 GLU H H 153 8.271 8.271 8.701 -0.430 17610 16113 1 17 . 1 1 160 160 ASP N N 154 117.624 117.624 120.329 -2.705 17610 16114 1 17 . 1 1 160 160 ASP HA H 154 4.205 4.205 4.567 -0.362 17610 16115 1 17 . 1 1 160 160 ASP C C 154 179.366 179.366 178.046 1.320 17610 16116 1 17 . 1 1 160 160 ASP CA C 154 57.288 57.288 57.365 -0.077 17610 16117 1 17 . 1 1 160 160 ASP CB C 154 40.040 40.040 40.397 -0.357 17610 16118 1 17 . 1 1 160 160 ASP H H 154 8.145 8.145 8.278 -0.133 17610 16119 1 17 . 1 1 161 161 ALA N N 155 125.270 125.270 121.664 3.606 17610 16120 1 17 . 1 1 161 161 ALA HA H 155 3.749 3.749 4.064 -0.315 17610 16121 1 17 . 1 1 161 161 ALA C C 155 177.684 177.684 179.536 -1.852 17610 16122 1 17 . 1 1 161 161 ALA CA C 155 56.295 56.295 54.583 1.712 17610 16123 1 17 . 1 1 161 161 ALA CB C 155 17.397 17.397 18.424 -1.027 17610 16124 1 17 . 1 1 161 161 ALA H H 155 8.603 8.603 7.385 1.218 17610 16125 1 17 . 1 1 162 162 PHE N N 156 113.772 113.772 117.975 -4.203 17610 16126 1 17 . 1 1 162 162 PHE HA H 156 3.912 3.912 4.133 -0.221 17610 16127 1 17 . 1 1 162 162 PHE C C 156 177.975 177.975 178.302 -0.327 17610 16128 1 17 . 1 1 162 162 PHE CA C 156 62.851 62.851 60.868 1.983 17610 16129 1 17 . 1 1 162 162 PHE CB C 156 39.472 39.472 38.367 1.105 17610 16130 1 17 . 1 1 162 162 PHE H H 156 7.236 7.236 7.394 -0.158 17610 16131 1 17 . 1 1 163 163 TYR N N 157 120.499 120.499 118.318 2.181 17610 16132 1 17 . 1 1 163 163 TYR HA H 157 4.355 4.355 4.166 0.189 17610 16133 1 17 . 1 1 163 163 TYR C C 157 179.097 179.097 178.022 1.075 17610 16134 1 17 . 1 1 163 163 TYR CA C 157 58.309 58.309 60.483 -2.174 17610 16135 1 17 . 1 1 163 163 TYR CB C 157 35.012 35.012 37.046 -2.034 17610 16136 1 17 . 1 1 163 163 TYR H H 157 9.573 9.573 8.632 0.941 17610 16137 1 17 . 1 1 164 164 THR N N 158 118.206 118.206 115.815 2.391 17610 16138 1 17 . 1 1 164 164 THR HA H 158 3.903 3.903 3.950 -0.047 17610 16139 1 17 . 1 1 164 164 THR C C 158 175.656 175.656 176.537 -0.881 17610 16140 1 17 . 1 1 164 164 THR CA C 158 67.484 67.484 66.038 1.446 17610 16141 1 17 . 1 1 164 164 THR CB C 158 67.819 67.819 68.069 -0.249 17610 16142 1 17 . 1 1 164 164 THR H H 158 8.538 8.538 7.753 0.785 17610 16143 1 17 . 1 1 165 165 LEU N N 159 122.864 122.864 121.365 1.499 17610 16144 1 17 . 1 1 165 165 LEU HA H 159 3.871 3.871 4.134 -0.263 17610 16145 1 17 . 1 1 165 165 LEU C C 159 177.513 177.513 178.102 -0.589 17610 16146 1 17 . 1 1 165 165 LEU CA C 159 57.991 57.991 58.175 -0.184 17610 16147 1 17 . 1 1 165 165 LEU CB C 159 40.181 40.181 40.908 -0.727 17610 16148 1 17 . 1 1 165 165 LEU H H 159 7.232 7.232 7.791 -0.559 17610 16149 1 17 . 1 1 166 166 VAL N N 160 120.322 120.322 118.624 1.698 17610 16150 1 17 . 1 1 166 166 VAL HA H 160 3.045 3.045 3.259 -0.214 17610 16151 1 17 . 1 1 166 166 VAL C C 160 177.474 177.474 178.361 -0.887 17610 16152 1 17 . 1 1 166 166 VAL CA C 160 67.389 67.389 65.896 1.493 17610 16153 1 17 . 1 1 166 166 VAL CB C 160 30.944 30.944 30.759 0.185 17610 16154 1 17 . 1 1 166 166 VAL H H 160 7.517 7.517 7.303 0.214 17610 16155 1 17 . 1 1 167 167 ARG N N 161 120.151 120.151 119.571 0.580 17610 16156 1 17 . 1 1 167 167 ARG HA H 161 3.772 3.772 3.891 -0.119 17610 16157 1 17 . 1 1 167 167 ARG C C 161 179.030 179.030 178.778 0.252 17610 16158 1 17 . 1 1 167 167 ARG CA C 161 60.935 60.935 60.468 0.467 17610 16159 1 17 . 1 1 167 167 ARG CB C 161 29.586 29.586 29.906 -0.320 17610 16160 1 17 . 1 1 167 167 ARG H H 161 8.044 8.044 7.842 0.202 17610 16161 1 17 . 1 1 168 168 GLU N N 162 119.201 119.201 119.615 -0.414 17610 16162 1 17 . 1 1 168 168 GLU HA H 162 4.050 4.050 4.129 -0.079 17610 16163 1 17 . 1 1 168 168 GLU C C 162 179.805 179.805 179.426 0.379 17610 16164 1 17 . 1 1 168 168 GLU CA C 162 58.867 58.867 59.384 -0.517 17610 16165 1 17 . 1 1 168 168 GLU CB C 162 30.330 30.330 29.426 0.904 17610 16166 1 17 . 1 1 168 168 GLU H H 162 8.171 8.171 8.118 0.053 17610 16167 1 17 . 1 1 169 169 ILE N N 163 123.244 123.244 119.689 3.555 17610 16168 1 17 . 1 1 169 169 ILE HA H 163 3.583 3.583 3.856 -0.273 17610 16169 1 17 . 1 1 169 169 ILE C C 163 178.906 178.906 178.341 0.565 17610 16170 1 17 . 1 1 169 169 ILE CA C 163 66.023 66.023 64.932 1.091 17610 16171 1 17 . 1 1 169 169 ILE CB C 163 38.204 38.204 37.877 0.327 17610 16172 1 17 . 1 1 169 169 ILE H H 163 8.174 8.174 7.903 0.271 17610 16173 1 17 . 1 1 170 170 ARG N N 164 119.842 119.842 119.710 0.132 17610 16174 1 17 . 1 1 170 170 ARG HA H 164 4.140 4.140 4.087 0.053 17610 16175 1 17 . 1 1 170 170 ARG C C 164 177.532 177.532 178.627 -1.095 17610 16176 1 17 . 1 1 170 170 ARG CA C 164 58.944 58.944 59.310 -0.366 17610 16177 1 17 . 1 1 170 170 ARG CB C 164 31.206 31.206 30.642 0.564 17610 16178 1 17 . 1 1 170 170 ARG H H 164 8.405 8.405 8.249 0.156 17610 16179 1 17 . 1 1 171 171 GLN N N 165 116.762 116.762 115.278 1.484 17610 16180 1 17 . 1 1 171 171 GLN HA H 165 4.343 4.343 4.198 0.145 17610 16181 1 17 . 1 1 171 171 GLN C C 165 175.218 175.218 176.535 -1.317 17610 16182 1 17 . 1 1 171 171 GLN CA C 165 56.100 56.100 57.532 -1.432 17610 16183 1 17 . 1 1 171 171 GLN CB C 165 29.236 29.236 29.192 0.044 17610 16184 1 17 . 1 1 171 171 GLN H H 165 7.646 7.646 8.078 -0.432 17610 16185 1 18 . 1 1 8 8 THR N N 2 124.188 124.188 116.959 7.229 17610 16186 1 18 . 1 1 8 8 THR HA H 2 3.983 3.983 4.261 -0.278 17610 16187 1 18 . 1 1 8 8 THR C C 2 171.971 171.971 173.770 -1.799 17610 16188 1 18 . 1 1 8 8 THR CA C 2 63.551 63.551 63.037 0.514 17610 16189 1 18 . 1 1 8 8 THR CB C 2 69.619 69.619 69.897 -0.278 17610 16190 1 18 . 1 1 8 8 THR H H 2 8.667 8.667 8.611 0.056 17610 16191 1 18 . 1 1 9 9 GLU N N 3 127.895 127.895 124.738 3.157 17610 16192 1 18 . 1 1 9 9 GLU HA H 3 5.280 5.280 4.537 0.743 17610 16193 1 18 . 1 1 9 9 GLU C C 3 175.089 175.089 175.370 -0.281 17610 16194 1 18 . 1 1 9 9 GLU CA C 3 53.636 53.636 55.901 -2.265 17610 16195 1 18 . 1 1 9 9 GLU CB C 3 32.029 32.029 31.230 0.798 17610 16196 1 18 . 1 1 9 9 GLU H H 3 8.316 8.316 8.628 -0.312 17610 16197 1 18 . 1 1 10 10 TYR N N 4 123.375 123.375 125.250 -1.875 17610 16198 1 18 . 1 1 10 10 TYR HA H 4 5.131 5.131 4.567 0.564 17610 16199 1 18 . 1 1 10 10 TYR C C 4 174.621 174.621 175.129 -0.508 17610 16200 1 18 . 1 1 10 10 TYR CA C 4 56.649 56.649 57.264 -0.615 17610 16201 1 18 . 1 1 10 10 TYR CB C 4 41.323 41.323 39.571 1.752 17610 16202 1 18 . 1 1 10 10 TYR H H 4 8.739 8.739 8.458 0.281 17610 16203 1 18 . 1 1 11 11 LYS N N 5 125.147 125.147 126.434 -1.287 17610 16204 1 18 . 1 1 11 11 LYS HA H 5 5.168 5.168 4.541 0.627 17610 16205 1 18 . 1 1 11 11 LYS C C 5 175.291 175.291 175.178 0.113 17610 16206 1 18 . 1 1 11 11 LYS CA C 5 55.145 55.145 55.883 -0.738 17610 16207 1 18 . 1 1 11 11 LYS CB C 5 32.225 32.225 31.834 0.391 17610 16208 1 18 . 1 1 11 11 LYS H H 5 9.142 9.142 8.727 0.415 17610 16209 1 18 . 1 1 12 12 LEU N N 6 127.306 127.306 127.049 0.257 17610 16210 1 18 . 1 1 12 12 LEU HA H 6 4.970 4.970 4.447 0.523 17610 16211 1 18 . 1 1 12 12 LEU C C 6 175.298 175.298 175.748 -0.450 17610 16212 1 18 . 1 1 12 12 LEU CA C 6 52.743 52.743 53.921 -1.178 17610 16213 1 18 . 1 1 12 12 LEU CB C 6 43.063 43.063 42.370 0.694 17610 16214 1 18 . 1 1 12 12 LEU H H 6 9.150 9.150 8.511 0.639 17610 16215 1 18 . 1 1 13 13 VAL N N 7 123.170 123.170 126.557 -3.387 17610 16216 1 18 . 1 1 13 13 VAL HA H 7 4.827 4.827 4.055 0.772 17610 16217 1 18 . 1 1 13 13 VAL C C 7 174.230 174.230 175.444 -1.214 17610 16218 1 18 . 1 1 13 13 VAL CB C 7 34.048 34.048 30.890 3.158 17610 16219 1 18 . 1 1 13 13 VAL H H 7 8.113 8.113 8.614 -0.501 17610 16220 1 18 . 1 1 14 14 VAL N N 8 129.854 129.854 128.796 1.058 17610 16221 1 18 . 1 1 14 14 VAL HA H 8 4.669 4.669 4.452 0.217 17610 16222 1 18 . 1 1 14 14 VAL C C 8 175.377 175.377 175.577 -0.200 17610 16223 1 18 . 1 1 14 14 VAL CA C 8 61.935 61.935 62.054 -0.119 17610 16224 1 18 . 1 1 14 14 VAL CB C 8 32.496 32.496 32.145 0.351 17610 16225 1 18 . 1 1 14 14 VAL H H 8 8.707 8.707 7.925 0.782 17610 16226 1 18 . 1 1 15 15 VAL N N 9 121.835 121.835 117.448 4.387 17610 16227 1 18 . 1 1 15 15 VAL HA H 9 4.616 4.616 4.557 0.059 17610 16228 1 18 . 1 1 15 15 VAL C C 9 172.824 172.824 173.752 -0.928 17610 16229 1 18 . 1 1 15 15 VAL CA C 9 58.963 58.963 59.271 -0.308 17610 16230 1 18 . 1 1 15 15 VAL CB C 9 35.405 35.405 34.202 1.203 17610 16231 1 18 . 1 1 15 15 VAL H H 9 9.107 9.107 8.890 0.217 17610 16232 1 18 . 1 1 16 16 GLY N N 10 109.233 109.233 110.344 -1.111 17610 16233 1 18 . 1 1 16 16 GLY C C 10 172.504 172.504 172.835 -0.331 17610 16234 1 18 . 1 1 16 16 GLY CA C 10 43.848 43.848 45.371 -1.523 17610 16235 1 18 . 1 1 16 16 GLY H H 10 7.394 7.394 8.167 -0.773 17610 16236 1 18 . 1 1 17 17 ALA N N 11 123.120 123.120 122.245 0.875 17610 16237 1 18 . 1 1 17 17 ALA HA H 11 4.547 4.547 4.903 -0.356 17610 16238 1 18 . 1 1 17 17 ALA C C 11 177.371 177.371 177.969 -0.598 17610 16239 1 18 . 1 1 17 17 ALA CA C 11 52.236 52.236 51.102 1.134 17610 16240 1 18 . 1 1 17 17 ALA CB C 11 19.807 19.807 19.375 0.432 17610 16241 1 18 . 1 1 17 17 ALA H H 11 9.054 9.054 8.573 0.481 17610 16242 1 18 . 1 1 18 18 GLY N N 12 107.391 107.391 110.304 -2.913 17610 16243 1 18 . 1 1 18 18 GLY C C 12 176.858 176.858 176.149 0.709 17610 16244 1 18 . 1 1 18 18 GLY CA C 12 46.465 46.465 46.220 0.245 17610 16245 1 18 . 1 1 18 18 GLY H H 12 8.694 8.694 8.478 0.216 17610 16246 1 18 . 1 1 19 19 GLY N N 13 114.596 114.596 109.885 4.711 17610 16247 1 18 . 1 1 19 19 GLY C C 13 174.661 174.661 174.123 0.538 17610 16248 1 18 . 1 1 19 19 GLY CA C 13 46.545 46.545 44.381 2.164 17610 16249 1 18 . 1 1 19 19 GLY H H 13 8.916 8.916 8.386 0.530 17610 16250 1 18 . 1 1 20 20 VAL N N 14 113.376 113.376 112.537 0.839 17610 16251 1 18 . 1 1 20 20 VAL HA H 14 4.008 4.008 4.537 -0.529 17610 16252 1 18 . 1 1 20 20 VAL C C 14 174.469 174.469 175.997 -1.528 17610 16253 1 18 . 1 1 20 20 VAL CA C 14 62.825 62.825 61.057 1.768 17610 16254 1 18 . 1 1 20 20 VAL CB C 14 31.740 31.740 33.124 -1.384 17610 16255 1 18 . 1 1 20 20 VAL H H 14 7.427 7.427 7.202 0.225 17610 16256 1 18 . 1 1 21 21 GLY N N 15 109.392 109.392 108.273 1.119 17610 16257 1 18 . 1 1 21 21 GLY C C 15 173.254 173.254 175.347 -2.093 17610 16258 1 18 . 1 1 21 21 GLY CA C 15 45.708 45.708 45.080 0.628 17610 16259 1 18 . 1 1 21 21 GLY H H 15 8.388 8.388 7.790 0.598 17610 16260 1 18 . 1 1 22 22 LYS N N 16 124.844 124.844 120.337 4.507 17610 16261 1 18 . 1 1 22 22 LYS HA H 16 3.537 3.537 4.022 -0.485 17610 16262 1 18 . 1 1 22 22 LYS C C 16 179.106 179.106 177.839 1.267 17610 16263 1 18 . 1 1 22 22 LYS CA C 16 60.990 60.990 59.498 1.492 17610 16264 1 18 . 1 1 22 22 LYS CB C 16 29.967 29.967 32.064 -2.097 17610 16265 1 18 . 1 1 22 22 LYS H H 16 9.097 9.097 8.227 0.870 17610 16266 1 18 . 1 1 23 23 SER N N 17 121.228 121.228 114.190 7.038 17610 16267 1 18 . 1 1 23 23 SER HA H 17 4.292 4.292 4.319 -0.027 17610 16268 1 18 . 1 1 23 23 SER C C 17 175.697 175.697 176.201 -0.504 17610 16269 1 18 . 1 1 23 23 SER CA C 17 61.346 61.346 60.643 0.703 17610 16270 1 18 . 1 1 23 23 SER CB C 17 61.337 61.337 62.023 -0.686 17610 16271 1 18 . 1 1 23 23 SER H H 17 9.546 9.546 8.550 0.996 17610 16272 1 18 . 1 1 24 24 ALA N N 18 126.557 126.557 125.730 0.827 17610 16273 1 18 . 1 1 24 24 ALA HA H 18 3.946 3.946 4.045 -0.099 17610 16274 1 18 . 1 1 24 24 ALA C C 18 181.834 181.834 179.646 2.188 17610 16275 1 18 . 1 1 24 24 ALA CA C 18 54.587 54.587 54.527 0.060 17610 16276 1 18 . 1 1 24 24 ALA CB C 18 18.539 18.539 18.194 0.345 17610 16277 1 18 . 1 1 24 24 ALA H H 18 9.189 9.189 7.850 1.339 17610 16278 1 18 . 1 1 25 25 LEU N N 19 121.712 121.712 117.446 4.266 17610 16279 1 18 . 1 1 25 25 LEU HA H 19 3.878 3.878 3.994 -0.116 17610 16280 1 18 . 1 1 25 25 LEU C C 19 177.485 177.485 179.277 -1.792 17610 16281 1 18 . 1 1 25 25 LEU CA C 19 58.729 58.729 57.871 0.858 17610 16282 1 18 . 1 1 25 25 LEU CB C 19 43.227 43.227 41.614 1.613 17610 16283 1 18 . 1 1 25 25 LEU H H 19 8.817 8.817 8.034 0.783 17610 16284 1 18 . 1 1 26 26 THR N N 20 118.148 118.148 116.275 1.873 17610 16285 1 18 . 1 1 26 26 THR HA H 20 3.401 3.401 3.827 -0.426 17610 16286 1 18 . 1 1 26 26 THR C C 20 175.714 175.714 176.660 -0.946 17610 16287 1 18 . 1 1 26 26 THR CA C 20 68.122 68.122 66.301 1.821 17610 16288 1 18 . 1 1 26 26 THR CB C 20 68.196 68.196 68.576 -0.380 17610 16289 1 18 . 1 1 26 26 THR H H 20 7.517 7.517 7.340 0.177 17610 16290 1 18 . 1 1 27 27 ILE N N 21 121.987 121.987 120.519 1.468 17610 16291 1 18 . 1 1 27 27 ILE HA H 21 3.302 3.302 3.389 -0.087 17610 16292 1 18 . 1 1 27 27 ILE C C 21 175.380 175.380 178.087 -2.707 17610 16293 1 18 . 1 1 27 27 ILE CA C 21 64.278 64.278 63.342 0.936 17610 16294 1 18 . 1 1 27 27 ILE CB C 21 36.758 36.758 36.057 0.701 17610 16295 1 18 . 1 1 27 27 ILE H H 21 8.950 8.950 7.574 1.376 17610 16296 1 18 . 1 1 28 28 GLN N N 22 121.898 121.898 119.018 2.880 17610 16297 1 18 . 1 1 28 28 GLN HA H 22 4.334 4.334 4.060 0.274 17610 16298 1 18 . 1 1 28 28 GLN C C 22 179.058 179.058 178.850 0.208 17610 16299 1 18 . 1 1 28 28 GLN CA C 22 58.796 58.796 59.260 -0.464 17610 16300 1 18 . 1 1 28 28 GLN CB C 22 29.752 29.752 28.770 0.982 17610 16301 1 18 . 1 1 28 28 GLN H H 22 8.094 8.094 7.716 0.378 17610 16302 1 18 . 1 1 29 29 LEU N N 23 121.426 121.426 118.547 2.879 17610 16303 1 18 . 1 1 29 29 LEU HA H 23 3.765 3.765 4.057 -0.292 17610 16304 1 18 . 1 1 29 29 LEU C C 23 178.155 178.155 176.819 1.336 17610 16305 1 18 . 1 1 29 29 LEU CA C 23 58.304 58.304 56.138 2.166 17610 16306 1 18 . 1 1 29 29 LEU CB C 23 40.637 40.637 41.796 -1.159 17610 16307 1 18 . 1 1 29 29 LEU H H 23 7.746 7.746 7.470 0.276 17610 16308 1 18 . 1 1 30 30 ILE N N 24 115.325 115.325 116.826 -1.501 17610 16309 1 18 . 1 1 30 30 ILE HA H 24 3.697 3.697 3.939 -0.242 17610 16310 1 18 . 1 1 30 30 ILE C C 24 177.421 177.421 176.732 0.689 17610 16311 1 18 . 1 1 30 30 ILE CA C 24 62.050 62.050 61.898 0.152 17610 16312 1 18 . 1 1 30 30 ILE CB C 24 37.183 37.183 38.523 -1.340 17610 16313 1 18 . 1 1 30 30 ILE H H 24 8.115 8.115 7.228 0.887 17610 16314 1 18 . 1 1 31 31 GLN N N 25 117.213 117.213 116.413 0.800 17610 16315 1 18 . 1 1 31 31 GLN HA H 25 4.539 4.539 4.225 0.314 17610 16316 1 18 . 1 1 31 31 GLN C C 25 176.149 176.149 176.286 -0.137 17610 16317 1 18 . 1 1 31 31 GLN CA C 25 55.234 55.234 56.733 -1.499 17610 16318 1 18 . 1 1 31 31 GLN CB C 25 30.184 30.184 30.080 0.104 17610 16319 1 18 . 1 1 31 31 GLN H H 25 8.887 8.887 8.048 0.839 17610 16320 1 18 . 1 1 32 32 ASN N N 26 117.820 117.820 114.369 3.451 17610 16321 1 18 . 1 1 32 32 ASN HA H 26 4.807 4.807 4.398 0.409 17610 16322 1 18 . 1 1 32 32 ASN C C 26 174.051 174.051 174.667 -0.616 17610 16323 1 18 . 1 1 32 32 ASN CA C 26 54.310 54.310 54.645 -0.335 17610 16324 1 18 . 1 1 32 32 ASN CB C 26 37.184 37.184 36.034 1.150 17610 16325 1 18 . 1 1 32 32 ASN H H 26 7.982 7.982 8.637 -0.655 17610 16326 1 18 . 1 1 33 33 HIS N N 27 112.968 112.968 115.071 -2.103 17610 16327 1 18 . 1 1 33 33 HIS HA H 27 4.889 4.889 4.732 0.157 17610 16328 1 18 . 1 1 33 33 HIS C C 27 172.514 172.514 174.883 -2.369 17610 16329 1 18 . 1 1 33 33 HIS CA C 27 54.314 54.314 55.383 -1.069 17610 16330 1 18 . 1 1 33 33 HIS CB C 27 32.616 32.616 31.534 1.082 17610 16331 1 18 . 1 1 33 33 HIS H H 27 6.804 6.804 8.058 -1.254 17610 16332 1 18 . 1 1 34 34 PHE N N 28 123.605 123.605 118.339 5.266 17610 16333 1 18 . 1 1 34 34 PHE HA H 28 4.914 4.914 3.906 1.008 17610 16334 1 18 . 1 1 34 34 PHE C C 28 174.641 174.641 173.780 0.861 17610 16335 1 18 . 1 1 34 34 PHE CA C 28 55.754 55.754 58.084 -2.330 17610 16336 1 18 . 1 1 34 34 PHE CB C 28 40.573 40.573 38.360 2.213 17610 16337 1 18 . 1 1 34 34 PHE H H 28 8.462 8.462 7.731 0.731 17610 16338 1 18 . 1 1 35 35 VAL N N 29 126.695 126.695 123.039 3.656 17610 16339 1 18 . 1 1 35 35 VAL HA H 29 3.911 3.911 3.694 0.217 17610 16340 1 18 . 1 1 35 35 VAL C C 29 173.764 173.764 175.229 -1.465 17610 16341 1 18 . 1 1 35 35 VAL CA C 29 61.275 61.275 63.950 -2.675 17610 16342 1 18 . 1 1 35 35 VAL CB C 29 33.154 33.154 31.729 1.425 17610 16343 1 18 . 1 1 35 35 VAL H H 29 7.537 7.537 7.776 -0.239 17610 16344 1 18 . 1 1 36 36 ASP N N 30 123.271 123.271 122.800 0.471 17610 16345 1 18 . 1 1 36 36 ASP HA H 30 4.185 4.185 4.655 -0.470 17610 16346 1 18 . 1 1 36 36 ASP C C 30 176.129 176.129 175.518 0.611 17610 16347 1 18 . 1 1 36 36 ASP CA C 30 54.662 54.662 55.000 -0.338 17610 16348 1 18 . 1 1 36 36 ASP CB C 30 41.323 41.323 41.793 -0.470 17610 16349 1 18 . 1 1 36 36 ASP H H 30 7.618 7.618 8.605 -0.987 17610 16350 1 18 . 1 1 37 37 GLU N N 31 119.730 119.730 119.444 0.286 17610 16351 1 18 . 1 1 37 37 GLU HA H 31 4.262 4.262 4.381 -0.119 17610 16352 1 18 . 1 1 37 37 GLU C C 31 174.901 174.901 175.933 -1.032 17610 16353 1 18 . 1 1 37 37 GLU CA C 31 56.137 56.137 56.104 0.033 17610 16354 1 18 . 1 1 37 37 GLU CB C 31 30.459 30.459 30.193 0.266 17610 16355 1 18 . 1 1 37 37 GLU H H 31 7.857 7.857 8.532 -0.675 17610 16356 1 18 . 1 1 38 38 TYR N N 32 123.296 123.296 119.380 3.916 17610 16357 1 18 . 1 1 38 38 TYR HA H 32 4.486 4.486 4.600 -0.114 17610 16358 1 18 . 1 1 38 38 TYR C C 32 174.370 174.370 175.282 -0.912 17610 16359 1 18 . 1 1 38 38 TYR CA C 32 57.511 57.511 57.769 -0.258 17610 16360 1 18 . 1 1 38 38 TYR CB C 32 39.199 39.199 38.815 0.384 17610 16361 1 18 . 1 1 38 38 TYR H H 32 8.244 8.244 8.047 0.197 17610 16362 1 18 . 1 1 39 39 ASP N N 33 127.452 127.452 121.391 6.061 17610 16363 1 18 . 1 1 39 39 ASP HA H 33 4.891 4.891 4.735 0.156 17610 16364 1 18 . 1 1 39 39 ASP CA C 33 51.207 51.207 52.541 -1.334 17610 16365 1 18 . 1 1 39 39 ASP CB C 33 41.837 41.837 41.740 0.097 17610 16366 1 18 . 1 1 39 39 ASP H H 33 8.158 8.158 8.513 -0.355 17610 16367 1 18 . 1 1 40 40 PRO HA H 34 4.405 4.405 4.270 0.135 17610 16368 1 18 . 1 1 40 40 PRO C C 34 176.938 176.938 176.995 -0.057 17610 16369 1 18 . 1 1 40 40 PRO CA C 34 63.068 63.068 63.553 -0.485 17610 16370 1 18 . 1 1 40 40 PRO CB C 34 32.089 32.089 32.120 -0.031 17610 16371 1 18 . 1 1 41 41 SER N N 35 117.575 117.575 115.408 2.167 17610 16372 1 18 . 1 1 41 41 SER HA H 35 4.433 4.433 4.330 0.103 17610 16373 1 18 . 1 1 41 41 SER C C 35 174.777 174.777 174.778 -0.001 17610 16374 1 18 . 1 1 41 41 SER CA C 35 58.346 58.346 57.929 0.417 17610 16375 1 18 . 1 1 41 41 SER CB C 35 63.704 63.704 63.748 -0.044 17610 16376 1 18 . 1 1 41 41 SER H H 35 8.495 8.495 7.601 0.894 17610 16377 1 18 . 1 1 42 42 ILE N N 36 123.018 123.018 115.924 7.094 17610 16378 1 18 . 1 1 42 42 ILE HA H 36 4.219 4.219 3.793 0.426 17610 16379 1 18 . 1 1 42 42 ILE C C 36 175.966 175.966 174.965 1.001 17610 16380 1 18 . 1 1 42 42 ILE CA C 36 61.665 61.665 62.485 -0.820 17610 16381 1 18 . 1 1 42 42 ILE CB C 36 38.745 38.745 37.943 0.802 17610 16382 1 18 . 1 1 42 42 ILE H H 36 7.919 7.919 8.201 -0.282 17610 16383 1 18 . 1 1 43 43 GLU N N 37 124.699 124.699 121.246 3.453 17610 16384 1 18 . 1 1 43 43 GLU HA H 37 4.381 4.381 4.389 -0.008 17610 16385 1 18 . 1 1 43 43 GLU C C 37 179.069 179.069 175.756 3.313 17610 16386 1 18 . 1 1 43 43 GLU CA C 37 56.223 56.223 55.896 0.327 17610 16387 1 18 . 1 1 43 43 GLU CB C 37 30.616 30.616 30.561 0.055 17610 16388 1 18 . 1 1 43 43 GLU H H 37 8.201 8.201 8.271 -0.070 17610 16389 1 18 . 1 1 44 44 ASP N N 38 121.902 121.902 118.974 2.928 17610 16390 1 18 . 1 1 44 44 ASP HA H 38 4.622 4.622 4.726 -0.104 17610 16391 1 18 . 1 1 44 44 ASP C C 38 174.634 174.634 174.659 -0.025 17610 16392 1 18 . 1 1 44 44 ASP CA C 38 54.095 54.095 53.998 0.097 17610 16393 1 18 . 1 1 44 44 ASP CB C 38 41.837 41.837 41.786 0.051 17610 16394 1 18 . 1 1 44 44 ASP H H 38 8.094 8.094 8.547 -0.453 17610 16395 1 18 . 1 1 45 45 SER N N 39 114.779 114.779 114.851 -0.072 17610 16396 1 18 . 1 1 45 45 SER HA H 39 4.923 4.923 4.736 0.187 17610 16397 1 18 . 1 1 45 45 SER C C 39 173.339 173.339 173.006 0.333 17610 16398 1 18 . 1 1 45 45 SER CA C 39 57.023 57.023 57.879 -0.856 17610 16399 1 18 . 1 1 45 45 SER CB C 39 64.751 64.751 64.493 0.258 17610 16400 1 18 . 1 1 45 45 SER H H 39 7.792 7.792 7.332 0.460 17610 16401 1 18 . 1 1 46 46 TYR N N 40 124.235 124.235 125.341 -1.106 17610 16402 1 18 . 1 1 46 46 TYR HA H 40 4.662 4.662 4.734 -0.072 17610 16403 1 18 . 1 1 46 46 TYR C C 40 173.910 173.910 174.148 -0.238 17610 16404 1 18 . 1 1 46 46 TYR CA C 40 56.944 56.944 56.489 0.455 17610 16405 1 18 . 1 1 46 46 TYR CB C 40 41.323 41.323 42.569 -1.246 17610 16406 1 18 . 1 1 46 46 TYR H H 40 8.976 8.976 8.898 0.078 17610 16407 1 18 . 1 1 47 47 ARG N N 41 121.906 121.906 119.225 2.681 17610 16408 1 18 . 1 1 47 47 ARG HA H 41 5.802 5.802 4.829 0.973 17610 16409 1 18 . 1 1 47 47 ARG C C 41 176.150 176.150 175.158 0.992 17610 16410 1 18 . 1 1 47 47 ARG CA C 41 54.129 54.129 55.010 -0.881 17610 16411 1 18 . 1 1 47 47 ARG CB C 41 34.105 34.105 32.782 1.323 17610 16412 1 18 . 1 1 47 47 ARG H H 41 8.238 8.238 8.617 -0.379 17610 16413 1 18 . 1 1 48 48 LYS N N 42 123.924 123.924 123.172 0.752 17610 16414 1 18 . 1 1 48 48 LYS HA H 42 4.508 4.508 4.589 -0.081 17610 16415 1 18 . 1 1 48 48 LYS C C 42 173.710 173.710 174.799 -1.089 17610 16416 1 18 . 1 1 48 48 LYS CA C 42 55.651 55.651 55.058 0.593 17610 16417 1 18 . 1 1 48 48 LYS CB C 42 38.139 38.139 35.836 2.303 17610 16418 1 18 . 1 1 48 48 LYS H H 42 8.705 8.705 8.359 0.346 17610 16419 1 18 . 1 1 49 49 GLN N N 43 130.301 130.301 126.943 3.358 17610 16420 1 18 . 1 1 49 49 GLN HA H 43 5.230 5.230 4.344 0.886 17610 16421 1 18 . 1 1 49 49 GLN C C 43 175.254 175.254 174.847 0.407 17610 16422 1 18 . 1 1 49 49 GLN CA C 43 55.496 55.496 55.840 -0.344 17610 16423 1 18 . 1 1 49 49 GLN CB C 43 29.892 29.892 29.530 0.362 17610 16424 1 18 . 1 1 49 49 GLN H H 43 8.897 8.897 8.701 0.196 17610 16425 1 18 . 1 1 50 50 VAL N N 44 122.354 122.354 120.537 1.817 17610 16426 1 18 . 1 1 50 50 VAL HA H 44 4.772 4.772 4.620 0.152 17610 16427 1 18 . 1 1 50 50 VAL C C 44 173.116 173.116 173.105 0.011 17610 16428 1 18 . 1 1 50 50 VAL CA C 44 59.238 59.238 59.357 -0.119 17610 16429 1 18 . 1 1 50 50 VAL CB C 44 35.888 35.888 35.096 0.792 17610 16430 1 18 . 1 1 50 50 VAL H H 44 9.104 9.104 8.720 0.384 17610 16431 1 18 . 1 1 51 51 VAL N N 45 122.385 122.385 121.215 1.170 17610 16432 1 18 . 1 1 51 51 VAL HA H 45 4.462 4.462 4.555 -0.093 17610 16433 1 18 . 1 1 51 51 VAL C C 45 175.450 175.450 174.944 0.506 17610 16434 1 18 . 1 1 51 51 VAL CA C 45 61.832 61.832 59.831 2.001 17610 16435 1 18 . 1 1 51 51 VAL CB C 45 32.228 32.228 33.215 -0.987 17610 16436 1 18 . 1 1 51 51 VAL H H 45 8.100 8.100 8.392 -0.292 17610 16437 1 18 . 1 1 52 52 ILE N N 46 126.953 126.953 129.190 -2.237 17610 16438 1 18 . 1 1 52 52 ILE HA H 46 3.995 3.995 4.093 -0.098 17610 16439 1 18 . 1 1 52 52 ILE C C 46 176.424 176.424 175.691 0.733 17610 16440 1 18 . 1 1 52 52 ILE CA C 46 60.343 60.343 59.278 1.065 17610 16441 1 18 . 1 1 52 52 ILE CB C 46 40.096 40.096 36.640 3.456 17610 16442 1 18 . 1 1 52 52 ILE H H 46 8.118 8.118 8.571 -0.453 17610 16443 1 18 . 1 1 53 53 ASP N N 47 132.206 132.206 128.287 3.919 17610 16444 1 18 . 1 1 53 53 ASP HA H 47 4.267 4.267 4.354 -0.087 17610 16445 1 18 . 1 1 53 53 ASP C C 47 176.121 176.121 176.681 -0.560 17610 16446 1 18 . 1 1 53 53 ASP CA C 47 55.267 55.267 54.979 0.288 17610 16447 1 18 . 1 1 53 53 ASP CB C 47 39.203 39.203 40.765 -1.562 17610 16448 1 18 . 1 1 53 53 ASP H H 47 9.605 9.605 8.845 0.760 17610 16449 1 18 . 1 1 54 54 GLY N N 48 104.275 104.275 103.678 0.597 17610 16450 1 18 . 1 1 54 54 GLY C C 48 173.219 173.219 173.346 -0.127 17610 16451 1 18 . 1 1 54 54 GLY CA C 48 45.318 45.318 45.319 -0.001 17610 16452 1 18 . 1 1 54 54 GLY H H 48 8.332 8.332 8.294 0.038 17610 16453 1 18 . 1 1 55 55 GLU N N 49 123.384 123.384 119.895 3.489 17610 16454 1 18 . 1 1 55 55 GLU HA H 49 4.691 4.691 4.599 0.092 17610 16455 1 18 . 1 1 55 55 GLU C C 49 175.614 175.614 175.397 0.217 17610 16456 1 18 . 1 1 55 55 GLU CA C 49 54.719 54.719 54.185 0.534 17610 16457 1 18 . 1 1 55 55 GLU CB C 49 31.803 31.803 31.081 0.722 17610 16458 1 18 . 1 1 55 55 GLU H H 49 7.684 7.684 8.082 -0.398 17610 16459 1 18 . 1 1 56 56 THR N N 50 127.153 127.153 123.461 3.692 17610 16460 1 18 . 1 1 56 56 THR HA H 50 4.727 4.727 4.468 0.259 17610 16461 1 18 . 1 1 56 56 THR C C 50 173.530 173.530 174.291 -0.761 17610 16462 1 18 . 1 1 56 56 THR CA C 50 63.521 63.521 64.728 -1.207 17610 16463 1 18 . 1 1 56 56 THR CB C 50 68.478 68.478 68.853 -0.375 17610 16464 1 18 . 1 1 56 56 THR H H 50 8.951 8.951 8.757 0.194 17610 16465 1 18 . 1 1 57 57 CYS N N 51 124.835 124.835 123.473 1.362 17610 16466 1 18 . 1 1 57 57 CYS HA H 51 5.086 5.086 4.595 0.491 17610 16467 1 18 . 1 1 57 57 CYS C C 51 170.937 170.937 172.744 -1.807 17610 16468 1 18 . 1 1 57 57 CYS CA C 51 56.423 56.423 58.303 -1.880 17610 16469 1 18 . 1 1 57 57 CYS CB C 51 31.549 31.549 32.090 -0.541 17610 16470 1 18 . 1 1 57 57 CYS H H 51 9.424 9.424 9.062 0.362 17610 16471 1 18 . 1 1 58 58 LEU N N 52 123.111 123.111 122.637 0.474 17610 16472 1 18 . 1 1 58 58 LEU HA H 52 4.943 4.943 4.661 0.282 17610 16473 1 18 . 1 1 58 58 LEU C C 52 175.044 175.044 175.722 -0.678 17610 16474 1 18 . 1 1 58 58 LEU CA C 52 53.372 53.372 54.864 -1.492 17610 16475 1 18 . 1 1 58 58 LEU CB C 52 44.304 44.304 43.678 0.626 17610 16476 1 18 . 1 1 58 58 LEU H H 52 8.803 8.803 9.082 -0.279 17610 16477 1 18 . 1 1 59 59 LEU N N 53 124.540 124.540 124.570 -0.030 17610 16478 1 18 . 1 1 59 59 LEU HA H 53 4.888 4.888 4.625 0.263 17610 16479 1 18 . 1 1 59 59 LEU C C 53 174.358 174.358 174.992 -0.634 17610 16480 1 18 . 1 1 59 59 LEU CA C 53 53.490 53.490 53.835 -0.345 17610 16481 1 18 . 1 1 59 59 LEU CB C 53 42.195 42.195 42.507 -0.312 17610 16482 1 18 . 1 1 59 59 LEU H H 53 9.054 9.054 8.879 0.175 17610 16483 1 18 . 1 1 60 60 ASP N N 54 126.666 126.666 125.045 1.621 17610 16484 1 18 . 1 1 60 60 ASP HA H 54 5.225 5.225 4.835 0.390 17610 16485 1 18 . 1 1 60 60 ASP C C 54 174.846 174.846 175.723 -0.877 17610 16486 1 18 . 1 1 60 60 ASP CA C 54 53.040 53.040 54.726 -1.686 17610 16487 1 18 . 1 1 60 60 ASP CB C 54 42.622 42.622 41.063 1.559 17610 16488 1 18 . 1 1 60 60 ASP H H 54 8.739 8.739 8.207 0.532 17610 16489 1 18 . 1 1 61 61 ILE N N 55 125.100 125.100 125.065 0.035 17610 16490 1 18 . 1 1 61 61 ILE HA H 55 4.690 4.690 4.222 0.468 17610 16491 1 18 . 1 1 61 61 ILE C C 55 174.745 174.745 174.821 -0.076 17610 16492 1 18 . 1 1 61 61 ILE CA C 55 60.331 60.331 58.981 1.350 17610 16493 1 18 . 1 1 61 61 ILE CB C 55 39.682 39.682 36.528 3.154 17610 16494 1 18 . 1 1 61 61 ILE H H 55 9.115 9.115 8.809 0.306 17610 16495 1 18 . 1 1 62 62 LEU N N 56 131.208 131.208 129.577 1.631 17610 16496 1 18 . 1 1 62 62 LEU HA H 56 4.667 4.667 4.610 0.057 17610 16497 1 18 . 1 1 62 62 LEU C C 56 174.063 174.063 174.235 -0.172 17610 16498 1 18 . 1 1 62 62 LEU CA C 56 53.795 53.795 53.943 -0.148 17610 16499 1 18 . 1 1 62 62 LEU CB C 56 42.256 42.256 44.549 -2.293 17610 16500 1 18 . 1 1 62 62 LEU H H 56 9.014 9.014 7.955 1.059 17610 16501 1 18 . 1 1 63 63 ASP N N 57 128.415 128.415 126.531 1.884 17610 16502 1 18 . 1 1 63 63 ASP HA H 57 4.783 4.783 4.914 -0.131 17610 16503 1 18 . 1 1 63 63 ASP C C 57 176.341 176.341 175.628 0.713 17610 16504 1 18 . 1 1 63 63 ASP CA C 57 52.988 52.988 52.028 0.960 17610 16505 1 18 . 1 1 63 63 ASP CB C 57 41.837 41.837 42.910 -1.073 17610 16506 1 18 . 1 1 63 63 ASP H H 57 8.657 8.657 8.591 0.066 17610 16507 1 18 . 1 1 64 64 THR N N 58 114.950 114.950 116.675 -1.725 17610 16508 1 18 . 1 1 64 64 THR HA H 58 4.425 4.425 4.258 0.167 17610 16509 1 18 . 1 1 64 64 THR C C 58 172.734 172.734 174.457 -1.723 17610 16510 1 18 . 1 1 64 64 THR CA C 58 61.488 61.488 61.164 0.324 17610 16511 1 18 . 1 1 64 64 THR CB C 58 71.398 71.398 69.995 1.403 17610 16512 1 18 . 1 1 64 64 THR H H 58 7.369 7.369 8.101 -0.732 17610 16513 1 18 . 1 1 65 65 ALA N N 59 123.940 123.940 122.289 1.651 17610 16514 1 18 . 1 1 65 65 ALA HA H 59 4.764 4.764 4.218 0.546 17610 16515 1 18 . 1 1 65 65 ALA C C 59 179.480 179.480 177.718 1.762 17610 16516 1 18 . 1 1 65 65 ALA CA C 59 51.422 51.422 53.093 -1.671 17610 16517 1 18 . 1 1 65 65 ALA CB C 59 20.796 20.796 19.816 0.980 17610 16518 1 18 . 1 1 65 65 ALA H H 59 8.329 8.329 8.543 -0.214 17610 16519 1 18 . 1 1 66 66 GLY N N 60 112.527 112.527 105.635 6.892 17610 16520 1 18 . 1 1 66 66 GLY C C 60 174.938 174.938 175.142 -0.204 17610 16521 1 18 . 1 1 66 66 GLY CA C 60 46.057 46.057 45.611 0.446 17610 16522 1 18 . 1 1 66 66 GLY H H 60 9.397 9.397 8.413 0.984 17610 16523 1 18 . 1 1 67 67 GLN N N 61 120.877 120.877 117.324 3.553 17610 16524 1 18 . 1 1 67 67 GLN HA H 61 4.422 4.422 4.493 -0.071 17610 16525 1 18 . 1 1 67 67 GLN C C 61 176.298 176.298 176.270 0.028 17610 16526 1 18 . 1 1 67 67 GLN CA C 61 56.355 56.355 55.904 0.451 17610 16527 1 18 . 1 1 67 67 GLN CB C 61 29.438 29.438 29.049 0.389 17610 16528 1 18 . 1 1 67 67 GLN H H 61 8.237 8.237 8.216 0.021 17610 16529 1 18 . 1 1 68 68 GLU N N 62 123.751 123.751 120.823 2.928 17610 16530 1 18 . 1 1 68 68 GLU HA H 62 4.208 4.208 4.269 -0.061 17610 16531 1 18 . 1 1 68 68 GLU C C 62 177.032 177.032 176.746 0.286 17610 16532 1 18 . 1 1 68 68 GLU CA C 62 57.801 57.801 56.507 1.294 17610 16533 1 18 . 1 1 68 68 GLU CB C 62 29.834 29.834 30.046 -0.212 17610 16534 1 18 . 1 1 68 68 GLU H H 62 8.738 8.738 8.176 0.562 17610 16535 1 18 . 1 1 69 69 GLU N N 63 121.861 121.861 118.520 3.341 17610 16536 1 18 . 1 1 69 69 GLU HA H 63 4.228 4.228 3.982 0.246 17610 16537 1 18 . 1 1 69 69 GLU C C 63 176.145 176.145 176.488 -0.343 17610 16538 1 18 . 1 1 69 69 GLU CA C 63 57.026 57.026 58.619 -1.593 17610 16539 1 18 . 1 1 69 69 GLU CB C 63 30.231 30.231 29.009 1.222 17610 16540 1 18 . 1 1 69 69 GLU H H 63 8.607 8.607 8.533 0.074 17610 16541 1 18 . 1 1 70 70 TYR N N 64 121.801 121.801 119.740 2.061 17610 16542 1 18 . 1 1 70 70 TYR HA H 64 4.587 4.587 4.240 0.347 17610 16543 1 18 . 1 1 70 70 TYR C C 64 175.965 175.965 176.474 -0.509 17610 16544 1 18 . 1 1 70 70 TYR CA C 64 58.160 58.160 58.324 -0.164 17610 16545 1 18 . 1 1 70 70 TYR CB C 64 38.288 38.288 37.279 1.009 17610 16546 1 18 . 1 1 70 70 TYR H H 64 8.225 8.225 8.233 -0.008 17610 16547 1 18 . 1 1 71 71 SER N N 65 120.137 120.137 120.405 -0.268 17610 16548 1 18 . 1 1 71 71 SER HA H 65 4.269 4.269 4.226 0.043 17610 16549 1 18 . 1 1 71 71 SER C C 65 174.912 174.912 175.871 -0.959 17610 16550 1 18 . 1 1 71 71 SER CA C 65 58.755 58.755 60.365 -1.610 17610 16551 1 18 . 1 1 71 71 SER CB C 65 63.755 63.755 63.453 0.302 17610 16552 1 18 . 1 1 71 71 SER H H 65 7.884 7.884 8.596 -0.712 17610 16553 1 18 . 1 1 72 72 ALA N N 66 127.848 127.848 124.337 3.511 17610 16554 1 18 . 1 1 72 72 ALA HA H 66 4.193 4.193 4.142 0.051 17610 16555 1 18 . 1 1 72 72 ALA C C 66 179.820 179.820 179.936 -0.116 17610 16556 1 18 . 1 1 72 72 ALA CA C 66 54.595 54.595 54.929 -0.334 17610 16557 1 18 . 1 1 72 72 ALA CB C 66 18.264 18.264 18.368 -0.104 17610 16558 1 18 . 1 1 72 72 ALA H H 66 8.706 8.706 8.435 0.271 17610 16559 1 18 . 1 1 73 73 MET N N 67 118.448 118.448 116.654 1.794 17610 16560 1 18 . 1 1 73 73 MET HA H 67 4.271 4.271 3.922 0.349 17610 16561 1 18 . 1 1 73 73 MET C C 67 177.098 177.098 177.853 -0.755 17610 16562 1 18 . 1 1 73 73 MET CA C 67 56.915 56.915 58.020 -1.105 17610 16563 1 18 . 1 1 73 73 MET CB C 67 32.031 32.031 32.132 -0.101 17610 16564 1 18 . 1 1 73 73 MET H H 67 8.007 8.007 8.100 -0.093 17610 16565 1 18 . 1 1 74 74 ARG N N 68 121.351 121.351 120.216 1.135 17610 16566 1 18 . 1 1 74 74 ARG HA H 68 3.793 3.793 4.135 -0.342 17610 16567 1 18 . 1 1 74 74 ARG C C 68 177.730 177.730 178.638 -0.908 17610 16568 1 18 . 1 1 74 74 ARG CA C 68 59.093 59.093 59.892 -0.800 17610 16569 1 18 . 1 1 74 74 ARG CB C 68 30.118 30.118 30.090 0.028 17610 16570 1 18 . 1 1 74 74 ARG H H 68 7.761 7.761 7.806 -0.045 17610 16571 1 18 . 1 1 75 75 ASP N N 69 119.938 119.938 118.924 1.014 17610 16572 1 18 . 1 1 75 75 ASP HA H 69 4.286 4.286 4.499 -0.213 17610 16573 1 18 . 1 1 75 75 ASP C C 69 177.998 177.998 178.186 -0.188 17610 16574 1 18 . 1 1 75 75 ASP CA C 69 57.555 57.555 57.365 0.190 17610 16575 1 18 . 1 1 75 75 ASP CB C 69 40.401 40.401 40.247 0.154 17610 16576 1 18 . 1 1 75 75 ASP H H 69 8.077 8.077 7.904 0.173 17610 16577 1 18 . 1 1 76 76 GLN N N 70 119.151 119.151 120.235 -1.084 17610 16578 1 18 . 1 1 76 76 GLN HA H 70 4.050 4.050 4.032 0.018 17610 16579 1 18 . 1 1 76 76 GLN C C 70 178.837 178.837 178.310 0.527 17610 16580 1 18 . 1 1 76 76 GLN CA C 70 58.920 58.920 58.906 0.014 17610 16581 1 18 . 1 1 76 76 GLN CB C 70 28.063 28.063 28.218 -0.155 17610 16582 1 18 . 1 1 76 76 GLN H H 70 7.789 7.789 7.271 0.518 17610 16583 1 18 . 1 1 77 77 TYR N N 71 119.847 119.847 118.469 1.378 17610 16584 1 18 . 1 1 77 77 TYR HA H 71 4.548 4.548 4.444 0.104 17610 16585 1 18 . 1 1 77 77 TYR C C 71 178.680 178.680 178.544 0.136 17610 16586 1 18 . 1 1 77 77 TYR CA C 71 58.785 58.785 59.660 -0.875 17610 16587 1 18 . 1 1 77 77 TYR CB C 71 36.986 36.986 37.940 -0.954 17610 16588 1 18 . 1 1 77 77 TYR H H 71 8.131 8.131 7.450 0.681 17610 16589 1 18 . 1 1 78 78 MET N N 72 119.987 119.987 118.008 1.979 17610 16590 1 18 . 1 1 78 78 MET HA H 72 4.402 4.402 4.461 -0.059 17610 16591 1 18 . 1 1 78 78 MET C C 72 177.008 177.008 178.970 -1.962 17610 16592 1 18 . 1 1 78 78 MET CA C 72 59.028 59.028 59.676 -0.648 17610 16593 1 18 . 1 1 78 78 MET CB C 72 32.709 32.709 32.377 0.332 17610 16594 1 18 . 1 1 78 78 MET H H 72 8.380 8.380 7.726 0.654 17610 16595 1 18 . 1 1 79 79 ARG N N 73 117.792 117.792 115.794 1.998 17610 16596 1 18 . 1 1 79 79 ARG HA H 73 3.914 3.914 4.258 -0.344 17610 16597 1 18 . 1 1 79 79 ARG C C 73 178.169 178.169 177.890 0.279 17610 16598 1 18 . 1 1 79 79 ARG CA C 73 59.493 59.493 58.717 0.776 17610 16599 1 18 . 1 1 79 79 ARG CB C 73 30.100 30.100 30.321 -0.221 17610 16600 1 18 . 1 1 79 79 ARG H H 73 7.992 7.992 7.779 0.213 17610 16601 1 18 . 1 1 80 80 THR N N 74 110.012 110.012 108.240 1.772 17610 16602 1 18 . 1 1 80 80 THR HA H 74 4.242 4.242 4.438 -0.196 17610 16603 1 18 . 1 1 80 80 THR C C 74 175.640 175.640 175.063 0.577 17610 16604 1 18 . 1 1 80 80 THR CA C 74 62.863 62.863 62.314 0.549 17610 16605 1 18 . 1 1 80 80 THR CB C 74 69.808 69.808 70.302 -0.494 17610 16606 1 18 . 1 1 80 80 THR H H 74 7.718 7.718 7.523 0.195 17610 16607 1 18 . 1 1 81 81 GLY N N 75 109.297 109.297 109.759 -0.462 17610 16608 1 18 . 1 1 81 81 GLY C C 75 172.419 172.419 173.677 -1.258 17610 16609 1 18 . 1 1 81 81 GLY CA C 75 46.504 46.504 44.054 2.450 17610 16610 1 18 . 1 1 81 81 GLY H H 75 7.852 7.852 7.557 0.295 17610 16611 1 18 . 1 1 82 82 GLU N N 76 122.399 122.399 123.289 -0.890 17610 16612 1 18 . 1 1 82 82 GLU HA H 76 4.523 4.523 4.077 0.446 17610 16613 1 18 . 1 1 82 82 GLU C C 76 176.409 176.409 176.286 0.123 17610 16614 1 18 . 1 1 82 82 GLU CA C 76 56.469 56.469 58.838 -2.369 17610 16615 1 18 . 1 1 82 82 GLU CB C 76 32.049 32.049 30.157 1.892 17610 16616 1 18 . 1 1 82 82 GLU H H 76 8.879 8.879 8.013 0.866 17610 16617 1 18 . 1 1 83 83 GLY N N 77 102.282 102.282 104.379 -2.097 17610 16618 1 18 . 1 1 83 83 GLY C C 77 170.803 170.803 171.579 -0.776 17610 16619 1 18 . 1 1 83 83 GLY CA C 77 45.453 45.453 44.739 0.714 17610 16620 1 18 . 1 1 83 83 GLY H H 77 7.192 7.192 7.373 -0.181 17610 16621 1 18 . 1 1 84 84 PHE N N 78 122.648 122.648 117.215 5.433 17610 16622 1 18 . 1 1 84 84 PHE HA H 78 5.448 5.448 5.543 -0.095 17610 16623 1 18 . 1 1 84 84 PHE C C 78 173.734 173.734 174.160 -0.426 17610 16624 1 18 . 1 1 84 84 PHE CA C 78 57.065 57.065 56.566 0.499 17610 16625 1 18 . 1 1 84 84 PHE CB C 78 42.997 42.997 44.060 -1.063 17610 16626 1 18 . 1 1 84 84 PHE H H 78 8.224 8.224 8.419 -0.195 17610 16627 1 18 . 1 1 85 85 LEU N N 79 127.298 127.298 122.219 5.079 17610 16628 1 18 . 1 1 85 85 LEU HA H 79 4.690 4.690 5.000 -0.310 17610 16629 1 18 . 1 1 85 85 LEU C C 79 174.690 174.690 174.963 -0.273 17610 16630 1 18 . 1 1 85 85 LEU CA C 79 53.981 53.981 53.964 0.017 17610 16631 1 18 . 1 1 85 85 LEU CB C 79 43.058 43.058 45.726 -2.668 17610 16632 1 18 . 1 1 85 85 LEU H H 79 9.189 9.189 9.234 -0.045 17610 16633 1 18 . 1 1 86 86 CYS N N 80 125.581 125.581 126.554 -0.973 17610 16634 1 18 . 1 1 86 86 CYS HA H 80 4.689 4.689 4.835 -0.146 17610 16635 1 18 . 1 1 86 86 CYS C C 80 172.664 172.664 173.177 -0.513 17610 16636 1 18 . 1 1 86 86 CYS CA C 80 57.767 57.767 59.400 -1.633 17610 16637 1 18 . 1 1 86 86 CYS CB C 80 27.397 27.397 27.913 -0.516 17610 16638 1 18 . 1 1 86 86 CYS H H 80 8.720 8.720 9.359 -0.639 17610 16639 1 18 . 1 1 87 87 VAL N N 81 127.252 127.252 127.645 -0.393 17610 16640 1 18 . 1 1 87 87 VAL HA H 81 4.983 4.983 5.320 -0.337 17610 16641 1 18 . 1 1 87 87 VAL C C 81 175.119 175.119 173.936 1.183 17610 16642 1 18 . 1 1 87 87 VAL CA C 81 61.275 61.275 60.229 1.046 17610 16643 1 18 . 1 1 87 87 VAL CB C 81 33.407 33.407 34.947 -1.540 17610 16644 1 18 . 1 1 87 87 VAL H H 81 9.028 9.028 8.789 0.239 17610 16645 1 18 . 1 1 88 88 PHE N N 82 125.157 125.157 124.462 0.695 17610 16646 1 18 . 1 1 88 88 PHE HA H 82 4.992 4.992 5.173 -0.181 17610 16647 1 18 . 1 1 88 88 PHE C C 82 171.162 171.162 172.774 -1.612 17610 16648 1 18 . 1 1 88 88 PHE CA C 82 55.349 55.349 55.303 0.046 17610 16649 1 18 . 1 1 88 88 PHE CB C 82 40.430 40.430 42.129 -1.699 17610 16650 1 18 . 1 1 88 88 PHE H H 82 9.306 9.306 8.258 1.048 17610 16651 1 18 . 1 1 89 89 ALA N N 83 122.321 122.321 121.628 0.693 17610 16652 1 18 . 1 1 89 89 ALA HA H 83 5.082 5.082 4.855 0.227 17610 16653 1 18 . 1 1 89 89 ALA C C 83 179.267 179.267 178.486 0.781 17610 16654 1 18 . 1 1 89 89 ALA CA C 83 49.635 49.635 49.308 0.327 17610 16655 1 18 . 1 1 89 89 ALA CB C 83 21.739 21.739 20.535 1.204 17610 16656 1 18 . 1 1 89 89 ALA H H 83 8.692 8.692 8.026 0.666 17610 16657 1 18 . 1 1 90 90 ILE N N 84 114.459 114.459 120.672 -6.213 17610 16658 1 18 . 1 1 90 90 ILE HA H 84 4.054 4.054 3.704 0.350 17610 16659 1 18 . 1 1 90 90 ILE C C 84 174.164 174.164 176.742 -2.578 17610 16660 1 18 . 1 1 90 90 ILE CA C 84 63.169 63.169 64.512 -1.343 17610 16661 1 18 . 1 1 90 90 ILE CB C 84 38.174 38.174 37.614 0.560 17610 16662 1 18 . 1 1 90 90 ILE H H 84 8.461 8.461 7.578 0.883 17610 16663 1 18 . 1 1 91 91 ASN N N 85 118.240 118.240 116.232 2.008 17610 16664 1 18 . 1 1 91 91 ASN HA H 85 5.049 5.049 4.656 0.393 17610 16665 1 18 . 1 1 91 91 ASN C C 85 174.583 174.583 175.075 -0.492 17610 16666 1 18 . 1 1 91 91 ASN CA C 85 52.161 52.161 55.362 -3.201 17610 16667 1 18 . 1 1 91 91 ASN CB C 85 38.132 38.132 38.404 -0.272 17610 16668 1 18 . 1 1 91 91 ASN H H 85 7.906 7.906 8.604 -0.698 17610 16669 1 18 . 1 1 92 92 ASN N N 86 120.345 120.345 118.102 2.243 17610 16670 1 18 . 1 1 92 92 ASN HA H 86 5.080 5.080 5.002 0.078 17610 16671 1 18 . 1 1 92 92 ASN C C 86 175.090 175.090 175.607 -0.517 17610 16672 1 18 . 1 1 92 92 ASN CA C 86 52.041 52.041 52.431 -0.390 17610 16673 1 18 . 1 1 92 92 ASN CB C 86 39.203 39.203 39.291 -0.088 17610 16674 1 18 . 1 1 92 92 ASN H H 86 7.931 7.931 7.645 0.286 17610 16675 1 18 . 1 1 93 93 THR N N 87 125.665 125.665 120.687 4.978 17610 16676 1 18 . 1 1 93 93 THR HA H 87 3.772 3.772 4.136 -0.364 17610 16677 1 18 . 1 1 93 93 THR C C 87 176.012 176.012 176.263 -0.251 17610 16678 1 18 . 1 1 93 93 THR CA C 87 66.753 66.753 66.562 0.191 17610 16679 1 18 . 1 1 93 93 THR CB C 87 68.400 68.400 69.019 -0.619 17610 16680 1 18 . 1 1 93 93 THR H H 87 9.272 9.272 8.593 0.679 17610 16681 1 18 . 1 1 94 94 LYS N N 88 125.404 125.404 121.342 4.062 17610 16682 1 18 . 1 1 94 94 LYS HA H 88 4.186 4.186 4.045 0.141 17610 16683 1 18 . 1 1 94 94 LYS C C 88 178.027 178.027 178.112 -0.085 17610 16684 1 18 . 1 1 94 94 LYS CA C 88 59.359 59.359 59.791 -0.432 17610 16685 1 18 . 1 1 94 94 LYS CB C 88 31.292 31.292 32.214 -0.922 17610 16686 1 18 . 1 1 94 94 LYS H H 88 8.456 8.456 8.268 0.188 17610 16687 1 18 . 1 1 95 95 SER N N 89 115.491 115.491 115.619 -0.128 17610 16688 1 18 . 1 1 95 95 SER HA H 89 4.188 4.188 4.308 -0.120 17610 16689 1 18 . 1 1 95 95 SER C C 89 175.751 175.751 176.451 -0.700 17610 16690 1 18 . 1 1 95 95 SER CA C 89 61.751 61.751 61.495 0.256 17610 16691 1 18 . 1 1 95 95 SER CB C 89 63.530 63.530 62.977 0.553 17610 16692 1 18 . 1 1 95 95 SER H H 89 7.970 7.970 7.809 0.161 17610 16693 1 18 . 1 1 96 96 PHE N N 90 125.899 125.899 122.720 3.179 17610 16694 1 18 . 1 1 96 96 PHE HA H 90 4.037 4.037 3.796 0.241 17610 16695 1 18 . 1 1 96 96 PHE C C 90 177.267 177.267 177.139 0.128 17610 16696 1 18 . 1 1 96 96 PHE CA C 90 59.688 59.688 60.840 -1.152 17610 16697 1 18 . 1 1 96 96 PHE CB C 90 40.175 40.175 38.984 1.190 17610 16698 1 18 . 1 1 96 96 PHE H H 90 7.419 7.419 7.836 -0.417 17610 16699 1 18 . 1 1 97 97 GLU N N 91 122.834 122.834 117.628 5.206 17610 16700 1 18 . 1 1 97 97 GLU HA H 91 3.787 3.787 3.822 -0.035 17610 16701 1 18 . 1 1 97 97 GLU C C 91 179.628 179.628 178.282 1.346 17610 16702 1 18 . 1 1 97 97 GLU CA C 91 59.004 59.004 59.113 -0.109 17610 16703 1 18 . 1 1 97 97 GLU CB C 91 29.261 29.261 29.483 -0.222 17610 16704 1 18 . 1 1 97 97 GLU H H 91 8.449 8.449 7.621 0.828 17610 16705 1 18 . 1 1 98 98 ASP N N 92 118.617 118.617 121.215 -2.598 17610 16706 1 18 . 1 1 98 98 ASP HA H 92 4.553 4.553 4.759 -0.206 17610 16707 1 18 . 1 1 98 98 ASP C C 92 177.582 177.582 178.763 -1.181 17610 16708 1 18 . 1 1 98 98 ASP CA C 92 56.171 56.171 56.936 -0.765 17610 16709 1 18 . 1 1 98 98 ASP CB C 92 41.184 41.184 40.792 0.392 17610 16710 1 18 . 1 1 98 98 ASP H H 92 8.492 8.492 8.092 0.400 17610 16711 1 18 . 1 1 99 99 ILE N N 93 121.939 121.939 118.909 3.030 17610 16712 1 18 . 1 1 99 99 ILE HA H 93 3.954 3.954 4.001 -0.047 17610 16713 1 18 . 1 1 99 99 ILE C C 93 177.442 177.442 177.365 0.077 17610 16714 1 18 . 1 1 99 99 ILE CA C 93 62.370 62.370 63.380 -1.010 17610 16715 1 18 . 1 1 99 99 ILE CB C 93 34.570 34.570 36.670 -2.100 17610 16716 1 18 . 1 1 99 99 ILE H H 93 7.583 7.583 8.556 -0.973 17610 16717 1 18 . 1 1 100 100 HIS N N 94 118.387 118.387 119.161 -0.774 17610 16718 1 18 . 1 1 100 100 HIS HA H 94 4.273 4.273 4.292 -0.019 17610 16719 1 18 . 1 1 100 100 HIS C C 94 177.345 177.345 177.466 -0.121 17610 16720 1 18 . 1 1 100 100 HIS CA C 94 60.090 60.090 59.510 0.580 17610 16721 1 18 . 1 1 100 100 HIS CB C 94 30.512 30.512 29.959 0.553 17610 16722 1 18 . 1 1 100 100 HIS H H 94 7.799 7.799 7.790 0.009 17610 16723 1 18 . 1 1 101 101 GLN N N 95 117.673 117.673 118.375 -0.702 17610 16724 1 18 . 1 1 101 101 GLN HA H 95 3.941 3.941 3.982 -0.041 17610 16725 1 18 . 1 1 101 101 GLN C C 95 179.155 179.155 177.940 1.215 17610 16726 1 18 . 1 1 101 101 GLN CA C 95 58.371 58.371 58.612 -0.241 17610 16727 1 18 . 1 1 101 101 GLN CB C 95 27.807 27.807 28.061 -0.254 17610 16728 1 18 . 1 1 101 101 GLN H H 95 7.468 7.468 7.853 -0.385 17610 16729 1 18 . 1 1 102 102 TYR N N 96 120.407 120.407 121.561 -1.154 17610 16730 1 18 . 1 1 102 102 TYR HA H 96 4.064 4.064 4.165 -0.101 17610 16731 1 18 . 1 1 102 102 TYR C C 96 177.660 177.660 178.053 -0.393 17610 16732 1 18 . 1 1 102 102 TYR CA C 96 62.847 62.847 61.729 1.118 17610 16733 1 18 . 1 1 102 102 TYR CB C 96 37.795 37.795 38.137 -0.342 17610 16734 1 18 . 1 1 102 102 TYR H H 96 7.600 7.600 8.189 -0.589 17610 16735 1 18 . 1 1 103 103 ARG N N 97 119.974 119.974 119.175 0.799 17610 16736 1 18 . 1 1 103 103 ARG HA H 97 3.616 3.616 3.898 -0.282 17610 16737 1 18 . 1 1 103 103 ARG C C 97 177.618 177.618 178.229 -0.611 17610 16738 1 18 . 1 1 103 103 ARG CA C 97 59.938 59.938 58.943 0.995 17610 16739 1 18 . 1 1 103 103 ARG CB C 97 28.599 28.599 29.666 -1.067 17610 16740 1 18 . 1 1 103 103 ARG H H 97 8.395 8.395 7.842 0.553 17610 16741 1 18 . 1 1 104 104 GLU N N 98 118.351 118.351 118.713 -0.362 17610 16742 1 18 . 1 1 104 104 GLU HA H 98 3.781 3.781 3.894 -0.113 17610 16743 1 18 . 1 1 104 104 GLU C C 98 178.982 178.982 178.839 0.143 17610 16744 1 18 . 1 1 104 104 GLU CA C 98 58.900 58.900 59.632 -0.732 17610 16745 1 18 . 1 1 104 104 GLU CB C 98 29.435 29.435 28.906 0.529 17610 16746 1 18 . 1 1 104 104 GLU H H 98 7.970 7.970 7.458 0.512 17610 16747 1 18 . 1 1 105 105 GLN N N 99 121.350 121.350 118.210 3.140 17610 16748 1 18 . 1 1 105 105 GLN HA H 99 3.946 3.946 3.996 -0.050 17610 16749 1 18 . 1 1 105 105 GLN C C 99 177.701 177.701 177.982 -0.281 17610 16750 1 18 . 1 1 105 105 GLN CA C 99 59.037 59.037 59.114 -0.077 17610 16751 1 18 . 1 1 105 105 GLN CB C 99 27.938 27.938 27.942 -0.004 17610 16752 1 18 . 1 1 105 105 GLN H H 99 7.907 7.907 7.408 0.499 17610 16753 1 18 . 1 1 106 106 ILE N N 100 121.310 121.310 119.524 1.786 17610 16754 1 18 . 1 1 106 106 ILE HA H 100 3.177 3.177 3.444 -0.267 17610 16755 1 18 . 1 1 106 106 ILE C C 100 177.199 177.199 178.302 -1.103 17610 16756 1 18 . 1 1 106 106 ILE CA C 100 65.682 65.682 64.441 1.241 17610 16757 1 18 . 1 1 106 106 ILE CB C 100 37.874 37.874 37.070 0.804 17610 16758 1 18 . 1 1 106 106 ILE H H 100 7.920 7.920 7.737 0.183 17610 16759 1 18 . 1 1 107 107 LYS N N 101 118.584 118.584 119.290 -0.706 17610 16760 1 18 . 1 1 107 107 LYS HA H 101 3.951 3.951 4.124 -0.173 17610 16761 1 18 . 1 1 107 107 LYS C C 101 179.476 179.476 178.440 1.036 17610 16762 1 18 . 1 1 107 107 LYS CA C 101 59.571 59.571 59.595 -0.024 17610 16763 1 18 . 1 1 107 107 LYS CB C 101 32.227 32.227 31.837 0.391 17610 16764 1 18 . 1 1 107 107 LYS H H 101 7.782 7.782 7.380 0.402 17610 16765 1 18 . 1 1 108 108 ARG N N 102 119.152 119.152 117.869 1.283 17610 16766 1 18 . 1 1 108 108 ARG HA H 102 4.082 4.082 3.980 0.102 17610 16767 1 18 . 1 1 108 108 ARG C C 102 179.582 179.582 178.409 1.173 17610 16768 1 18 . 1 1 108 108 ARG CA C 102 58.946 58.946 59.215 -0.269 17610 16769 1 18 . 1 1 108 108 ARG CB C 102 30.097 30.097 29.988 0.110 17610 16770 1 18 . 1 1 108 108 ARG H H 102 7.777 7.777 7.305 0.472 17610 16771 1 18 . 1 1 109 109 VAL N N 103 119.544 119.544 119.338 0.206 17610 16772 1 18 . 1 1 109 109 VAL HA H 103 3.837 3.837 3.761 0.076 17610 16773 1 18 . 1 1 109 109 VAL C C 103 177.919 177.919 177.657 0.262 17610 16774 1 18 . 1 1 109 109 VAL CA C 103 65.393 65.393 65.182 0.211 17610 16775 1 18 . 1 1 109 109 VAL CB C 103 31.599 31.599 31.550 0.049 17610 16776 1 18 . 1 1 109 109 VAL H H 103 8.282 8.282 7.840 0.442 17610 16777 1 18 . 1 1 110 110 LYS N N 104 117.592 117.592 116.801 0.791 17610 16778 1 18 . 1 1 110 110 LYS HA H 104 4.269 4.269 4.241 0.028 17610 16779 1 18 . 1 1 110 110 LYS C C 104 175.878 175.878 176.846 -0.968 17610 16780 1 18 . 1 1 110 110 LYS CA C 104 54.797 54.797 56.975 -2.178 17610 16781 1 18 . 1 1 110 110 LYS CB C 104 30.687 30.687 32.652 -1.965 17610 16782 1 18 . 1 1 110 110 LYS H H 104 8.117 8.117 8.054 0.063 17610 16783 1 18 . 1 1 111 111 ASP N N 105 122.118 122.118 117.710 4.408 17610 16784 1 18 . 1 1 111 111 ASP HA H 105 4.306 4.306 4.373 -0.067 17610 16785 1 18 . 1 1 111 111 ASP C C 105 174.496 174.496 174.956 -0.460 17610 16786 1 18 . 1 1 111 111 ASP CA C 105 54.442 54.442 55.403 -0.961 17610 16787 1 18 . 1 1 111 111 ASP CB C 105 39.792 39.792 39.215 0.577 17610 16788 1 18 . 1 1 111 111 ASP H H 105 7.958 7.958 7.838 0.120 17610 16789 1 18 . 1 1 112 112 SER N N 106 110.372 110.372 113.154 -2.782 17610 16790 1 18 . 1 1 112 112 SER HA H 106 4.565 4.565 4.634 -0.069 17610 16791 1 18 . 1 1 112 112 SER C C 106 172.985 172.985 173.879 -0.894 17610 16792 1 18 . 1 1 112 112 SER CA C 106 56.779 56.779 57.601 -0.822 17610 16793 1 18 . 1 1 112 112 SER CB C 106 65.259 65.259 65.625 -0.366 17610 16794 1 18 . 1 1 112 112 SER H H 106 7.539 7.539 7.500 0.039 17610 16795 1 18 . 1 1 113 113 ASP N N 107 123.301 123.301 124.113 -0.812 17610 16796 1 18 . 1 1 113 113 ASP HA H 107 4.665 4.665 4.320 0.345 17610 16797 1 18 . 1 1 113 113 ASP C C 107 176.066 176.066 175.218 0.848 17610 16798 1 18 . 1 1 113 113 ASP CA C 107 54.267 54.267 55.777 -1.510 17610 16799 1 18 . 1 1 113 113 ASP CB C 107 41.837 41.837 40.931 0.906 17610 16800 1 18 . 1 1 113 113 ASP H H 107 8.385 8.385 8.809 -0.424 17610 16801 1 18 . 1 1 114 114 ASP N N 108 122.347 122.347 118.388 3.959 17610 16802 1 18 . 1 1 114 114 ASP HA H 108 4.882 4.882 4.730 0.152 17610 16803 1 18 . 1 1 114 114 ASP C C 108 174.386 174.386 175.080 -0.694 17610 16804 1 18 . 1 1 114 114 ASP CA C 108 53.143 53.143 53.018 0.125 17610 16805 1 18 . 1 1 114 114 ASP CB C 108 41.323 41.323 40.294 1.029 17610 16806 1 18 . 1 1 114 114 ASP H H 108 8.404 8.404 7.997 0.407 17610 16807 1 18 . 1 1 115 115 VAL N N 109 123.609 123.609 116.056 7.553 17610 16808 1 18 . 1 1 115 115 VAL HA H 109 4.337 4.337 4.498 -0.161 17610 16809 1 18 . 1 1 115 115 VAL CA C 109 58.984 58.984 57.623 1.361 17610 16810 1 18 . 1 1 115 115 VAL CB C 109 34.932 34.932 33.607 1.325 17610 16811 1 18 . 1 1 115 115 VAL H H 109 7.649 7.649 7.657 -0.008 17610 16812 1 18 . 1 1 116 116 PRO HA H 110 4.430 4.430 4.531 -0.101 17610 16813 1 18 . 1 1 116 116 PRO C C 110 175.942 175.942 175.752 0.190 17610 16814 1 18 . 1 1 116 116 PRO CA C 110 63.872 63.872 63.214 0.658 17610 16815 1 18 . 1 1 116 116 PRO CB C 110 32.120 32.120 30.572 1.548 17610 16816 1 18 . 1 1 117 117 MET N N 111 124.020 124.020 119.647 4.373 17610 16817 1 18 . 1 1 117 117 MET HA H 111 5.777 5.777 5.661 0.116 17610 16818 1 18 . 1 1 117 117 MET C C 111 173.737 173.737 174.195 -0.458 17610 16819 1 18 . 1 1 117 117 MET CA C 111 55.094 55.094 54.398 0.696 17610 16820 1 18 . 1 1 117 117 MET CB C 111 37.889 37.889 37.034 0.855 17610 16821 1 18 . 1 1 117 117 MET H H 111 8.274 8.274 7.786 0.488 17610 16822 1 18 . 1 1 118 118 VAL N N 112 118.747 118.747 115.625 3.122 17610 16823 1 18 . 1 1 118 118 VAL HA H 112 4.341 4.341 4.528 -0.187 17610 16824 1 18 . 1 1 118 118 VAL C C 112 173.171 173.171 173.460 -0.289 17610 16825 1 18 . 1 1 118 118 VAL CA C 112 60.943 60.943 60.712 0.231 17610 16826 1 18 . 1 1 118 118 VAL CB C 112 37.030 37.030 36.859 0.171 17610 16827 1 18 . 1 1 118 118 VAL H H 112 8.119 8.119 8.272 -0.153 17610 16828 1 18 . 1 1 119 119 LEU N N 113 129.931 129.931 126.524 3.407 17610 16829 1 18 . 1 1 119 119 LEU HA H 113 5.157 5.157 5.270 -0.113 17610 16830 1 18 . 1 1 119 119 LEU C C 113 173.496 173.496 175.021 -1.525 17610 16831 1 18 . 1 1 119 119 LEU CA C 113 53.828 53.828 53.352 0.476 17610 16832 1 18 . 1 1 119 119 LEU CB C 113 43.876 43.876 43.676 0.200 17610 16833 1 18 . 1 1 119 119 LEU H H 113 8.918 8.918 8.101 0.817 17610 16834 1 18 . 1 1 120 120 VAL N N 114 129.371 129.371 127.139 2.232 17610 16835 1 18 . 1 1 120 120 VAL HA H 114 5.117 5.117 5.020 0.097 17610 16836 1 18 . 1 1 120 120 VAL C C 114 173.667 173.667 175.509 -1.842 17610 16837 1 18 . 1 1 120 120 VAL CA C 114 60.124 60.124 60.157 -0.033 17610 16838 1 18 . 1 1 120 120 VAL CB C 114 35.225 35.225 34.076 1.149 17610 16839 1 18 . 1 1 120 120 VAL H H 114 9.173 9.173 9.155 0.018 17610 16840 1 18 . 1 1 121 121 GLY N N 115 115.789 115.789 112.644 3.145 17610 16841 1 18 . 1 1 121 121 GLY C C 115 171.603 171.603 173.635 -2.032 17610 16842 1 18 . 1 1 121 121 GLY CA C 115 45.256 45.256 43.508 1.748 17610 16843 1 18 . 1 1 121 121 GLY H H 115 8.046 8.046 8.907 -0.861 17610 16844 1 18 . 1 1 122 122 ASN N N 116 122.349 122.349 123.412 -1.063 17610 16845 1 18 . 1 1 122 122 ASN HA H 116 5.620 5.620 4.638 0.982 17610 16846 1 18 . 1 1 122 122 ASN C C 116 174.732 174.732 175.257 -0.525 17610 16847 1 18 . 1 1 122 122 ASN CA C 116 51.492 51.492 52.822 -1.330 17610 16848 1 18 . 1 1 122 122 ASN CB C 116 41.323 41.323 39.995 1.328 17610 16849 1 18 . 1 1 122 122 ASN H H 116 8.756 8.756 7.933 0.823 17610 16850 1 18 . 1 1 123 123 LYS N N 117 113.297 113.297 117.300 -4.003 17610 16851 1 18 . 1 1 123 123 LYS HA H 117 4.280 4.280 3.925 0.355 17610 16852 1 18 . 1 1 123 123 LYS C C 117 177.324 177.324 175.601 1.723 17610 16853 1 18 . 1 1 123 123 LYS CA C 117 57.273 57.273 57.511 -0.238 17610 16854 1 18 . 1 1 123 123 LYS CB C 117 29.775 29.775 29.962 -0.187 17610 16855 1 18 . 1 1 123 123 LYS H H 117 7.342 7.342 8.755 -1.413 17610 16856 1 18 . 1 1 124 124 CYS N N 118 115.340 115.340 117.398 -2.058 17610 16857 1 18 . 1 1 124 124 CYS HA H 118 4.292 4.292 4.367 -0.075 17610 16858 1 18 . 1 1 124 124 CYS C C 118 173.325 173.325 175.188 -1.863 17610 16859 1 18 . 1 1 124 124 CYS CA C 118 60.698 60.698 58.546 2.152 17610 16860 1 18 . 1 1 124 124 CYS CB C 118 26.387 26.387 28.544 -2.157 17610 16861 1 18 . 1 1 124 124 CYS H H 118 8.763 8.763 8.097 0.666 17610 16862 1 18 . 1 1 125 125 ASP N N 119 118.603 118.603 120.855 -2.252 17610 16863 1 18 . 1 1 125 125 ASP HA H 119 4.476 4.476 4.476 -0.000 17610 16864 1 18 . 1 1 125 125 ASP C C 119 175.464 175.464 176.817 -1.353 17610 16865 1 18 . 1 1 125 125 ASP CA C 119 53.951 53.951 55.591 -1.640 17610 16866 1 18 . 1 1 125 125 ASP CB C 119 41.323 41.323 41.216 0.107 17610 16867 1 18 . 1 1 125 125 ASP H H 119 8.613 8.613 7.713 0.900 17610 16868 1 18 . 1 1 126 126 LEU N N 120 122.098 122.098 119.515 2.583 17610 16869 1 18 . 1 1 126 126 LEU HA H 120 4.241 4.241 4.127 0.114 17610 16870 1 18 . 1 1 126 126 LEU C C 120 176.420 176.420 177.061 -0.641 17610 16871 1 18 . 1 1 126 126 LEU CA C 120 54.723 54.723 55.283 -0.561 17610 16872 1 18 . 1 1 126 126 LEU CB C 120 41.837 41.837 42.828 -0.991 17610 16873 1 18 . 1 1 126 126 LEU H H 120 7.802 7.802 7.915 -0.113 17610 16874 1 18 . 1 1 127 127 ALA N N 121 123.959 123.959 121.648 2.311 17610 16875 1 18 . 1 1 127 127 ALA HA H 121 4.214 4.214 4.480 -0.266 17610 16876 1 18 . 1 1 127 127 ALA C C 121 178.717 178.717 176.375 2.342 17610 16877 1 18 . 1 1 127 127 ALA CA C 121 53.179 53.179 51.997 1.182 17610 16878 1 18 . 1 1 127 127 ALA CB C 121 18.871 18.871 19.582 -0.711 17610 16879 1 18 . 1 1 127 127 ALA H H 121 8.160 8.160 8.431 -0.271 17610 16880 1 18 . 1 1 128 128 ALA N N 122 123.078 123.078 122.138 0.940 17610 16881 1 18 . 1 1 128 128 ALA HA H 122 4.524 4.524 4.539 -0.015 17610 16882 1 18 . 1 1 128 128 ALA C C 122 175.272 175.272 175.919 -0.647 17610 16883 1 18 . 1 1 128 128 ALA CA C 122 51.259 51.259 51.588 -0.329 17610 16884 1 18 . 1 1 128 128 ALA CB C 122 17.623 17.623 19.258 -1.635 17610 16885 1 18 . 1 1 128 128 ALA H H 122 7.698 7.698 7.861 -0.163 17610 16886 1 18 . 1 1 129 129 ARG N N 123 121.454 121.454 120.093 1.361 17610 16887 1 18 . 1 1 129 129 ARG HA H 123 4.093 4.093 4.371 -0.278 17610 16888 1 18 . 1 1 129 129 ARG C C 123 176.271 176.271 175.649 0.622 17610 16889 1 18 . 1 1 129 129 ARG CA C 123 55.596 55.596 55.446 0.150 17610 16890 1 18 . 1 1 129 129 ARG CB C 123 32.696 32.696 30.828 1.868 17610 16891 1 18 . 1 1 129 129 ARG H H 123 7.992 7.992 7.908 0.084 17610 16892 1 18 . 1 1 130 130 THR N N 124 115.617 115.617 114.394 1.223 17610 16893 1 18 . 1 1 130 130 THR HA H 124 4.564 4.564 4.403 0.161 17610 16894 1 18 . 1 1 130 130 THR C C 124 174.119 174.119 175.092 -0.973 17610 16895 1 18 . 1 1 130 130 THR CA C 124 61.746 61.746 62.715 -0.969 17610 16896 1 18 . 1 1 130 130 THR CB C 124 69.094 69.094 70.116 -1.022 17610 16897 1 18 . 1 1 130 130 THR H H 124 9.145 9.145 8.653 0.492 17610 16898 1 18 . 1 1 131 131 VAL N N 125 125.688 125.688 125.195 0.493 17610 16899 1 18 . 1 1 131 131 VAL HA H 125 4.015 4.015 4.278 -0.263 17610 16900 1 18 . 1 1 131 131 VAL C C 125 175.658 175.658 174.876 0.782 17610 16901 1 18 . 1 1 131 131 VAL CA C 125 61.373 61.373 61.309 0.063 17610 16902 1 18 . 1 1 131 131 VAL CB C 125 33.147 33.147 31.212 1.935 17610 16903 1 18 . 1 1 131 131 VAL H H 125 7.618 7.618 7.931 -0.313 17610 16904 1 18 . 1 1 132 132 GLU N N 126 128.319 128.319 127.051 1.268 17610 16905 1 18 . 1 1 132 132 GLU HA H 126 4.228 4.228 4.054 0.174 17610 16906 1 18 . 1 1 132 132 GLU C C 126 177.986 177.986 177.073 0.913 17610 16907 1 18 . 1 1 132 132 GLU CA C 126 56.323 56.323 56.778 -0.455 17610 16908 1 18 . 1 1 132 132 GLU CB C 126 30.158 30.158 30.416 -0.258 17610 16909 1 18 . 1 1 132 132 GLU H H 126 8.727 8.727 7.963 0.764 17610 16910 1 18 . 1 1 133 133 SER N N 127 122.970 122.970 118.188 4.782 17610 16911 1 18 . 1 1 133 133 SER HA H 127 4.074 4.074 4.070 0.004 17610 16912 1 18 . 1 1 133 133 SER C C 127 176.633 176.633 176.261 0.372 17610 16913 1 18 . 1 1 133 133 SER CA C 127 62.598 62.598 61.434 1.164 17610 16914 1 18 . 1 1 133 133 SER CB C 127 62.511 62.511 63.164 -0.653 17610 16915 1 18 . 1 1 133 133 SER H H 127 9.421 9.421 8.882 0.539 17610 16916 1 18 . 1 1 134 134 ARG N N 128 119.141 119.141 119.893 -0.752 17610 16917 1 18 . 1 1 134 134 ARG HA H 128 4.028 4.028 3.953 0.075 17610 16918 1 18 . 1 1 134 134 ARG C C 128 177.739 177.739 178.201 -0.462 17610 16919 1 18 . 1 1 134 134 ARG CA C 128 58.785 58.785 58.770 0.015 17610 16920 1 18 . 1 1 134 134 ARG CB C 128 29.752 29.752 28.851 0.902 17610 16921 1 18 . 1 1 134 134 ARG H H 128 8.675 8.675 8.587 0.088 17610 16922 1 18 . 1 1 135 135 GLN N N 129 118.050 118.050 118.670 -0.620 17610 16923 1 18 . 1 1 135 135 GLN HA H 129 4.091 4.091 4.005 0.086 17610 16924 1 18 . 1 1 135 135 GLN C C 129 179.009 179.009 177.292 1.717 17610 16925 1 18 . 1 1 135 135 GLN CA C 129 58.389 58.389 58.355 0.034 17610 16926 1 18 . 1 1 135 135 GLN CB C 129 28.916 28.916 28.296 0.620 17610 16927 1 18 . 1 1 135 135 GLN H H 129 6.796 6.796 7.656 -0.860 17610 16928 1 18 . 1 1 136 136 ALA N N 130 124.769 124.769 121.296 3.473 17610 16929 1 18 . 1 1 136 136 ALA HA H 130 3.933 3.933 3.771 0.162 17610 16930 1 18 . 1 1 136 136 ALA C C 130 178.155 178.155 179.484 -1.329 17610 16931 1 18 . 1 1 136 136 ALA CA C 130 54.760 54.760 54.174 0.586 17610 16932 1 18 . 1 1 136 136 ALA CB C 130 18.546 18.546 18.001 0.545 17610 16933 1 18 . 1 1 136 136 ALA H H 130 7.017 7.017 7.357 -0.340 17610 16934 1 18 . 1 1 137 137 GLN N N 131 119.215 119.215 117.878 1.337 17610 16935 1 18 . 1 1 137 137 GLN HA H 131 3.720 3.720 3.786 -0.066 17610 16936 1 18 . 1 1 137 137 GLN C C 131 179.387 179.387 177.671 1.716 17610 16937 1 18 . 1 1 137 137 GLN CA C 131 58.815 58.815 59.392 -0.577 17610 16938 1 18 . 1 1 137 137 GLN CB C 131 28.503 28.503 28.545 -0.042 17610 16939 1 18 . 1 1 137 137 GLN H H 131 8.602 8.602 7.803 0.799 17610 16940 1 18 . 1 1 138 138 ASP N N 132 121.298 121.298 120.799 0.499 17610 16941 1 18 . 1 1 138 138 ASP HA H 132 4.371 4.371 4.351 0.020 17610 16942 1 18 . 1 1 138 138 ASP C C 132 178.855 178.855 178.414 0.441 17610 16943 1 18 . 1 1 138 138 ASP CA C 132 57.425 57.425 57.613 -0.188 17610 16944 1 18 . 1 1 138 138 ASP CB C 132 40.860 40.860 40.908 -0.048 17610 16945 1 18 . 1 1 138 138 ASP H H 132 8.203 8.203 7.790 0.413 17610 16946 1 18 . 1 1 139 139 LEU N N 133 124.786 124.786 120.876 3.910 17610 16947 1 18 . 1 1 139 139 LEU HA H 133 3.888 3.888 4.038 -0.150 17610 16948 1 18 . 1 1 139 139 LEU C C 133 178.953 178.953 177.986 0.967 17610 16949 1 18 . 1 1 139 139 LEU CA C 133 57.827 57.827 57.711 0.117 17610 16950 1 18 . 1 1 139 139 LEU CB C 133 41.837 41.837 41.715 0.122 17610 16951 1 18 . 1 1 139 139 LEU H H 133 7.485 7.485 7.434 0.051 17610 16952 1 18 . 1 1 140 140 ALA N N 134 123.038 123.038 121.574 1.464 17610 16953 1 18 . 1 1 140 140 ALA HA H 134 3.783 3.783 3.830 -0.047 17610 16954 1 18 . 1 1 140 140 ALA C C 134 179.902 179.902 179.292 0.610 17610 16955 1 18 . 1 1 140 140 ALA CA C 134 55.832 55.832 55.345 0.487 17610 16956 1 18 . 1 1 140 140 ALA CB C 134 18.120 18.120 18.346 -0.226 17610 16957 1 18 . 1 1 140 140 ALA H H 134 8.426 8.426 7.548 0.878 17610 16958 1 18 . 1 1 141 141 ARG N N 135 119.537 119.537 118.602 0.935 17610 16959 1 18 . 1 1 141 141 ARG HA H 135 4.194 4.194 3.976 0.218 17610 16960 1 18 . 1 1 141 141 ARG C C 135 180.037 180.037 178.676 1.361 17610 16961 1 18 . 1 1 141 141 ARG CA C 135 59.331 59.331 59.496 -0.165 17610 16962 1 18 . 1 1 141 141 ARG CB C 135 29.864 29.864 30.102 -0.237 17610 16963 1 18 . 1 1 141 141 ARG H H 135 8.459 8.459 8.574 -0.115 17610 16964 1 18 . 1 1 142 142 SER N N 136 118.958 118.958 113.408 5.550 17610 16965 1 18 . 1 1 142 142 SER HA H 136 4.277 4.277 4.309 -0.032 17610 16966 1 18 . 1 1 142 142 SER C C 136 176.127 176.127 176.593 -0.466 17610 16967 1 18 . 1 1 142 142 SER CA C 136 61.509 61.509 60.975 0.534 17610 16968 1 18 . 1 1 142 142 SER CB C 136 62.529 62.529 63.469 -0.940 17610 16969 1 18 . 1 1 142 142 SER H H 136 7.944 7.944 7.639 0.305 17610 16970 1 18 . 1 1 143 143 TYR N N 137 121.309 121.309 119.255 2.054 17610 16971 1 18 . 1 1 143 143 TYR HA H 137 4.907 4.907 4.341 0.566 17610 16972 1 18 . 1 1 143 143 TYR C C 137 176.279 176.279 177.187 -0.908 17610 16973 1 18 . 1 1 143 143 TYR CA C 137 54.737 54.737 57.841 -3.104 17610 16974 1 18 . 1 1 143 143 TYR CB C 137 38.830 38.830 39.034 -0.204 17610 16975 1 18 . 1 1 143 143 TYR H H 137 7.623 7.623 8.008 -0.385 17610 16976 1 18 . 1 1 144 144 GLY N N 138 112.193 112.193 107.395 4.798 17610 16977 1 18 . 1 1 144 144 GLY C C 138 175.077 175.077 174.376 0.701 17610 16978 1 18 . 1 1 144 144 GLY CA C 138 46.439 46.439 45.561 0.878 17610 16979 1 18 . 1 1 144 144 GLY H H 138 8.328 8.328 7.934 0.394 17610 16980 1 18 . 1 1 145 145 ILE N N 139 114.227 114.227 115.976 -1.749 17610 16981 1 18 . 1 1 145 145 ILE HA H 139 5.241 5.241 4.809 0.432 17610 16982 1 18 . 1 1 145 145 ILE CA C 139 58.420 58.420 57.927 0.493 17610 16983 1 18 . 1 1 145 145 ILE CB C 139 38.543 38.543 39.333 -0.790 17610 16984 1 18 . 1 1 145 145 ILE H H 139 8.059 8.059 7.589 0.470 17610 16985 1 18 . 1 1 146 146 PRO HA H 140 4.627 4.627 4.495 0.132 17610 16986 1 18 . 1 1 146 146 PRO C C 140 174.570 174.570 175.263 -0.693 17610 16987 1 18 . 1 1 146 146 PRO CA C 140 62.362 62.362 62.455 -0.093 17610 16988 1 18 . 1 1 146 146 PRO CB C 140 33.057 33.057 32.606 0.451 17610 16989 1 18 . 1 1 147 147 TYR N N 141 121.135 121.135 119.814 1.321 17610 16990 1 18 . 1 1 147 147 TYR HA H 141 5.997 5.997 5.532 0.465 17610 16991 1 18 . 1 1 147 147 TYR C C 141 174.492 174.492 174.630 -0.138 17610 16992 1 18 . 1 1 147 147 TYR CA C 141 54.912 54.912 56.557 -1.645 17610 16993 1 18 . 1 1 147 147 TYR CB C 141 40.972 40.972 40.845 0.127 17610 16994 1 18 . 1 1 147 147 TYR H H 141 8.252 8.252 8.312 -0.060 17610 16995 1 18 . 1 1 148 148 ILE N N 142 131.362 131.362 128.466 2.896 17610 16996 1 18 . 1 1 148 148 ILE HA H 142 3.948 3.948 4.226 -0.278 17610 16997 1 18 . 1 1 148 148 ILE C C 142 172.977 172.977 174.230 -1.253 17610 16998 1 18 . 1 1 148 148 ILE CA C 142 59.383 59.383 59.916 -0.533 17610 16999 1 18 . 1 1 148 148 ILE CB C 142 42.260 42.260 41.419 0.841 17610 17000 1 18 . 1 1 148 148 ILE H H 142 8.495 8.495 8.489 0.006 17610 17001 1 18 . 1 1 149 149 GLU N N 143 125.874 125.874 125.706 0.168 17610 17002 1 18 . 1 1 149 149 GLU HA H 143 4.788 4.788 4.343 0.445 17610 17003 1 18 . 1 1 149 149 GLU C C 143 176.128 176.128 175.498 0.630 17610 17004 1 18 . 1 1 149 149 GLU CA C 143 55.647 55.647 55.506 0.141 17610 17005 1 18 . 1 1 149 149 GLU CB C 143 29.727 29.727 31.157 -1.430 17610 17006 1 18 . 1 1 149 149 GLU H H 143 7.827 7.827 8.593 -0.766 17610 17007 1 18 . 1 1 150 150 THR N N 144 113.629 113.629 114.363 -0.734 17610 17008 1 18 . 1 1 150 150 THR HA H 144 5.081 5.081 5.183 -0.102 17610 17009 1 18 . 1 1 150 150 THR C C 144 176.136 176.136 173.098 3.038 17610 17010 1 18 . 1 1 150 150 THR CA C 144 59.464 59.464 59.989 -0.525 17610 17011 1 18 . 1 1 150 150 THR CB C 144 73.639 73.639 71.834 1.805 17610 17012 1 18 . 1 1 150 150 THR H H 144 8.800 8.800 8.054 0.746 17610 17013 1 18 . 1 1 151 151 SER N N 145 113.706 113.706 115.111 -1.405 17610 17014 1 18 . 1 1 151 151 SER HA H 145 4.883 4.883 5.051 -0.168 17610 17015 1 18 . 1 1 151 151 SER C C 145 175.707 175.707 173.096 2.611 17610 17016 1 18 . 1 1 151 151 SER CA C 145 57.438 57.438 56.732 0.706 17610 17017 1 18 . 1 1 151 151 SER CB C 145 64.470 64.470 65.971 -1.501 17610 17018 1 18 . 1 1 151 151 SER H H 145 8.807 8.807 8.115 0.692 17610 17019 1 18 . 1 1 152 152 ALA N N 146 133.500 133.500 128.701 4.799 17610 17020 1 18 . 1 1 152 152 ALA HA H 146 3.890 3.890 4.379 -0.489 17610 17021 1 18 . 1 1 152 152 ALA C C 146 175.632 175.632 176.583 -0.951 17610 17022 1 18 . 1 1 152 152 ALA CA C 146 54.416 54.416 53.638 0.778 17610 17023 1 18 . 1 1 152 152 ALA CB C 146 18.605 18.605 19.253 -0.648 17610 17024 1 18 . 1 1 152 152 ALA H H 146 9.134 9.134 8.320 0.814 17610 17025 1 18 . 1 1 153 153 LYS N N 147 117.223 117.223 117.734 -0.511 17610 17026 1 18 . 1 1 153 153 LYS HA H 147 2.616 2.616 3.520 -0.904 17610 17027 1 18 . 1 1 153 153 LYS C C 147 177.045 177.045 177.106 -0.061 17610 17028 1 18 . 1 1 153 153 LYS CA C 147 58.119 58.119 58.136 -0.017 17610 17029 1 18 . 1 1 153 153 LYS CB C 147 33.956 33.956 32.516 1.440 17610 17030 1 18 . 1 1 153 153 LYS H H 147 7.042 7.042 7.805 -0.763 17610 17031 1 18 . 1 1 154 154 THR N N 148 107.404 107.404 108.040 -0.636 17610 17032 1 18 . 1 1 154 154 THR HA H 148 4.157 4.157 4.313 -0.156 17610 17033 1 18 . 1 1 154 154 THR C C 148 175.979 175.979 174.127 1.852 17610 17034 1 18 . 1 1 154 154 THR CA C 148 61.489 61.489 60.880 0.609 17610 17035 1 18 . 1 1 154 154 THR CB C 148 69.911 69.911 68.724 1.187 17610 17036 1 18 . 1 1 154 154 THR H H 148 7.721 7.721 7.690 0.031 17610 17037 1 18 . 1 1 155 155 ARG N N 149 119.268 119.268 116.709 2.559 17610 17038 1 18 . 1 1 155 155 ARG HA H 149 3.476 3.476 3.918 -0.442 17610 17039 1 18 . 1 1 155 155 ARG C C 149 175.481 175.481 174.648 0.833 17610 17040 1 18 . 1 1 155 155 ARG CA C 149 59.653 59.653 56.863 2.790 17610 17041 1 18 . 1 1 155 155 ARG CB C 149 30.445 30.445 26.980 3.465 17610 17042 1 18 . 1 1 155 155 ARG H H 149 7.814 7.814 7.475 0.339 17610 17043 1 18 . 1 1 156 156 GLN N N 150 125.391 125.391 121.255 4.136 17610 17044 1 18 . 1 1 156 156 GLN HA H 150 4.065 4.065 4.373 -0.308 17610 17045 1 18 . 1 1 156 156 GLN C C 150 177.007 177.007 176.438 0.569 17610 17046 1 18 . 1 1 156 156 GLN CA C 150 57.433 57.433 55.397 2.036 17610 17047 1 18 . 1 1 156 156 GLN CB C 150 28.472 28.472 29.930 -1.458 17610 17048 1 18 . 1 1 156 156 GLN H H 150 7.833 7.833 7.414 0.419 17610 17049 1 18 . 1 1 157 157 GLY N N 151 116.380 116.380 114.247 2.133 17610 17050 1 18 . 1 1 157 157 GLY C C 151 173.581 173.581 174.883 -1.302 17610 17051 1 18 . 1 1 157 157 GLY CA C 151 46.945 46.945 46.515 0.430 17610 17052 1 18 . 1 1 157 157 GLY H H 151 8.936 8.936 9.017 -0.081 17610 17053 1 18 . 1 1 158 158 VAL N N 152 121.822 121.822 118.991 2.831 17610 17054 1 18 . 1 1 158 158 VAL HA H 152 3.221 3.221 3.570 -0.349 17610 17055 1 18 . 1 1 158 158 VAL C C 152 177.006 177.006 177.729 -0.723 17610 17056 1 18 . 1 1 158 158 VAL CA C 152 68.314 68.314 65.905 2.409 17610 17057 1 18 . 1 1 158 158 VAL CB C 152 31.473 31.473 31.357 0.116 17610 17058 1 18 . 1 1 158 158 VAL H H 152 7.099 7.099 8.132 -1.033 17610 17059 1 18 . 1 1 159 159 GLU N N 153 118.087 118.087 118.119 -0.032 17610 17060 1 18 . 1 1 159 159 GLU HA H 153 3.305 3.305 3.889 -0.584 17610 17061 1 18 . 1 1 159 159 GLU C C 153 177.163 177.163 178.580 -1.417 17610 17062 1 18 . 1 1 159 159 GLU CA C 153 60.407 60.407 59.988 0.419 17610 17063 1 18 . 1 1 159 159 GLU CB C 153 28.787 28.787 28.771 0.016 17610 17064 1 18 . 1 1 159 159 GLU H H 153 8.271 8.271 8.655 -0.384 17610 17065 1 18 . 1 1 160 160 ASP N N 154 117.624 117.624 118.692 -1.068 17610 17066 1 18 . 1 1 160 160 ASP HA H 154 4.205 4.205 4.637 -0.432 17610 17067 1 18 . 1 1 160 160 ASP C C 154 179.366 179.366 177.726 1.640 17610 17068 1 18 . 1 1 160 160 ASP CA C 154 57.288 57.288 57.160 0.128 17610 17069 1 18 . 1 1 160 160 ASP CB C 154 40.040 40.040 40.559 -0.519 17610 17070 1 18 . 1 1 160 160 ASP H H 154 8.145 8.145 8.619 -0.474 17610 17071 1 18 . 1 1 161 161 ALA N N 155 125.270 125.270 122.335 2.935 17610 17072 1 18 . 1 1 161 161 ALA HA H 155 3.749 3.749 4.037 -0.288 17610 17073 1 18 . 1 1 161 161 ALA C C 155 177.684 177.684 179.295 -1.611 17610 17074 1 18 . 1 1 161 161 ALA CA C 155 56.295 56.295 54.608 1.687 17610 17075 1 18 . 1 1 161 161 ALA CB C 155 17.397 17.397 18.428 -1.031 17610 17076 1 18 . 1 1 161 161 ALA H H 155 8.603 8.603 7.345 1.258 17610 17077 1 18 . 1 1 162 162 PHE N N 156 113.772 113.772 117.875 -4.103 17610 17078 1 18 . 1 1 162 162 PHE HA H 156 3.912 3.912 4.097 -0.185 17610 17079 1 18 . 1 1 162 162 PHE C C 156 177.975 177.975 177.800 0.175 17610 17080 1 18 . 1 1 162 162 PHE CA C 156 62.851 62.851 62.140 0.711 17610 17081 1 18 . 1 1 162 162 PHE CB C 156 39.472 39.472 38.545 0.927 17610 17082 1 18 . 1 1 162 162 PHE H H 156 7.236 7.236 7.499 -0.263 17610 17083 1 18 . 1 1 163 163 TYR N N 157 120.499 120.499 116.752 3.747 17610 17084 1 18 . 1 1 163 163 TYR HA H 157 4.355 4.355 4.179 0.176 17610 17085 1 18 . 1 1 163 163 TYR C C 157 179.097 179.097 178.128 0.969 17610 17086 1 18 . 1 1 163 163 TYR CA C 157 58.309 58.309 60.758 -2.449 17610 17087 1 18 . 1 1 163 163 TYR CB C 157 35.012 35.012 37.078 -2.066 17610 17088 1 18 . 1 1 163 163 TYR H H 157 9.573 9.573 8.363 1.210 17610 17089 1 18 . 1 1 164 164 THR N N 158 118.206 118.206 115.212 2.994 17610 17090 1 18 . 1 1 164 164 THR HA H 158 3.903 3.903 4.079 -0.176 17610 17091 1 18 . 1 1 164 164 THR C C 158 175.656 175.656 176.177 -0.521 17610 17092 1 18 . 1 1 164 164 THR CA C 158 67.484 67.484 65.966 1.518 17610 17093 1 18 . 1 1 164 164 THR CB C 158 67.819 67.819 68.422 -0.604 17610 17094 1 18 . 1 1 164 164 THR H H 158 8.538 8.538 7.529 1.009 17610 17095 1 18 . 1 1 165 165 LEU N N 159 122.864 122.864 123.563 -0.699 17610 17096 1 18 . 1 1 165 165 LEU HA H 159 3.871 3.871 4.213 -0.342 17610 17097 1 18 . 1 1 165 165 LEU C C 159 177.513 177.513 177.753 -0.240 17610 17098 1 18 . 1 1 165 165 LEU CA C 159 57.991 57.991 57.951 0.040 17610 17099 1 18 . 1 1 165 165 LEU CB C 159 40.181 40.181 41.515 -1.334 17610 17100 1 18 . 1 1 165 165 LEU H H 159 7.232 7.232 7.836 -0.604 17610 17101 1 18 . 1 1 166 166 VAL N N 160 120.322 120.322 118.735 1.587 17610 17102 1 18 . 1 1 166 166 VAL HA H 160 3.045 3.045 3.718 -0.673 17610 17103 1 18 . 1 1 166 166 VAL C C 160 177.474 177.474 177.493 -0.019 17610 17104 1 18 . 1 1 166 166 VAL CA C 160 67.389 67.389 66.222 1.167 17610 17105 1 18 . 1 1 166 166 VAL CB C 160 30.944 30.944 31.508 -0.564 17610 17106 1 18 . 1 1 166 166 VAL H H 160 7.517 7.517 7.694 -0.177 17610 17107 1 18 . 1 1 167 167 ARG N N 161 120.151 120.151 119.079 1.072 17610 17108 1 18 . 1 1 167 167 ARG HA H 161 3.772 3.772 4.038 -0.266 17610 17109 1 18 . 1 1 167 167 ARG C C 161 179.030 179.030 178.385 0.645 17610 17110 1 18 . 1 1 167 167 ARG CA C 161 60.935 60.935 59.363 1.572 17610 17111 1 18 . 1 1 167 167 ARG CB C 161 29.586 29.586 30.196 -0.610 17610 17112 1 18 . 1 1 167 167 ARG H H 161 8.044 8.044 8.090 -0.046 17610 17113 1 18 . 1 1 168 168 GLU N N 162 119.201 119.201 118.849 0.352 17610 17114 1 18 . 1 1 168 168 GLU HA H 162 4.050 4.050 4.194 -0.144 17610 17115 1 18 . 1 1 168 168 GLU C C 162 179.805 179.805 179.137 0.668 17610 17116 1 18 . 1 1 168 168 GLU CA C 162 58.867 58.867 59.153 -0.286 17610 17117 1 18 . 1 1 168 168 GLU CB C 162 30.330 30.330 29.718 0.612 17610 17118 1 18 . 1 1 168 168 GLU H H 162 8.171 8.171 7.786 0.385 17610 17119 1 18 . 1 1 169 169 ILE N N 163 123.244 123.244 119.733 3.511 17610 17120 1 18 . 1 1 169 169 ILE HA H 163 3.583 3.583 3.925 -0.342 17610 17121 1 18 . 1 1 169 169 ILE C C 163 178.906 178.906 178.074 0.832 17610 17122 1 18 . 1 1 169 169 ILE CA C 163 66.023 66.023 64.864 1.159 17610 17123 1 18 . 1 1 169 169 ILE CB C 163 38.204 38.204 37.879 0.325 17610 17124 1 18 . 1 1 169 169 ILE H H 163 8.174 8.174 8.178 -0.004 17610 17125 1 18 . 1 1 170 170 ARG N N 164 119.842 119.842 119.938 -0.096 17610 17126 1 18 . 1 1 170 170 ARG HA H 164 4.140 4.140 4.136 0.004 17610 17127 1 18 . 1 1 170 170 ARG C C 164 177.532 177.532 178.396 -0.864 17610 17128 1 18 . 1 1 170 170 ARG CA C 164 58.944 58.944 59.113 -0.169 17610 17129 1 18 . 1 1 170 170 ARG CB C 164 31.206 31.206 29.954 1.252 17610 17130 1 18 . 1 1 170 170 ARG H H 164 8.405 8.405 7.837 0.568 17610 17131 1 18 . 1 1 171 171 GLN N N 165 116.762 116.762 116.219 0.543 17610 17132 1 18 . 1 1 171 171 GLN HA H 165 4.343 4.343 4.198 0.145 17610 17133 1 18 . 1 1 171 171 GLN C C 165 175.218 175.218 176.857 -1.639 17610 17134 1 18 . 1 1 171 171 GLN CA C 165 56.100 56.100 57.364 -1.264 17610 17135 1 18 . 1 1 171 171 GLN CB C 165 29.236 29.236 28.985 0.251 17610 17136 1 18 . 1 1 171 171 GLN H H 165 7.646 7.646 8.132 -0.486 17610 17137 1 19 . 1 1 8 8 THR N N 2 124.188 124.188 117.102 7.086 17610 17138 1 19 . 1 1 8 8 THR HA H 2 3.983 3.983 4.471 -0.488 17610 17139 1 19 . 1 1 8 8 THR C C 2 171.971 171.971 173.088 -1.117 17610 17140 1 19 . 1 1 8 8 THR CA C 2 63.551 63.551 61.692 1.859 17610 17141 1 19 . 1 1 8 8 THR CB C 2 69.619 69.619 70.563 -0.944 17610 17142 1 19 . 1 1 8 8 THR H H 2 8.667 8.667 8.378 0.289 17610 17143 1 19 . 1 1 9 9 GLU N N 3 127.895 127.895 124.462 3.433 17610 17144 1 19 . 1 1 9 9 GLU HA H 3 5.280 5.280 4.414 0.866 17610 17145 1 19 . 1 1 9 9 GLU C C 3 175.089 175.089 175.171 -0.082 17610 17146 1 19 . 1 1 9 9 GLU CA C 3 53.636 53.636 55.848 -2.212 17610 17147 1 19 . 1 1 9 9 GLU CB C 3 32.029 32.029 31.294 0.735 17610 17148 1 19 . 1 1 9 9 GLU H H 3 8.316 8.316 8.507 -0.191 17610 17149 1 19 . 1 1 10 10 TYR N N 4 123.375 123.375 125.167 -1.792 17610 17150 1 19 . 1 1 10 10 TYR HA H 4 5.131 5.131 4.704 0.427 17610 17151 1 19 . 1 1 10 10 TYR C C 4 174.621 174.621 174.925 -0.304 17610 17152 1 19 . 1 1 10 10 TYR CA C 4 56.649 56.649 56.464 0.185 17610 17153 1 19 . 1 1 10 10 TYR CB C 4 41.323 41.323 39.815 1.508 17610 17154 1 19 . 1 1 10 10 TYR H H 4 8.739 8.739 8.315 0.424 17610 17155 1 19 . 1 1 11 11 LYS N N 5 125.147 125.147 126.635 -1.488 17610 17156 1 19 . 1 1 11 11 LYS HA H 5 5.168 5.168 4.516 0.652 17610 17157 1 19 . 1 1 11 11 LYS C C 5 175.291 175.291 175.234 0.057 17610 17158 1 19 . 1 1 11 11 LYS CA C 5 55.145 55.145 56.207 -1.062 17610 17159 1 19 . 1 1 11 11 LYS CB C 5 32.225 32.225 31.953 0.272 17610 17160 1 19 . 1 1 11 11 LYS H H 5 9.142 9.142 8.898 0.244 17610 17161 1 19 . 1 1 12 12 LEU N N 6 127.306 127.306 127.565 -0.259 17610 17162 1 19 . 1 1 12 12 LEU HA H 6 4.970 4.970 4.620 0.350 17610 17163 1 19 . 1 1 12 12 LEU C C 6 175.298 175.298 175.750 -0.452 17610 17164 1 19 . 1 1 12 12 LEU CA C 6 52.743 52.743 54.093 -1.350 17610 17165 1 19 . 1 1 12 12 LEU CB C 6 43.063 43.063 42.446 0.617 17610 17166 1 19 . 1 1 12 12 LEU H H 6 9.150 9.150 8.902 0.248 17610 17167 1 19 . 1 1 13 13 VAL N N 7 123.170 123.170 126.322 -3.152 17610 17168 1 19 . 1 1 13 13 VAL HA H 7 4.827 4.827 4.514 0.313 17610 17169 1 19 . 1 1 13 13 VAL C C 7 174.230 174.230 175.589 -1.359 17610 17170 1 19 . 1 1 13 13 VAL CB C 7 34.048 34.048 31.801 2.247 17610 17171 1 19 . 1 1 13 13 VAL H H 7 8.113 8.113 8.535 -0.422 17610 17172 1 19 . 1 1 14 14 VAL N N 8 129.854 129.854 128.230 1.624 17610 17173 1 19 . 1 1 14 14 VAL HA H 8 4.669 4.669 4.468 0.201 17610 17174 1 19 . 1 1 14 14 VAL C C 8 175.377 175.377 175.338 0.039 17610 17175 1 19 . 1 1 14 14 VAL CA C 8 61.935 61.935 62.032 -0.097 17610 17176 1 19 . 1 1 14 14 VAL CB C 8 32.496 32.496 32.265 0.231 17610 17177 1 19 . 1 1 14 14 VAL H H 8 8.707 8.707 8.405 0.302 17610 17178 1 19 . 1 1 15 15 VAL N N 9 121.835 121.835 116.881 4.954 17610 17179 1 19 . 1 1 15 15 VAL HA H 9 4.616 4.616 4.546 0.070 17610 17180 1 19 . 1 1 15 15 VAL C C 9 172.824 172.824 174.036 -1.212 17610 17181 1 19 . 1 1 15 15 VAL CA C 9 58.963 58.963 58.882 0.081 17610 17182 1 19 . 1 1 15 15 VAL CB C 9 35.405 35.405 34.247 1.158 17610 17183 1 19 . 1 1 15 15 VAL H H 9 9.107 9.107 8.872 0.235 17610 17184 1 19 . 1 1 16 16 GLY N N 10 109.233 109.233 110.018 -0.785 17610 17185 1 19 . 1 1 16 16 GLY C C 10 172.504 172.504 172.348 0.156 17610 17186 1 19 . 1 1 16 16 GLY CA C 10 43.848 43.848 45.880 -2.032 17610 17187 1 19 . 1 1 16 16 GLY H H 10 7.394 7.394 8.441 -1.047 17610 17188 1 19 . 1 1 17 17 ALA N N 11 123.120 123.120 123.875 -0.755 17610 17189 1 19 . 1 1 17 17 ALA HA H 11 4.547 4.547 4.687 -0.140 17610 17190 1 19 . 1 1 17 17 ALA C C 11 177.371 177.371 177.094 0.277 17610 17191 1 19 . 1 1 17 17 ALA CA C 11 52.236 52.236 52.058 0.178 17610 17192 1 19 . 1 1 17 17 ALA CB C 11 19.807 19.807 19.471 0.336 17610 17193 1 19 . 1 1 17 17 ALA H H 11 9.054 9.054 7.973 1.081 17610 17194 1 19 . 1 1 18 18 GLY N N 12 107.391 107.391 113.752 -6.361 17610 17195 1 19 . 1 1 18 18 GLY C C 12 176.858 176.858 174.592 2.266 17610 17196 1 19 . 1 1 18 18 GLY CA C 12 46.465 46.465 46.911 -0.446 17610 17197 1 19 . 1 1 18 18 GLY H H 12 8.694 8.694 9.056 -0.362 17610 17198 1 19 . 1 1 19 19 GLY N N 13 114.596 114.596 110.032 4.564 17610 17199 1 19 . 1 1 19 19 GLY C C 13 174.661 174.661 174.538 0.123 17610 17200 1 19 . 1 1 19 19 GLY CA C 13 46.545 46.545 45.019 1.526 17610 17201 1 19 . 1 1 19 19 GLY H H 13 8.916 8.916 8.312 0.604 17610 17202 1 19 . 1 1 20 20 VAL N N 14 113.376 113.376 116.618 -3.242 17610 17203 1 19 . 1 1 20 20 VAL HA H 14 4.008 4.008 3.588 0.420 17610 17204 1 19 . 1 1 20 20 VAL C C 14 174.469 174.469 175.561 -1.092 17610 17205 1 19 . 1 1 20 20 VAL CA C 14 62.825 62.825 62.584 0.241 17610 17206 1 19 . 1 1 20 20 VAL CB C 14 31.740 31.740 30.468 1.272 17610 17207 1 19 . 1 1 20 20 VAL H H 14 7.427 7.427 8.315 -0.888 17610 17208 1 19 . 1 1 21 21 GLY N N 15 109.392 109.392 104.504 4.888 17610 17209 1 19 . 1 1 21 21 GLY C C 15 173.254 173.254 175.444 -2.190 17610 17210 1 19 . 1 1 21 21 GLY CA C 15 45.708 45.708 46.141 -0.433 17610 17211 1 19 . 1 1 21 21 GLY H H 15 8.388 8.388 8.339 0.049 17610 17212 1 19 . 1 1 22 22 LYS N N 16 124.844 124.844 119.089 5.755 17610 17213 1 19 . 1 1 22 22 LYS HA H 16 3.537 3.537 4.088 -0.551 17610 17214 1 19 . 1 1 22 22 LYS C C 16 179.106 179.106 178.099 1.007 17610 17215 1 19 . 1 1 22 22 LYS CA C 16 60.990 60.990 59.038 1.952 17610 17216 1 19 . 1 1 22 22 LYS CB C 16 29.967 29.967 32.311 -2.344 17610 17217 1 19 . 1 1 22 22 LYS H H 16 9.097 9.097 8.431 0.666 17610 17218 1 19 . 1 1 23 23 SER N N 17 121.228 121.228 114.291 6.937 17610 17219 1 19 . 1 1 23 23 SER HA H 17 4.292 4.292 4.629 -0.337 17610 17220 1 19 . 1 1 23 23 SER C C 17 175.697 175.697 176.194 -0.497 17610 17221 1 19 . 1 1 23 23 SER CA C 17 61.346 61.346 60.206 1.140 17610 17222 1 19 . 1 1 23 23 SER CB C 17 61.337 61.337 62.593 -1.256 17610 17223 1 19 . 1 1 23 23 SER H H 17 9.546 9.546 8.281 1.265 17610 17224 1 19 . 1 1 24 24 ALA N N 18 126.557 126.557 125.867 0.690 17610 17225 1 19 . 1 1 24 24 ALA HA H 18 3.946 3.946 3.923 0.023 17610 17226 1 19 . 1 1 24 24 ALA C C 18 181.834 181.834 179.219 2.615 17610 17227 1 19 . 1 1 24 24 ALA CA C 18 54.587 54.587 54.807 -0.220 17610 17228 1 19 . 1 1 24 24 ALA CB C 18 18.539 18.539 18.044 0.495 17610 17229 1 19 . 1 1 24 24 ALA H H 18 9.189 9.189 8.228 0.961 17610 17230 1 19 . 1 1 25 25 LEU N N 19 121.712 121.712 116.121 5.591 17610 17231 1 19 . 1 1 25 25 LEU HA H 19 3.878 3.878 3.940 -0.062 17610 17232 1 19 . 1 1 25 25 LEU C C 19 177.485 177.485 179.366 -1.881 17610 17233 1 19 . 1 1 25 25 LEU CA C 19 58.729 58.729 57.668 1.061 17610 17234 1 19 . 1 1 25 25 LEU CB C 19 43.227 43.227 41.538 1.689 17610 17235 1 19 . 1 1 25 25 LEU H H 19 8.817 8.817 7.663 1.154 17610 17236 1 19 . 1 1 26 26 THR N N 20 118.148 118.148 115.584 2.564 17610 17237 1 19 . 1 1 26 26 THR HA H 20 3.401 3.401 3.836 -0.435 17610 17238 1 19 . 1 1 26 26 THR C C 20 175.714 175.714 176.303 -0.589 17610 17239 1 19 . 1 1 26 26 THR CA C 20 68.122 68.122 66.029 2.093 17610 17240 1 19 . 1 1 26 26 THR CB C 20 68.196 68.196 68.822 -0.626 17610 17241 1 19 . 1 1 26 26 THR H H 20 7.517 7.517 7.449 0.068 17610 17242 1 19 . 1 1 27 27 ILE N N 21 121.987 121.987 120.639 1.348 17610 17243 1 19 . 1 1 27 27 ILE HA H 21 3.302 3.302 3.341 -0.039 17610 17244 1 19 . 1 1 27 27 ILE C C 21 175.380 175.380 177.710 -2.330 17610 17245 1 19 . 1 1 27 27 ILE CA C 21 64.278 64.278 62.217 2.061 17610 17246 1 19 . 1 1 27 27 ILE CB C 21 36.758 36.758 35.774 0.984 17610 17247 1 19 . 1 1 27 27 ILE H H 21 8.950 8.950 7.742 1.208 17610 17248 1 19 . 1 1 28 28 GLN N N 22 121.898 121.898 119.460 2.438 17610 17249 1 19 . 1 1 28 28 GLN HA H 22 4.334 4.334 3.999 0.335 17610 17250 1 19 . 1 1 28 28 GLN C C 22 179.058 179.058 178.630 0.428 17610 17251 1 19 . 1 1 28 28 GLN CA C 22 58.796 58.796 58.602 0.194 17610 17252 1 19 . 1 1 28 28 GLN CB C 22 29.752 29.752 28.226 1.526 17610 17253 1 19 . 1 1 28 28 GLN H H 22 8.094 8.094 8.329 -0.235 17610 17254 1 19 . 1 1 29 29 LEU N N 23 121.426 121.426 117.338 4.088 17610 17255 1 19 . 1 1 29 29 LEU HA H 23 3.765 3.765 4.154 -0.389 17610 17256 1 19 . 1 1 29 29 LEU C C 23 178.155 178.155 176.225 1.930 17610 17257 1 19 . 1 1 29 29 LEU CA C 23 58.304 58.304 55.894 2.410 17610 17258 1 19 . 1 1 29 29 LEU CB C 23 40.637 40.637 41.709 -1.072 17610 17259 1 19 . 1 1 29 29 LEU H H 23 7.746 7.746 7.421 0.325 17610 17260 1 19 . 1 1 30 30 ILE N N 24 115.325 115.325 117.234 -1.909 17610 17261 1 19 . 1 1 30 30 ILE HA H 24 3.697 3.697 3.927 -0.230 17610 17262 1 19 . 1 1 30 30 ILE C C 24 177.421 177.421 177.627 -0.206 17610 17263 1 19 . 1 1 30 30 ILE CA C 24 62.050 62.050 61.845 0.205 17610 17264 1 19 . 1 1 30 30 ILE CB C 24 37.183 37.183 37.964 -0.781 17610 17265 1 19 . 1 1 30 30 ILE H H 24 8.115 8.115 7.271 0.844 17610 17266 1 19 . 1 1 31 31 GLN N N 25 117.213 117.213 118.085 -0.872 17610 17267 1 19 . 1 1 31 31 GLN HA H 25 4.539 4.539 4.211 0.328 17610 17268 1 19 . 1 1 31 31 GLN C C 25 176.149 176.149 175.789 0.360 17610 17269 1 19 . 1 1 31 31 GLN CA C 25 55.234 55.234 56.505 -1.271 17610 17270 1 19 . 1 1 31 31 GLN CB C 25 30.184 30.184 29.680 0.504 17610 17271 1 19 . 1 1 31 31 GLN H H 25 8.887 8.887 7.910 0.977 17610 17272 1 19 . 1 1 32 32 ASN N N 26 117.820 117.820 114.051 3.769 17610 17273 1 19 . 1 1 32 32 ASN HA H 26 4.807 4.807 4.456 0.351 17610 17274 1 19 . 1 1 32 32 ASN C C 26 174.051 174.051 173.477 0.574 17610 17275 1 19 . 1 1 32 32 ASN CA C 26 54.310 54.310 53.929 0.381 17610 17276 1 19 . 1 1 32 32 ASN CB C 26 37.184 37.184 36.570 0.614 17610 17277 1 19 . 1 1 32 32 ASN H H 26 7.982 7.982 8.170 -0.188 17610 17278 1 19 . 1 1 33 33 HIS N N 27 112.968 112.968 111.736 1.232 17610 17279 1 19 . 1 1 33 33 HIS HA H 27 4.889 4.889 4.740 0.149 17610 17280 1 19 . 1 1 33 33 HIS C C 27 172.514 172.514 173.525 -1.011 17610 17281 1 19 . 1 1 33 33 HIS CA C 27 54.314 54.314 54.541 -0.227 17610 17282 1 19 . 1 1 33 33 HIS CB C 27 32.616 32.616 31.411 1.205 17610 17283 1 19 . 1 1 33 33 HIS H H 27 6.804 6.804 6.948 -0.144 17610 17284 1 19 . 1 1 34 34 PHE N N 28 123.605 123.605 123.009 0.596 17610 17285 1 19 . 1 1 34 34 PHE HA H 28 4.914 4.914 4.503 0.411 17610 17286 1 19 . 1 1 34 34 PHE C C 28 174.641 174.641 176.090 -1.449 17610 17287 1 19 . 1 1 34 34 PHE CA C 28 55.754 55.754 57.710 -1.956 17610 17288 1 19 . 1 1 34 34 PHE CB C 28 40.573 40.573 39.367 1.206 17610 17289 1 19 . 1 1 34 34 PHE H H 28 8.462 8.462 8.673 -0.211 17610 17290 1 19 . 1 1 35 35 VAL N N 29 126.695 126.695 126.415 0.280 17610 17291 1 19 . 1 1 35 35 VAL HA H 29 3.911 3.911 4.212 -0.301 17610 17292 1 19 . 1 1 35 35 VAL C C 29 173.764 173.764 176.702 -2.938 17610 17293 1 19 . 1 1 35 35 VAL CA C 29 61.275 61.275 64.405 -3.130 17610 17294 1 19 . 1 1 35 35 VAL CB C 29 33.154 33.154 32.340 0.814 17610 17295 1 19 . 1 1 35 35 VAL H H 29 7.537 7.537 8.770 -1.233 17610 17296 1 19 . 1 1 36 36 ASP N N 30 123.271 123.271 118.339 4.932 17610 17297 1 19 . 1 1 36 36 ASP HA H 30 4.185 4.185 4.038 0.147 17610 17298 1 19 . 1 1 36 36 ASP C C 30 176.129 176.129 175.430 0.699 17610 17299 1 19 . 1 1 36 36 ASP CA C 30 54.662 54.662 56.235 -1.573 17610 17300 1 19 . 1 1 36 36 ASP CB C 30 41.323 41.323 40.185 1.138 17610 17301 1 19 . 1 1 36 36 ASP H H 30 7.618 7.618 8.895 -1.277 17610 17302 1 19 . 1 1 37 37 GLU N N 31 119.730 119.730 117.221 2.509 17610 17303 1 19 . 1 1 37 37 GLU HA H 31 4.262 4.262 4.375 -0.113 17610 17304 1 19 . 1 1 37 37 GLU C C 31 174.901 174.901 174.589 0.312 17610 17305 1 19 . 1 1 37 37 GLU CA C 31 56.137 56.137 56.380 -0.243 17610 17306 1 19 . 1 1 37 37 GLU CB C 31 30.459 30.459 30.364 0.095 17610 17307 1 19 . 1 1 37 37 GLU H H 31 7.857 7.857 8.346 -0.489 17610 17308 1 19 . 1 1 38 38 TYR N N 32 123.296 123.296 122.244 1.052 17610 17309 1 19 . 1 1 38 38 TYR HA H 32 4.486 4.486 4.792 -0.306 17610 17310 1 19 . 1 1 38 38 TYR C C 32 174.370 174.370 173.710 0.660 17610 17311 1 19 . 1 1 38 38 TYR CA C 32 57.511 57.511 58.187 -0.676 17610 17312 1 19 . 1 1 38 38 TYR CB C 32 39.199 39.199 40.232 -1.033 17610 17313 1 19 . 1 1 38 38 TYR H H 32 8.244 8.244 8.007 0.237 17610 17314 1 19 . 1 1 39 39 ASP N N 33 127.452 127.452 124.424 3.028 17610 17315 1 19 . 1 1 39 39 ASP HA H 33 4.891 4.891 4.536 0.355 17610 17316 1 19 . 1 1 39 39 ASP CA C 33 51.207 51.207 51.330 -0.123 17610 17317 1 19 . 1 1 39 39 ASP CB C 33 41.837 41.837 41.787 0.050 17610 17318 1 19 . 1 1 39 39 ASP H H 33 8.158 8.158 8.069 0.089 17610 17319 1 19 . 1 1 40 40 PRO HA H 34 4.405 4.405 4.444 -0.039 17610 17320 1 19 . 1 1 40 40 PRO C C 34 176.938 176.938 176.324 0.614 17610 17321 1 19 . 1 1 40 40 PRO CA C 34 63.068 63.068 62.446 0.622 17610 17322 1 19 . 1 1 40 40 PRO CB C 34 32.089 32.089 30.354 1.735 17610 17323 1 19 . 1 1 41 41 SER N N 35 117.575 117.575 114.499 3.076 17610 17324 1 19 . 1 1 41 41 SER HA H 35 4.433 4.433 3.966 0.467 17610 17325 1 19 . 1 1 41 41 SER C C 35 174.777 174.777 173.569 1.208 17610 17326 1 19 . 1 1 41 41 SER CA C 35 58.346 58.346 58.921 -0.575 17610 17327 1 19 . 1 1 41 41 SER CB C 35 63.704 63.704 62.501 1.203 17610 17328 1 19 . 1 1 41 41 SER H H 35 8.495 8.495 8.285 0.210 17610 17329 1 19 . 1 1 42 42 ILE N N 36 123.018 123.018 115.169 7.849 17610 17330 1 19 . 1 1 42 42 ILE HA H 36 4.219 4.219 4.317 -0.098 17610 17331 1 19 . 1 1 42 42 ILE C C 36 175.966 175.966 175.242 0.724 17610 17332 1 19 . 1 1 42 42 ILE CA C 36 61.665 61.665 59.069 2.596 17610 17333 1 19 . 1 1 42 42 ILE CB C 36 38.745 38.745 40.530 -1.785 17610 17334 1 19 . 1 1 42 42 ILE H H 36 7.919 7.919 7.507 0.412 17610 17335 1 19 . 1 1 43 43 GLU N N 37 124.699 124.699 122.303 2.396 17610 17336 1 19 . 1 1 43 43 GLU HA H 37 4.381 4.381 4.225 0.156 17610 17337 1 19 . 1 1 43 43 GLU C C 37 179.069 179.069 175.604 3.465 17610 17338 1 19 . 1 1 43 43 GLU CA C 37 56.223 56.223 56.109 0.114 17610 17339 1 19 . 1 1 43 43 GLU CB C 37 30.616 30.616 29.057 1.559 17610 17340 1 19 . 1 1 43 43 GLU H H 37 8.201 8.201 8.585 -0.384 17610 17341 1 19 . 1 1 44 44 ASP N N 38 121.902 121.902 115.434 6.468 17610 17342 1 19 . 1 1 44 44 ASP HA H 38 4.622 4.622 4.244 0.378 17610 17343 1 19 . 1 1 44 44 ASP C C 38 174.634 174.634 174.756 -0.122 17610 17344 1 19 . 1 1 44 44 ASP CA C 38 54.095 54.095 55.353 -1.258 17610 17345 1 19 . 1 1 44 44 ASP CB C 38 41.837 41.837 40.010 1.827 17610 17346 1 19 . 1 1 44 44 ASP H H 38 8.094 8.094 8.305 -0.211 17610 17347 1 19 . 1 1 45 45 SER N N 39 114.779 114.779 113.202 1.577 17610 17348 1 19 . 1 1 45 45 SER HA H 39 4.923 4.923 4.935 -0.012 17610 17349 1 19 . 1 1 45 45 SER C C 39 173.339 173.339 173.011 0.328 17610 17350 1 19 . 1 1 45 45 SER CA C 39 57.023 57.023 57.363 -0.340 17610 17351 1 19 . 1 1 45 45 SER CB C 39 64.751 64.751 64.715 0.036 17610 17352 1 19 . 1 1 45 45 SER H H 39 7.792 7.792 7.271 0.521 17610 17353 1 19 . 1 1 46 46 TYR N N 40 124.235 124.235 124.565 -0.330 17610 17354 1 19 . 1 1 46 46 TYR HA H 40 4.662 4.662 4.752 -0.090 17610 17355 1 19 . 1 1 46 46 TYR C C 40 173.910 173.910 173.858 0.052 17610 17356 1 19 . 1 1 46 46 TYR CA C 40 56.944 56.944 56.789 0.155 17610 17357 1 19 . 1 1 46 46 TYR CB C 40 41.323 41.323 41.918 -0.595 17610 17358 1 19 . 1 1 46 46 TYR H H 40 8.976 8.976 9.047 -0.071 17610 17359 1 19 . 1 1 47 47 ARG N N 41 121.906 121.906 117.951 3.955 17610 17360 1 19 . 1 1 47 47 ARG HA H 41 5.802 5.802 5.420 0.382 17610 17361 1 19 . 1 1 47 47 ARG C C 41 176.150 176.150 175.039 1.111 17610 17362 1 19 . 1 1 47 47 ARG CA C 41 54.129 54.129 54.288 -0.159 17610 17363 1 19 . 1 1 47 47 ARG CB C 41 34.105 34.105 34.309 -0.204 17610 17364 1 19 . 1 1 47 47 ARG H H 41 8.238 8.238 8.483 -0.245 17610 17365 1 19 . 1 1 48 48 LYS N N 42 123.924 123.924 119.565 4.359 17610 17366 1 19 . 1 1 48 48 LYS HA H 42 4.508 4.508 4.465 0.043 17610 17367 1 19 . 1 1 48 48 LYS C C 42 173.710 173.710 173.945 -0.235 17610 17368 1 19 . 1 1 48 48 LYS CA C 42 55.651 55.651 55.711 -0.060 17610 17369 1 19 . 1 1 48 48 LYS CB C 42 38.139 38.139 36.711 1.428 17610 17370 1 19 . 1 1 48 48 LYS H H 42 8.705 8.705 8.240 0.465 17610 17371 1 19 . 1 1 49 49 GLN N N 43 130.301 130.301 125.296 5.005 17610 17372 1 19 . 1 1 49 49 GLN HA H 43 5.230 5.230 4.693 0.537 17610 17373 1 19 . 1 1 49 49 GLN C C 43 175.254 175.254 175.016 0.238 17610 17374 1 19 . 1 1 49 49 GLN CA C 43 55.496 55.496 55.015 0.481 17610 17375 1 19 . 1 1 49 49 GLN CB C 43 29.892 29.892 30.022 -0.130 17610 17376 1 19 . 1 1 49 49 GLN H H 43 8.897 8.897 8.576 0.321 17610 17377 1 19 . 1 1 50 50 VAL N N 44 122.354 122.354 121.067 1.287 17610 17378 1 19 . 1 1 50 50 VAL HA H 44 4.772 4.772 4.671 0.101 17610 17379 1 19 . 1 1 50 50 VAL C C 44 173.116 173.116 173.316 -0.200 17610 17380 1 19 . 1 1 50 50 VAL CA C 44 59.238 59.238 59.427 -0.189 17610 17381 1 19 . 1 1 50 50 VAL CB C 44 35.888 35.888 35.563 0.325 17610 17382 1 19 . 1 1 50 50 VAL H H 44 9.104 9.104 8.321 0.783 17610 17383 1 19 . 1 1 51 51 VAL N N 45 122.385 122.385 120.737 1.648 17610 17384 1 19 . 1 1 51 51 VAL HA H 45 4.462 4.462 4.328 0.134 17610 17385 1 19 . 1 1 51 51 VAL C C 45 175.450 175.450 175.180 0.270 17610 17386 1 19 . 1 1 51 51 VAL CA C 45 61.832 61.832 61.756 0.076 17610 17387 1 19 . 1 1 51 51 VAL CB C 45 32.228 32.228 31.247 0.981 17610 17388 1 19 . 1 1 51 51 VAL H H 45 8.100 8.100 8.281 -0.181 17610 17389 1 19 . 1 1 52 52 ILE N N 46 126.953 126.953 127.859 -0.906 17610 17390 1 19 . 1 1 52 52 ILE HA H 46 3.995 3.995 4.186 -0.191 17610 17391 1 19 . 1 1 52 52 ILE C C 46 176.424 176.424 176.007 0.417 17610 17392 1 19 . 1 1 52 52 ILE CA C 46 60.343 60.343 60.429 -0.086 17610 17393 1 19 . 1 1 52 52 ILE CB C 46 40.096 40.096 39.499 0.597 17610 17394 1 19 . 1 1 52 52 ILE H H 46 8.118 8.118 7.809 0.309 17610 17395 1 19 . 1 1 53 53 ASP N N 47 132.206 132.206 127.513 4.693 17610 17396 1 19 . 1 1 53 53 ASP HA H 47 4.267 4.267 4.381 -0.114 17610 17397 1 19 . 1 1 53 53 ASP C C 47 176.121 176.121 176.360 -0.239 17610 17398 1 19 . 1 1 53 53 ASP CA C 47 55.267 55.267 54.499 0.768 17610 17399 1 19 . 1 1 53 53 ASP CB C 47 39.203 39.203 40.205 -1.002 17610 17400 1 19 . 1 1 53 53 ASP H H 47 9.605 9.605 9.071 0.534 17610 17401 1 19 . 1 1 54 54 GLY N N 48 104.275 104.275 104.621 -0.346 17610 17402 1 19 . 1 1 54 54 GLY C C 48 173.219 173.219 173.757 -0.538 17610 17403 1 19 . 1 1 54 54 GLY CA C 48 45.318 45.318 45.552 -0.234 17610 17404 1 19 . 1 1 54 54 GLY H H 48 8.332 8.332 8.615 -0.283 17610 17405 1 19 . 1 1 55 55 GLU N N 49 123.384 123.384 119.592 3.792 17610 17406 1 19 . 1 1 55 55 GLU HA H 49 4.691 4.691 4.579 0.112 17610 17407 1 19 . 1 1 55 55 GLU C C 49 175.614 175.614 175.392 0.222 17610 17408 1 19 . 1 1 55 55 GLU CA C 49 54.719 54.719 55.116 -0.397 17610 17409 1 19 . 1 1 55 55 GLU CB C 49 31.803 31.803 32.040 -0.237 17610 17410 1 19 . 1 1 55 55 GLU H H 49 7.684 7.684 7.527 0.157 17610 17411 1 19 . 1 1 56 56 THR N N 50 127.153 127.153 123.609 3.544 17610 17412 1 19 . 1 1 56 56 THR HA H 50 4.727 4.727 4.538 0.189 17610 17413 1 19 . 1 1 56 56 THR C C 50 173.530 173.530 174.266 -0.736 17610 17414 1 19 . 1 1 56 56 THR CA C 50 63.521 63.521 64.146 -0.625 17610 17415 1 19 . 1 1 56 56 THR CB C 50 68.478 68.478 69.157 -0.679 17610 17416 1 19 . 1 1 56 56 THR H H 50 8.951 8.951 8.579 0.372 17610 17417 1 19 . 1 1 57 57 CYS N N 51 124.835 124.835 123.988 0.847 17610 17418 1 19 . 1 1 57 57 CYS HA H 51 5.086 5.086 4.876 0.210 17610 17419 1 19 . 1 1 57 57 CYS C C 51 170.937 170.937 172.847 -1.910 17610 17420 1 19 . 1 1 57 57 CYS CA C 51 56.423 56.423 58.060 -1.637 17610 17421 1 19 . 1 1 57 57 CYS CB C 51 31.549 31.549 31.776 -0.227 17610 17422 1 19 . 1 1 57 57 CYS H H 51 9.424 9.424 8.565 0.859 17610 17423 1 19 . 1 1 58 58 LEU N N 52 123.111 123.111 122.267 0.844 17610 17424 1 19 . 1 1 58 58 LEU HA H 52 4.943 4.943 4.921 0.022 17610 17425 1 19 . 1 1 58 58 LEU C C 52 175.044 175.044 175.855 -0.811 17610 17426 1 19 . 1 1 58 58 LEU CA C 52 53.372 53.372 54.075 -0.703 17610 17427 1 19 . 1 1 58 58 LEU CB C 52 44.304 44.304 43.684 0.621 17610 17428 1 19 . 1 1 58 58 LEU H H 52 8.803 8.803 9.028 -0.225 17610 17429 1 19 . 1 1 59 59 LEU N N 53 124.540 124.540 124.415 0.125 17610 17430 1 19 . 1 1 59 59 LEU HA H 53 4.888 4.888 4.688 0.200 17610 17431 1 19 . 1 1 59 59 LEU C C 53 174.358 174.358 175.210 -0.852 17610 17432 1 19 . 1 1 59 59 LEU CA C 53 53.490 53.490 53.935 -0.445 17610 17433 1 19 . 1 1 59 59 LEU CB C 53 42.195 42.195 42.548 -0.353 17610 17434 1 19 . 1 1 59 59 LEU H H 53 9.054 9.054 9.276 -0.222 17610 17435 1 19 . 1 1 60 60 ASP N N 54 126.666 126.666 125.917 0.749 17610 17436 1 19 . 1 1 60 60 ASP HA H 54 5.225 5.225 5.001 0.224 17610 17437 1 19 . 1 1 60 60 ASP C C 54 174.846 174.846 175.274 -0.428 17610 17438 1 19 . 1 1 60 60 ASP CA C 54 53.040 53.040 53.443 -0.403 17610 17439 1 19 . 1 1 60 60 ASP CB C 54 42.622 42.622 41.425 1.197 17610 17440 1 19 . 1 1 60 60 ASP H H 54 8.739 8.739 8.610 0.129 17610 17441 1 19 . 1 1 61 61 ILE N N 55 125.100 125.100 125.393 -0.293 17610 17442 1 19 . 1 1 61 61 ILE HA H 55 4.690 4.690 4.584 0.106 17610 17443 1 19 . 1 1 61 61 ILE C C 55 174.745 174.745 174.837 -0.092 17610 17444 1 19 . 1 1 61 61 ILE CA C 55 60.331 60.331 58.858 1.473 17610 17445 1 19 . 1 1 61 61 ILE CB C 55 39.682 39.682 36.829 2.853 17610 17446 1 19 . 1 1 61 61 ILE H H 55 9.115 9.115 8.651 0.464 17610 17447 1 19 . 1 1 62 62 LEU N N 56 131.208 131.208 130.126 1.082 17610 17448 1 19 . 1 1 62 62 LEU HA H 56 4.667 4.667 4.631 0.036 17610 17449 1 19 . 1 1 62 62 LEU C C 56 174.063 174.063 174.008 0.055 17610 17450 1 19 . 1 1 62 62 LEU CA C 56 53.795 53.795 53.852 -0.057 17610 17451 1 19 . 1 1 62 62 LEU CB C 56 42.256 42.256 44.653 -2.397 17610 17452 1 19 . 1 1 62 62 LEU H H 56 9.014 9.014 8.962 0.052 17610 17453 1 19 . 1 1 63 63 ASP N N 57 128.415 128.415 128.463 -0.048 17610 17454 1 19 . 1 1 63 63 ASP HA H 57 4.783 4.783 4.894 -0.111 17610 17455 1 19 . 1 1 63 63 ASP C C 57 176.341 176.341 176.031 0.310 17610 17456 1 19 . 1 1 63 63 ASP CA C 57 52.988 52.988 53.545 -0.558 17610 17457 1 19 . 1 1 63 63 ASP CB C 57 41.837 41.837 42.506 -0.669 17610 17458 1 19 . 1 1 63 63 ASP H H 57 8.657 8.657 8.006 0.651 17610 17459 1 19 . 1 1 64 64 THR N N 58 114.950 114.950 118.982 -4.032 17610 17460 1 19 . 1 1 64 64 THR HA H 58 4.425 4.425 4.351 0.074 17610 17461 1 19 . 1 1 64 64 THR C C 58 172.734 172.734 173.575 -0.841 17610 17462 1 19 . 1 1 64 64 THR CA C 58 61.488 61.488 60.797 0.691 17610 17463 1 19 . 1 1 64 64 THR CB C 58 71.398 71.398 70.925 0.473 17610 17464 1 19 . 1 1 64 64 THR H H 58 7.369 7.369 7.698 -0.329 17610 17465 1 19 . 1 1 65 65 ALA N N 59 123.940 123.940 122.558 1.382 17610 17466 1 19 . 1 1 65 65 ALA HA H 59 4.764 4.764 4.570 0.194 17610 17467 1 19 . 1 1 65 65 ALA C C 59 179.480 179.480 178.345 1.135 17610 17468 1 19 . 1 1 65 65 ALA CA C 59 51.422 51.422 50.938 0.484 17610 17469 1 19 . 1 1 65 65 ALA CB C 59 20.796 20.796 20.737 0.059 17610 17470 1 19 . 1 1 65 65 ALA H H 59 8.329 8.329 8.048 0.281 17610 17471 1 19 . 1 1 66 66 GLY N N 60 112.527 112.527 107.442 5.085 17610 17472 1 19 . 1 1 66 66 GLY C C 60 174.938 174.938 175.094 -0.156 17610 17473 1 19 . 1 1 66 66 GLY CA C 60 46.057 46.057 47.343 -1.286 17610 17474 1 19 . 1 1 66 66 GLY H H 60 9.397 9.397 8.805 0.592 17610 17475 1 19 . 1 1 67 67 GLN N N 61 120.877 120.877 118.680 2.197 17610 17476 1 19 . 1 1 67 67 GLN HA H 61 4.422 4.422 4.458 -0.036 17610 17477 1 19 . 1 1 67 67 GLN C C 61 176.298 176.298 176.309 -0.011 17610 17478 1 19 . 1 1 67 67 GLN CA C 61 56.355 56.355 56.718 -0.362 17610 17479 1 19 . 1 1 67 67 GLN CB C 61 29.438 29.438 30.003 -0.565 17610 17480 1 19 . 1 1 67 67 GLN H H 61 8.237 8.237 8.122 0.115 17610 17481 1 19 . 1 1 68 68 GLU N N 62 123.751 123.751 119.530 4.221 17610 17482 1 19 . 1 1 68 68 GLU HA H 62 4.208 4.208 4.068 0.140 17610 17483 1 19 . 1 1 68 68 GLU C C 62 177.032 177.032 174.987 2.045 17610 17484 1 19 . 1 1 68 68 GLU CA C 62 57.801 57.801 57.312 0.489 17610 17485 1 19 . 1 1 68 68 GLU CB C 62 29.834 29.834 28.922 0.912 17610 17486 1 19 . 1 1 68 68 GLU H H 62 8.738 8.738 8.639 0.099 17610 17487 1 19 . 1 1 69 69 GLU N N 63 121.861 121.861 114.070 7.791 17610 17488 1 19 . 1 1 69 69 GLU HA H 63 4.228 4.228 3.868 0.360 17610 17489 1 19 . 1 1 69 69 GLU C C 63 176.145 176.145 175.051 1.094 17610 17490 1 19 . 1 1 69 69 GLU CA C 63 57.026 57.026 57.291 -0.265 17610 17491 1 19 . 1 1 69 69 GLU CB C 63 30.231 30.231 28.758 1.474 17610 17492 1 19 . 1 1 69 69 GLU H H 63 8.607 8.607 8.499 0.108 17610 17493 1 19 . 1 1 70 70 TYR N N 64 121.801 121.801 120.251 1.550 17610 17494 1 19 . 1 1 70 70 TYR HA H 64 4.587 4.587 4.649 -0.062 17610 17495 1 19 . 1 1 70 70 TYR C C 64 175.965 175.965 175.210 0.755 17610 17496 1 19 . 1 1 70 70 TYR CA C 64 58.160 58.160 57.784 0.376 17610 17497 1 19 . 1 1 70 70 TYR CB C 64 38.288 38.288 38.778 -0.490 17610 17498 1 19 . 1 1 70 70 TYR H H 64 8.225 8.225 8.161 0.064 17610 17499 1 19 . 1 1 71 71 SER N N 65 120.137 120.137 121.601 -1.464 17610 17500 1 19 . 1 1 71 71 SER HA H 65 4.269 4.269 4.466 -0.197 17610 17501 1 19 . 1 1 71 71 SER C C 65 174.912 174.912 175.679 -0.767 17610 17502 1 19 . 1 1 71 71 SER CA C 65 58.755 58.755 58.280 0.475 17610 17503 1 19 . 1 1 71 71 SER CB C 65 63.755 63.755 64.360 -0.605 17610 17504 1 19 . 1 1 71 71 SER H H 65 7.884 7.884 8.738 -0.854 17610 17505 1 19 . 1 1 72 72 ALA N N 66 127.848 127.848 125.693 2.155 17610 17506 1 19 . 1 1 72 72 ALA HA H 66 4.193 4.193 4.051 0.142 17610 17507 1 19 . 1 1 72 72 ALA C C 66 179.820 179.820 179.788 0.032 17610 17508 1 19 . 1 1 72 72 ALA CA C 66 54.595 54.595 55.139 -0.544 17610 17509 1 19 . 1 1 72 72 ALA CB C 66 18.264 18.264 18.260 0.004 17610 17510 1 19 . 1 1 72 72 ALA H H 66 8.706 8.706 8.698 0.008 17610 17511 1 19 . 1 1 73 73 MET N N 67 118.448 118.448 117.639 0.809 17610 17512 1 19 . 1 1 73 73 MET HA H 67 4.271 4.271 3.914 0.357 17610 17513 1 19 . 1 1 73 73 MET C C 67 177.098 177.098 177.586 -0.488 17610 17514 1 19 . 1 1 73 73 MET CA C 67 56.915 56.915 58.217 -1.302 17610 17515 1 19 . 1 1 73 73 MET CB C 67 32.031 32.031 32.101 -0.070 17610 17516 1 19 . 1 1 73 73 MET H H 67 8.007 8.007 8.071 -0.064 17610 17517 1 19 . 1 1 74 74 ARG N N 68 121.351 121.351 119.149 2.202 17610 17518 1 19 . 1 1 74 74 ARG HA H 68 3.793 3.793 4.090 -0.297 17610 17519 1 19 . 1 1 74 74 ARG C C 68 177.730 177.730 178.364 -0.634 17610 17520 1 19 . 1 1 74 74 ARG CA C 68 59.093 59.093 59.769 -0.676 17610 17521 1 19 . 1 1 74 74 ARG CB C 68 30.118 30.118 29.481 0.637 17610 17522 1 19 . 1 1 74 74 ARG H H 68 7.761 7.761 8.283 -0.522 17610 17523 1 19 . 1 1 75 75 ASP N N 69 119.938 119.938 117.923 2.015 17610 17524 1 19 . 1 1 75 75 ASP HA H 69 4.286 4.286 4.445 -0.159 17610 17525 1 19 . 1 1 75 75 ASP C C 69 177.998 177.998 178.316 -0.318 17610 17526 1 19 . 1 1 75 75 ASP CA C 69 57.555 57.555 57.413 0.141 17610 17527 1 19 . 1 1 75 75 ASP CB C 69 40.401 40.401 40.644 -0.242 17610 17528 1 19 . 1 1 75 75 ASP H H 69 8.077 8.077 7.833 0.244 17610 17529 1 19 . 1 1 76 76 GLN N N 70 119.151 119.151 119.473 -0.322 17610 17530 1 19 . 1 1 76 76 GLN HA H 70 4.050 4.050 4.063 -0.013 17610 17531 1 19 . 1 1 76 76 GLN C C 70 178.837 178.837 178.501 0.336 17610 17532 1 19 . 1 1 76 76 GLN CA C 70 58.920 58.920 58.543 0.377 17610 17533 1 19 . 1 1 76 76 GLN CB C 70 28.063 28.063 28.069 -0.006 17610 17534 1 19 . 1 1 76 76 GLN H H 70 7.789 7.789 7.286 0.503 17610 17535 1 19 . 1 1 77 77 TYR N N 71 119.847 119.847 118.508 1.339 17610 17536 1 19 . 1 1 77 77 TYR HA H 71 4.548 4.548 4.391 0.157 17610 17537 1 19 . 1 1 77 77 TYR C C 71 178.680 178.680 179.020 -0.340 17610 17538 1 19 . 1 1 77 77 TYR CA C 71 58.785 58.785 60.154 -1.369 17610 17539 1 19 . 1 1 77 77 TYR CB C 71 36.986 36.986 37.712 -0.726 17610 17540 1 19 . 1 1 77 77 TYR H H 71 8.131 8.131 7.866 0.265 17610 17541 1 19 . 1 1 78 78 MET N N 72 119.987 119.987 117.124 2.863 17610 17542 1 19 . 1 1 78 78 MET HA H 72 4.402 4.402 4.621 -0.219 17610 17543 1 19 . 1 1 78 78 MET C C 72 177.008 177.008 178.379 -1.371 17610 17544 1 19 . 1 1 78 78 MET CA C 72 59.028 59.028 59.387 -0.359 17610 17545 1 19 . 1 1 78 78 MET CB C 72 32.709 32.709 32.580 0.129 17610 17546 1 19 . 1 1 78 78 MET H H 72 8.380 8.380 8.102 0.278 17610 17547 1 19 . 1 1 79 79 ARG N N 73 117.792 117.792 115.760 2.032 17610 17548 1 19 . 1 1 79 79 ARG HA H 73 3.914 3.914 4.291 -0.377 17610 17549 1 19 . 1 1 79 79 ARG C C 73 178.169 178.169 177.559 0.610 17610 17550 1 19 . 1 1 79 79 ARG CA C 73 59.493 59.493 58.283 1.210 17610 17551 1 19 . 1 1 79 79 ARG CB C 73 30.100 30.100 30.768 -0.668 17610 17552 1 19 . 1 1 79 79 ARG H H 73 7.992 7.992 7.674 0.318 17610 17553 1 19 . 1 1 80 80 THR N N 74 110.012 110.012 107.751 2.261 17610 17554 1 19 . 1 1 80 80 THR HA H 74 4.242 4.242 4.381 -0.139 17610 17555 1 19 . 1 1 80 80 THR C C 74 175.640 175.640 175.051 0.589 17610 17556 1 19 . 1 1 80 80 THR CA C 74 62.863 62.863 62.555 0.308 17610 17557 1 19 . 1 1 80 80 THR CB C 74 69.808 69.808 70.041 -0.233 17610 17558 1 19 . 1 1 80 80 THR H H 74 7.718 7.718 7.257 0.461 17610 17559 1 19 . 1 1 81 81 GLY N N 75 109.297 109.297 109.894 -0.597 17610 17560 1 19 . 1 1 81 81 GLY C C 75 172.419 172.419 173.589 -1.170 17610 17561 1 19 . 1 1 81 81 GLY CA C 75 46.504 46.504 44.520 1.984 17610 17562 1 19 . 1 1 81 81 GLY H H 75 7.852 7.852 7.507 0.345 17610 17563 1 19 . 1 1 82 82 GLU N N 76 122.399 122.399 123.396 -0.997 17610 17564 1 19 . 1 1 82 82 GLU HA H 76 4.523 4.523 4.132 0.391 17610 17565 1 19 . 1 1 82 82 GLU C C 76 176.409 176.409 175.811 0.598 17610 17566 1 19 . 1 1 82 82 GLU CA C 76 56.469 56.469 58.163 -1.694 17610 17567 1 19 . 1 1 82 82 GLU CB C 76 32.049 32.049 30.472 1.577 17610 17568 1 19 . 1 1 82 82 GLU H H 76 8.879 8.879 8.261 0.618 17610 17569 1 19 . 1 1 83 83 GLY N N 77 102.282 102.282 104.330 -2.048 17610 17570 1 19 . 1 1 83 83 GLY C C 77 170.803 170.803 171.580 -0.777 17610 17571 1 19 . 1 1 83 83 GLY CA C 77 45.453 45.453 44.705 0.748 17610 17572 1 19 . 1 1 83 83 GLY H H 77 7.192 7.192 7.247 -0.055 17610 17573 1 19 . 1 1 84 84 PHE N N 78 122.648 122.648 119.445 3.203 17610 17574 1 19 . 1 1 84 84 PHE HA H 78 5.448 5.448 5.622 -0.174 17610 17575 1 19 . 1 1 84 84 PHE C C 78 173.734 173.734 174.237 -0.503 17610 17576 1 19 . 1 1 84 84 PHE CA C 78 57.065 57.065 55.778 1.287 17610 17577 1 19 . 1 1 84 84 PHE CB C 78 42.997 42.997 43.123 -0.126 17610 17578 1 19 . 1 1 84 84 PHE H H 78 8.224 8.224 8.386 -0.162 17610 17579 1 19 . 1 1 85 85 LEU N N 79 127.298 127.298 123.358 3.940 17610 17580 1 19 . 1 1 85 85 LEU HA H 79 4.690 4.690 5.013 -0.323 17610 17581 1 19 . 1 1 85 85 LEU C C 79 174.690 174.690 175.108 -0.418 17610 17582 1 19 . 1 1 85 85 LEU CA C 79 53.981 53.981 54.053 -0.072 17610 17583 1 19 . 1 1 85 85 LEU CB C 79 43.058 43.058 46.013 -2.955 17610 17584 1 19 . 1 1 85 85 LEU H H 79 9.189 9.189 8.853 0.336 17610 17585 1 19 . 1 1 86 86 CYS N N 80 125.581 125.581 126.787 -1.206 17610 17586 1 19 . 1 1 86 86 CYS HA H 80 4.689 4.689 4.930 -0.241 17610 17587 1 19 . 1 1 86 86 CYS C C 80 172.664 172.664 174.090 -1.426 17610 17588 1 19 . 1 1 86 86 CYS CA C 80 57.767 57.767 57.533 0.234 17610 17589 1 19 . 1 1 86 86 CYS CB C 80 27.397 27.397 26.601 0.796 17610 17590 1 19 . 1 1 86 86 CYS H H 80 8.720 8.720 9.367 -0.647 17610 17591 1 19 . 1 1 87 87 VAL N N 81 127.252 127.252 128.275 -1.023 17610 17592 1 19 . 1 1 87 87 VAL HA H 81 4.983 4.983 4.598 0.385 17610 17593 1 19 . 1 1 87 87 VAL C C 81 175.119 175.119 174.670 0.449 17610 17594 1 19 . 1 1 87 87 VAL CA C 81 61.275 61.275 61.817 -0.542 17610 17595 1 19 . 1 1 87 87 VAL CB C 81 33.407 33.407 31.915 1.492 17610 17596 1 19 . 1 1 87 87 VAL H H 81 9.028 9.028 9.026 0.002 17610 17597 1 19 . 1 1 88 88 PHE N N 82 125.157 125.157 125.999 -0.842 17610 17598 1 19 . 1 1 88 88 PHE HA H 82 4.992 4.992 5.244 -0.252 17610 17599 1 19 . 1 1 88 88 PHE C C 82 171.162 171.162 173.405 -2.243 17610 17600 1 19 . 1 1 88 88 PHE CA C 82 55.349 55.349 54.343 1.006 17610 17601 1 19 . 1 1 88 88 PHE CB C 82 40.430 40.430 42.841 -2.411 17610 17602 1 19 . 1 1 88 88 PHE H H 82 9.306 9.306 8.771 0.535 17610 17603 1 19 . 1 1 89 89 ALA N N 83 122.321 122.321 123.522 -1.201 17610 17604 1 19 . 1 1 89 89 ALA HA H 83 5.082 5.082 4.558 0.524 17610 17605 1 19 . 1 1 89 89 ALA C C 83 179.267 179.267 178.491 0.776 17610 17606 1 19 . 1 1 89 89 ALA CA C 83 49.635 49.635 49.683 -0.048 17610 17607 1 19 . 1 1 89 89 ALA CB C 83 21.739 21.739 19.586 2.153 17610 17608 1 19 . 1 1 89 89 ALA H H 83 8.692 8.692 8.414 0.278 17610 17609 1 19 . 1 1 90 90 ILE N N 84 114.459 114.459 120.699 -6.240 17610 17610 1 19 . 1 1 90 90 ILE HA H 84 4.054 4.054 3.411 0.643 17610 17611 1 19 . 1 1 90 90 ILE C C 84 174.164 174.164 176.287 -2.123 17610 17612 1 19 . 1 1 90 90 ILE CA C 84 63.169 63.169 63.936 -0.767 17610 17613 1 19 . 1 1 90 90 ILE CB C 84 38.174 38.174 37.455 0.720 17610 17614 1 19 . 1 1 90 90 ILE H H 84 8.461 8.461 7.412 1.049 17610 17615 1 19 . 1 1 91 91 ASN N N 85 118.240 118.240 115.193 3.047 17610 17616 1 19 . 1 1 91 91 ASN HA H 85 5.049 5.049 4.865 0.184 17610 17617 1 19 . 1 1 91 91 ASN C C 85 174.583 174.583 175.117 -0.534 17610 17618 1 19 . 1 1 91 91 ASN CA C 85 52.161 52.161 54.099 -1.938 17610 17619 1 19 . 1 1 91 91 ASN CB C 85 38.132 38.132 38.929 -0.797 17610 17620 1 19 . 1 1 91 91 ASN H H 85 7.906 7.906 8.288 -0.382 17610 17621 1 19 . 1 1 92 92 ASN N N 86 120.345 120.345 118.935 1.410 17610 17622 1 19 . 1 1 92 92 ASN HA H 86 5.080 5.080 5.002 0.078 17610 17623 1 19 . 1 1 92 92 ASN C C 86 175.090 175.090 175.471 -0.381 17610 17624 1 19 . 1 1 92 92 ASN CA C 86 52.041 52.041 52.350 -0.309 17610 17625 1 19 . 1 1 92 92 ASN CB C 86 39.203 39.203 39.067 0.136 17610 17626 1 19 . 1 1 92 92 ASN H H 86 7.931 7.931 7.679 0.252 17610 17627 1 19 . 1 1 93 93 THR N N 87 125.665 125.665 119.633 6.032 17610 17628 1 19 . 1 1 93 93 THR HA H 87 3.772 3.772 4.099 -0.327 17610 17629 1 19 . 1 1 93 93 THR C C 87 176.012 176.012 176.095 -0.083 17610 17630 1 19 . 1 1 93 93 THR CA C 87 66.753 66.753 66.117 0.636 17610 17631 1 19 . 1 1 93 93 THR CB C 87 68.400 68.400 69.133 -0.733 17610 17632 1 19 . 1 1 93 93 THR H H 87 9.272 9.272 8.419 0.853 17610 17633 1 19 . 1 1 94 94 LYS N N 88 125.404 125.404 121.007 4.397 17610 17634 1 19 . 1 1 94 94 LYS HA H 88 4.186 4.186 4.034 0.152 17610 17635 1 19 . 1 1 94 94 LYS C C 88 178.027 178.027 178.428 -0.401 17610 17636 1 19 . 1 1 94 94 LYS CA C 88 59.359 59.359 59.709 -0.350 17610 17637 1 19 . 1 1 94 94 LYS CB C 88 31.292 31.292 31.993 -0.701 17610 17638 1 19 . 1 1 94 94 LYS H H 88 8.456 8.456 8.302 0.154 17610 17639 1 19 . 1 1 95 95 SER N N 89 115.491 115.491 115.200 0.291 17610 17640 1 19 . 1 1 95 95 SER HA H 89 4.188 4.188 4.514 -0.326 17610 17641 1 19 . 1 1 95 95 SER C C 89 175.751 175.751 176.523 -0.772 17610 17642 1 19 . 1 1 95 95 SER CA C 89 61.751 61.751 61.792 -0.041 17610 17643 1 19 . 1 1 95 95 SER CB C 89 63.530 63.530 63.131 0.399 17610 17644 1 19 . 1 1 95 95 SER H H 89 7.970 7.970 7.751 0.219 17610 17645 1 19 . 1 1 96 96 PHE N N 90 125.899 125.899 120.600 5.299 17610 17646 1 19 . 1 1 96 96 PHE HA H 90 4.037 4.037 4.190 -0.153 17610 17647 1 19 . 1 1 96 96 PHE C C 90 177.267 177.267 177.233 0.034 17610 17648 1 19 . 1 1 96 96 PHE CA C 90 59.688 59.688 60.542 -0.854 17610 17649 1 19 . 1 1 96 96 PHE CB C 90 40.175 40.175 38.900 1.275 17610 17650 1 19 . 1 1 96 96 PHE H H 90 7.419 7.419 8.042 -0.623 17610 17651 1 19 . 1 1 97 97 GLU N N 91 122.834 122.834 117.176 5.658 17610 17652 1 19 . 1 1 97 97 GLU HA H 91 3.787 3.787 4.007 -0.220 17610 17653 1 19 . 1 1 97 97 GLU C C 91 179.628 179.628 178.786 0.842 17610 17654 1 19 . 1 1 97 97 GLU CA C 91 59.004 59.004 59.485 -0.481 17610 17655 1 19 . 1 1 97 97 GLU CB C 91 29.261 29.261 29.413 -0.152 17610 17656 1 19 . 1 1 97 97 GLU H H 91 8.449 8.449 7.988 0.461 17610 17657 1 19 . 1 1 98 98 ASP N N 92 118.617 118.617 120.851 -2.234 17610 17658 1 19 . 1 1 98 98 ASP HA H 92 4.553 4.553 4.465 0.088 17610 17659 1 19 . 1 1 98 98 ASP C C 92 177.582 177.582 178.728 -1.146 17610 17660 1 19 . 1 1 98 98 ASP CA C 92 56.171 56.171 56.847 -0.676 17610 17661 1 19 . 1 1 98 98 ASP CB C 92 41.184 41.184 40.768 0.416 17610 17662 1 19 . 1 1 98 98 ASP H H 92 8.492 8.492 7.819 0.673 17610 17663 1 19 . 1 1 99 99 ILE N N 93 121.939 121.939 119.406 2.533 17610 17664 1 19 . 1 1 99 99 ILE HA H 93 3.954 3.954 3.848 0.106 17610 17665 1 19 . 1 1 99 99 ILE C C 93 177.442 177.442 178.151 -0.709 17610 17666 1 19 . 1 1 99 99 ILE CA C 93 62.370 62.370 64.462 -2.092 17610 17667 1 19 . 1 1 99 99 ILE CB C 93 34.570 34.570 36.788 -2.218 17610 17668 1 19 . 1 1 99 99 ILE H H 93 7.583 7.583 8.727 -1.144 17610 17669 1 19 . 1 1 100 100 HIS N N 94 118.387 118.387 118.625 -0.238 17610 17670 1 19 . 1 1 100 100 HIS HA H 94 4.273 4.273 4.293 -0.020 17610 17671 1 19 . 1 1 100 100 HIS C C 94 177.345 177.345 177.124 0.221 17610 17672 1 19 . 1 1 100 100 HIS CA C 94 60.090 60.090 59.084 1.006 17610 17673 1 19 . 1 1 100 100 HIS CB C 94 30.512 30.512 30.276 0.236 17610 17674 1 19 . 1 1 100 100 HIS H H 94 7.799 7.799 7.534 0.265 17610 17675 1 19 . 1 1 101 101 GLN N N 95 117.673 117.673 119.509 -1.836 17610 17676 1 19 . 1 1 101 101 GLN HA H 95 3.941 3.941 3.877 0.064 17610 17677 1 19 . 1 1 101 101 GLN C C 95 179.155 179.155 178.378 0.777 17610 17678 1 19 . 1 1 101 101 GLN CA C 95 58.371 58.371 59.240 -0.869 17610 17679 1 19 . 1 1 101 101 GLN CB C 95 27.807 27.807 28.584 -0.777 17610 17680 1 19 . 1 1 101 101 GLN H H 95 7.468 7.468 7.516 -0.048 17610 17681 1 19 . 1 1 102 102 TYR N N 96 120.407 120.407 117.792 2.615 17610 17682 1 19 . 1 1 102 102 TYR HA H 96 4.064 4.064 4.244 -0.180 17610 17683 1 19 . 1 1 102 102 TYR C C 96 177.660 177.660 178.143 -0.483 17610 17684 1 19 . 1 1 102 102 TYR CA C 96 62.847 62.847 61.345 1.502 17610 17685 1 19 . 1 1 102 102 TYR CB C 96 37.795 37.795 37.912 -0.117 17610 17686 1 19 . 1 1 102 102 TYR H H 96 7.600 7.600 8.565 -0.965 17610 17687 1 19 . 1 1 103 103 ARG N N 97 119.974 119.974 119.897 0.077 17610 17688 1 19 . 1 1 103 103 ARG HA H 97 3.616 3.616 3.682 -0.066 17610 17689 1 19 . 1 1 103 103 ARG C C 97 177.618 177.618 178.071 -0.453 17610 17690 1 19 . 1 1 103 103 ARG CA C 97 59.938 59.938 59.495 0.443 17610 17691 1 19 . 1 1 103 103 ARG CB C 97 28.599 28.599 29.411 -0.812 17610 17692 1 19 . 1 1 103 103 ARG H H 97 8.395 8.395 7.395 1.000 17610 17693 1 19 . 1 1 104 104 GLU N N 98 118.351 118.351 117.587 0.764 17610 17694 1 19 . 1 1 104 104 GLU HA H 98 3.781 3.781 3.843 -0.062 17610 17695 1 19 . 1 1 104 104 GLU C C 98 178.982 178.982 178.916 0.066 17610 17696 1 19 . 1 1 104 104 GLU CA C 98 58.900 58.900 59.739 -0.839 17610 17697 1 19 . 1 1 104 104 GLU CB C 98 29.435 29.435 29.079 0.356 17610 17698 1 19 . 1 1 104 104 GLU H H 98 7.970 7.970 7.576 0.394 17610 17699 1 19 . 1 1 105 105 GLN N N 99 121.350 121.350 118.488 2.862 17610 17700 1 19 . 1 1 105 105 GLN HA H 99 3.946 3.946 4.083 -0.137 17610 17701 1 19 . 1 1 105 105 GLN C C 99 177.701 177.701 178.572 -0.871 17610 17702 1 19 . 1 1 105 105 GLN CA C 99 59.037 59.037 58.363 0.674 17610 17703 1 19 . 1 1 105 105 GLN CB C 99 27.938 27.938 28.605 -0.667 17610 17704 1 19 . 1 1 105 105 GLN H H 99 7.907 7.907 7.324 0.583 17610 17705 1 19 . 1 1 106 106 ILE N N 100 121.310 121.310 121.088 0.222 17610 17706 1 19 . 1 1 106 106 ILE HA H 100 3.177 3.177 3.409 -0.232 17610 17707 1 19 . 1 1 106 106 ILE C C 100 177.199 177.199 177.566 -0.367 17610 17708 1 19 . 1 1 106 106 ILE CA C 100 65.682 65.682 65.852 -0.170 17610 17709 1 19 . 1 1 106 106 ILE CB C 100 37.874 37.874 37.429 0.445 17610 17710 1 19 . 1 1 106 106 ILE H H 100 7.920 7.920 7.728 0.192 17610 17711 1 19 . 1 1 107 107 LYS N N 101 118.584 118.584 118.839 -0.255 17610 17712 1 19 . 1 1 107 107 LYS HA H 101 3.951 3.951 4.249 -0.298 17610 17713 1 19 . 1 1 107 107 LYS C C 101 179.476 179.476 179.608 -0.132 17610 17714 1 19 . 1 1 107 107 LYS CA C 101 59.571 59.571 58.638 0.933 17610 17715 1 19 . 1 1 107 107 LYS CB C 101 32.227 32.227 31.512 0.715 17610 17716 1 19 . 1 1 107 107 LYS H H 101 7.782 7.782 7.704 0.078 17610 17717 1 19 . 1 1 108 108 ARG N N 102 119.152 119.152 118.851 0.301 17610 17718 1 19 . 1 1 108 108 ARG HA H 102 4.082 4.082 4.097 -0.015 17610 17719 1 19 . 1 1 108 108 ARG C C 102 179.582 179.582 178.664 0.918 17610 17720 1 19 . 1 1 108 108 ARG CA C 102 58.946 58.946 58.870 0.076 17610 17721 1 19 . 1 1 108 108 ARG CB C 102 30.097 30.097 30.193 -0.096 17610 17722 1 19 . 1 1 108 108 ARG H H 102 7.777 7.777 7.407 0.370 17610 17723 1 19 . 1 1 109 109 VAL N N 103 119.544 119.544 118.042 1.502 17610 17724 1 19 . 1 1 109 109 VAL HA H 103 3.837 3.837 3.786 0.051 17610 17725 1 19 . 1 1 109 109 VAL C C 103 177.919 177.919 177.190 0.729 17610 17726 1 19 . 1 1 109 109 VAL CA C 103 65.393 65.393 65.643 -0.250 17610 17727 1 19 . 1 1 109 109 VAL CB C 103 31.599 31.599 31.976 -0.377 17610 17728 1 19 . 1 1 109 109 VAL H H 103 8.282 8.282 7.958 0.324 17610 17729 1 19 . 1 1 110 110 LYS N N 104 117.592 117.592 115.305 2.287 17610 17730 1 19 . 1 1 110 110 LYS HA H 104 4.269 4.269 4.453 -0.184 17610 17731 1 19 . 1 1 110 110 LYS C C 104 175.878 175.878 176.257 -0.379 17610 17732 1 19 . 1 1 110 110 LYS CA C 104 54.797 54.797 54.739 0.058 17610 17733 1 19 . 1 1 110 110 LYS CB C 104 30.687 30.687 32.594 -1.907 17610 17734 1 19 . 1 1 110 110 LYS H H 104 8.117 8.117 7.637 0.480 17610 17735 1 19 . 1 1 111 111 ASP N N 105 122.118 122.118 120.538 1.580 17610 17736 1 19 . 1 1 111 111 ASP HA H 105 4.306 4.306 4.329 -0.023 17610 17737 1 19 . 1 1 111 111 ASP C C 105 174.496 174.496 174.748 -0.252 17610 17738 1 19 . 1 1 111 111 ASP CA C 105 54.442 54.442 55.421 -0.979 17610 17739 1 19 . 1 1 111 111 ASP CB C 105 39.792 39.792 39.496 0.296 17610 17740 1 19 . 1 1 111 111 ASP H H 105 7.958 7.958 7.843 0.115 17610 17741 1 19 . 1 1 112 112 SER N N 106 110.372 110.372 113.773 -3.401 17610 17742 1 19 . 1 1 112 112 SER HA H 106 4.565 4.565 4.521 0.044 17610 17743 1 19 . 1 1 112 112 SER C C 106 172.985 172.985 173.431 -0.446 17610 17744 1 19 . 1 1 112 112 SER CA C 106 56.779 56.779 57.972 -1.193 17610 17745 1 19 . 1 1 112 112 SER CB C 106 65.259 65.259 64.876 0.383 17610 17746 1 19 . 1 1 112 112 SER H H 106 7.539 7.539 7.954 -0.415 17610 17747 1 19 . 1 1 113 113 ASP N N 107 123.301 123.301 123.255 0.046 17610 17748 1 19 . 1 1 113 113 ASP HA H 107 4.665 4.665 4.478 0.187 17610 17749 1 19 . 1 1 113 113 ASP C C 107 176.066 176.066 175.816 0.250 17610 17750 1 19 . 1 1 113 113 ASP CA C 107 54.267 54.267 56.265 -1.998 17610 17751 1 19 . 1 1 113 113 ASP CB C 107 41.837 41.837 41.205 0.632 17610 17752 1 19 . 1 1 113 113 ASP H H 107 8.385 8.385 8.628 -0.243 17610 17753 1 19 . 1 1 114 114 ASP N N 108 122.347 122.347 121.377 0.970 17610 17754 1 19 . 1 1 114 114 ASP HA H 108 4.882 4.882 4.597 0.285 17610 17755 1 19 . 1 1 114 114 ASP C C 108 174.386 174.386 175.140 -0.754 17610 17756 1 19 . 1 1 114 114 ASP CA C 108 53.143 53.143 53.829 -0.686 17610 17757 1 19 . 1 1 114 114 ASP CB C 108 41.323 41.323 39.764 1.558 17610 17758 1 19 . 1 1 114 114 ASP H H 108 8.404 8.404 8.455 -0.051 17610 17759 1 19 . 1 1 115 115 VAL N N 109 123.609 123.609 119.179 4.430 17610 17760 1 19 . 1 1 115 115 VAL HA H 109 4.337 4.337 4.776 -0.439 17610 17761 1 19 . 1 1 115 115 VAL CA C 109 58.984 58.984 57.716 1.268 17610 17762 1 19 . 1 1 115 115 VAL CB C 109 34.932 34.932 33.574 1.358 17610 17763 1 19 . 1 1 115 115 VAL H H 109 7.649 7.649 7.640 0.009 17610 17764 1 19 . 1 1 116 116 PRO HA H 110 4.430 4.430 4.562 -0.132 17610 17765 1 19 . 1 1 116 116 PRO C C 110 175.942 175.942 175.682 0.260 17610 17766 1 19 . 1 1 116 116 PRO CA C 110 63.872 63.872 63.390 0.482 17610 17767 1 19 . 1 1 116 116 PRO CB C 110 32.120 32.120 30.875 1.245 17610 17768 1 19 . 1 1 117 117 MET N N 111 124.020 124.020 119.961 4.059 17610 17769 1 19 . 1 1 117 117 MET HA H 111 5.777 5.777 5.521 0.256 17610 17770 1 19 . 1 1 117 117 MET C C 111 173.737 173.737 174.422 -0.685 17610 17771 1 19 . 1 1 117 117 MET CA C 111 55.094 55.094 54.538 0.556 17610 17772 1 19 . 1 1 117 117 MET CB C 111 37.889 37.889 37.069 0.820 17610 17773 1 19 . 1 1 117 117 MET H H 111 8.274 8.274 7.779 0.495 17610 17774 1 19 . 1 1 118 118 VAL N N 112 118.747 118.747 116.276 2.471 17610 17775 1 19 . 1 1 118 118 VAL HA H 112 4.341 4.341 4.517 -0.176 17610 17776 1 19 . 1 1 118 118 VAL C C 112 173.171 173.171 173.385 -0.214 17610 17777 1 19 . 1 1 118 118 VAL CA C 112 60.943 60.943 61.045 -0.102 17610 17778 1 19 . 1 1 118 118 VAL CB C 112 37.030 37.030 36.948 0.082 17610 17779 1 19 . 1 1 118 118 VAL H H 112 8.119 8.119 9.012 -0.893 17610 17780 1 19 . 1 1 119 119 LEU N N 113 129.931 129.931 126.753 3.178 17610 17781 1 19 . 1 1 119 119 LEU HA H 113 5.157 5.157 5.102 0.055 17610 17782 1 19 . 1 1 119 119 LEU C C 113 173.496 173.496 174.833 -1.337 17610 17783 1 19 . 1 1 119 119 LEU CA C 113 53.828 53.828 53.551 0.277 17610 17784 1 19 . 1 1 119 119 LEU CB C 113 43.876 43.876 43.405 0.471 17610 17785 1 19 . 1 1 119 119 LEU H H 113 8.918 8.918 8.051 0.867 17610 17786 1 19 . 1 1 120 120 VAL N N 114 129.371 129.371 126.347 3.024 17610 17787 1 19 . 1 1 120 120 VAL HA H 114 5.117 5.117 5.090 0.027 17610 17788 1 19 . 1 1 120 120 VAL C C 114 173.667 173.667 175.633 -1.966 17610 17789 1 19 . 1 1 120 120 VAL CA C 114 60.124 60.124 60.382 -0.258 17610 17790 1 19 . 1 1 120 120 VAL CB C 114 35.225 35.225 33.859 1.366 17610 17791 1 19 . 1 1 120 120 VAL H H 114 9.173 9.173 8.862 0.311 17610 17792 1 19 . 1 1 121 121 GLY N N 115 115.789 115.789 111.504 4.285 17610 17793 1 19 . 1 1 121 121 GLY C C 115 171.603 171.603 173.521 -1.918 17610 17794 1 19 . 1 1 121 121 GLY CA C 115 45.256 45.256 44.008 1.248 17610 17795 1 19 . 1 1 121 121 GLY H H 115 8.046 8.046 8.799 -0.753 17610 17796 1 19 . 1 1 122 122 ASN N N 116 122.349 122.349 123.877 -1.528 17610 17797 1 19 . 1 1 122 122 ASN HA H 116 5.620 5.620 4.747 0.873 17610 17798 1 19 . 1 1 122 122 ASN C C 116 174.732 174.732 175.019 -0.287 17610 17799 1 19 . 1 1 122 122 ASN CA C 116 51.492 51.492 52.510 -1.018 17610 17800 1 19 . 1 1 122 122 ASN CB C 116 41.323 41.323 40.159 1.164 17610 17801 1 19 . 1 1 122 122 ASN H H 116 8.756 8.756 7.967 0.789 17610 17802 1 19 . 1 1 123 123 LYS N N 117 113.297 113.297 115.222 -1.925 17610 17803 1 19 . 1 1 123 123 LYS HA H 117 4.280 4.280 3.972 0.308 17610 17804 1 19 . 1 1 123 123 LYS C C 117 177.324 177.324 175.117 2.207 17610 17805 1 19 . 1 1 123 123 LYS CA C 117 57.273 57.273 57.410 -0.137 17610 17806 1 19 . 1 1 123 123 LYS CB C 117 29.775 29.775 30.306 -0.531 17610 17807 1 19 . 1 1 123 123 LYS H H 117 7.342 7.342 8.797 -1.455 17610 17808 1 19 . 1 1 124 124 CYS N N 118 115.340 115.340 117.619 -2.279 17610 17809 1 19 . 1 1 124 124 CYS HA H 118 4.292 4.292 4.449 -0.157 17610 17810 1 19 . 1 1 124 124 CYS C C 118 173.325 173.325 175.512 -2.187 17610 17811 1 19 . 1 1 124 124 CYS CA C 118 60.698 60.698 58.888 1.810 17610 17812 1 19 . 1 1 124 124 CYS CB C 118 26.387 26.387 28.653 -2.266 17610 17813 1 19 . 1 1 124 124 CYS H H 118 8.763 8.763 8.586 0.177 17610 17814 1 19 . 1 1 125 125 ASP N N 119 118.603 118.603 120.681 -2.078 17610 17815 1 19 . 1 1 125 125 ASP HA H 119 4.476 4.476 4.428 0.048 17610 17816 1 19 . 1 1 125 125 ASP C C 119 175.464 175.464 176.426 -0.962 17610 17817 1 19 . 1 1 125 125 ASP CA C 119 53.951 53.951 56.207 -2.256 17610 17818 1 19 . 1 1 125 125 ASP CB C 119 41.323 41.323 40.879 0.444 17610 17819 1 19 . 1 1 125 125 ASP H H 119 8.613 8.613 8.494 0.119 17610 17820 1 19 . 1 1 126 126 LEU N N 120 122.098 122.098 117.933 4.165 17610 17821 1 19 . 1 1 126 126 LEU HA H 120 4.241 4.241 4.262 -0.021 17610 17822 1 19 . 1 1 126 126 LEU C C 120 176.420 176.420 176.381 0.039 17610 17823 1 19 . 1 1 126 126 LEU CA C 120 54.723 54.723 55.073 -0.350 17610 17824 1 19 . 1 1 126 126 LEU CB C 120 41.837 41.837 42.148 -0.310 17610 17825 1 19 . 1 1 126 126 LEU H H 120 7.802 7.802 7.831 -0.029 17610 17826 1 19 . 1 1 127 127 ALA N N 121 123.959 123.959 121.375 2.584 17610 17827 1 19 . 1 1 127 127 ALA HA H 121 4.214 4.214 4.520 -0.306 17610 17828 1 19 . 1 1 127 127 ALA C C 121 178.717 178.717 176.840 1.877 17610 17829 1 19 . 1 1 127 127 ALA CA C 121 53.179 53.179 51.863 1.316 17610 17830 1 19 . 1 1 127 127 ALA CB C 121 18.871 18.871 19.304 -0.433 17610 17831 1 19 . 1 1 127 127 ALA H H 121 8.160 8.160 8.197 -0.037 17610 17832 1 19 . 1 1 128 128 ALA N N 122 123.078 123.078 122.421 0.657 17610 17833 1 19 . 1 1 128 128 ALA HA H 122 4.524 4.524 4.609 -0.085 17610 17834 1 19 . 1 1 128 128 ALA C C 122 175.272 175.272 176.380 -1.108 17610 17835 1 19 . 1 1 128 128 ALA CA C 122 51.259 51.259 51.032 0.227 17610 17836 1 19 . 1 1 128 128 ALA CB C 122 17.623 17.623 18.806 -1.183 17610 17837 1 19 . 1 1 128 128 ALA H H 122 7.698 7.698 7.938 -0.240 17610 17838 1 19 . 1 1 129 129 ARG N N 123 121.454 121.454 120.952 0.502 17610 17839 1 19 . 1 1 129 129 ARG HA H 123 4.093 4.093 4.405 -0.312 17610 17840 1 19 . 1 1 129 129 ARG C C 123 176.271 176.271 176.505 -0.234 17610 17841 1 19 . 1 1 129 129 ARG CA C 123 55.596 55.596 55.540 0.056 17610 17842 1 19 . 1 1 129 129 ARG CB C 123 32.696 32.696 29.039 3.657 17610 17843 1 19 . 1 1 129 129 ARG H H 123 7.992 7.992 7.871 0.121 17610 17844 1 19 . 1 1 130 130 THR N N 124 115.617 115.617 113.995 1.622 17610 17845 1 19 . 1 1 130 130 THR HA H 124 4.564 4.564 4.137 0.427 17610 17846 1 19 . 1 1 130 130 THR C C 124 174.119 174.119 175.234 -1.115 17610 17847 1 19 . 1 1 130 130 THR CA C 124 61.746 61.746 64.429 -2.683 17610 17848 1 19 . 1 1 130 130 THR CB C 124 69.094 69.094 69.172 -0.078 17610 17849 1 19 . 1 1 130 130 THR H H 124 9.145 9.145 8.219 0.926 17610 17850 1 19 . 1 1 131 131 VAL N N 125 125.688 125.688 123.932 1.756 17610 17851 1 19 . 1 1 131 131 VAL HA H 125 4.015 4.015 4.117 -0.102 17610 17852 1 19 . 1 1 131 131 VAL C C 125 175.658 175.658 174.782 0.876 17610 17853 1 19 . 1 1 131 131 VAL CA C 125 61.373 61.373 61.416 -0.043 17610 17854 1 19 . 1 1 131 131 VAL CB C 125 33.147 33.147 32.266 0.881 17610 17855 1 19 . 1 1 131 131 VAL H H 125 7.618 7.618 7.655 -0.037 17610 17856 1 19 . 1 1 132 132 GLU N N 126 128.319 128.319 127.383 0.936 17610 17857 1 19 . 1 1 132 132 GLU HA H 126 4.228 4.228 4.189 0.039 17610 17858 1 19 . 1 1 132 132 GLU C C 126 177.986 177.986 177.564 0.422 17610 17859 1 19 . 1 1 132 132 GLU CA C 126 56.323 56.323 56.126 0.197 17610 17860 1 19 . 1 1 132 132 GLU CB C 126 30.158 30.158 30.063 0.095 17610 17861 1 19 . 1 1 132 132 GLU H H 126 8.727 8.727 8.498 0.229 17610 17862 1 19 . 1 1 133 133 SER N N 127 122.970 122.970 115.917 7.053 17610 17863 1 19 . 1 1 133 133 SER HA H 127 4.074 4.074 4.255 -0.181 17610 17864 1 19 . 1 1 133 133 SER C C 127 176.633 176.633 176.287 0.346 17610 17865 1 19 . 1 1 133 133 SER CA C 127 62.598 62.598 62.013 0.585 17610 17866 1 19 . 1 1 133 133 SER CB C 127 62.511 62.511 63.230 -0.719 17610 17867 1 19 . 1 1 133 133 SER H H 127 9.421 9.421 8.793 0.628 17610 17868 1 19 . 1 1 134 134 ARG N N 128 119.141 119.141 122.107 -2.966 17610 17869 1 19 . 1 1 134 134 ARG HA H 128 4.028 4.028 4.085 -0.057 17610 17870 1 19 . 1 1 134 134 ARG C C 128 177.739 177.739 178.381 -0.642 17610 17871 1 19 . 1 1 134 134 ARG CA C 128 58.785 58.785 58.973 -0.188 17610 17872 1 19 . 1 1 134 134 ARG CB C 128 29.752 29.752 29.250 0.502 17610 17873 1 19 . 1 1 134 134 ARG H H 128 8.675 8.675 8.465 0.210 17610 17874 1 19 . 1 1 135 135 GLN N N 129 118.050 118.050 117.464 0.586 17610 17875 1 19 . 1 1 135 135 GLN HA H 129 4.091 4.091 4.025 0.066 17610 17876 1 19 . 1 1 135 135 GLN C C 129 179.009 179.009 177.842 1.167 17610 17877 1 19 . 1 1 135 135 GLN CA C 129 58.389 58.389 59.211 -0.822 17610 17878 1 19 . 1 1 135 135 GLN CB C 129 28.916 28.916 28.289 0.627 17610 17879 1 19 . 1 1 135 135 GLN H H 129 6.796 6.796 8.488 -1.692 17610 17880 1 19 . 1 1 136 136 ALA N N 130 124.769 124.769 121.886 2.883 17610 17881 1 19 . 1 1 136 136 ALA HA H 130 3.933 3.933 3.717 0.216 17610 17882 1 19 . 1 1 136 136 ALA C C 130 178.155 178.155 179.627 -1.472 17610 17883 1 19 . 1 1 136 136 ALA CA C 130 54.760 54.760 54.886 -0.127 17610 17884 1 19 . 1 1 136 136 ALA CB C 130 18.546 18.546 17.758 0.788 17610 17885 1 19 . 1 1 136 136 ALA H H 130 7.017 7.017 7.417 -0.400 17610 17886 1 19 . 1 1 137 137 GLN N N 131 119.215 119.215 117.436 1.779 17610 17887 1 19 . 1 1 137 137 GLN HA H 131 3.720 3.720 3.810 -0.090 17610 17888 1 19 . 1 1 137 137 GLN C C 131 179.387 179.387 178.122 1.265 17610 17889 1 19 . 1 1 137 137 GLN CA C 131 58.815 58.815 59.538 -0.723 17610 17890 1 19 . 1 1 137 137 GLN CB C 131 28.503 28.503 28.506 -0.003 17610 17891 1 19 . 1 1 137 137 GLN H H 131 8.602 8.602 8.549 0.053 17610 17892 1 19 . 1 1 138 138 ASP N N 132 121.298 121.298 120.677 0.621 17610 17893 1 19 . 1 1 138 138 ASP HA H 132 4.371 4.371 4.346 0.025 17610 17894 1 19 . 1 1 138 138 ASP C C 132 178.855 178.855 178.634 0.221 17610 17895 1 19 . 1 1 138 138 ASP CA C 132 57.425 57.425 57.077 0.348 17610 17896 1 19 . 1 1 138 138 ASP CB C 132 40.860 40.860 40.725 0.135 17610 17897 1 19 . 1 1 138 138 ASP H H 132 8.203 8.203 8.120 0.083 17610 17898 1 19 . 1 1 139 139 LEU N N 133 124.786 124.786 120.908 3.878 17610 17899 1 19 . 1 1 139 139 LEU HA H 133 3.888 3.888 3.916 -0.028 17610 17900 1 19 . 1 1 139 139 LEU C C 133 178.953 178.953 177.959 0.994 17610 17901 1 19 . 1 1 139 139 LEU CA C 133 57.827 57.827 57.460 0.367 17610 17902 1 19 . 1 1 139 139 LEU CB C 133 41.837 41.837 41.713 0.124 17610 17903 1 19 . 1 1 139 139 LEU H H 133 7.485 7.485 7.335 0.150 17610 17904 1 19 . 1 1 140 140 ALA N N 134 123.038 123.038 121.602 1.436 17610 17905 1 19 . 1 1 140 140 ALA HA H 134 3.783 3.783 3.984 -0.201 17610 17906 1 19 . 1 1 140 140 ALA C C 134 179.902 179.902 179.209 0.693 17610 17907 1 19 . 1 1 140 140 ALA CA C 134 55.832 55.832 55.425 0.407 17610 17908 1 19 . 1 1 140 140 ALA CB C 134 18.120 18.120 18.356 -0.236 17610 17909 1 19 . 1 1 140 140 ALA H H 134 8.426 8.426 7.957 0.469 17610 17910 1 19 . 1 1 141 141 ARG N N 135 119.537 119.537 117.539 1.998 17610 17911 1 19 . 1 1 141 141 ARG HA H 135 4.194 4.194 4.017 0.177 17610 17912 1 19 . 1 1 141 141 ARG C C 135 180.037 180.037 178.468 1.569 17610 17913 1 19 . 1 1 141 141 ARG CA C 135 59.331 59.331 59.095 0.236 17610 17914 1 19 . 1 1 141 141 ARG CB C 135 29.864 29.864 30.178 -0.314 17610 17915 1 19 . 1 1 141 141 ARG H H 135 8.459 8.459 8.598 -0.139 17610 17916 1 19 . 1 1 142 142 SER N N 136 118.958 118.958 113.202 5.756 17610 17917 1 19 . 1 1 142 142 SER HA H 136 4.277 4.277 4.203 0.074 17610 17918 1 19 . 1 1 142 142 SER C C 136 176.127 176.127 175.404 0.723 17610 17919 1 19 . 1 1 142 142 SER CA C 136 61.509 61.509 60.264 1.245 17610 17920 1 19 . 1 1 142 142 SER CB C 136 62.529 62.529 62.816 -0.287 17610 17921 1 19 . 1 1 142 142 SER H H 136 7.944 7.944 7.332 0.612 17610 17922 1 19 . 1 1 143 143 TYR N N 137 121.309 121.309 119.087 2.222 17610 17923 1 19 . 1 1 143 143 TYR HA H 137 4.907 4.907 4.545 0.362 17610 17924 1 19 . 1 1 143 143 TYR C C 137 176.279 176.279 176.470 -0.191 17610 17925 1 19 . 1 1 143 143 TYR CA C 137 54.737 54.737 57.058 -2.321 17610 17926 1 19 . 1 1 143 143 TYR CB C 137 38.830 38.830 38.710 0.120 17610 17927 1 19 . 1 1 143 143 TYR H H 137 7.623 7.623 7.153 0.470 17610 17928 1 19 . 1 1 144 144 GLY N N 138 112.193 112.193 107.531 4.662 17610 17929 1 19 . 1 1 144 144 GLY C C 138 175.077 175.077 174.387 0.690 17610 17930 1 19 . 1 1 144 144 GLY CA C 138 46.439 46.439 45.546 0.893 17610 17931 1 19 . 1 1 144 144 GLY H H 138 8.328 8.328 7.544 0.784 17610 17932 1 19 . 1 1 145 145 ILE N N 139 114.227 114.227 116.190 -1.963 17610 17933 1 19 . 1 1 145 145 ILE HA H 139 5.241 5.241 4.717 0.524 17610 17934 1 19 . 1 1 145 145 ILE CA C 139 58.420 58.420 57.813 0.607 17610 17935 1 19 . 1 1 145 145 ILE CB C 139 38.543 38.543 39.073 -0.530 17610 17936 1 19 . 1 1 145 145 ILE H H 139 8.059 8.059 7.542 0.517 17610 17937 1 19 . 1 1 146 146 PRO HA H 140 4.627 4.627 4.498 0.129 17610 17938 1 19 . 1 1 146 146 PRO C C 140 174.570 174.570 175.301 -0.731 17610 17939 1 19 . 1 1 146 146 PRO CA C 140 62.362 62.362 62.308 0.054 17610 17940 1 19 . 1 1 146 146 PRO CB C 140 33.057 33.057 32.508 0.549 17610 17941 1 19 . 1 1 147 147 TYR N N 141 121.135 121.135 123.138 -2.003 17610 17942 1 19 . 1 1 147 147 TYR HA H 141 5.997 5.997 5.366 0.631 17610 17943 1 19 . 1 1 147 147 TYR C C 141 174.492 174.492 174.645 -0.153 17610 17944 1 19 . 1 1 147 147 TYR CA C 141 54.912 54.912 55.742 -0.830 17610 17945 1 19 . 1 1 147 147 TYR CB C 141 40.972 40.972 39.341 1.631 17610 17946 1 19 . 1 1 147 147 TYR H H 141 8.252 8.252 8.420 -0.168 17610 17947 1 19 . 1 1 148 148 ILE N N 142 131.362 131.362 128.585 2.777 17610 17948 1 19 . 1 1 148 148 ILE HA H 142 3.948 3.948 4.194 -0.246 17610 17949 1 19 . 1 1 148 148 ILE C C 142 172.977 172.977 174.468 -1.491 17610 17950 1 19 . 1 1 148 148 ILE CA C 142 59.383 59.383 59.782 -0.399 17610 17951 1 19 . 1 1 148 148 ILE CB C 142 42.260 42.260 40.769 1.491 17610 17952 1 19 . 1 1 148 148 ILE H H 142 8.495 8.495 7.952 0.543 17610 17953 1 19 . 1 1 149 149 GLU N N 143 125.874 125.874 123.160 2.714 17610 17954 1 19 . 1 1 149 149 GLU HA H 143 4.788 4.788 4.666 0.122 17610 17955 1 19 . 1 1 149 149 GLU C C 143 176.128 176.128 175.417 0.711 17610 17956 1 19 . 1 1 149 149 GLU CA C 143 55.647 55.647 55.166 0.481 17610 17957 1 19 . 1 1 149 149 GLU CB C 143 29.727 29.727 31.829 -2.103 17610 17958 1 19 . 1 1 149 149 GLU H H 143 7.827 7.827 8.461 -0.634 17610 17959 1 19 . 1 1 150 150 THR N N 144 113.629 113.629 113.812 -0.183 17610 17960 1 19 . 1 1 150 150 THR HA H 144 5.081 5.081 5.365 -0.284 17610 17961 1 19 . 1 1 150 150 THR C C 144 176.136 176.136 173.335 2.801 17610 17962 1 19 . 1 1 150 150 THR CA C 144 59.464 59.464 59.379 0.085 17610 17963 1 19 . 1 1 150 150 THR CB C 144 73.639 73.639 71.565 2.074 17610 17964 1 19 . 1 1 150 150 THR H H 144 8.800 8.800 8.233 0.567 17610 17965 1 19 . 1 1 151 151 SER N N 145 113.706 113.706 113.664 0.042 17610 17966 1 19 . 1 1 151 151 SER HA H 145 4.883 4.883 5.114 -0.231 17610 17967 1 19 . 1 1 151 151 SER C C 145 175.707 175.707 173.402 2.305 17610 17968 1 19 . 1 1 151 151 SER CA C 145 57.438 57.438 57.421 0.017 17610 17969 1 19 . 1 1 151 151 SER CB C 145 64.470 64.470 65.912 -1.442 17610 17970 1 19 . 1 1 151 151 SER H H 145 8.807 8.807 8.029 0.778 17610 17971 1 19 . 1 1 152 152 ALA N N 146 133.500 133.500 128.229 5.271 17610 17972 1 19 . 1 1 152 152 ALA HA H 146 3.890 3.890 3.932 -0.042 17610 17973 1 19 . 1 1 152 152 ALA C C 146 175.632 175.632 177.353 -1.721 17610 17974 1 19 . 1 1 152 152 ALA CA C 146 54.416 54.416 54.115 0.301 17610 17975 1 19 . 1 1 152 152 ALA CB C 146 18.605 18.605 18.561 0.044 17610 17976 1 19 . 1 1 152 152 ALA H H 146 9.134 9.134 8.617 0.517 17610 17977 1 19 . 1 1 153 153 LYS N N 147 117.223 117.223 117.273 -0.050 17610 17978 1 19 . 1 1 153 153 LYS HA H 147 2.616 2.616 4.311 -1.695 17610 17979 1 19 . 1 1 153 153 LYS C C 147 177.045 177.045 177.319 -0.274 17610 17980 1 19 . 1 1 153 153 LYS CA C 147 58.119 58.119 58.342 -0.223 17610 17981 1 19 . 1 1 153 153 LYS CB C 147 33.956 33.956 32.720 1.236 17610 17982 1 19 . 1 1 153 153 LYS H H 147 7.042 7.042 8.447 -1.405 17610 17983 1 19 . 1 1 154 154 THR N N 148 107.404 107.404 108.388 -0.984 17610 17984 1 19 . 1 1 154 154 THR HA H 148 4.157 4.157 4.306 -0.149 17610 17985 1 19 . 1 1 154 154 THR C C 148 175.979 175.979 174.734 1.245 17610 17986 1 19 . 1 1 154 154 THR CA C 148 61.489 61.489 62.117 -0.628 17610 17987 1 19 . 1 1 154 154 THR CB C 148 69.911 69.911 69.316 0.595 17610 17988 1 19 . 1 1 154 154 THR H H 148 7.721 7.721 7.988 -0.267 17610 17989 1 19 . 1 1 155 155 ARG N N 149 119.268 119.268 120.741 -1.473 17610 17990 1 19 . 1 1 155 155 ARG HA H 149 3.476 3.476 3.940 -0.464 17610 17991 1 19 . 1 1 155 155 ARG C C 149 175.481 175.481 174.079 1.402 17610 17992 1 19 . 1 1 155 155 ARG CA C 149 59.653 59.653 56.932 2.721 17610 17993 1 19 . 1 1 155 155 ARG CB C 149 30.445 30.445 28.096 2.349 17610 17994 1 19 . 1 1 155 155 ARG H H 149 7.814 7.814 7.981 -0.167 17610 17995 1 19 . 1 1 156 156 GLN N N 150 125.391 125.391 122.208 3.183 17610 17996 1 19 . 1 1 156 156 GLN HA H 150 4.065 4.065 4.487 -0.422 17610 17997 1 19 . 1 1 156 156 GLN C C 150 177.007 177.007 175.892 1.115 17610 17998 1 19 . 1 1 156 156 GLN CA C 150 57.433 57.433 55.019 2.414 17610 17999 1 19 . 1 1 156 156 GLN CB C 150 28.472 28.472 31.162 -2.689 17610 18000 1 19 . 1 1 156 156 GLN H H 150 7.833 7.833 7.654 0.179 17610 18001 1 19 . 1 1 157 157 GLY N N 151 116.380 116.380 114.449 1.931 17610 18002 1 19 . 1 1 157 157 GLY C C 151 173.581 173.581 174.855 -1.274 17610 18003 1 19 . 1 1 157 157 GLY CA C 151 46.945 46.945 46.575 0.370 17610 18004 1 19 . 1 1 157 157 GLY H H 151 8.936 8.936 9.035 -0.099 17610 18005 1 19 . 1 1 158 158 VAL N N 152 121.822 121.822 119.671 2.151 17610 18006 1 19 . 1 1 158 158 VAL HA H 152 3.221 3.221 3.595 -0.374 17610 18007 1 19 . 1 1 158 158 VAL C C 152 177.006 177.006 177.888 -0.882 17610 18008 1 19 . 1 1 158 158 VAL CA C 152 68.314 68.314 65.510 2.804 17610 18009 1 19 . 1 1 158 158 VAL CB C 152 31.473 31.473 31.735 -0.262 17610 18010 1 19 . 1 1 158 158 VAL H H 152 7.099 7.099 8.069 -0.970 17610 18011 1 19 . 1 1 159 159 GLU N N 153 118.087 118.087 117.887 0.200 17610 18012 1 19 . 1 1 159 159 GLU HA H 153 3.305 3.305 3.876 -0.571 17610 18013 1 19 . 1 1 159 159 GLU C C 153 177.163 177.163 178.267 -1.104 17610 18014 1 19 . 1 1 159 159 GLU CA C 153 60.407 60.407 59.588 0.819 17610 18015 1 19 . 1 1 159 159 GLU CB C 153 28.787 28.787 28.738 0.049 17610 18016 1 19 . 1 1 159 159 GLU H H 153 8.271 8.271 8.802 -0.531 17610 18017 1 19 . 1 1 160 160 ASP N N 154 117.624 117.624 120.837 -3.213 17610 18018 1 19 . 1 1 160 160 ASP HA H 154 4.205 4.205 4.561 -0.356 17610 18019 1 19 . 1 1 160 160 ASP C C 154 179.366 179.366 178.252 1.114 17610 18020 1 19 . 1 1 160 160 ASP CA C 154 57.288 57.288 57.093 0.195 17610 18021 1 19 . 1 1 160 160 ASP CB C 154 40.040 40.040 39.949 0.091 17610 18022 1 19 . 1 1 160 160 ASP H H 154 8.145 8.145 8.259 -0.114 17610 18023 1 19 . 1 1 161 161 ALA N N 155 125.270 125.270 121.888 3.382 17610 18024 1 19 . 1 1 161 161 ALA HA H 155 3.749 3.749 3.971 -0.222 17610 18025 1 19 . 1 1 161 161 ALA C C 155 177.684 177.684 179.610 -1.926 17610 18026 1 19 . 1 1 161 161 ALA CA C 155 56.295 56.295 54.647 1.648 17610 18027 1 19 . 1 1 161 161 ALA CB C 155 17.397 17.397 18.317 -0.920 17610 18028 1 19 . 1 1 161 161 ALA H H 155 8.603 8.603 7.502 1.101 17610 18029 1 19 . 1 1 162 162 PHE N N 156 113.772 113.772 117.270 -3.498 17610 18030 1 19 . 1 1 162 162 PHE HA H 156 3.912 3.912 4.127 -0.215 17610 18031 1 19 . 1 1 162 162 PHE C C 156 177.975 177.975 177.812 0.163 17610 18032 1 19 . 1 1 162 162 PHE CA C 156 62.851 62.851 61.858 0.993 17610 18033 1 19 . 1 1 162 162 PHE CB C 156 39.472 39.472 38.589 0.883 17610 18034 1 19 . 1 1 162 162 PHE H H 156 7.236 7.236 7.249 -0.013 17610 18035 1 19 . 1 1 163 163 TYR N N 157 120.499 120.499 117.990 2.509 17610 18036 1 19 . 1 1 163 163 TYR HA H 157 4.355 4.355 4.187 0.168 17610 18037 1 19 . 1 1 163 163 TYR C C 157 179.097 179.097 178.277 0.820 17610 18038 1 19 . 1 1 163 163 TYR CA C 157 58.309 58.309 60.257 -1.948 17610 18039 1 19 . 1 1 163 163 TYR CB C 157 35.012 35.012 37.304 -2.292 17610 18040 1 19 . 1 1 163 163 TYR H H 157 9.573 9.573 8.532 1.041 17610 18041 1 19 . 1 1 164 164 THR N N 158 118.206 118.206 115.279 2.927 17610 18042 1 19 . 1 1 164 164 THR HA H 158 3.903 3.903 3.997 -0.094 17610 18043 1 19 . 1 1 164 164 THR C C 158 175.656 175.656 176.192 -0.536 17610 18044 1 19 . 1 1 164 164 THR CA C 158 67.484 67.484 65.948 1.536 17610 18045 1 19 . 1 1 164 164 THR CB C 158 67.819 67.819 68.479 -0.660 17610 18046 1 19 . 1 1 164 164 THR H H 158 8.538 8.538 8.261 0.277 17610 18047 1 19 . 1 1 165 165 LEU N N 159 122.864 122.864 122.656 0.208 17610 18048 1 19 . 1 1 165 165 LEU HA H 159 3.871 3.871 4.115 -0.244 17610 18049 1 19 . 1 1 165 165 LEU C C 159 177.513 177.513 177.616 -0.103 17610 18050 1 19 . 1 1 165 165 LEU CA C 159 57.991 57.991 58.004 -0.013 17610 18051 1 19 . 1 1 165 165 LEU CB C 159 40.181 40.181 41.390 -1.209 17610 18052 1 19 . 1 1 165 165 LEU H H 159 7.232 7.232 7.620 -0.388 17610 18053 1 19 . 1 1 166 166 VAL N N 160 120.322 120.322 119.090 1.232 17610 18054 1 19 . 1 1 166 166 VAL HA H 160 3.045 3.045 3.334 -0.289 17610 18055 1 19 . 1 1 166 166 VAL C C 160 177.474 177.474 178.061 -0.587 17610 18056 1 19 . 1 1 166 166 VAL CA C 160 67.389 67.389 67.045 0.344 17610 18057 1 19 . 1 1 166 166 VAL CB C 160 30.944 30.944 31.001 -0.057 17610 18058 1 19 . 1 1 166 166 VAL H H 160 7.517 7.517 7.482 0.035 17610 18059 1 19 . 1 1 167 167 ARG N N 161 120.151 120.151 118.180 1.971 17610 18060 1 19 . 1 1 167 167 ARG HA H 161 3.772 3.772 4.033 -0.261 17610 18061 1 19 . 1 1 167 167 ARG C C 161 179.030 179.030 178.914 0.116 17610 18062 1 19 . 1 1 167 167 ARG CA C 161 60.935 60.935 59.429 1.506 17610 18063 1 19 . 1 1 167 167 ARG CB C 161 29.586 29.586 29.834 -0.247 17610 18064 1 19 . 1 1 167 167 ARG H H 161 8.044 8.044 7.561 0.483 17610 18065 1 19 . 1 1 168 168 GLU N N 162 119.201 119.201 120.299 -1.098 17610 18066 1 19 . 1 1 168 168 GLU HA H 162 4.050 4.050 4.172 -0.122 17610 18067 1 19 . 1 1 168 168 GLU C C 162 179.805 179.805 178.845 0.960 17610 18068 1 19 . 1 1 168 168 GLU CA C 162 58.867 58.867 59.053 -0.186 17610 18069 1 19 . 1 1 168 168 GLU CB C 162 30.330 30.330 29.025 1.305 17610 18070 1 19 . 1 1 168 168 GLU H H 162 8.171 8.171 7.425 0.746 17610 18071 1 19 . 1 1 169 169 ILE N N 163 123.244 123.244 120.314 2.930 17610 18072 1 19 . 1 1 169 169 ILE HA H 163 3.583 3.583 3.669 -0.086 17610 18073 1 19 . 1 1 169 169 ILE C C 163 178.906 178.906 178.787 0.119 17610 18074 1 19 . 1 1 169 169 ILE CA C 163 66.023 66.023 65.590 0.433 17610 18075 1 19 . 1 1 169 169 ILE CB C 163 38.204 38.204 37.752 0.452 17610 18076 1 19 . 1 1 169 169 ILE H H 163 8.174 8.174 8.534 -0.360 17610 18077 1 19 . 1 1 170 170 ARG N N 164 119.842 119.842 119.354 0.488 17610 18078 1 19 . 1 1 170 170 ARG HA H 164 4.140 4.140 4.072 0.068 17610 18079 1 19 . 1 1 170 170 ARG C C 164 177.532 177.532 178.450 -0.918 17610 18080 1 19 . 1 1 170 170 ARG CA C 164 58.944 58.944 59.227 -0.283 17610 18081 1 19 . 1 1 170 170 ARG CB C 164 31.206 31.206 29.994 1.212 17610 18082 1 19 . 1 1 170 170 ARG H H 164 8.405 8.405 7.899 0.506 17610 18083 1 19 . 1 1 171 171 GLN N N 165 116.762 116.762 115.286 1.476 17610 18084 1 19 . 1 1 171 171 GLN HA H 165 4.343 4.343 4.179 0.164 17610 18085 1 19 . 1 1 171 171 GLN C C 165 175.218 175.218 176.379 -1.161 17610 18086 1 19 . 1 1 171 171 GLN CA C 165 56.100 56.100 57.523 -1.423 17610 18087 1 19 . 1 1 171 171 GLN CB C 165 29.236 29.236 29.308 -0.073 17610 18088 1 19 . 1 1 171 171 GLN H H 165 7.646 7.646 7.765 -0.119 17610 18089 1 20 . 1 1 8 8 THR N N 2 124.188 124.188 118.941 5.247 17610 18090 1 20 . 1 1 8 8 THR HA H 2 3.983 3.983 4.169 -0.186 17610 18091 1 20 . 1 1 8 8 THR C C 2 171.971 171.971 172.885 -0.914 17610 18092 1 20 . 1 1 8 8 THR CA C 2 63.551 63.551 63.163 0.387 17610 18093 1 20 . 1 1 8 8 THR CB C 2 69.619 69.619 69.383 0.236 17610 18094 1 20 . 1 1 8 8 THR H H 2 8.667 8.667 8.582 0.085 17610 18095 1 20 . 1 1 9 9 GLU N N 3 127.895 127.895 123.415 4.480 17610 18096 1 20 . 1 1 9 9 GLU HA H 3 5.280 5.280 4.307 0.973 17610 18097 1 20 . 1 1 9 9 GLU C C 3 175.089 175.089 175.109 -0.020 17610 18098 1 20 . 1 1 9 9 GLU CA C 3 53.636 53.636 55.806 -2.170 17610 18099 1 20 . 1 1 9 9 GLU CB C 3 32.029 32.029 31.153 0.876 17610 18100 1 20 . 1 1 9 9 GLU H H 3 8.316 8.316 8.273 0.043 17610 18101 1 20 . 1 1 10 10 TYR N N 4 123.375 123.375 125.307 -1.932 17610 18102 1 20 . 1 1 10 10 TYR HA H 4 5.131 5.131 4.653 0.478 17610 18103 1 20 . 1 1 10 10 TYR C C 4 174.621 174.621 174.956 -0.335 17610 18104 1 20 . 1 1 10 10 TYR CA C 4 56.649 56.649 56.658 -0.009 17610 18105 1 20 . 1 1 10 10 TYR CB C 4 41.323 41.323 40.463 0.860 17610 18106 1 20 . 1 1 10 10 TYR H H 4 8.739 8.739 8.669 0.070 17610 18107 1 20 . 1 1 11 11 LYS N N 5 125.147 125.147 125.950 -0.803 17610 18108 1 20 . 1 1 11 11 LYS HA H 5 5.168 5.168 4.708 0.460 17610 18109 1 20 . 1 1 11 11 LYS C C 5 175.291 175.291 174.699 0.592 17610 18110 1 20 . 1 1 11 11 LYS CA C 5 55.145 55.145 55.087 0.058 17610 18111 1 20 . 1 1 11 11 LYS CB C 5 32.225 32.225 32.170 0.055 17610 18112 1 20 . 1 1 11 11 LYS H H 5 9.142 9.142 8.877 0.265 17610 18113 1 20 . 1 1 12 12 LEU N N 6 127.306 127.306 125.188 2.118 17610 18114 1 20 . 1 1 12 12 LEU HA H 6 4.970 4.970 4.525 0.445 17610 18115 1 20 . 1 1 12 12 LEU C C 6 175.298 175.298 175.562 -0.264 17610 18116 1 20 . 1 1 12 12 LEU CA C 6 52.743 52.743 53.647 -0.904 17610 18117 1 20 . 1 1 12 12 LEU CB C 6 43.063 43.063 43.161 -0.098 17610 18118 1 20 . 1 1 12 12 LEU H H 6 9.150 9.150 8.299 0.851 17610 18119 1 20 . 1 1 13 13 VAL N N 7 123.170 123.170 119.975 3.195 17610 18120 1 20 . 1 1 13 13 VAL HA H 7 4.827 4.827 5.007 -0.180 17610 18121 1 20 . 1 1 13 13 VAL C C 7 174.230 174.230 174.663 -0.433 17610 18122 1 20 . 1 1 13 13 VAL CB C 7 34.048 34.048 33.872 0.176 17610 18123 1 20 . 1 1 13 13 VAL H H 7 8.113 8.113 8.005 0.108 17610 18124 1 20 . 1 1 14 14 VAL N N 8 129.854 129.854 126.098 3.756 17610 18125 1 20 . 1 1 14 14 VAL HA H 8 4.669 4.669 4.594 0.075 17610 18126 1 20 . 1 1 14 14 VAL C C 8 175.377 175.377 175.989 -0.612 17610 18127 1 20 . 1 1 14 14 VAL CA C 8 61.935 61.935 60.964 0.971 17610 18128 1 20 . 1 1 14 14 VAL CB C 8 32.496 32.496 31.934 0.562 17610 18129 1 20 . 1 1 14 14 VAL H H 8 8.707 8.707 8.449 0.258 17610 18130 1 20 . 1 1 15 15 VAL N N 9 121.835 121.835 121.753 0.082 17610 18131 1 20 . 1 1 15 15 VAL HA H 9 4.616 4.616 4.723 -0.107 17610 18132 1 20 . 1 1 15 15 VAL C C 9 172.824 172.824 174.790 -1.966 17610 18133 1 20 . 1 1 15 15 VAL CA C 9 58.963 58.963 58.583 0.380 17610 18134 1 20 . 1 1 15 15 VAL CB C 9 35.405 35.405 33.727 1.678 17610 18135 1 20 . 1 1 15 15 VAL H H 9 9.107 9.107 8.577 0.530 17610 18136 1 20 . 1 1 16 16 GLY N N 10 109.233 109.233 107.160 2.073 17610 18137 1 20 . 1 1 16 16 GLY C C 10 172.504 172.504 172.746 -0.242 17610 18138 1 20 . 1 1 16 16 GLY CA C 10 43.848 43.848 45.639 -1.791 17610 18139 1 20 . 1 1 16 16 GLY H H 10 7.394 7.394 8.111 -0.717 17610 18140 1 20 . 1 1 17 17 ALA N N 11 123.120 123.120 122.556 0.564 17610 18141 1 20 . 1 1 17 17 ALA HA H 11 4.547 4.547 4.967 -0.420 17610 18142 1 20 . 1 1 17 17 ALA C C 11 177.371 177.371 177.193 0.178 17610 18143 1 20 . 1 1 17 17 ALA CA C 11 52.236 52.236 51.047 1.189 17610 18144 1 20 . 1 1 17 17 ALA CB C 11 19.807 19.807 20.249 -0.442 17610 18145 1 20 . 1 1 17 17 ALA H H 11 9.054 9.054 8.570 0.484 17610 18146 1 20 . 1 1 18 18 GLY N N 12 107.391 107.391 106.836 0.555 17610 18147 1 20 . 1 1 18 18 GLY C C 12 176.858 176.858 175.664 1.194 17610 18148 1 20 . 1 1 18 18 GLY CA C 12 46.465 46.465 45.365 1.100 17610 18149 1 20 . 1 1 18 18 GLY H H 12 8.694 8.694 7.840 0.854 17610 18150 1 20 . 1 1 19 19 GLY N N 13 114.596 114.596 111.000 3.596 17610 18151 1 20 . 1 1 19 19 GLY C C 13 174.661 174.661 175.677 -1.016 17610 18152 1 20 . 1 1 19 19 GLY CA C 13 46.545 46.545 45.607 0.938 17610 18153 1 20 . 1 1 19 19 GLY H H 13 8.916 8.916 8.552 0.364 17610 18154 1 20 . 1 1 20 20 VAL N N 14 113.376 113.376 117.574 -4.198 17610 18155 1 20 . 1 1 20 20 VAL HA H 14 4.008 4.008 3.901 0.107 17610 18156 1 20 . 1 1 20 20 VAL C C 14 174.469 174.469 175.723 -1.254 17610 18157 1 20 . 1 1 20 20 VAL CA C 14 62.825 62.825 63.618 -0.793 17610 18158 1 20 . 1 1 20 20 VAL CB C 14 31.740 31.740 31.485 0.255 17610 18159 1 20 . 1 1 20 20 VAL H H 14 7.427 7.427 7.995 -0.568 17610 18160 1 20 . 1 1 21 21 GLY N N 15 109.392 109.392 105.106 4.286 17610 18161 1 20 . 1 1 21 21 GLY C C 15 173.254 173.254 175.326 -2.072 17610 18162 1 20 . 1 1 21 21 GLY CA C 15 45.708 45.708 44.851 0.857 17610 18163 1 20 . 1 1 21 21 GLY H H 15 8.388 8.388 8.253 0.135 17610 18164 1 20 . 1 1 22 22 LYS N N 16 124.844 124.844 119.273 5.571 17610 18165 1 20 . 1 1 22 22 LYS HA H 16 3.537 3.537 4.021 -0.484 17610 18166 1 20 . 1 1 22 22 LYS C C 16 179.106 179.106 177.820 1.286 17610 18167 1 20 . 1 1 22 22 LYS CA C 16 60.990 60.990 58.985 2.005 17610 18168 1 20 . 1 1 22 22 LYS CB C 16 29.967 29.967 31.861 -1.894 17610 18169 1 20 . 1 1 22 22 LYS H H 16 9.097 9.097 8.422 0.675 17610 18170 1 20 . 1 1 23 23 SER N N 17 121.228 121.228 116.234 4.994 17610 18171 1 20 . 1 1 23 23 SER HA H 17 4.292 4.292 4.371 -0.079 17610 18172 1 20 . 1 1 23 23 SER C C 17 175.697 175.697 176.703 -1.006 17610 18173 1 20 . 1 1 23 23 SER CA C 17 61.346 61.346 61.061 0.285 17610 18174 1 20 . 1 1 23 23 SER CB C 17 61.337 61.337 62.538 -1.201 17610 18175 1 20 . 1 1 23 23 SER H H 17 9.546 9.546 8.539 1.007 17610 18176 1 20 . 1 1 24 24 ALA N N 18 126.557 126.557 125.676 0.881 17610 18177 1 20 . 1 1 24 24 ALA HA H 18 3.946 3.946 3.957 -0.011 17610 18178 1 20 . 1 1 24 24 ALA C C 18 181.834 181.834 179.732 2.102 17610 18179 1 20 . 1 1 24 24 ALA CA C 18 54.587 54.587 55.036 -0.449 17610 18180 1 20 . 1 1 24 24 ALA CB C 18 18.539 18.539 18.129 0.410 17610 18181 1 20 . 1 1 24 24 ALA H H 18 9.189 9.189 8.079 1.110 17610 18182 1 20 . 1 1 25 25 LEU N N 19 121.712 121.712 118.034 3.678 17610 18183 1 20 . 1 1 25 25 LEU HA H 19 3.878 3.878 3.850 0.028 17610 18184 1 20 . 1 1 25 25 LEU C C 19 177.485 177.485 179.502 -2.017 17610 18185 1 20 . 1 1 25 25 LEU CA C 19 58.729 58.729 58.066 0.663 17610 18186 1 20 . 1 1 25 25 LEU CB C 19 43.227 43.227 41.473 1.754 17610 18187 1 20 . 1 1 25 25 LEU H H 19 8.817 8.817 7.760 1.057 17610 18188 1 20 . 1 1 26 26 THR N N 20 118.148 118.148 116.534 1.614 17610 18189 1 20 . 1 1 26 26 THR HA H 20 3.401 3.401 3.900 -0.499 17610 18190 1 20 . 1 1 26 26 THR C C 20 175.714 175.714 176.713 -0.999 17610 18191 1 20 . 1 1 26 26 THR CA C 20 68.122 68.122 66.917 1.205 17610 18192 1 20 . 1 1 26 26 THR CB C 20 68.196 68.196 68.724 -0.528 17610 18193 1 20 . 1 1 26 26 THR H H 20 7.517 7.517 7.663 -0.146 17610 18194 1 20 . 1 1 27 27 ILE N N 21 121.987 121.987 121.299 0.688 17610 18195 1 20 . 1 1 27 27 ILE HA H 21 3.302 3.302 3.420 -0.118 17610 18196 1 20 . 1 1 27 27 ILE C C 21 175.380 175.380 178.178 -2.798 17610 18197 1 20 . 1 1 27 27 ILE CA C 21 64.278 64.278 63.545 0.733 17610 18198 1 20 . 1 1 27 27 ILE CB C 21 36.758 36.758 36.073 0.685 17610 18199 1 20 . 1 1 27 27 ILE H H 21 8.950 8.950 8.097 0.853 17610 18200 1 20 . 1 1 28 28 GLN N N 22 121.898 121.898 119.076 2.822 17610 18201 1 20 . 1 1 28 28 GLN HA H 22 4.334 4.334 3.846 0.488 17610 18202 1 20 . 1 1 28 28 GLN C C 22 179.058 179.058 178.945 0.113 17610 18203 1 20 . 1 1 28 28 GLN CA C 22 58.796 58.796 58.500 0.296 17610 18204 1 20 . 1 1 28 28 GLN CB C 22 29.752 29.752 28.198 1.554 17610 18205 1 20 . 1 1 28 28 GLN H H 22 8.094 8.094 8.273 -0.179 17610 18206 1 20 . 1 1 29 29 LEU N N 23 121.426 121.426 120.846 0.580 17610 18207 1 20 . 1 1 29 29 LEU HA H 23 3.765 3.765 3.965 -0.200 17610 18208 1 20 . 1 1 29 29 LEU C C 23 178.155 178.155 178.426 -0.271 17610 18209 1 20 . 1 1 29 29 LEU CA C 23 58.304 58.304 57.145 1.159 17610 18210 1 20 . 1 1 29 29 LEU CB C 23 40.637 40.637 41.581 -0.944 17610 18211 1 20 . 1 1 29 29 LEU H H 23 7.746 7.746 7.596 0.150 17610 18212 1 20 . 1 1 30 30 ILE N N 24 115.325 115.325 116.811 -1.486 17610 18213 1 20 . 1 1 30 30 ILE HA H 24 3.697 3.697 3.569 0.128 17610 18214 1 20 . 1 1 30 30 ILE C C 24 177.421 177.421 177.637 -0.216 17610 18215 1 20 . 1 1 30 30 ILE CA C 24 62.050 62.050 63.991 -1.941 17610 18216 1 20 . 1 1 30 30 ILE CB C 24 37.183 37.183 37.126 0.057 17610 18217 1 20 . 1 1 30 30 ILE H H 24 8.115 8.115 7.753 0.362 17610 18218 1 20 . 1 1 31 31 GLN N N 25 117.213 117.213 117.650 -0.437 17610 18219 1 20 . 1 1 31 31 GLN HA H 25 4.539 4.539 4.288 0.251 17610 18220 1 20 . 1 1 31 31 GLN C C 25 176.149 176.149 174.504 1.645 17610 18221 1 20 . 1 1 31 31 GLN CA C 25 55.234 55.234 56.260 -1.026 17610 18222 1 20 . 1 1 31 31 GLN CB C 25 30.184 30.184 30.902 -0.718 17610 18223 1 20 . 1 1 31 31 GLN H H 25 8.887 8.887 8.280 0.607 17610 18224 1 20 . 1 1 32 32 ASN N N 26 117.820 117.820 113.530 4.290 17610 18225 1 20 . 1 1 32 32 ASN HA H 26 4.807 4.807 4.738 0.069 17610 18226 1 20 . 1 1 32 32 ASN C C 26 174.051 174.051 173.348 0.703 17610 18227 1 20 . 1 1 32 32 ASN CA C 26 54.310 54.310 53.341 0.969 17610 18228 1 20 . 1 1 32 32 ASN CB C 26 37.184 37.184 37.265 -0.081 17610 18229 1 20 . 1 1 32 32 ASN H H 26 7.982 7.982 7.907 0.075 17610 18230 1 20 . 1 1 33 33 HIS N N 27 112.968 112.968 114.547 -1.579 17610 18231 1 20 . 1 1 33 33 HIS HA H 27 4.889 4.889 4.592 0.297 17610 18232 1 20 . 1 1 33 33 HIS C C 27 172.514 172.514 173.214 -0.700 17610 18233 1 20 . 1 1 33 33 HIS CA C 27 54.314 54.314 54.823 -0.509 17610 18234 1 20 . 1 1 33 33 HIS CB C 27 32.616 32.616 30.743 1.873 17610 18235 1 20 . 1 1 33 33 HIS H H 27 6.804 6.804 7.347 -0.543 17610 18236 1 20 . 1 1 34 34 PHE N N 28 123.605 123.605 123.476 0.129 17610 18237 1 20 . 1 1 34 34 PHE HA H 28 4.914 4.914 4.564 0.350 17610 18238 1 20 . 1 1 34 34 PHE C C 28 174.641 174.641 175.136 -0.495 17610 18239 1 20 . 1 1 34 34 PHE CA C 28 55.754 55.754 56.996 -1.242 17610 18240 1 20 . 1 1 34 34 PHE CB C 28 40.573 40.573 38.348 2.225 17610 18241 1 20 . 1 1 34 34 PHE H H 28 8.462 8.462 8.506 -0.044 17610 18242 1 20 . 1 1 35 35 VAL N N 29 126.695 126.695 126.343 0.352 17610 18243 1 20 . 1 1 35 35 VAL HA H 29 3.911 3.911 3.957 -0.046 17610 18244 1 20 . 1 1 35 35 VAL C C 29 173.764 173.764 176.079 -2.315 17610 18245 1 20 . 1 1 35 35 VAL CA C 29 61.275 61.275 64.372 -3.097 17610 18246 1 20 . 1 1 35 35 VAL CB C 29 33.154 33.154 32.822 0.332 17610 18247 1 20 . 1 1 35 35 VAL H H 29 7.537 7.537 8.038 -0.501 17610 18248 1 20 . 1 1 36 36 ASP N N 30 123.271 123.271 124.011 -0.740 17610 18249 1 20 . 1 1 36 36 ASP HA H 30 4.185 4.185 4.793 -0.608 17610 18250 1 20 . 1 1 36 36 ASP C C 30 176.129 176.129 176.502 -0.373 17610 18251 1 20 . 1 1 36 36 ASP CA C 30 54.662 54.662 55.522 -0.860 17610 18252 1 20 . 1 1 36 36 ASP CB C 30 41.323 41.323 40.911 0.412 17610 18253 1 20 . 1 1 36 36 ASP H H 30 7.618 7.618 8.549 -0.931 17610 18254 1 20 . 1 1 37 37 GLU N N 31 119.730 119.730 122.336 -2.606 17610 18255 1 20 . 1 1 37 37 GLU HA H 31 4.262 4.262 4.491 -0.229 17610 18256 1 20 . 1 1 37 37 GLU C C 31 174.901 174.901 175.766 -0.865 17610 18257 1 20 . 1 1 37 37 GLU CA C 31 56.137 56.137 55.973 0.164 17610 18258 1 20 . 1 1 37 37 GLU CB C 31 30.459 30.459 28.784 1.675 17610 18259 1 20 . 1 1 37 37 GLU H H 31 7.857 7.857 8.642 -0.785 17610 18260 1 20 . 1 1 38 38 TYR N N 32 123.296 123.296 117.337 5.959 17610 18261 1 20 . 1 1 38 38 TYR HA H 32 4.486 4.486 4.730 -0.244 17610 18262 1 20 . 1 1 38 38 TYR C C 32 174.370 174.370 173.884 0.486 17610 18263 1 20 . 1 1 38 38 TYR CA C 32 57.511 57.511 55.415 2.096 17610 18264 1 20 . 1 1 38 38 TYR CB C 32 39.199 39.199 39.463 -0.264 17610 18265 1 20 . 1 1 38 38 TYR H H 32 8.244 8.244 7.873 0.371 17610 18266 1 20 . 1 1 39 39 ASP N N 33 127.452 127.452 122.191 5.261 17610 18267 1 20 . 1 1 39 39 ASP HA H 33 4.891 4.891 4.549 0.342 17610 18268 1 20 . 1 1 39 39 ASP CA C 33 51.207 51.207 53.301 -2.094 17610 18269 1 20 . 1 1 39 39 ASP CB C 33 41.837 41.837 41.238 0.599 17610 18270 1 20 . 1 1 39 39 ASP H H 33 8.158 8.158 8.303 -0.145 17610 18271 1 20 . 1 1 40 40 PRO HA H 34 4.405 4.405 4.175 0.230 17610 18272 1 20 . 1 1 40 40 PRO C C 34 176.938 176.938 176.385 0.553 17610 18273 1 20 . 1 1 40 40 PRO CA C 34 63.068 63.068 63.773 -0.705 17610 18274 1 20 . 1 1 40 40 PRO CB C 34 32.089 32.089 32.287 -0.198 17610 18275 1 20 . 1 1 41 41 SER N N 35 117.575 117.575 116.086 1.489 17610 18276 1 20 . 1 1 41 41 SER HA H 35 4.433 4.433 4.563 -0.130 17610 18277 1 20 . 1 1 41 41 SER C C 35 174.777 174.777 173.560 1.217 17610 18278 1 20 . 1 1 41 41 SER CA C 35 58.346 58.346 57.714 0.632 17610 18279 1 20 . 1 1 41 41 SER CB C 35 63.704 63.704 63.241 0.463 17610 18280 1 20 . 1 1 41 41 SER H H 35 8.495 8.495 8.131 0.364 17610 18281 1 20 . 1 1 42 42 ILE N N 36 123.018 123.018 121.289 1.729 17610 18282 1 20 . 1 1 42 42 ILE HA H 36 4.219 4.219 4.332 -0.113 17610 18283 1 20 . 1 1 42 42 ILE C C 36 175.966 175.966 174.832 1.134 17610 18284 1 20 . 1 1 42 42 ILE CA C 36 61.665 61.665 59.774 1.891 17610 18285 1 20 . 1 1 42 42 ILE CB C 36 38.745 38.745 40.434 -1.689 17610 18286 1 20 . 1 1 42 42 ILE H H 36 7.919 7.919 7.983 -0.064 17610 18287 1 20 . 1 1 43 43 GLU N N 37 124.699 124.699 120.098 4.601 17610 18288 1 20 . 1 1 43 43 GLU HA H 37 4.381 4.381 4.397 -0.016 17610 18289 1 20 . 1 1 43 43 GLU C C 37 179.069 179.069 176.037 3.032 17610 18290 1 20 . 1 1 43 43 GLU CA C 37 56.223 56.223 55.583 0.640 17610 18291 1 20 . 1 1 43 43 GLU CB C 37 30.616 30.616 30.261 0.355 17610 18292 1 20 . 1 1 43 43 GLU H H 37 8.201 8.201 8.334 -0.133 17610 18293 1 20 . 1 1 44 44 ASP N N 38 121.902 121.902 120.529 1.373 17610 18294 1 20 . 1 1 44 44 ASP HA H 38 4.622 4.622 4.519 0.103 17610 18295 1 20 . 1 1 44 44 ASP C C 38 174.634 174.634 175.388 -0.754 17610 18296 1 20 . 1 1 44 44 ASP CA C 38 54.095 54.095 53.753 0.342 17610 18297 1 20 . 1 1 44 44 ASP CB C 38 41.837 41.837 39.021 2.816 17610 18298 1 20 . 1 1 44 44 ASP H H 38 8.094 8.094 8.270 -0.176 17610 18299 1 20 . 1 1 45 45 SER N N 39 114.779 114.779 114.980 -0.201 17610 18300 1 20 . 1 1 45 45 SER HA H 39 4.923 4.923 3.747 1.176 17610 18301 1 20 . 1 1 45 45 SER C C 39 173.339 173.339 173.465 -0.126 17610 18302 1 20 . 1 1 45 45 SER CA C 39 57.023 57.023 58.977 -1.954 17610 18303 1 20 . 1 1 45 45 SER CB C 39 64.751 64.751 63.703 1.048 17610 18304 1 20 . 1 1 45 45 SER H H 39 7.792 7.792 7.919 -0.127 17610 18305 1 20 . 1 1 46 46 TYR N N 40 124.235 124.235 116.783 7.452 17610 18306 1 20 . 1 1 46 46 TYR HA H 40 4.662 4.662 4.799 -0.137 17610 18307 1 20 . 1 1 46 46 TYR C C 40 173.910 173.910 173.716 0.194 17610 18308 1 20 . 1 1 46 46 TYR CA C 40 56.944 56.944 56.779 0.165 17610 18309 1 20 . 1 1 46 46 TYR CB C 40 41.323 41.323 42.388 -1.065 17610 18310 1 20 . 1 1 46 46 TYR H H 40 8.976 8.976 8.159 0.817 17610 18311 1 20 . 1 1 47 47 ARG N N 41 121.906 121.906 118.455 3.451 17610 18312 1 20 . 1 1 47 47 ARG HA H 41 5.802 5.802 5.103 0.699 17610 18313 1 20 . 1 1 47 47 ARG C C 41 176.150 176.150 174.646 1.504 17610 18314 1 20 . 1 1 47 47 ARG CA C 41 54.129 54.129 54.549 -0.420 17610 18315 1 20 . 1 1 47 47 ARG CB C 41 34.105 34.105 33.422 0.683 17610 18316 1 20 . 1 1 47 47 ARG H H 41 8.238 8.238 8.510 -0.272 17610 18317 1 20 . 1 1 48 48 LYS N N 42 123.924 123.924 123.565 0.359 17610 18318 1 20 . 1 1 48 48 LYS HA H 42 4.508 4.508 4.629 -0.121 17610 18319 1 20 . 1 1 48 48 LYS C C 42 173.710 173.710 174.834 -1.124 17610 18320 1 20 . 1 1 48 48 LYS CA C 42 55.651 55.651 54.577 1.074 17610 18321 1 20 . 1 1 48 48 LYS CB C 42 38.139 38.139 36.398 1.741 17610 18322 1 20 . 1 1 48 48 LYS H H 42 8.705 8.705 8.453 0.252 17610 18323 1 20 . 1 1 49 49 GLN N N 43 130.301 130.301 126.145 4.156 17610 18324 1 20 . 1 1 49 49 GLN HA H 43 5.230 5.230 4.459 0.771 17610 18325 1 20 . 1 1 49 49 GLN C C 43 175.254 175.254 174.950 0.304 17610 18326 1 20 . 1 1 49 49 GLN CA C 43 55.496 55.496 55.508 -0.012 17610 18327 1 20 . 1 1 49 49 GLN CB C 43 29.892 29.892 29.629 0.263 17610 18328 1 20 . 1 1 49 49 GLN H H 43 8.897 8.897 8.649 0.248 17610 18329 1 20 . 1 1 50 50 VAL N N 44 122.354 122.354 121.636 0.718 17610 18330 1 20 . 1 1 50 50 VAL HA H 44 4.772 4.772 4.675 0.097 17610 18331 1 20 . 1 1 50 50 VAL C C 44 173.116 173.116 173.437 -0.321 17610 18332 1 20 . 1 1 50 50 VAL CA C 44 59.238 59.238 59.143 0.095 17610 18333 1 20 . 1 1 50 50 VAL CB C 44 35.888 35.888 35.599 0.289 17610 18334 1 20 . 1 1 50 50 VAL H H 44 9.104 9.104 8.415 0.689 17610 18335 1 20 . 1 1 51 51 VAL N N 45 122.385 122.385 119.907 2.478 17610 18336 1 20 . 1 1 51 51 VAL HA H 45 4.462 4.462 4.535 -0.073 17610 18337 1 20 . 1 1 51 51 VAL C C 45 175.450 175.450 175.659 -0.209 17610 18338 1 20 . 1 1 51 51 VAL CA C 45 61.832 61.832 61.015 0.817 17610 18339 1 20 . 1 1 51 51 VAL CB C 45 32.228 32.228 31.837 0.391 17610 18340 1 20 . 1 1 51 51 VAL H H 45 8.100 8.100 8.424 -0.324 17610 18341 1 20 . 1 1 52 52 ILE N N 46 126.953 126.953 129.075 -2.122 17610 18342 1 20 . 1 1 52 52 ILE HA H 46 3.995 3.995 3.916 0.079 17610 18343 1 20 . 1 1 52 52 ILE C C 46 176.424 176.424 176.295 0.129 17610 18344 1 20 . 1 1 52 52 ILE CA C 46 60.343 60.343 60.207 0.136 17610 18345 1 20 . 1 1 52 52 ILE CB C 46 40.096 40.096 36.022 4.074 17610 18346 1 20 . 1 1 52 52 ILE H H 46 8.118 8.118 8.737 -0.619 17610 18347 1 20 . 1 1 53 53 ASP N N 47 132.206 132.206 128.868 3.338 17610 18348 1 20 . 1 1 53 53 ASP HA H 47 4.267 4.267 4.221 0.046 17610 18349 1 20 . 1 1 53 53 ASP C C 47 176.121 176.121 176.378 -0.257 17610 18350 1 20 . 1 1 53 53 ASP CA C 47 55.267 55.267 54.974 0.293 17610 18351 1 20 . 1 1 53 53 ASP CB C 47 39.203 39.203 40.013 -0.810 17610 18352 1 20 . 1 1 53 53 ASP H H 47 9.605 9.605 8.874 0.731 17610 18353 1 20 . 1 1 54 54 GLY N N 48 104.275 104.275 104.892 -0.617 17610 18354 1 20 . 1 1 54 54 GLY C C 48 173.219 173.219 173.859 -0.640 17610 18355 1 20 . 1 1 54 54 GLY CA C 48 45.318 45.318 44.983 0.335 17610 18356 1 20 . 1 1 54 54 GLY H H 48 8.332 8.332 8.008 0.324 17610 18357 1 20 . 1 1 55 55 GLU N N 49 123.384 123.384 123.763 -0.379 17610 18358 1 20 . 1 1 55 55 GLU HA H 49 4.691 4.691 4.359 0.332 17610 18359 1 20 . 1 1 55 55 GLU C C 49 175.614 175.614 175.831 -0.217 17610 18360 1 20 . 1 1 55 55 GLU CA C 49 54.719 54.719 55.289 -0.570 17610 18361 1 20 . 1 1 55 55 GLU CB C 49 31.803 31.803 30.164 1.639 17610 18362 1 20 . 1 1 55 55 GLU H H 49 7.684 7.684 7.809 -0.125 17610 18363 1 20 . 1 1 56 56 THR N N 50 127.153 127.153 123.829 3.324 17610 18364 1 20 . 1 1 56 56 THR HA H 50 4.727 4.727 4.680 0.047 17610 18365 1 20 . 1 1 56 56 THR C C 50 173.530 173.530 173.834 -0.304 17610 18366 1 20 . 1 1 56 56 THR CA C 50 63.521 63.521 63.815 -0.293 17610 18367 1 20 . 1 1 56 56 THR CB C 50 68.478 68.478 69.180 -0.702 17610 18368 1 20 . 1 1 56 56 THR H H 50 8.951 8.951 8.453 0.498 17610 18369 1 20 . 1 1 57 57 CYS N N 51 124.835 124.835 123.710 1.125 17610 18370 1 20 . 1 1 57 57 CYS HA H 51 5.086 5.086 4.705 0.381 17610 18371 1 20 . 1 1 57 57 CYS C C 51 170.937 170.937 172.934 -1.997 17610 18372 1 20 . 1 1 57 57 CYS CA C 51 56.423 56.423 57.933 -1.510 17610 18373 1 20 . 1 1 57 57 CYS CB C 51 31.549 31.549 31.484 0.065 17610 18374 1 20 . 1 1 57 57 CYS H H 51 9.424 9.424 8.711 0.713 17610 18375 1 20 . 1 1 58 58 LEU N N 52 123.111 123.111 122.452 0.659 17610 18376 1 20 . 1 1 58 58 LEU HA H 52 4.943 4.943 4.649 0.294 17610 18377 1 20 . 1 1 58 58 LEU C C 52 175.044 175.044 175.789 -0.745 17610 18378 1 20 . 1 1 58 58 LEU CA C 52 53.372 53.372 54.517 -1.145 17610 18379 1 20 . 1 1 58 58 LEU CB C 52 44.304 44.304 43.172 1.132 17610 18380 1 20 . 1 1 58 58 LEU H H 52 8.803 8.803 8.963 -0.160 17610 18381 1 20 . 1 1 59 59 LEU N N 53 124.540 124.540 124.302 0.238 17610 18382 1 20 . 1 1 59 59 LEU HA H 53 4.888 4.888 4.701 0.187 17610 18383 1 20 . 1 1 59 59 LEU C C 53 174.358 174.358 175.513 -1.155 17610 18384 1 20 . 1 1 59 59 LEU CA C 53 53.490 53.490 53.849 -0.359 17610 18385 1 20 . 1 1 59 59 LEU CB C 53 42.195 42.195 42.666 -0.471 17610 18386 1 20 . 1 1 59 59 LEU H H 53 9.054 9.054 9.241 -0.187 17610 18387 1 20 . 1 1 60 60 ASP N N 54 126.666 126.666 125.903 0.763 17610 18388 1 20 . 1 1 60 60 ASP HA H 54 5.225 5.225 4.833 0.392 17610 18389 1 20 . 1 1 60 60 ASP C C 54 174.846 174.846 175.338 -0.492 17610 18390 1 20 . 1 1 60 60 ASP CA C 54 53.040 53.040 54.607 -1.567 17610 18391 1 20 . 1 1 60 60 ASP CB C 54 42.622 42.622 40.663 1.960 17610 18392 1 20 . 1 1 60 60 ASP H H 54 8.739 8.739 9.009 -0.270 17610 18393 1 20 . 1 1 61 61 ILE N N 55 125.100 125.100 124.235 0.865 17610 18394 1 20 . 1 1 61 61 ILE HA H 55 4.690 4.690 4.515 0.175 17610 18395 1 20 . 1 1 61 61 ILE C C 55 174.745 174.745 175.268 -0.523 17610 18396 1 20 . 1 1 61 61 ILE CA C 55 60.331 60.331 59.161 1.170 17610 18397 1 20 . 1 1 61 61 ILE CB C 55 39.682 39.682 37.045 2.636 17610 18398 1 20 . 1 1 61 61 ILE H H 55 9.115 9.115 7.935 1.180 17610 18399 1 20 . 1 1 62 62 LEU N N 56 131.208 131.208 129.575 1.633 17610 18400 1 20 . 1 1 62 62 LEU HA H 56 4.667 4.667 4.665 0.002 17610 18401 1 20 . 1 1 62 62 LEU C C 56 174.063 174.063 174.512 -0.449 17610 18402 1 20 . 1 1 62 62 LEU CA C 56 53.795 53.795 53.434 0.361 17610 18403 1 20 . 1 1 62 62 LEU CB C 56 42.256 42.256 44.333 -2.077 17610 18404 1 20 . 1 1 62 62 LEU H H 56 9.014 9.014 8.857 0.157 17610 18405 1 20 . 1 1 63 63 ASP N N 57 128.415 128.415 126.327 2.088 17610 18406 1 20 . 1 1 63 63 ASP HA H 57 4.783 4.783 4.903 -0.120 17610 18407 1 20 . 1 1 63 63 ASP C C 57 176.341 176.341 175.995 0.346 17610 18408 1 20 . 1 1 63 63 ASP CA C 57 52.988 52.988 53.242 -0.254 17610 18409 1 20 . 1 1 63 63 ASP CB C 57 41.837 41.837 42.849 -1.012 17610 18410 1 20 . 1 1 63 63 ASP H H 57 8.657 8.657 8.691 -0.034 17610 18411 1 20 . 1 1 64 64 THR N N 58 114.950 114.950 117.864 -2.914 17610 18412 1 20 . 1 1 64 64 THR HA H 58 4.425 4.425 4.316 0.109 17610 18413 1 20 . 1 1 64 64 THR C C 58 172.734 172.734 175.211 -2.477 17610 18414 1 20 . 1 1 64 64 THR CA C 58 61.488 61.488 59.500 1.988 17610 18415 1 20 . 1 1 64 64 THR CB C 58 71.398 71.398 70.320 1.078 17610 18416 1 20 . 1 1 64 64 THR H H 58 7.369 7.369 7.601 -0.232 17610 18417 1 20 . 1 1 65 65 ALA N N 59 123.940 123.940 121.431 2.509 17610 18418 1 20 . 1 1 65 65 ALA HA H 59 4.764 4.764 4.273 0.491 17610 18419 1 20 . 1 1 65 65 ALA C C 59 179.480 179.480 178.304 1.176 17610 18420 1 20 . 1 1 65 65 ALA CA C 59 51.422 51.422 52.683 -1.261 17610 18421 1 20 . 1 1 65 65 ALA CB C 59 20.796 20.796 19.331 1.465 17610 18422 1 20 . 1 1 65 65 ALA H H 59 8.329 8.329 8.256 0.073 17610 18423 1 20 . 1 1 66 66 GLY N N 60 112.527 112.527 106.296 6.231 17610 18424 1 20 . 1 1 66 66 GLY C C 60 174.938 174.938 175.167 -0.229 17610 18425 1 20 . 1 1 66 66 GLY CA C 60 46.057 46.057 45.839 0.218 17610 18426 1 20 . 1 1 66 66 GLY H H 60 9.397 9.397 8.625 0.772 17610 18427 1 20 . 1 1 67 67 GLN N N 61 120.877 120.877 118.429 2.448 17610 18428 1 20 . 1 1 67 67 GLN HA H 61 4.422 4.422 4.608 -0.186 17610 18429 1 20 . 1 1 67 67 GLN C C 61 176.298 176.298 175.403 0.895 17610 18430 1 20 . 1 1 67 67 GLN CA C 61 56.355 56.355 55.564 0.791 17610 18431 1 20 . 1 1 67 67 GLN CB C 61 29.438 29.438 29.471 -0.033 17610 18432 1 20 . 1 1 67 67 GLN H H 61 8.237 8.237 8.277 -0.040 17610 18433 1 20 . 1 1 68 68 GLU N N 62 123.751 123.751 121.154 2.597 17610 18434 1 20 . 1 1 68 68 GLU HA H 62 4.208 4.208 4.349 -0.141 17610 18435 1 20 . 1 1 68 68 GLU C C 62 177.032 177.032 176.052 0.980 17610 18436 1 20 . 1 1 68 68 GLU CA C 62 57.801 57.801 55.949 1.852 17610 18437 1 20 . 1 1 68 68 GLU CB C 62 29.834 29.834 30.704 -0.871 17610 18438 1 20 . 1 1 68 68 GLU H H 62 8.738 8.738 8.077 0.661 17610 18439 1 20 . 1 1 69 69 GLU N N 63 121.861 121.861 122.660 -0.799 17610 18440 1 20 . 1 1 69 69 GLU HA H 63 4.228 4.228 4.619 -0.391 17610 18441 1 20 . 1 1 69 69 GLU C C 63 176.145 176.145 175.449 0.696 17610 18442 1 20 . 1 1 69 69 GLU CA C 63 57.026 57.026 55.886 1.140 17610 18443 1 20 . 1 1 69 69 GLU CB C 63 30.231 30.231 29.833 0.398 17610 18444 1 20 . 1 1 69 69 GLU H H 63 8.607 8.607 8.582 0.025 17610 18445 1 20 . 1 1 70 70 TYR N N 64 121.801 121.801 122.983 -1.182 17610 18446 1 20 . 1 1 70 70 TYR HA H 64 4.587 4.587 4.628 -0.041 17610 18447 1 20 . 1 1 70 70 TYR C C 64 175.965 175.965 174.400 1.565 17610 18448 1 20 . 1 1 70 70 TYR CA C 64 58.160 58.160 58.589 -0.429 17610 18449 1 20 . 1 1 70 70 TYR CB C 64 38.288 38.288 40.743 -2.455 17610 18450 1 20 . 1 1 70 70 TYR H H 64 8.225 8.225 8.622 -0.397 17610 18451 1 20 . 1 1 71 71 SER N N 65 120.137 120.137 115.792 4.345 17610 18452 1 20 . 1 1 71 71 SER HA H 65 4.269 4.269 4.444 -0.175 17610 18453 1 20 . 1 1 71 71 SER C C 65 174.912 174.912 174.677 0.235 17610 18454 1 20 . 1 1 71 71 SER CA C 65 58.755 58.755 59.873 -1.118 17610 18455 1 20 . 1 1 71 71 SER CB C 65 63.755 63.755 63.463 0.292 17610 18456 1 20 . 1 1 71 71 SER H H 65 7.884 7.884 8.785 -0.901 17610 18457 1 20 . 1 1 72 72 ALA N N 66 127.848 127.848 125.786 2.062 17610 18458 1 20 . 1 1 72 72 ALA HA H 66 4.193 4.193 4.162 0.031 17610 18459 1 20 . 1 1 72 72 ALA C C 66 179.820 179.820 179.978 -0.158 17610 18460 1 20 . 1 1 72 72 ALA CA C 66 54.595 54.595 55.083 -0.488 17610 18461 1 20 . 1 1 72 72 ALA CB C 66 18.264 18.264 18.614 -0.350 17610 18462 1 20 . 1 1 72 72 ALA H H 66 8.706 8.706 8.643 0.063 17610 18463 1 20 . 1 1 73 73 MET N N 67 118.448 118.448 116.125 2.323 17610 18464 1 20 . 1 1 73 73 MET HA H 67 4.271 4.271 4.506 -0.235 17610 18465 1 20 . 1 1 73 73 MET C C 67 177.098 177.098 177.946 -0.848 17610 18466 1 20 . 1 1 73 73 MET CA C 67 56.915 56.915 57.775 -0.860 17610 18467 1 20 . 1 1 73 73 MET CB C 67 32.031 32.031 32.364 -0.333 17610 18468 1 20 . 1 1 73 73 MET H H 67 8.007 8.007 8.181 -0.174 17610 18469 1 20 . 1 1 74 74 ARG N N 68 121.351 121.351 118.787 2.564 17610 18470 1 20 . 1 1 74 74 ARG HA H 68 3.793 3.793 4.293 -0.500 17610 18471 1 20 . 1 1 74 74 ARG C C 68 177.730 177.730 178.624 -0.894 17610 18472 1 20 . 1 1 74 74 ARG CA C 68 59.093 59.093 59.660 -0.567 17610 18473 1 20 . 1 1 74 74 ARG CB C 68 30.118 30.118 29.716 0.402 17610 18474 1 20 . 1 1 74 74 ARG H H 68 7.761 7.761 8.371 -0.610 17610 18475 1 20 . 1 1 75 75 ASP N N 69 119.938 119.938 118.309 1.629 17610 18476 1 20 . 1 1 75 75 ASP HA H 69 4.286 4.286 4.429 -0.143 17610 18477 1 20 . 1 1 75 75 ASP C C 69 177.998 177.998 177.853 0.145 17610 18478 1 20 . 1 1 75 75 ASP CA C 69 57.555 57.555 58.266 -0.711 17610 18479 1 20 . 1 1 75 75 ASP CB C 69 40.401 40.401 41.161 -0.760 17610 18480 1 20 . 1 1 75 75 ASP H H 69 8.077 8.077 7.689 0.388 17610 18481 1 20 . 1 1 76 76 GLN N N 70 119.151 119.151 119.320 -0.169 17610 18482 1 20 . 1 1 76 76 GLN HA H 70 4.050 4.050 4.027 0.023 17610 18483 1 20 . 1 1 76 76 GLN C C 70 178.837 178.837 177.789 1.048 17610 18484 1 20 . 1 1 76 76 GLN CA C 70 58.920 58.920 58.707 0.213 17610 18485 1 20 . 1 1 76 76 GLN CB C 70 28.063 28.063 28.240 -0.177 17610 18486 1 20 . 1 1 76 76 GLN H H 70 7.789 7.789 7.626 0.163 17610 18487 1 20 . 1 1 77 77 TYR N N 71 119.847 119.847 118.365 1.482 17610 18488 1 20 . 1 1 77 77 TYR HA H 71 4.548 4.548 4.446 0.102 17610 18489 1 20 . 1 1 77 77 TYR C C 71 178.680 178.680 177.034 1.646 17610 18490 1 20 . 1 1 77 77 TYR CA C 71 58.785 58.785 59.612 -0.827 17610 18491 1 20 . 1 1 77 77 TYR CB C 71 36.986 36.986 38.457 -1.471 17610 18492 1 20 . 1 1 77 77 TYR H H 71 8.131 8.131 7.759 0.372 17610 18493 1 20 . 1 1 78 78 MET N N 72 119.987 119.987 117.534 2.453 17610 18494 1 20 . 1 1 78 78 MET HA H 72 4.402 4.402 3.827 0.575 17610 18495 1 20 . 1 1 78 78 MET C C 72 177.008 177.008 178.709 -1.701 17610 18496 1 20 . 1 1 78 78 MET CA C 72 59.028 59.028 58.509 0.519 17610 18497 1 20 . 1 1 78 78 MET CB C 72 32.709 32.709 32.187 0.522 17610 18498 1 20 . 1 1 78 78 MET H H 72 8.380 8.380 6.997 1.383 17610 18499 1 20 . 1 1 79 79 ARG N N 73 117.792 117.792 115.135 2.657 17610 18500 1 20 . 1 1 79 79 ARG HA H 73 3.914 3.914 4.205 -0.291 17610 18501 1 20 . 1 1 79 79 ARG C C 73 178.169 178.169 177.529 0.640 17610 18502 1 20 . 1 1 79 79 ARG CA C 73 59.493 59.493 58.007 1.486 17610 18503 1 20 . 1 1 79 79 ARG CB C 73 30.100 30.100 29.848 0.252 17610 18504 1 20 . 1 1 79 79 ARG H H 73 7.992 7.992 8.011 -0.019 17610 18505 1 20 . 1 1 80 80 THR N N 74 110.012 110.012 107.530 2.482 17610 18506 1 20 . 1 1 80 80 THR HA H 74 4.242 4.242 4.388 -0.146 17610 18507 1 20 . 1 1 80 80 THR C C 74 175.640 175.640 174.969 0.671 17610 18508 1 20 . 1 1 80 80 THR CA C 74 62.863 62.863 62.354 0.509 17610 18509 1 20 . 1 1 80 80 THR CB C 74 69.808 69.808 70.714 -0.906 17610 18510 1 20 . 1 1 80 80 THR H H 74 7.718 7.718 7.354 0.364 17610 18511 1 20 . 1 1 81 81 GLY N N 75 109.297 109.297 109.452 -0.155 17610 18512 1 20 . 1 1 81 81 GLY C C 75 172.419 172.419 174.050 -1.631 17610 18513 1 20 . 1 1 81 81 GLY CA C 75 46.504 46.504 44.011 2.493 17610 18514 1 20 . 1 1 81 81 GLY H H 75 7.852 7.852 7.285 0.567 17610 18515 1 20 . 1 1 82 82 GLU N N 76 122.399 122.399 124.043 -1.644 17610 18516 1 20 . 1 1 82 82 GLU HA H 76 4.523 4.523 3.972 0.551 17610 18517 1 20 . 1 1 82 82 GLU C C 76 176.409 176.409 176.159 0.250 17610 18518 1 20 . 1 1 82 82 GLU CA C 76 56.469 56.469 59.020 -2.551 17610 18519 1 20 . 1 1 82 82 GLU CB C 76 32.049 32.049 30.241 1.808 17610 18520 1 20 . 1 1 82 82 GLU H H 76 8.879 8.879 8.450 0.429 17610 18521 1 20 . 1 1 83 83 GLY N N 77 102.282 102.282 103.216 -0.934 17610 18522 1 20 . 1 1 83 83 GLY C C 77 170.803 170.803 171.883 -1.080 17610 18523 1 20 . 1 1 83 83 GLY CA C 77 45.453 45.453 44.434 1.019 17610 18524 1 20 . 1 1 83 83 GLY H H 77 7.192 7.192 7.320 -0.128 17610 18525 1 20 . 1 1 84 84 PHE N N 78 122.648 122.648 116.622 6.026 17610 18526 1 20 . 1 1 84 84 PHE HA H 78 5.448 5.448 5.401 0.047 17610 18527 1 20 . 1 1 84 84 PHE C C 78 173.734 173.734 174.020 -0.286 17610 18528 1 20 . 1 1 84 84 PHE CA C 78 57.065 57.065 57.094 -0.029 17610 18529 1 20 . 1 1 84 84 PHE CB C 78 42.997 42.997 43.914 -0.917 17610 18530 1 20 . 1 1 84 84 PHE H H 78 8.224 8.224 8.297 -0.073 17610 18531 1 20 . 1 1 85 85 LEU N N 79 127.298 127.298 122.671 4.627 17610 18532 1 20 . 1 1 85 85 LEU HA H 79 4.690 4.690 5.111 -0.421 17610 18533 1 20 . 1 1 85 85 LEU C C 79 174.690 174.690 175.134 -0.444 17610 18534 1 20 . 1 1 85 85 LEU CA C 79 53.981 53.981 54.109 -0.128 17610 18535 1 20 . 1 1 85 85 LEU CB C 79 43.058 43.058 46.024 -2.966 17610 18536 1 20 . 1 1 85 85 LEU H H 79 9.189 9.189 9.048 0.141 17610 18537 1 20 . 1 1 86 86 CYS N N 80 125.581 125.581 126.772 -1.191 17610 18538 1 20 . 1 1 86 86 CYS HA H 80 4.689 4.689 4.705 -0.016 17610 18539 1 20 . 1 1 86 86 CYS C C 80 172.664 172.664 173.874 -1.210 17610 18540 1 20 . 1 1 86 86 CYS CA C 80 57.767 57.767 59.112 -1.345 17610 18541 1 20 . 1 1 86 86 CYS CB C 80 27.397 27.397 28.067 -0.670 17610 18542 1 20 . 1 1 86 86 CYS H H 80 8.720 8.720 9.416 -0.696 17610 18543 1 20 . 1 1 87 87 VAL N N 81 127.252 127.252 128.187 -0.935 17610 18544 1 20 . 1 1 87 87 VAL HA H 81 4.983 4.983 4.653 0.330 17610 18545 1 20 . 1 1 87 87 VAL C C 81 175.119 175.119 175.120 -0.001 17610 18546 1 20 . 1 1 87 87 VAL CA C 81 61.275 61.275 62.102 -0.827 17610 18547 1 20 . 1 1 87 87 VAL CB C 81 33.407 33.407 31.877 1.530 17610 18548 1 20 . 1 1 87 87 VAL H H 81 9.028 9.028 8.036 0.992 17610 18549 1 20 . 1 1 88 88 PHE N N 82 125.157 125.157 126.008 -0.851 17610 18550 1 20 . 1 1 88 88 PHE HA H 82 4.992 4.992 5.182 -0.190 17610 18551 1 20 . 1 1 88 88 PHE C C 82 171.162 171.162 173.059 -1.897 17610 18552 1 20 . 1 1 88 88 PHE CA C 82 55.349 55.349 54.853 0.496 17610 18553 1 20 . 1 1 88 88 PHE CB C 82 40.430 40.430 42.495 -2.065 17610 18554 1 20 . 1 1 88 88 PHE H H 82 9.306 9.306 9.002 0.304 17610 18555 1 20 . 1 1 89 89 ALA N N 83 122.321 122.321 124.027 -1.706 17610 18556 1 20 . 1 1 89 89 ALA HA H 83 5.082 5.082 4.585 0.497 17610 18557 1 20 . 1 1 89 89 ALA C C 83 179.267 179.267 178.450 0.817 17610 18558 1 20 . 1 1 89 89 ALA CA C 83 49.635 49.635 50.016 -0.381 17610 18559 1 20 . 1 1 89 89 ALA CB C 83 21.739 21.739 19.561 2.178 17610 18560 1 20 . 1 1 89 89 ALA H H 83 8.692 8.692 8.402 0.290 17610 18561 1 20 . 1 1 90 90 ILE N N 84 114.459 114.459 120.795 -6.336 17610 18562 1 20 . 1 1 90 90 ILE HA H 84 4.054 4.054 3.583 0.471 17610 18563 1 20 . 1 1 90 90 ILE C C 84 174.164 174.164 176.845 -2.681 17610 18564 1 20 . 1 1 90 90 ILE CA C 84 63.169 63.169 64.243 -1.074 17610 18565 1 20 . 1 1 90 90 ILE CB C 84 38.174 38.174 37.614 0.560 17610 18566 1 20 . 1 1 90 90 ILE H H 84 8.461 8.461 7.655 0.806 17610 18567 1 20 . 1 1 91 91 ASN N N 85 118.240 118.240 117.464 0.776 17610 18568 1 20 . 1 1 91 91 ASN HA H 85 5.049 5.049 4.792 0.257 17610 18569 1 20 . 1 1 91 91 ASN C C 85 174.583 174.583 174.832 -0.249 17610 18570 1 20 . 1 1 91 91 ASN CA C 85 52.161 52.161 53.720 -1.559 17610 18571 1 20 . 1 1 91 91 ASN CB C 85 38.132 38.132 39.082 -0.950 17610 18572 1 20 . 1 1 91 91 ASN H H 85 7.906 7.906 8.486 -0.580 17610 18573 1 20 . 1 1 92 92 ASN N N 86 120.345 120.345 118.504 1.841 17610 18574 1 20 . 1 1 92 92 ASN HA H 86 5.080 5.080 4.997 0.083 17610 18575 1 20 . 1 1 92 92 ASN C C 86 175.090 175.090 175.163 -0.073 17610 18576 1 20 . 1 1 92 92 ASN CA C 86 52.041 52.041 52.071 -0.030 17610 18577 1 20 . 1 1 92 92 ASN CB C 86 39.203 39.203 39.582 -0.379 17610 18578 1 20 . 1 1 92 92 ASN H H 86 7.931 7.931 7.819 0.112 17610 18579 1 20 . 1 1 93 93 THR N N 87 125.665 125.665 120.096 5.569 17610 18580 1 20 . 1 1 93 93 THR HA H 87 3.772 3.772 4.071 -0.299 17610 18581 1 20 . 1 1 93 93 THR C C 87 176.012 176.012 176.104 -0.092 17610 18582 1 20 . 1 1 93 93 THR CA C 87 66.753 66.753 66.448 0.305 17610 18583 1 20 . 1 1 93 93 THR CB C 87 68.400 68.400 68.952 -0.552 17610 18584 1 20 . 1 1 93 93 THR H H 87 9.272 9.272 8.841 0.431 17610 18585 1 20 . 1 1 94 94 LYS N N 88 125.404 125.404 121.101 4.303 17610 18586 1 20 . 1 1 94 94 LYS HA H 88 4.186 4.186 4.210 -0.024 17610 18587 1 20 . 1 1 94 94 LYS C C 88 178.027 178.027 178.668 -0.641 17610 18588 1 20 . 1 1 94 94 LYS CA C 88 59.359 59.359 59.656 -0.297 17610 18589 1 20 . 1 1 94 94 LYS CB C 88 31.292 31.292 32.246 -0.954 17610 18590 1 20 . 1 1 94 94 LYS H H 88 8.456 8.456 8.149 0.307 17610 18591 1 20 . 1 1 95 95 SER N N 89 115.491 115.491 115.126 0.365 17610 18592 1 20 . 1 1 95 95 SER HA H 89 4.188 4.188 4.542 -0.354 17610 18593 1 20 . 1 1 95 95 SER C C 89 175.751 175.751 176.568 -0.817 17610 18594 1 20 . 1 1 95 95 SER CA C 89 61.751 61.751 61.478 0.273 17610 18595 1 20 . 1 1 95 95 SER CB C 89 63.530 63.530 63.343 0.187 17610 18596 1 20 . 1 1 95 95 SER H H 89 7.970 7.970 7.916 0.054 17610 18597 1 20 . 1 1 96 96 PHE N N 90 125.899 125.899 122.633 3.266 17610 18598 1 20 . 1 1 96 96 PHE HA H 90 4.037 4.037 4.284 -0.247 17610 18599 1 20 . 1 1 96 96 PHE C C 90 177.267 177.267 176.793 0.474 17610 18600 1 20 . 1 1 96 96 PHE CA C 90 59.688 59.688 59.693 -0.005 17610 18601 1 20 . 1 1 96 96 PHE CB C 90 40.175 40.175 38.987 1.188 17610 18602 1 20 . 1 1 96 96 PHE H H 90 7.419 7.419 7.869 -0.450 17610 18603 1 20 . 1 1 97 97 GLU N N 91 122.834 122.834 117.157 5.677 17610 18604 1 20 . 1 1 97 97 GLU HA H 91 3.787 3.787 3.889 -0.102 17610 18605 1 20 . 1 1 97 97 GLU C C 91 179.628 179.628 178.081 1.547 17610 18606 1 20 . 1 1 97 97 GLU CA C 91 59.004 59.004 59.145 -0.141 17610 18607 1 20 . 1 1 97 97 GLU CB C 91 29.261 29.261 29.491 -0.230 17610 18608 1 20 . 1 1 97 97 GLU H H 91 8.449 8.449 7.716 0.733 17610 18609 1 20 . 1 1 98 98 ASP N N 92 118.617 118.617 120.393 -1.776 17610 18610 1 20 . 1 1 98 98 ASP HA H 92 4.553 4.553 4.447 0.106 17610 18611 1 20 . 1 1 98 98 ASP C C 92 177.582 177.582 178.648 -1.066 17610 18612 1 20 . 1 1 98 98 ASP CA C 92 56.171 56.171 56.940 -0.769 17610 18613 1 20 . 1 1 98 98 ASP CB C 92 41.184 41.184 40.859 0.325 17610 18614 1 20 . 1 1 98 98 ASP H H 92 8.492 8.492 7.766 0.726 17610 18615 1 20 . 1 1 99 99 ILE N N 93 121.939 121.939 118.934 3.005 17610 18616 1 20 . 1 1 99 99 ILE HA H 93 3.954 3.954 3.994 -0.040 17610 18617 1 20 . 1 1 99 99 ILE C C 93 177.442 177.442 177.738 -0.296 17610 18618 1 20 . 1 1 99 99 ILE CA C 93 62.370 62.370 63.240 -0.870 17610 18619 1 20 . 1 1 99 99 ILE CB C 93 34.570 34.570 36.567 -1.997 17610 18620 1 20 . 1 1 99 99 ILE H H 93 7.583 7.583 8.114 -0.531 17610 18621 1 20 . 1 1 100 100 HIS N N 94 118.387 118.387 119.214 -0.827 17610 18622 1 20 . 1 1 100 100 HIS HA H 94 4.273 4.273 4.237 0.036 17610 18623 1 20 . 1 1 100 100 HIS C C 94 177.345 177.345 176.835 0.510 17610 18624 1 20 . 1 1 100 100 HIS CA C 94 60.090 60.090 60.198 -0.108 17610 18625 1 20 . 1 1 100 100 HIS CB C 94 30.512 30.512 30.064 0.448 17610 18626 1 20 . 1 1 100 100 HIS H H 94 7.799 7.799 7.818 -0.019 17610 18627 1 20 . 1 1 101 101 GLN N N 95 117.673 117.673 118.576 -0.903 17610 18628 1 20 . 1 1 101 101 GLN HA H 95 3.941 3.941 3.855 0.086 17610 18629 1 20 . 1 1 101 101 GLN C C 95 179.155 179.155 178.442 0.713 17610 18630 1 20 . 1 1 101 101 GLN CA C 95 58.371 58.371 58.336 0.035 17610 18631 1 20 . 1 1 101 101 GLN CB C 95 27.807 27.807 27.896 -0.089 17610 18632 1 20 . 1 1 101 101 GLN H H 95 7.468 7.468 7.703 -0.235 17610 18633 1 20 . 1 1 102 102 TYR N N 96 120.407 120.407 120.679 -0.272 17610 18634 1 20 . 1 1 102 102 TYR HA H 96 4.064 4.064 4.151 -0.087 17610 18635 1 20 . 1 1 102 102 TYR C C 96 177.660 177.660 178.177 -0.517 17610 18636 1 20 . 1 1 102 102 TYR CA C 96 62.847 62.847 60.813 2.034 17610 18637 1 20 . 1 1 102 102 TYR CB C 96 37.795 37.795 38.176 -0.381 17610 18638 1 20 . 1 1 102 102 TYR H H 96 7.600 7.600 8.417 -0.817 17610 18639 1 20 . 1 1 103 103 ARG N N 97 119.974 119.974 118.813 1.161 17610 18640 1 20 . 1 1 103 103 ARG HA H 97 3.616 3.616 3.751 -0.135 17610 18641 1 20 . 1 1 103 103 ARG C C 97 177.618 177.618 178.502 -0.884 17610 18642 1 20 . 1 1 103 103 ARG CA C 97 59.938 59.938 59.432 0.506 17610 18643 1 20 . 1 1 103 103 ARG CB C 97 28.599 28.599 29.502 -0.903 17610 18644 1 20 . 1 1 103 103 ARG H H 97 8.395 8.395 7.856 0.539 17610 18645 1 20 . 1 1 104 104 GLU N N 98 118.351 118.351 118.388 -0.037 17610 18646 1 20 . 1 1 104 104 GLU HA H 98 3.781 3.781 3.826 -0.045 17610 18647 1 20 . 1 1 104 104 GLU C C 98 178.982 178.982 178.858 0.124 17610 18648 1 20 . 1 1 104 104 GLU CA C 98 58.900 58.900 59.393 -0.493 17610 18649 1 20 . 1 1 104 104 GLU CB C 98 29.435 29.435 29.059 0.376 17610 18650 1 20 . 1 1 104 104 GLU H H 98 7.970 7.970 7.523 0.447 17610 18651 1 20 . 1 1 105 105 GLN N N 99 121.350 121.350 117.746 3.604 17610 18652 1 20 . 1 1 105 105 GLN HA H 99 3.946 3.946 4.001 -0.055 17610 18653 1 20 . 1 1 105 105 GLN C C 99 177.701 177.701 178.149 -0.448 17610 18654 1 20 . 1 1 105 105 GLN CA C 99 59.037 59.037 58.843 0.194 17610 18655 1 20 . 1 1 105 105 GLN CB C 99 27.938 27.938 28.648 -0.710 17610 18656 1 20 . 1 1 105 105 GLN H H 99 7.907 7.907 7.729 0.178 17610 18657 1 20 . 1 1 106 106 ILE N N 100 121.310 121.310 119.767 1.543 17610 18658 1 20 . 1 1 106 106 ILE HA H 100 3.177 3.177 3.406 -0.229 17610 18659 1 20 . 1 1 106 106 ILE C C 100 177.199 177.199 178.023 -0.824 17610 18660 1 20 . 1 1 106 106 ILE CA C 100 65.682 65.682 64.496 1.186 17610 18661 1 20 . 1 1 106 106 ILE CB C 100 37.874 37.874 37.212 0.662 17610 18662 1 20 . 1 1 106 106 ILE H H 100 7.920 7.920 7.166 0.754 17610 18663 1 20 . 1 1 107 107 LYS N N 101 118.584 118.584 119.980 -1.396 17610 18664 1 20 . 1 1 107 107 LYS HA H 101 3.951 3.951 4.177 -0.226 17610 18665 1 20 . 1 1 107 107 LYS C C 101 179.476 179.476 179.395 0.081 17610 18666 1 20 . 1 1 107 107 LYS CA C 101 59.571 59.571 58.219 1.352 17610 18667 1 20 . 1 1 107 107 LYS CB C 101 32.227 32.227 31.349 0.878 17610 18668 1 20 . 1 1 107 107 LYS H H 101 7.782 7.782 7.507 0.275 17610 18669 1 20 . 1 1 108 108 ARG N N 102 119.152 119.152 118.956 0.196 17610 18670 1 20 . 1 1 108 108 ARG HA H 102 4.082 4.082 3.972 0.110 17610 18671 1 20 . 1 1 108 108 ARG C C 102 179.582 179.582 178.498 1.084 17610 18672 1 20 . 1 1 108 108 ARG CA C 102 58.946 58.946 59.099 -0.153 17610 18673 1 20 . 1 1 108 108 ARG CB C 102 30.097 30.097 30.170 -0.073 17610 18674 1 20 . 1 1 108 108 ARG H H 102 7.777 7.777 7.334 0.443 17610 18675 1 20 . 1 1 109 109 VAL N N 103 119.544 119.544 118.889 0.655 17610 18676 1 20 . 1 1 109 109 VAL HA H 103 3.837 3.837 3.728 0.109 17610 18677 1 20 . 1 1 109 109 VAL C C 103 177.919 177.919 178.075 -0.156 17610 18678 1 20 . 1 1 109 109 VAL CA C 103 65.393 65.393 65.329 0.064 17610 18679 1 20 . 1 1 109 109 VAL CB C 103 31.599 31.599 31.537 0.062 17610 18680 1 20 . 1 1 109 109 VAL H H 103 8.282 8.282 7.505 0.777 17610 18681 1 20 . 1 1 110 110 LYS N N 104 117.592 117.592 117.371 0.221 17610 18682 1 20 . 1 1 110 110 LYS HA H 104 4.269 4.269 4.204 0.065 17610 18683 1 20 . 1 1 110 110 LYS C C 104 175.878 175.878 176.462 -0.584 17610 18684 1 20 . 1 1 110 110 LYS CA C 104 54.797 54.797 55.955 -1.158 17610 18685 1 20 . 1 1 110 110 LYS CB C 104 30.687 30.687 32.502 -1.815 17610 18686 1 20 . 1 1 110 110 LYS H H 104 8.117 8.117 8.267 -0.150 17610 18687 1 20 . 1 1 111 111 ASP N N 105 122.118 122.118 117.411 4.707 17610 18688 1 20 . 1 1 111 111 ASP HA H 105 4.306 4.306 4.404 -0.098 17610 18689 1 20 . 1 1 111 111 ASP C C 105 174.496 174.496 174.750 -0.254 17610 18690 1 20 . 1 1 111 111 ASP CA C 105 54.442 54.442 55.319 -0.877 17610 18691 1 20 . 1 1 111 111 ASP CB C 105 39.792 39.792 39.364 0.428 17610 18692 1 20 . 1 1 111 111 ASP H H 105 7.958 7.958 7.938 0.020 17610 18693 1 20 . 1 1 112 112 SER N N 106 110.372 110.372 110.754 -0.382 17610 18694 1 20 . 1 1 112 112 SER HA H 106 4.565 4.565 4.776 -0.211 17610 18695 1 20 . 1 1 112 112 SER C C 106 172.985 172.985 173.948 -0.963 17610 18696 1 20 . 1 1 112 112 SER CA C 106 56.779 56.779 56.884 -0.105 17610 18697 1 20 . 1 1 112 112 SER CB C 106 65.259 65.259 66.518 -1.259 17610 18698 1 20 . 1 1 112 112 SER H H 106 7.539 7.539 7.626 -0.087 17610 18699 1 20 . 1 1 113 113 ASP N N 107 123.301 123.301 120.914 2.387 17610 18700 1 20 . 1 1 113 113 ASP HA H 107 4.665 4.665 4.375 0.290 17610 18701 1 20 . 1 1 113 113 ASP C C 107 176.066 176.066 175.418 0.648 17610 18702 1 20 . 1 1 113 113 ASP CA C 107 54.267 54.267 55.662 -1.395 17610 18703 1 20 . 1 1 113 113 ASP CB C 107 41.837 41.837 40.942 0.895 17610 18704 1 20 . 1 1 113 113 ASP H H 107 8.385 8.385 8.702 -0.317 17610 18705 1 20 . 1 1 114 114 ASP N N 108 122.347 122.347 118.227 4.120 17610 18706 1 20 . 1 1 114 114 ASP HA H 108 4.882 4.882 4.750 0.132 17610 18707 1 20 . 1 1 114 114 ASP C C 108 174.386 174.386 175.817 -1.431 17610 18708 1 20 . 1 1 114 114 ASP CA C 108 53.143 53.143 52.891 0.252 17610 18709 1 20 . 1 1 114 114 ASP CB C 108 41.323 41.323 40.205 1.118 17610 18710 1 20 . 1 1 114 114 ASP H H 108 8.404 8.404 8.262 0.141 17610 18711 1 20 . 1 1 115 115 VAL N N 109 123.609 123.609 117.283 6.326 17610 18712 1 20 . 1 1 115 115 VAL HA H 109 4.337 4.337 4.718 -0.381 17610 18713 1 20 . 1 1 115 115 VAL CA C 109 58.984 58.984 57.970 1.014 17610 18714 1 20 . 1 1 115 115 VAL CB C 109 34.932 34.932 33.447 1.485 17610 18715 1 20 . 1 1 115 115 VAL H H 109 7.649 7.649 7.520 0.129 17610 18716 1 20 . 1 1 116 116 PRO HA H 110 4.430 4.430 4.639 -0.209 17610 18717 1 20 . 1 1 116 116 PRO C C 110 175.942 175.942 175.737 0.205 17610 18718 1 20 . 1 1 116 116 PRO CA C 110 63.872 63.872 63.514 0.358 17610 18719 1 20 . 1 1 116 116 PRO CB C 110 32.120 32.120 30.922 1.198 17610 18720 1 20 . 1 1 117 117 MET N N 111 124.020 124.020 119.553 4.467 17610 18721 1 20 . 1 1 117 117 MET HA H 111 5.777 5.777 5.468 0.309 17610 18722 1 20 . 1 1 117 117 MET C C 111 173.737 173.737 174.022 -0.285 17610 18723 1 20 . 1 1 117 117 MET CA C 111 55.094 55.094 54.547 0.547 17610 18724 1 20 . 1 1 117 117 MET CB C 111 37.889 37.889 36.986 0.903 17610 18725 1 20 . 1 1 117 117 MET H H 111 8.274 8.274 7.828 0.446 17610 18726 1 20 . 1 1 118 118 VAL N N 112 118.747 118.747 115.530 3.217 17610 18727 1 20 . 1 1 118 118 VAL HA H 112 4.341 4.341 4.546 -0.205 17610 18728 1 20 . 1 1 118 118 VAL C C 112 173.171 173.171 173.592 -0.421 17610 18729 1 20 . 1 1 118 118 VAL CA C 112 60.943 60.943 60.484 0.459 17610 18730 1 20 . 1 1 118 118 VAL CB C 112 37.030 37.030 36.838 0.192 17610 18731 1 20 . 1 1 118 118 VAL H H 112 8.119 8.119 8.417 -0.298 17610 18732 1 20 . 1 1 119 119 LEU N N 113 129.931 129.931 126.947 2.984 17610 18733 1 20 . 1 1 119 119 LEU HA H 113 5.157 5.157 5.120 0.037 17610 18734 1 20 . 1 1 119 119 LEU C C 113 173.496 173.496 175.059 -1.563 17610 18735 1 20 . 1 1 119 119 LEU CA C 113 53.828 53.828 53.106 0.722 17610 18736 1 20 . 1 1 119 119 LEU CB C 113 43.876 43.876 43.518 0.358 17610 18737 1 20 . 1 1 119 119 LEU H H 113 8.918 8.918 8.183 0.735 17610 18738 1 20 . 1 1 120 120 VAL N N 114 129.371 129.371 128.286 1.085 17610 18739 1 20 . 1 1 120 120 VAL HA H 114 5.117 5.117 4.772 0.345 17610 18740 1 20 . 1 1 120 120 VAL C C 114 173.667 173.667 175.665 -1.998 17610 18741 1 20 . 1 1 120 120 VAL CA C 114 60.124 60.124 61.119 -0.995 17610 18742 1 20 . 1 1 120 120 VAL CB C 114 35.225 35.225 32.431 2.794 17610 18743 1 20 . 1 1 120 120 VAL H H 114 9.173 9.173 8.980 0.193 17610 18744 1 20 . 1 1 121 121 GLY N N 115 115.789 115.789 115.676 0.113 17610 18745 1 20 . 1 1 121 121 GLY C C 115 171.603 171.603 173.909 -2.306 17610 18746 1 20 . 1 1 121 121 GLY CA C 115 45.256 45.256 43.657 1.599 17610 18747 1 20 . 1 1 121 121 GLY H H 115 8.046 8.046 8.903 -0.857 17610 18748 1 20 . 1 1 122 122 ASN N N 116 122.349 122.349 122.238 0.111 17610 18749 1 20 . 1 1 122 122 ASN HA H 116 5.620 5.620 4.488 1.132 17610 18750 1 20 . 1 1 122 122 ASN C C 116 174.732 174.732 175.438 -0.706 17610 18751 1 20 . 1 1 122 122 ASN CA C 116 51.492 51.492 53.103 -1.611 17610 18752 1 20 . 1 1 122 122 ASN CB C 116 41.323 41.323 39.609 1.714 17610 18753 1 20 . 1 1 122 122 ASN H H 116 8.756 8.756 7.425 1.331 17610 18754 1 20 . 1 1 123 123 LYS N N 117 113.297 113.297 114.723 -1.426 17610 18755 1 20 . 1 1 123 123 LYS HA H 117 4.280 4.280 3.908 0.372 17610 18756 1 20 . 1 1 123 123 LYS C C 117 177.324 177.324 175.257 2.067 17610 18757 1 20 . 1 1 123 123 LYS CA C 117 57.273 57.273 57.358 -0.085 17610 18758 1 20 . 1 1 123 123 LYS CB C 117 29.775 29.775 29.905 -0.130 17610 18759 1 20 . 1 1 123 123 LYS H H 117 7.342 7.342 8.758 -1.416 17610 18760 1 20 . 1 1 124 124 CYS N N 118 115.340 115.340 117.206 -1.866 17610 18761 1 20 . 1 1 124 124 CYS HA H 118 4.292 4.292 4.249 0.043 17610 18762 1 20 . 1 1 124 124 CYS C C 118 173.325 173.325 175.316 -1.991 17610 18763 1 20 . 1 1 124 124 CYS CA C 118 60.698 60.698 59.490 1.208 17610 18764 1 20 . 1 1 124 124 CYS CB C 118 26.387 26.387 27.967 -1.580 17610 18765 1 20 . 1 1 124 124 CYS H H 118 8.763 8.763 7.934 0.829 17610 18766 1 20 . 1 1 125 125 ASP N N 119 118.603 118.603 119.793 -1.190 17610 18767 1 20 . 1 1 125 125 ASP HA H 119 4.476 4.476 4.541 -0.065 17610 18768 1 20 . 1 1 125 125 ASP C C 119 175.464 175.464 176.082 -0.618 17610 18769 1 20 . 1 1 125 125 ASP CA C 119 53.951 53.951 54.956 -1.005 17610 18770 1 20 . 1 1 125 125 ASP CB C 119 41.323 41.323 40.839 0.484 17610 18771 1 20 . 1 1 125 125 ASP H H 119 8.613 8.613 8.461 0.152 17610 18772 1 20 . 1 1 126 126 LEU N N 120 122.098 122.098 120.263 1.835 17610 18773 1 20 . 1 1 126 126 LEU HA H 120 4.241 4.241 4.194 0.047 17610 18774 1 20 . 1 1 126 126 LEU C C 120 176.420 176.420 177.362 -0.942 17610 18775 1 20 . 1 1 126 126 LEU CA C 120 54.723 54.723 55.209 -0.485 17610 18776 1 20 . 1 1 126 126 LEU CB C 120 41.837 41.837 42.249 -0.412 17610 18777 1 20 . 1 1 126 126 LEU H H 120 7.802 7.802 7.593 0.209 17610 18778 1 20 . 1 1 127 127 ALA N N 121 123.959 123.959 123.134 0.825 17610 18779 1 20 . 1 1 127 127 ALA HA H 121 4.214 4.214 4.421 -0.207 17610 18780 1 20 . 1 1 127 127 ALA C C 121 178.717 178.717 176.456 2.261 17610 18781 1 20 . 1 1 127 127 ALA CA C 121 53.179 53.179 52.271 0.908 17610 18782 1 20 . 1 1 127 127 ALA CB C 121 18.871 18.871 19.208 -0.337 17610 18783 1 20 . 1 1 127 127 ALA H H 121 8.160 8.160 8.494 -0.334 17610 18784 1 20 . 1 1 128 128 ALA N N 122 123.078 123.078 121.536 1.542 17610 18785 1 20 . 1 1 128 128 ALA HA H 122 4.524 4.524 4.461 0.063 17610 18786 1 20 . 1 1 128 128 ALA C C 122 175.272 175.272 176.585 -1.313 17610 18787 1 20 . 1 1 128 128 ALA CA C 122 51.259 51.259 51.516 -0.257 17610 18788 1 20 . 1 1 128 128 ALA CB C 122 17.623 17.623 19.548 -1.925 17610 18789 1 20 . 1 1 128 128 ALA H H 122 7.698 7.698 7.656 0.042 17610 18790 1 20 . 1 1 129 129 ARG N N 123 121.454 121.454 122.843 -1.389 17610 18791 1 20 . 1 1 129 129 ARG HA H 123 4.093 4.093 4.200 -0.107 17610 18792 1 20 . 1 1 129 129 ARG C C 123 176.271 176.271 176.306 -0.035 17610 18793 1 20 . 1 1 129 129 ARG CA C 123 55.596 55.596 56.778 -1.182 17610 18794 1 20 . 1 1 129 129 ARG CB C 123 32.696 32.696 28.794 3.902 17610 18795 1 20 . 1 1 129 129 ARG H H 123 7.992 7.992 8.336 -0.344 17610 18796 1 20 . 1 1 130 130 THR N N 124 115.617 115.617 113.784 1.833 17610 18797 1 20 . 1 1 130 130 THR HA H 124 4.564 4.564 4.216 0.348 17610 18798 1 20 . 1 1 130 130 THR C C 124 174.119 174.119 175.420 -1.301 17610 18799 1 20 . 1 1 130 130 THR CA C 124 61.746 61.746 63.804 -2.058 17610 18800 1 20 . 1 1 130 130 THR CB C 124 69.094 69.094 69.690 -0.596 17610 18801 1 20 . 1 1 130 130 THR H H 124 9.145 9.145 8.195 0.950 17610 18802 1 20 . 1 1 131 131 VAL N N 125 125.688 125.688 123.867 1.821 17610 18803 1 20 . 1 1 131 131 VAL HA H 125 4.015 4.015 4.180 -0.165 17610 18804 1 20 . 1 1 131 131 VAL C C 125 175.658 175.658 174.295 1.363 17610 18805 1 20 . 1 1 131 131 VAL CA C 125 61.373 61.373 61.084 0.289 17610 18806 1 20 . 1 1 131 131 VAL CB C 125 33.147 33.147 32.824 0.323 17610 18807 1 20 . 1 1 131 131 VAL H H 125 7.618 7.618 7.897 -0.279 17610 18808 1 20 . 1 1 132 132 GLU N N 126 128.319 128.319 125.632 2.687 17610 18809 1 20 . 1 1 132 132 GLU HA H 126 4.228 4.228 4.319 -0.091 17610 18810 1 20 . 1 1 132 132 GLU C C 126 177.986 177.986 177.518 0.468 17610 18811 1 20 . 1 1 132 132 GLU CA C 126 56.323 56.323 56.183 0.140 17610 18812 1 20 . 1 1 132 132 GLU CB C 126 30.158 30.158 30.519 -0.361 17610 18813 1 20 . 1 1 132 132 GLU H H 126 8.727 8.727 8.456 0.271 17610 18814 1 20 . 1 1 133 133 SER N N 127 122.970 122.970 116.135 6.835 17610 18815 1 20 . 1 1 133 133 SER HA H 127 4.074 4.074 4.127 -0.053 17610 18816 1 20 . 1 1 133 133 SER C C 127 176.633 176.633 176.284 0.349 17610 18817 1 20 . 1 1 133 133 SER CA C 127 62.598 62.598 61.168 1.430 17610 18818 1 20 . 1 1 133 133 SER CB C 127 62.511 62.511 63.099 -0.588 17610 18819 1 20 . 1 1 133 133 SER H H 127 9.421 9.421 8.954 0.467 17610 18820 1 20 . 1 1 134 134 ARG N N 128 119.141 119.141 122.735 -3.594 17610 18821 1 20 . 1 1 134 134 ARG HA H 128 4.028 4.028 3.988 0.040 17610 18822 1 20 . 1 1 134 134 ARG C C 128 177.739 177.739 178.230 -0.491 17610 18823 1 20 . 1 1 134 134 ARG CA C 128 58.785 58.785 58.526 0.259 17610 18824 1 20 . 1 1 134 134 ARG CB C 128 29.752 29.752 29.191 0.561 17610 18825 1 20 . 1 1 134 134 ARG H H 128 8.675 8.675 8.237 0.438 17610 18826 1 20 . 1 1 135 135 GLN N N 129 118.050 118.050 118.943 -0.893 17610 18827 1 20 . 1 1 135 135 GLN HA H 129 4.091 4.091 3.995 0.096 17610 18828 1 20 . 1 1 135 135 GLN C C 129 179.009 179.009 177.805 1.204 17610 18829 1 20 . 1 1 135 135 GLN CA C 129 58.389 58.389 58.947 -0.558 17610 18830 1 20 . 1 1 135 135 GLN CB C 129 28.916 28.916 28.414 0.502 17610 18831 1 20 . 1 1 135 135 GLN H H 129 6.796 6.796 7.668 -0.872 17610 18832 1 20 . 1 1 136 136 ALA N N 130 124.769 124.769 121.368 3.401 17610 18833 1 20 . 1 1 136 136 ALA HA H 130 3.933 3.933 3.705 0.228 17610 18834 1 20 . 1 1 136 136 ALA C C 130 178.155 178.155 179.532 -1.377 17610 18835 1 20 . 1 1 136 136 ALA CA C 130 54.760 54.760 54.678 0.082 17610 18836 1 20 . 1 1 136 136 ALA CB C 130 18.546 18.546 17.826 0.720 17610 18837 1 20 . 1 1 136 136 ALA H H 130 7.017 7.017 7.398 -0.381 17610 18838 1 20 . 1 1 137 137 GLN N N 131 119.215 119.215 117.285 1.930 17610 18839 1 20 . 1 1 137 137 GLN HA H 131 3.720 3.720 3.740 -0.020 17610 18840 1 20 . 1 1 137 137 GLN C C 131 179.387 179.387 178.245 1.142 17610 18841 1 20 . 1 1 137 137 GLN CA C 131 58.815 58.815 59.296 -0.481 17610 18842 1 20 . 1 1 137 137 GLN CB C 131 28.503 28.503 28.424 0.079 17610 18843 1 20 . 1 1 137 137 GLN H H 131 8.602 8.602 8.225 0.377 17610 18844 1 20 . 1 1 138 138 ASP N N 132 121.298 121.298 120.737 0.561 17610 18845 1 20 . 1 1 138 138 ASP HA H 132 4.371 4.371 4.356 0.015 17610 18846 1 20 . 1 1 138 138 ASP C C 132 178.855 178.855 178.560 0.295 17610 18847 1 20 . 1 1 138 138 ASP CA C 132 57.425 57.425 57.249 0.176 17610 18848 1 20 . 1 1 138 138 ASP CB C 132 40.860 40.860 40.777 0.083 17610 18849 1 20 . 1 1 138 138 ASP H H 132 8.203 8.203 7.760 0.443 17610 18850 1 20 . 1 1 139 139 LEU N N 133 124.786 124.786 120.796 3.990 17610 18851 1 20 . 1 1 139 139 LEU HA H 133 3.888 3.888 4.015 -0.127 17610 18852 1 20 . 1 1 139 139 LEU C C 133 178.953 178.953 178.009 0.944 17610 18853 1 20 . 1 1 139 139 LEU CA C 133 57.827 57.827 57.673 0.154 17610 18854 1 20 . 1 1 139 139 LEU CB C 133 41.837 41.837 41.929 -0.092 17610 18855 1 20 . 1 1 139 139 LEU H H 133 7.485 7.485 7.279 0.206 17610 18856 1 20 . 1 1 140 140 ALA N N 134 123.038 123.038 121.648 1.390 17610 18857 1 20 . 1 1 140 140 ALA HA H 134 3.783 3.783 4.082 -0.299 17610 18858 1 20 . 1 1 140 140 ALA C C 134 179.902 179.902 179.308 0.594 17610 18859 1 20 . 1 1 140 140 ALA CA C 134 55.832 55.832 55.510 0.322 17610 18860 1 20 . 1 1 140 140 ALA CB C 134 18.120 18.120 18.478 -0.358 17610 18861 1 20 . 1 1 140 140 ALA H H 134 8.426 8.426 7.974 0.452 17610 18862 1 20 . 1 1 141 141 ARG N N 135 119.537 119.537 117.296 2.241 17610 18863 1 20 . 1 1 141 141 ARG HA H 135 4.194 4.194 3.983 0.211 17610 18864 1 20 . 1 1 141 141 ARG C C 135 180.037 180.037 178.496 1.541 17610 18865 1 20 . 1 1 141 141 ARG CA C 135 59.331 59.331 59.488 -0.157 17610 18866 1 20 . 1 1 141 141 ARG CB C 135 29.864 29.864 30.155 -0.291 17610 18867 1 20 . 1 1 141 141 ARG H H 135 8.459 8.459 8.319 0.140 17610 18868 1 20 . 1 1 142 142 SER N N 136 118.958 118.958 113.088 5.870 17610 18869 1 20 . 1 1 142 142 SER HA H 136 4.277 4.277 4.222 0.055 17610 18870 1 20 . 1 1 142 142 SER C C 136 176.127 176.127 175.494 0.633 17610 18871 1 20 . 1 1 142 142 SER CA C 136 61.509 61.509 60.593 0.916 17610 18872 1 20 . 1 1 142 142 SER CB C 136 62.529 62.529 62.682 -0.153 17610 18873 1 20 . 1 1 142 142 SER H H 136 7.944 7.944 7.485 0.459 17610 18874 1 20 . 1 1 143 143 TYR N N 137 121.309 121.309 119.074 2.235 17610 18875 1 20 . 1 1 143 143 TYR HA H 137 4.907 4.907 4.543 0.364 17610 18876 1 20 . 1 1 143 143 TYR C C 137 176.279 176.279 176.120 0.159 17610 18877 1 20 . 1 1 143 143 TYR CA C 137 54.737 54.737 57.362 -2.625 17610 18878 1 20 . 1 1 143 143 TYR CB C 137 38.830 38.830 38.845 -0.015 17610 18879 1 20 . 1 1 143 143 TYR H H 137 7.623 7.623 7.158 0.465 17610 18880 1 20 . 1 1 144 144 GLY N N 138 112.193 112.193 107.246 4.947 17610 18881 1 20 . 1 1 144 144 GLY C C 138 175.077 175.077 174.613 0.464 17610 18882 1 20 . 1 1 144 144 GLY CA C 138 46.439 46.439 45.165 1.274 17610 18883 1 20 . 1 1 144 144 GLY H H 138 8.328 8.328 7.980 0.348 17610 18884 1 20 . 1 1 145 145 ILE N N 139 114.227 114.227 116.419 -2.192 17610 18885 1 20 . 1 1 145 145 ILE HA H 139 5.241 5.241 4.832 0.409 17610 18886 1 20 . 1 1 145 145 ILE CA C 139 58.420 58.420 58.057 0.363 17610 18887 1 20 . 1 1 145 145 ILE CB C 139 38.543 38.543 38.979 -0.436 17610 18888 1 20 . 1 1 145 145 ILE H H 139 8.059 8.059 7.651 0.408 17610 18889 1 20 . 1 1 146 146 PRO HA H 140 4.627 4.627 4.496 0.131 17610 18890 1 20 . 1 1 146 146 PRO C C 140 174.570 174.570 175.304 -0.734 17610 18891 1 20 . 1 1 146 146 PRO CA C 140 62.362 62.362 62.466 -0.104 17610 18892 1 20 . 1 1 146 146 PRO CB C 140 33.057 33.057 32.547 0.510 17610 18893 1 20 . 1 1 147 147 TYR N N 141 121.135 121.135 119.518 1.617 17610 18894 1 20 . 1 1 147 147 TYR HA H 141 5.997 5.997 5.056 0.941 17610 18895 1 20 . 1 1 147 147 TYR C C 141 174.492 174.492 174.098 0.394 17610 18896 1 20 . 1 1 147 147 TYR CA C 141 54.912 54.912 57.204 -2.292 17610 18897 1 20 . 1 1 147 147 TYR CB C 141 40.972 40.972 41.161 -0.189 17610 18898 1 20 . 1 1 147 147 TYR H H 141 8.252 8.252 8.275 -0.023 17610 18899 1 20 . 1 1 148 148 ILE N N 142 131.362 131.362 126.984 4.378 17610 18900 1 20 . 1 1 148 148 ILE HA H 142 3.948 3.948 4.243 -0.295 17610 18901 1 20 . 1 1 148 148 ILE C C 142 172.977 172.977 174.030 -1.053 17610 18902 1 20 . 1 1 148 148 ILE CA C 142 59.383 59.383 59.591 -0.208 17610 18903 1 20 . 1 1 148 148 ILE CB C 142 42.260 42.260 42.412 -0.152 17610 18904 1 20 . 1 1 148 148 ILE H H 142 8.495 8.495 8.752 -0.257 17610 18905 1 20 . 1 1 149 149 GLU N N 143 125.874 125.874 123.913 1.961 17610 18906 1 20 . 1 1 149 149 GLU HA H 143 4.788 4.788 4.503 0.285 17610 18907 1 20 . 1 1 149 149 GLU C C 143 176.128 176.128 175.506 0.622 17610 18908 1 20 . 1 1 149 149 GLU CA C 143 55.647 55.647 55.427 0.220 17610 18909 1 20 . 1 1 149 149 GLU CB C 143 29.727 29.727 31.264 -1.536 17610 18910 1 20 . 1 1 149 149 GLU H H 143 7.827 7.827 8.560 -0.733 17610 18911 1 20 . 1 1 150 150 THR N N 144 113.629 113.629 112.741 0.888 17610 18912 1 20 . 1 1 150 150 THR HA H 144 5.081 5.081 5.225 -0.144 17610 18913 1 20 . 1 1 150 150 THR C C 144 176.136 176.136 172.910 3.226 17610 18914 1 20 . 1 1 150 150 THR CA C 144 59.464 59.464 59.516 -0.052 17610 18915 1 20 . 1 1 150 150 THR CB C 144 73.639 73.639 71.406 2.233 17610 18916 1 20 . 1 1 150 150 THR H H 144 8.800 8.800 8.015 0.785 17610 18917 1 20 . 1 1 151 151 SER N N 145 113.706 113.706 113.791 -0.085 17610 18918 1 20 . 1 1 151 151 SER HA H 145 4.883 4.883 5.102 -0.219 17610 18919 1 20 . 1 1 151 151 SER C C 145 175.707 175.707 173.590 2.117 17610 18920 1 20 . 1 1 151 151 SER CA C 145 57.438 57.438 57.146 0.292 17610 18921 1 20 . 1 1 151 151 SER CB C 145 64.470 64.470 66.290 -1.820 17610 18922 1 20 . 1 1 151 151 SER H H 145 8.807 8.807 7.975 0.832 17610 18923 1 20 . 1 1 152 152 ALA N N 146 133.500 133.500 127.486 6.014 17610 18924 1 20 . 1 1 152 152 ALA HA H 146 3.890 3.890 3.905 -0.015 17610 18925 1 20 . 1 1 152 152 ALA C C 146 175.632 175.632 177.487 -1.855 17610 18926 1 20 . 1 1 152 152 ALA CA C 146 54.416 54.416 54.609 -0.193 17610 18927 1 20 . 1 1 152 152 ALA CB C 146 18.605 18.605 18.378 0.227 17610 18928 1 20 . 1 1 152 152 ALA H H 146 9.134 9.134 8.281 0.853 17610 18929 1 20 . 1 1 153 153 LYS N N 147 117.223 117.223 117.910 -0.687 17610 18930 1 20 . 1 1 153 153 LYS HA H 147 2.616 2.616 4.378 -1.762 17610 18931 1 20 . 1 1 153 153 LYS C C 147 177.045 177.045 177.744 -0.699 17610 18932 1 20 . 1 1 153 153 LYS CA C 147 58.119 58.119 58.739 -0.620 17610 18933 1 20 . 1 1 153 153 LYS CB C 147 33.956 33.956 32.224 1.732 17610 18934 1 20 . 1 1 153 153 LYS H H 147 7.042 7.042 8.140 -1.098 17610 18935 1 20 . 1 1 154 154 THR N N 148 107.404 107.404 108.735 -1.331 17610 18936 1 20 . 1 1 154 154 THR HA H 148 4.157 4.157 4.273 -0.116 17610 18937 1 20 . 1 1 154 154 THR C C 148 175.979 175.979 174.207 1.772 17610 18938 1 20 . 1 1 154 154 THR CA C 148 61.489 61.489 62.459 -0.970 17610 18939 1 20 . 1 1 154 154 THR CB C 148 69.911 69.911 69.298 0.613 17610 18940 1 20 . 1 1 154 154 THR H H 148 7.721 7.721 7.729 -0.008 17610 18941 1 20 . 1 1 155 155 ARG N N 149 119.268 119.268 120.398 -1.130 17610 18942 1 20 . 1 1 155 155 ARG HA H 149 3.476 3.476 3.918 -0.442 17610 18943 1 20 . 1 1 155 155 ARG C C 149 175.481 175.481 174.010 1.471 17610 18944 1 20 . 1 1 155 155 ARG CA C 149 59.653 59.653 56.851 2.802 17610 18945 1 20 . 1 1 155 155 ARG CB C 149 30.445 30.445 28.191 2.254 17610 18946 1 20 . 1 1 155 155 ARG H H 149 7.814 7.814 7.974 -0.160 17610 18947 1 20 . 1 1 156 156 GLN N N 150 125.391 125.391 120.575 4.816 17610 18948 1 20 . 1 1 156 156 GLN HA H 150 4.065 4.065 4.467 -0.402 17610 18949 1 20 . 1 1 156 156 GLN C C 150 177.007 177.007 176.064 0.943 17610 18950 1 20 . 1 1 156 156 GLN CA C 150 57.433 57.433 55.111 2.322 17610 18951 1 20 . 1 1 156 156 GLN CB C 150 28.472 28.472 30.744 -2.272 17610 18952 1 20 . 1 1 156 156 GLN H H 150 7.833 7.833 7.597 0.236 17610 18953 1 20 . 1 1 157 157 GLY N N 151 116.380 116.380 114.460 1.920 17610 18954 1 20 . 1 1 157 157 GLY C C 151 173.581 173.581 174.800 -1.219 17610 18955 1 20 . 1 1 157 157 GLY CA C 151 46.945 46.945 46.595 0.350 17610 18956 1 20 . 1 1 157 157 GLY H H 151 8.936 8.936 9.039 -0.103 17610 18957 1 20 . 1 1 158 158 VAL N N 152 121.822 121.822 119.731 2.091 17610 18958 1 20 . 1 1 158 158 VAL HA H 152 3.221 3.221 3.514 -0.293 17610 18959 1 20 . 1 1 158 158 VAL C C 152 177.006 177.006 177.844 -0.838 17610 18960 1 20 . 1 1 158 158 VAL CA C 152 68.314 68.314 65.428 2.886 17610 18961 1 20 . 1 1 158 158 VAL CB C 152 31.473 31.473 31.675 -0.202 17610 18962 1 20 . 1 1 158 158 VAL H H 152 7.099 7.099 8.033 -0.934 17610 18963 1 20 . 1 1 159 159 GLU N N 153 118.087 118.087 118.030 0.057 17610 18964 1 20 . 1 1 159 159 GLU HA H 153 3.305 3.305 3.966 -0.661 17610 18965 1 20 . 1 1 159 159 GLU C C 153 177.163 177.163 178.433 -1.270 17610 18966 1 20 . 1 1 159 159 GLU CA C 153 60.407 60.407 59.880 0.527 17610 18967 1 20 . 1 1 159 159 GLU CB C 153 28.787 28.787 28.713 0.074 17610 18968 1 20 . 1 1 159 159 GLU H H 153 8.271 8.271 8.755 -0.484 17610 18969 1 20 . 1 1 160 160 ASP N N 154 117.624 117.624 120.002 -2.378 17610 18970 1 20 . 1 1 160 160 ASP HA H 154 4.205 4.205 4.520 -0.315 17610 18971 1 20 . 1 1 160 160 ASP C C 154 179.366 179.366 177.980 1.386 17610 18972 1 20 . 1 1 160 160 ASP CA C 154 57.288 57.288 57.569 -0.281 17610 18973 1 20 . 1 1 160 160 ASP CB C 154 40.040 40.040 40.444 -0.404 17610 18974 1 20 . 1 1 160 160 ASP H H 154 8.145 8.145 8.175 -0.030 17610 18975 1 20 . 1 1 161 161 ALA N N 155 125.270 125.270 121.424 3.846 17610 18976 1 20 . 1 1 161 161 ALA HA H 155 3.749 3.749 3.974 -0.225 17610 18977 1 20 . 1 1 161 161 ALA C C 155 177.684 177.684 179.639 -1.955 17610 18978 1 20 . 1 1 161 161 ALA CA C 155 56.295 56.295 54.639 1.656 17610 18979 1 20 . 1 1 161 161 ALA CB C 155 17.397 17.397 18.284 -0.887 17610 18980 1 20 . 1 1 161 161 ALA H H 155 8.603 8.603 7.363 1.240 17610 18981 1 20 . 1 1 162 162 PHE N N 156 113.772 113.772 117.561 -3.789 17610 18982 1 20 . 1 1 162 162 PHE HA H 156 3.912 3.912 4.109 -0.197 17610 18983 1 20 . 1 1 162 162 PHE C C 156 177.975 177.975 177.834 0.141 17610 18984 1 20 . 1 1 162 162 PHE CA C 156 62.851 62.851 61.222 1.629 17610 18985 1 20 . 1 1 162 162 PHE CB C 156 39.472 39.472 38.378 1.094 17610 18986 1 20 . 1 1 162 162 PHE H H 156 7.236 7.236 7.178 0.058 17610 18987 1 20 . 1 1 163 163 TYR N N 157 120.499 120.499 117.652 2.847 17610 18988 1 20 . 1 1 163 163 TYR HA H 157 4.355 4.355 4.189 0.166 17610 18989 1 20 . 1 1 163 163 TYR C C 157 179.097 179.097 178.327 0.770 17610 18990 1 20 . 1 1 163 163 TYR CA C 157 58.309 58.309 60.230 -1.921 17610 18991 1 20 . 1 1 163 163 TYR CB C 157 35.012 35.012 37.351 -2.339 17610 18992 1 20 . 1 1 163 163 TYR H H 157 9.573 9.573 8.544 1.029 17610 18993 1 20 . 1 1 164 164 THR N N 158 118.206 118.206 116.187 2.019 17610 18994 1 20 . 1 1 164 164 THR HA H 158 3.903 3.903 3.978 -0.075 17610 18995 1 20 . 1 1 164 164 THR C C 158 175.656 175.656 176.536 -0.880 17610 18996 1 20 . 1 1 164 164 THR CA C 158 67.484 67.484 66.351 1.133 17610 18997 1 20 . 1 1 164 164 THR CB C 158 67.819 67.819 68.139 -0.320 17610 18998 1 20 . 1 1 164 164 THR H H 158 8.538 8.538 8.095 0.443 17610 18999 1 20 . 1 1 165 165 LEU N N 159 122.864 122.864 122.072 0.792 17610 19000 1 20 . 1 1 165 165 LEU HA H 159 3.871 3.871 4.025 -0.154 17610 19001 1 20 . 1 1 165 165 LEU C C 159 177.513 177.513 178.101 -0.588 17610 19002 1 20 . 1 1 165 165 LEU CA C 159 57.991 57.991 58.111 -0.120 17610 19003 1 20 . 1 1 165 165 LEU CB C 159 40.181 40.181 41.631 -1.450 17610 19004 1 20 . 1 1 165 165 LEU H H 159 7.232 7.232 7.656 -0.424 17610 19005 1 20 . 1 1 166 166 VAL N N 160 120.322 120.322 119.025 1.297 17610 19006 1 20 . 1 1 166 166 VAL HA H 160 3.045 3.045 3.318 -0.273 17610 19007 1 20 . 1 1 166 166 VAL C C 160 177.474 177.474 178.172 -0.698 17610 19008 1 20 . 1 1 166 166 VAL CA C 160 67.389 67.389 66.320 1.069 17610 19009 1 20 . 1 1 166 166 VAL CB C 160 30.944 30.944 30.788 0.156 17610 19010 1 20 . 1 1 166 166 VAL H H 160 7.517 7.517 7.431 0.086 17610 19011 1 20 . 1 1 167 167 ARG N N 161 120.151 120.151 119.384 0.767 17610 19012 1 20 . 1 1 167 167 ARG HA H 161 3.772 3.772 3.905 -0.133 17610 19013 1 20 . 1 1 167 167 ARG C C 161 179.030 179.030 178.654 0.376 17610 19014 1 20 . 1 1 167 167 ARG CA C 161 60.935 60.935 59.871 1.064 17610 19015 1 20 . 1 1 167 167 ARG CB C 161 29.586 29.586 30.061 -0.475 17610 19016 1 20 . 1 1 167 167 ARG H H 161 8.044 8.044 7.703 0.341 17610 19017 1 20 . 1 1 168 168 GLU N N 162 119.201 119.201 120.068 -0.867 17610 19018 1 20 . 1 1 168 168 GLU HA H 162 4.050 4.050 4.154 -0.104 17610 19019 1 20 . 1 1 168 168 GLU C C 162 179.805 179.805 179.084 0.721 17610 19020 1 20 . 1 1 168 168 GLU CA C 162 58.867 58.867 59.098 -0.231 17610 19021 1 20 . 1 1 168 168 GLU CB C 162 30.330 30.330 29.243 1.087 17610 19022 1 20 . 1 1 168 168 GLU H H 162 8.171 8.171 7.563 0.608 17610 19023 1 20 . 1 1 169 169 ILE N N 163 123.244 123.244 119.988 3.256 17610 19024 1 20 . 1 1 169 169 ILE HA H 163 3.583 3.583 3.803 -0.220 17610 19025 1 20 . 1 1 169 169 ILE C C 163 178.906 178.906 178.454 0.452 17610 19026 1 20 . 1 1 169 169 ILE CA C 163 66.023 66.023 65.271 0.752 17610 19027 1 20 . 1 1 169 169 ILE CB C 163 38.204 38.204 37.822 0.382 17610 19028 1 20 . 1 1 169 169 ILE H H 163 8.174 8.174 8.158 0.016 17610 19029 1 20 . 1 1 170 170 ARG N N 164 119.842 119.842 119.728 0.114 17610 19030 1 20 . 1 1 170 170 ARG HA H 164 4.140 4.140 4.041 0.099 17610 19031 1 20 . 1 1 170 170 ARG C C 164 177.532 177.532 178.366 -0.834 17610 19032 1 20 . 1 1 170 170 ARG CA C 164 58.944 58.944 59.212 -0.269 17610 19033 1 20 . 1 1 170 170 ARG CB C 164 31.206 31.206 30.209 0.997 17610 19034 1 20 . 1 1 170 170 ARG H H 164 8.405 8.405 8.136 0.269 17610 19035 1 20 . 1 1 171 171 GLN N N 165 116.762 116.762 115.942 0.820 17610 19036 1 20 . 1 1 171 171 GLN HA H 165 4.343 4.343 4.149 0.194 17610 19037 1 20 . 1 1 171 171 GLN C C 165 175.218 175.218 176.735 -1.517 17610 19038 1 20 . 1 1 171 171 GLN CA C 165 56.100 56.100 57.736 -1.636 17610 19039 1 20 . 1 1 171 171 GLN CB C 165 29.236 29.236 29.172 0.064 17610 19040 1 20 . 1 1 171 171 GLN H H 165 7.646 7.646 7.885 -0.239 17610 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 161 2.776 -1.467 2.365 17610 2 1 1 "Average Difference" HA 175 0.402 -0.012 0.403 17610 3 1 1 "Average Difference" C 161 1.078 0.121 1.075 17610 4 1 1 "Average Difference" CA 163 1.074 -0.043 1.077 17610 5 1 1 "Average Difference" CB 153 1.159 -0.233 1.139 17610 6 1 1 "Average Difference" HN 161 0.545 -0.158 0.523 17610 7 1 2 "Average Difference" N 161 2.989 -1.697 2.469 17610 8 1 2 "Average Difference" HA 175 0.427 -0.021 0.427 17610 9 1 2 "Average Difference" C 161 1.119 0.089 1.119 17610 10 1 2 "Average Difference" CA 163 1.104 -0.008 1.108 17610 11 1 2 "Average Difference" CB 153 1.152 -0.129 1.149 17610 12 1 2 "Average Difference" HN 161 0.586 -0.183 0.558 17610 13 1 3 "Average Difference" N 161 2.882 -1.359 2.549 17610 14 1 3 "Average Difference" HA 175 0.436 0.002 0.437 17610 15 1 3 "Average Difference" C 161 1.116 0.182 1.104 17610 16 1 3 "Average Difference" CA 163 1.131 -0.042 1.134 17610 17 1 3 "Average Difference" CB 153 1.217 -0.237 1.197 17610 18 1 3 "Average Difference" HN 161 0.598 -0.141 0.583 17610 19 1 4 "Average Difference" N 161 2.840 -1.314 2.526 17610 20 1 4 "Average Difference" HA 175 0.409 -0.022 0.409 17610 21 1 4 "Average Difference" C 161 1.076 0.091 1.076 17610 22 1 4 "Average Difference" CA 163 1.074 -0.031 1.077 17610 23 1 4 "Average Difference" CB 153 1.174 -0.167 1.166 17610 24 1 4 "Average Difference" HN 161 0.550 -0.157 0.529 17610 25 1 5 "Average Difference" N 161 2.919 -1.374 2.584 17610 26 1 5 "Average Difference" HA 175 0.399 -0.013 0.400 17610 27 1 5 "Average Difference" C 161 1.140 0.078 1.141 17610 28 1 5 "Average Difference" CA 163 1.139 -0.089 1.139 17610 29 1 5 "Average Difference" CB 153 1.237 -0.200 1.224 17610 30 1 5 "Average Difference" HN 161 0.563 -0.174 0.537 17610 31 1 6 "Average Difference" N 161 3.033 -1.498 2.645 17610 32 1 6 "Average Difference" HA 175 0.407 -0.007 0.408 17610 33 1 6 "Average Difference" C 161 1.110 0.069 1.111 17610 34 1 6 "Average Difference" CA 163 1.168 0.038 1.171 17610 35 1 6 "Average Difference" CB 153 1.159 -0.110 1.158 17610 36 1 6 "Average Difference" HN 161 0.557 -0.140 0.540 17610 37 1 7 "Average Difference" N 161 2.998 -1.544 2.577 17610 38 1 7 "Average Difference" HA 175 0.405 -0.012 0.406 17610 39 1 7 "Average Difference" C 161 1.053 0.142 1.046 17610 40 1 7 "Average Difference" CA 163 1.081 -0.009 1.085 17610 41 1 7 "Average Difference" CB 153 1.153 -0.141 1.148 17610 42 1 7 "Average Difference" HN 161 0.570 -0.167 0.547 17610 43 1 8 "Average Difference" N 161 3.052 -1.440 2.699 17610 44 1 8 "Average Difference" HA 175 0.396 -0.028 0.397 17610 45 1 8 "Average Difference" C 161 1.061 0.062 1.062 17610 46 1 8 "Average Difference" CA 163 1.079 -0.021 1.082 17610 47 1 8 "Average Difference" CB 153 1.112 -0.153 1.105 17610 48 1 8 "Average Difference" HN 161 0.543 -0.146 0.524 17610 49 1 9 "Average Difference" N 161 2.963 -1.430 2.603 17610 50 1 9 "Average Difference" HA 175 0.430 -0.017 0.431 17610 51 1 9 "Average Difference" C 161 1.103 0.128 1.099 17610 52 1 9 "Average Difference" CA 163 1.092 -0.023 1.095 17610 53 1 9 "Average Difference" CB 153 1.239 -0.196 1.228 17610 54 1 9 "Average Difference" HN 161 0.559 -0.156 0.539 17610 55 1 10 "Average Difference" N 161 2.920 -1.388 2.577 17610 56 1 10 "Average Difference" HA 175 0.417 -0.022 0.417 17610 57 1 10 "Average Difference" C 161 1.106 0.061 1.107 17610 58 1 10 "Average Difference" CA 163 1.073 0.015 1.076 17610 59 1 10 "Average Difference" CB 153 1.138 -0.106 1.137 17610 60 1 10 "Average Difference" HN 161 0.541 -0.144 0.523 17610 61 1 11 "Average Difference" N 161 2.985 -1.398 2.646 17610 62 1 11 "Average Difference" HA 175 0.383 0.005 0.384 17610 63 1 11 "Average Difference" C 161 1.103 0.100 1.102 17610 64 1 11 "Average Difference" CA 163 1.031 -0.033 1.034 17610 65 1 11 "Average Difference" CB 153 1.172 -0.100 1.171 17610 66 1 11 "Average Difference" HN 161 0.550 -0.165 0.527 17610 67 1 12 "Average Difference" N 161 2.847 -1.522 2.414 17610 68 1 12 "Average Difference" HA 175 0.429 -0.022 0.429 17610 69 1 12 "Average Difference" C 161 1.104 0.091 1.104 17610 70 1 12 "Average Difference" CA 163 1.063 -0.005 1.067 17610 71 1 12 "Average Difference" CB 153 1.240 -0.173 1.232 17610 72 1 12 "Average Difference" HN 161 0.611 -0.145 0.595 17610 73 1 13 "Average Difference" N 161 2.829 -1.301 2.520 17610 74 1 13 "Average Difference" HA 175 0.400 0.003 0.402 17610 75 1 13 "Average Difference" C 161 1.093 0.046 1.095 17610 76 1 13 "Average Difference" CA 163 1.100 -0.100 1.099 17610 77 1 13 "Average Difference" CB 153 1.185 -0.128 1.182 17610 78 1 13 "Average Difference" HN 161 0.552 -0.154 0.532 17610 79 1 14 "Average Difference" N 161 3.104 -1.445 2.756 17610 80 1 14 "Average Difference" HA 175 0.416 -0.020 0.417 17610 81 1 14 "Average Difference" C 161 1.096 0.104 1.095 17610 82 1 14 "Average Difference" CA 163 1.052 -0.044 1.054 17610 83 1 14 "Average Difference" CB 153 1.187 -0.217 1.171 17610 84 1 14 "Average Difference" HN 161 0.543 -0.186 0.512 17610 85 1 15 "Average Difference" N 161 3.163 -1.635 2.716 17610 86 1 15 "Average Difference" HA 175 0.405 -0.009 0.406 17610 87 1 15 "Average Difference" C 161 1.059 0.078 1.060 17610 88 1 15 "Average Difference" CA 163 1.085 -0.045 1.087 17610 89 1 15 "Average Difference" CB 153 1.121 -0.116 1.118 17610 90 1 15 "Average Difference" HN 161 0.581 -0.189 0.551 17610 91 1 16 "Average Difference" N 161 2.854 -1.367 2.513 17610 92 1 16 "Average Difference" HA 175 0.401 -0.018 0.401 17610 93 1 16 "Average Difference" C 161 1.097 0.089 1.097 17610 94 1 16 "Average Difference" CA 163 1.089 -0.079 1.090 17610 95 1 16 "Average Difference" CB 153 1.228 -0.210 1.214 17610 96 1 16 "Average Difference" HN 161 0.567 -0.179 0.540 17610 97 1 17 "Average Difference" N 161 2.992 -1.370 2.668 17610 98 1 17 "Average Difference" HA 175 0.378 -0.024 0.379 17610 99 1 17 "Average Difference" C 161 1.105 0.082 1.106 17610 100 1 17 "Average Difference" CA 163 1.121 -0.048 1.124 17610 101 1 17 "Average Difference" CB 153 1.170 -0.137 1.165 17610 102 1 17 "Average Difference" HN 161 0.546 -0.132 0.532 17610 103 1 18 "Average Difference" N 161 2.861 -1.505 2.441 17610 104 1 18 "Average Difference" HA 175 0.392 -0.016 0.393 17610 105 1 18 "Average Difference" C 161 1.082 0.140 1.076 17610 106 1 18 "Average Difference" CA 163 1.120 0.024 1.123 17610 107 1 18 "Average Difference" CB 153 1.130 -0.134 1.126 17610 108 1 18 "Average Difference" HN 161 0.571 -0.157 0.550 17610 109 1 19 "Average Difference" N 161 3.035 -1.490 2.653 17610 110 1 19 "Average Difference" HA 175 0.399 -0.002 0.400 17610 111 1 19 "Average Difference" C 161 1.069 0.092 1.068 17610 112 1 19 "Average Difference" CA 163 1.076 -0.007 1.079 17610 113 1 19 "Average Difference" CB 153 1.122 -0.160 1.114 17610 114 1 19 "Average Difference" HN 161 0.564 -0.120 0.553 17610 115 1 20 "Average Difference" N 161 2.856 -1.465 2.459 17610 116 1 20 "Average Difference" HA 175 0.399 -0.019 0.400 17610 117 1 20 "Average Difference" C 161 1.128 0.150 1.121 17610 118 1 20 "Average Difference" CA 163 1.095 -0.028 1.098 17610 119 1 20 "Average Difference" CB 153 1.198 -0.143 1.194 17610 120 1 20 "Average Difference" HN 161 0.539 -0.146 0.521 17610 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 17610 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 8 8 THR N N 2 124.188 124.188 117.783 6.405 17610 2 1 . 1 1 8 8 THR HA H 2 3.983 3.983 4.376 -0.393 17610 3 1 . 1 1 8 8 THR C C 2 171.971 171.971 173.100 -1.129 17610 4 1 . 1 1 8 8 THR CA C 2 63.551 63.551 62.088 1.463 17610 5 1 . 1 1 8 8 THR CB C 2 69.619 69.619 70.237 -0.618 17610 6 1 . 1 1 8 8 THR H H 2 8.667 8.667 8.445 0.222 17610 7 1 . 1 1 9 9 GLU N N 3 127.895 127.895 124.941 2.954 17610 8 1 . 1 1 9 9 GLU HA H 3 5.280 5.280 4.393 0.887 17610 9 1 . 1 1 9 9 GLU C C 3 175.089 175.089 175.050 0.039 17610 10 1 . 1 1 9 9 GLU CA C 3 53.636 53.636 55.883 -2.247 17610 11 1 . 1 1 9 9 GLU CB C 3 32.029 32.029 30.973 1.056 17610 12 1 . 1 1 9 9 GLU H H 3 8.316 8.316 8.469 -0.153 17610 13 1 . 1 1 10 10 TYR N N 4 123.375 123.375 125.310 -1.935 17610 14 1 . 1 1 10 10 TYR HA H 4 5.131 5.131 4.654 0.477 17610 15 1 . 1 1 10 10 TYR C C 4 174.621 174.621 175.115 -0.494 17610 16 1 . 1 1 10 10 TYR CA C 4 56.649 56.649 56.847 -0.198 17610 17 1 . 1 1 10 10 TYR CB C 4 41.323 41.323 40.358 0.965 17610 18 1 . 1 1 10 10 TYR H H 4 8.739 8.739 8.248 0.491 17610 19 1 . 1 1 11 11 LYS N N 5 125.147 125.147 125.501 -0.354 17610 20 1 . 1 1 11 11 LYS HA H 5 5.168 5.168 4.593 0.575 17610 21 1 . 1 1 11 11 LYS C C 5 175.291 175.291 175.073 0.218 17610 22 1 . 1 1 11 11 LYS CA C 5 55.145 55.145 55.611 -0.466 17610 23 1 . 1 1 11 11 LYS CB C 5 32.225 32.225 32.568 -0.343 17610 24 1 . 1 1 11 11 LYS H H 5 9.142 9.142 8.791 0.351 17610 25 1 . 1 1 12 12 LEU N N 6 127.306 127.306 126.654 0.652 17610 26 1 . 1 1 12 12 LEU HA H 6 4.970 4.970 4.404 0.566 17610 27 1 . 1 1 12 12 LEU C C 6 175.298 175.298 175.232 0.066 17610 28 1 . 1 1 12 12 LEU CA C 6 52.743 52.743 54.012 -1.269 17610 29 1 . 1 1 12 12 LEU CB C 6 43.063 43.063 42.510 0.553 17610 30 1 . 1 1 12 12 LEU H H 6 9.150 9.150 8.687 0.463 17610 31 1 . 1 1 13 13 VAL N N 7 123.170 123.170 125.485 -2.315 17610 32 1 . 1 1 13 13 VAL HA H 7 4.827 4.827 4.269 0.558 17610 33 1 . 1 1 13 13 VAL C C 7 174.230 174.230 175.273 -1.043 17610 34 1 . 1 1 13 13 VAL CB C 7 34.048 34.048 31.413 2.635 17610 35 1 . 1 1 13 13 VAL H H 7 8.113 8.113 8.109 0.004 17610 36 1 . 1 1 14 14 VAL N N 8 129.854 129.854 128.446 1.408 17610 37 1 . 1 1 14 14 VAL HA H 8 4.669 4.669 4.372 0.297 17610 38 1 . 1 1 14 14 VAL C C 8 175.377 175.377 175.733 -0.356 17610 39 1 . 1 1 14 14 VAL CA C 8 61.935 61.935 61.780 0.155 17610 40 1 . 1 1 14 14 VAL CB C 8 32.496 32.496 31.896 0.600 17610 41 1 . 1 1 14 14 VAL H H 8 8.707 8.707 8.091 0.615 17610 42 1 . 1 1 15 15 VAL N N 9 121.835 121.835 118.056 3.779 17610 43 1 . 1 1 15 15 VAL HA H 9 4.616 4.616 4.544 0.072 17610 44 1 . 1 1 15 15 VAL C C 9 172.824 172.824 174.365 -1.541 17610 45 1 . 1 1 15 15 VAL CA C 9 58.963 58.963 59.149 -0.186 17610 46 1 . 1 1 15 15 VAL CB C 9 35.405 35.405 33.970 1.435 17610 47 1 . 1 1 15 15 VAL H H 9 9.107 9.107 8.429 0.678 17610 48 1 . 1 1 16 16 GLY N N 10 109.233 109.233 107.125 2.108 17610 49 1 . 1 1 16 16 GLY C C 10 172.504 172.504 172.761 -0.257 17610 50 1 . 1 1 16 16 GLY CA C 10 43.848 43.848 45.072 -1.224 17610 51 1 . 1 1 16 16 GLY H H 10 7.394 7.394 7.906 -0.512 17610 52 1 . 1 1 17 17 ALA N N 11 123.120 123.120 122.657 0.463 17610 53 1 . 1 1 17 17 ALA HA H 11 4.547 4.547 4.774 -0.227 17610 54 1 . 1 1 17 17 ALA C C 11 177.371 177.371 177.648 -0.277 17610 55 1 . 1 1 17 17 ALA CA C 11 52.236 52.236 51.925 0.311 17610 56 1 . 1 1 17 17 ALA CB C 11 19.807 19.807 19.691 0.116 17610 57 1 . 1 1 17 17 ALA H H 11 9.054 9.054 8.507 0.547 17610 58 1 . 1 1 18 18 GLY N N 12 107.391 107.391 107.989 -0.598 17610 59 1 . 1 1 18 18 GLY C C 12 176.858 176.858 175.150 1.708 17610 60 1 . 1 1 18 18 GLY CA C 12 46.465 46.465 45.834 0.631 17610 61 1 . 1 1 18 18 GLY H H 12 8.694 8.694 8.463 0.231 17610 62 1 . 1 1 19 19 GLY N N 13 114.596 114.596 109.026 5.570 17610 63 1 . 1 1 19 19 GLY C C 13 174.661 174.661 174.408 0.253 17610 64 1 . 1 1 19 19 GLY CA C 13 46.545 46.545 44.866 1.679 17610 65 1 . 1 1 19 19 GLY H H 13 8.916 8.916 8.220 0.696 17610 66 1 . 1 1 20 20 VAL N N 14 113.376 113.376 115.293 -1.917 17610 67 1 . 1 1 20 20 VAL HA H 14 4.008 4.008 4.289 -0.281 17610 68 1 . 1 1 20 20 VAL C C 14 174.469 174.469 175.712 -1.243 17610 69 1 . 1 1 20 20 VAL CA C 14 62.825 62.825 60.903 1.922 17610 70 1 . 1 1 20 20 VAL CB C 14 31.740 31.740 32.481 -0.741 17610 71 1 . 1 1 20 20 VAL H H 14 7.427 7.427 7.685 -0.258 17610 72 1 . 1 1 21 21 GLY N N 15 109.392 109.392 107.986 1.407 17610 73 1 . 1 1 21 21 GLY C C 15 173.254 173.254 175.266 -2.012 17610 74 1 . 1 1 21 21 GLY CA C 15 45.708 45.708 45.570 0.137 17610 75 1 . 1 1 21 21 GLY H H 15 8.388 8.388 8.338 0.050 17610 76 1 . 1 1 22 22 LYS N N 16 124.844 124.844 120.076 4.768 17610 77 1 . 1 1 22 22 LYS HA H 16 3.537 3.537 4.002 -0.465 17610 78 1 . 1 1 22 22 LYS C C 16 179.106 179.106 177.749 1.357 17610 79 1 . 1 1 22 22 LYS CA C 16 60.990 60.990 59.140 1.850 17610 80 1 . 1 1 22 22 LYS CB C 16 29.967 29.967 32.132 -2.165 17610 81 1 . 1 1 22 22 LYS H H 16 9.097 9.097 8.310 0.787 17610 82 1 . 1 1 23 23 SER N N 17 121.228 121.228 114.926 6.302 17610 83 1 . 1 1 23 23 SER HA H 17 4.292 4.292 4.385 -0.093 17610 84 1 . 1 1 23 23 SER C C 17 175.697 175.697 176.238 -0.541 17610 85 1 . 1 1 23 23 SER CA C 17 61.346 61.346 61.090 0.256 17610 86 1 . 1 1 23 23 SER CB C 17 61.337 61.337 62.492 -1.155 17610 87 1 . 1 1 23 23 SER H H 17 9.546 9.546 8.475 1.071 17610 88 1 . 1 1 24 24 ALA N N 18 126.557 126.557 124.983 1.574 17610 89 1 . 1 1 24 24 ALA HA H 18 3.946 3.946 3.927 0.019 17610 90 1 . 1 1 24 24 ALA C C 18 181.834 181.834 179.485 2.349 17610 91 1 . 1 1 24 24 ALA CA C 18 54.587 54.587 54.527 0.060 17610 92 1 . 1 1 24 24 ALA CB C 18 18.539 18.539 18.166 0.373 17610 93 1 . 1 1 24 24 ALA H H 18 9.189 9.189 7.937 1.252 17610 94 1 . 1 1 25 25 LEU N N 19 121.712 121.712 117.565 4.147 17610 95 1 . 1 1 25 25 LEU HA H 19 3.878 3.878 3.969 -0.091 17610 96 1 . 1 1 25 25 LEU C C 19 177.485 177.485 179.219 -1.734 17610 97 1 . 1 1 25 25 LEU CA C 19 58.729 58.729 57.995 0.734 17610 98 1 . 1 1 25 25 LEU CB C 19 43.227 43.227 41.608 1.619 17610 99 1 . 1 1 25 25 LEU H H 19 8.817 8.817 7.809 1.008 17610 100 1 . 1 1 26 26 THR N N 20 118.148 118.148 116.304 1.844 17610 101 1 . 1 1 26 26 THR HA H 20 3.401 3.401 3.962 -0.561 17610 102 1 . 1 1 26 26 THR C C 20 175.714 175.714 176.612 -0.898 17610 103 1 . 1 1 26 26 THR CA C 20 68.122 68.122 66.811 1.311 17610 104 1 . 1 1 26 26 THR CB C 20 68.196 68.196 68.781 -0.585 17610 105 1 . 1 1 26 26 THR H H 20 7.517 7.517 7.522 -0.005 17610 106 1 . 1 1 27 27 ILE N N 21 121.987 121.987 120.971 1.016 17610 107 1 . 1 1 27 27 ILE HA H 21 3.302 3.302 3.428 -0.126 17610 108 1 . 1 1 27 27 ILE C C 21 175.380 175.380 177.858 -2.478 17610 109 1 . 1 1 27 27 ILE CA C 21 64.278 64.278 63.884 0.394 17610 110 1 . 1 1 27 27 ILE CB C 21 36.758 36.758 36.763 -0.005 17610 111 1 . 1 1 27 27 ILE H H 21 8.950 8.950 7.823 1.127 17610 112 1 . 1 1 28 28 GLN N N 22 121.898 121.898 118.912 2.986 17610 113 1 . 1 1 28 28 GLN HA H 22 4.334 4.334 4.024 0.310 17610 114 1 . 1 1 28 28 GLN C C 22 179.058 179.058 178.645 0.413 17610 115 1 . 1 1 28 28 GLN CA C 22 58.796 58.796 58.682 0.114 17610 116 1 . 1 1 28 28 GLN CB C 22 29.752 29.752 28.410 1.342 17610 117 1 . 1 1 28 28 GLN H H 22 8.094 8.094 7.987 0.107 17610 118 1 . 1 1 29 29 LEU N N 23 121.426 121.426 118.970 2.456 17610 119 1 . 1 1 29 29 LEU HA H 23 3.765 3.765 4.049 -0.284 17610 120 1 . 1 1 29 29 LEU C C 23 178.155 178.155 177.463 0.692 17610 121 1 . 1 1 29 29 LEU CA C 23 58.304 58.304 56.567 1.737 17610 122 1 . 1 1 29 29 LEU CB C 23 40.637 40.637 41.532 -0.895 17610 123 1 . 1 1 29 29 LEU H H 23 7.746 7.746 7.524 0.222 17610 124 1 . 1 1 30 30 ILE N N 24 115.325 115.325 117.255 -1.930 17610 125 1 . 1 1 30 30 ILE HA H 24 3.697 3.697 3.858 -0.161 17610 126 1 . 1 1 30 30 ILE C C 24 177.421 177.421 177.523 -0.102 17610 127 1 . 1 1 30 30 ILE CA C 24 62.050 62.050 62.921 -0.871 17610 128 1 . 1 1 30 30 ILE CB C 24 37.183 37.183 37.814 -0.631 17610 129 1 . 1 1 30 30 ILE H H 24 8.115 8.115 7.354 0.761 17610 130 1 . 1 1 31 31 GLN N N 25 117.213 117.213 117.547 -0.334 17610 131 1 . 1 1 31 31 GLN HA H 25 4.539 4.539 4.221 0.318 17610 132 1 . 1 1 31 31 GLN C C 25 176.149 176.149 175.558 0.591 17610 133 1 . 1 1 31 31 GLN CA C 25 55.234 55.234 56.308 -1.074 17610 134 1 . 1 1 31 31 GLN CB C 25 30.184 30.184 29.938 0.246 17610 135 1 . 1 1 31 31 GLN H H 25 8.887 8.887 8.077 0.810 17610 136 1 . 1 1 32 32 ASN N N 26 117.820 117.820 115.461 2.359 17610 137 1 . 1 1 32 32 ASN HA H 26 4.807 4.807 4.560 0.247 17610 138 1 . 1 1 32 32 ASN C C 26 174.051 174.051 173.880 0.171 17610 139 1 . 1 1 32 32 ASN CA C 26 54.310 54.310 54.051 0.259 17610 140 1 . 1 1 32 32 ASN CB C 26 37.184 37.184 36.910 0.274 17610 141 1 . 1 1 32 32 ASN H H 26 7.982 7.982 8.314 -0.332 17610 142 1 . 1 1 33 33 HIS N N 27 112.968 112.968 114.983 -2.015 17610 143 1 . 1 1 33 33 HIS HA H 27 4.889 4.889 4.714 0.175 17610 144 1 . 1 1 33 33 HIS C C 27 172.514 172.514 173.723 -1.209 17610 145 1 . 1 1 33 33 HIS CA C 27 54.314 54.314 54.833 -0.519 17610 146 1 . 1 1 33 33 HIS CB C 27 32.616 32.616 31.020 1.596 17610 147 1 . 1 1 33 33 HIS H H 27 6.804 6.804 7.673 -0.869 17610 148 1 . 1 1 34 34 PHE N N 28 123.605 123.605 121.268 2.337 17610 149 1 . 1 1 34 34 PHE HA H 28 4.914 4.914 4.278 0.636 17610 150 1 . 1 1 34 34 PHE C C 28 174.641 174.641 174.459 0.182 17610 151 1 . 1 1 34 34 PHE CA C 28 55.754 55.754 58.241 -2.487 17610 152 1 . 1 1 34 34 PHE CB C 28 40.573 40.573 39.097 1.476 17610 153 1 . 1 1 34 34 PHE H H 28 8.462 8.462 8.231 0.231 17610 154 1 . 1 1 35 35 VAL N N 29 126.695 126.695 123.730 2.965 17610 155 1 . 1 1 35 35 VAL HA H 29 3.911 3.911 3.898 0.013 17610 156 1 . 1 1 35 35 VAL C C 29 173.764 173.764 175.274 -1.510 17610 157 1 . 1 1 35 35 VAL CA C 29 61.275 61.275 63.118 -1.843 17610 158 1 . 1 1 35 35 VAL CB C 29 33.154 33.154 32.658 0.496 17610 159 1 . 1 1 35 35 VAL H H 29 7.537 7.537 7.900 -0.363 17610 160 1 . 1 1 36 36 ASP N N 30 123.271 123.271 124.248 -0.977 17610 161 1 . 1 1 36 36 ASP HA H 30 4.185 4.185 4.666 -0.481 17610 162 1 . 1 1 36 36 ASP C C 30 176.129 176.129 175.607 0.522 17610 163 1 . 1 1 36 36 ASP CA C 30 54.662 54.662 55.266 -0.604 17610 164 1 . 1 1 36 36 ASP CB C 30 41.323 41.323 41.644 -0.321 17610 165 1 . 1 1 36 36 ASP H H 30 7.618 7.618 8.733 -1.115 17610 166 1 . 1 1 37 37 GLU N N 31 119.730 119.730 119.409 0.321 17610 167 1 . 1 1 37 37 GLU HA H 31 4.262 4.262 4.469 -0.207 17610 168 1 . 1 1 37 37 GLU C C 31 174.901 174.901 175.173 -0.272 17610 169 1 . 1 1 37 37 GLU CA C 31 56.137 56.137 56.144 -0.007 17610 170 1 . 1 1 37 37 GLU CB C 31 30.459 30.459 28.975 1.484 17610 171 1 . 1 1 37 37 GLU H H 31 7.857 7.857 8.341 -0.484 17610 172 1 . 1 1 38 38 TYR N N 32 123.296 123.296 119.582 3.714 17610 173 1 . 1 1 38 38 TYR HA H 32 4.486 4.486 4.880 -0.394 17610 174 1 . 1 1 38 38 TYR C C 32 174.370 174.370 174.271 0.099 17610 175 1 . 1 1 38 38 TYR CA C 32 57.511 57.511 56.980 0.531 17610 176 1 . 1 1 38 38 TYR CB C 32 39.199 39.199 39.906 -0.707 17610 177 1 . 1 1 38 38 TYR H H 32 8.244 8.244 7.864 0.380 17610 178 1 . 1 1 39 39 ASP N N 33 127.452 127.452 122.223 5.229 17610 179 1 . 1 1 39 39 ASP HA H 33 4.891 4.891 4.734 0.157 17610 180 1 . 1 1 39 39 ASP CA C 33 51.207 51.207 51.856 -0.649 17610 181 1 . 1 1 39 39 ASP CB C 33 41.837 41.837 42.032 -0.195 17610 182 1 . 1 1 39 39 ASP H H 33 8.158 8.158 8.383 -0.225 17610 183 1 . 1 1 40 40 PRO HA H 34 4.405 4.405 4.408 -0.003 17610 184 1 . 1 1 40 40 PRO C C 34 176.938 176.938 176.602 0.336 17610 185 1 . 1 1 40 40 PRO CA C 34 63.068 63.068 63.339 -0.271 17610 186 1 . 1 1 40 40 PRO CB C 34 32.089 32.089 31.892 0.197 17610 187 1 . 1 1 41 41 SER N N 35 117.575 117.575 114.474 3.101 17610 188 1 . 1 1 41 41 SER HA H 35 4.433 4.433 4.311 0.122 17610 189 1 . 1 1 41 41 SER C C 35 174.777 174.777 173.704 1.073 17610 190 1 . 1 1 41 41 SER CA C 35 58.346 58.346 58.693 -0.347 17610 191 1 . 1 1 41 41 SER CB C 35 63.704 63.704 62.814 0.890 17610 192 1 . 1 1 41 41 SER H H 35 8.495 8.495 8.193 0.302 17610 193 1 . 1 1 42 42 ILE N N 36 123.018 123.018 118.481 4.537 17610 194 1 . 1 1 42 42 ILE HA H 36 4.219 4.219 4.403 -0.184 17610 195 1 . 1 1 42 42 ILE C C 36 175.966 175.966 174.841 1.125 17610 196 1 . 1 1 42 42 ILE CA C 36 61.665 61.665 59.906 1.759 17610 197 1 . 1 1 42 42 ILE CB C 36 38.745 38.745 40.002 -1.257 17610 198 1 . 1 1 42 42 ILE H H 36 7.919 7.919 7.768 0.151 17610 199 1 . 1 1 43 43 GLU N N 37 124.699 124.699 120.136 4.563 17610 200 1 . 1 1 43 43 GLU HA H 37 4.381 4.381 4.224 0.157 17610 201 1 . 1 1 43 43 GLU C C 37 179.069 179.069 175.723 3.346 17610 202 1 . 1 1 43 43 GLU CA C 37 56.223 56.223 56.343 -0.120 17610 203 1 . 1 1 43 43 GLU CB C 37 30.616 30.616 29.525 1.091 17610 204 1 . 1 1 43 43 GLU H H 37 8.201 8.201 8.485 -0.284 17610 205 1 . 1 1 44 44 ASP N N 38 121.902 121.902 118.269 3.633 17610 206 1 . 1 1 44 44 ASP HA H 38 4.622 4.622 4.390 0.232 17610 207 1 . 1 1 44 44 ASP C C 38 174.634 174.634 174.932 -0.298 17610 208 1 . 1 1 44 44 ASP CA C 38 54.095 54.095 54.296 -0.201 17610 209 1 . 1 1 44 44 ASP CB C 38 41.837 41.837 39.719 2.118 17610 210 1 . 1 1 44 44 ASP H H 38 8.094 8.094 8.197 -0.103 17610 211 1 . 1 1 45 45 SER N N 39 114.779 114.779 113.819 0.960 17610 212 1 . 1 1 45 45 SER HA H 39 4.923 4.923 4.281 0.642 17610 213 1 . 1 1 45 45 SER C C 39 173.339 173.339 173.237 0.102 17610 214 1 . 1 1 45 45 SER CA C 39 57.023 57.023 58.242 -1.219 17610 215 1 . 1 1 45 45 SER CB C 39 64.751 64.751 64.320 0.431 17610 216 1 . 1 1 45 45 SER H H 39 7.792 7.792 7.415 0.377 17610 217 1 . 1 1 46 46 TYR N N 40 124.235 124.235 121.304 2.931 17610 218 1 . 1 1 46 46 TYR HA H 40 4.662 4.662 4.722 -0.060 17610 219 1 . 1 1 46 46 TYR C C 40 173.910 173.910 174.039 -0.129 17610 220 1 . 1 1 46 46 TYR CA C 40 56.944 56.944 56.753 0.191 17610 221 1 . 1 1 46 46 TYR CB C 40 41.323 41.323 41.606 -0.283 17610 222 1 . 1 1 46 46 TYR H H 40 8.976 8.976 8.461 0.515 17610 223 1 . 1 1 47 47 ARG N N 41 121.906 121.906 119.480 2.426 17610 224 1 . 1 1 47 47 ARG HA H 41 5.802 5.802 5.121 0.681 17610 225 1 . 1 1 47 47 ARG C C 41 176.150 176.150 174.870 1.280 17610 226 1 . 1 1 47 47 ARG CA C 41 54.129 54.129 54.715 -0.586 17610 227 1 . 1 1 47 47 ARG CB C 41 34.105 34.105 33.050 1.055 17610 228 1 . 1 1 47 47 ARG H H 41 8.238 8.238 8.554 -0.316 17610 229 1 . 1 1 48 48 LYS N N 42 123.924 123.924 122.826 1.098 17610 230 1 . 1 1 48 48 LYS HA H 42 4.508 4.508 4.556 -0.048 17610 231 1 . 1 1 48 48 LYS C C 42 173.710 173.710 174.709 -0.999 17610 232 1 . 1 1 48 48 LYS CA C 42 55.651 55.651 54.804 0.847 17610 233 1 . 1 1 48 48 LYS CB C 42 38.139 38.139 36.156 1.983 17610 234 1 . 1 1 48 48 LYS H H 42 8.705 8.705 8.394 0.311 17610 235 1 . 1 1 49 49 GLN N N 43 130.301 130.301 125.834 4.467 17610 236 1 . 1 1 49 49 GLN HA H 43 5.230 5.230 4.540 0.690 17610 237 1 . 1 1 49 49 GLN C C 43 175.254 175.254 174.985 0.269 17610 238 1 . 1 1 49 49 GLN CA C 43 55.496 55.496 55.504 -0.008 17610 239 1 . 1 1 49 49 GLN CB C 43 29.892 29.892 29.673 0.219 17610 240 1 . 1 1 49 49 GLN H H 43 8.897 8.897 8.627 0.270 17610 241 1 . 1 1 50 50 VAL N N 44 122.354 122.354 121.236 1.118 17610 242 1 . 1 1 50 50 VAL HA H 44 4.772 4.772 4.670 0.102 17610 243 1 . 1 1 50 50 VAL C C 44 173.116 173.116 173.343 -0.227 17610 244 1 . 1 1 50 50 VAL CA C 44 59.238 59.238 59.297 -0.059 17610 245 1 . 1 1 50 50 VAL CB C 44 35.888 35.888 35.600 0.288 17610 246 1 . 1 1 50 50 VAL H H 44 9.104 9.104 8.623 0.481 17610 247 1 . 1 1 51 51 VAL N N 45 122.385 122.385 120.618 1.767 17610 248 1 . 1 1 51 51 VAL HA H 45 4.462 4.462 4.448 0.014 17610 249 1 . 1 1 51 51 VAL C C 45 175.450 175.450 175.359 0.091 17610 250 1 . 1 1 51 51 VAL CA C 45 61.832 61.832 61.162 0.670 17610 251 1 . 1 1 51 51 VAL CB C 45 32.228 32.228 31.855 0.373 17610 252 1 . 1 1 51 51 VAL H H 45 8.100 8.100 8.393 -0.293 17610 253 1 . 1 1 52 52 ILE N N 46 126.953 126.953 128.779 -1.826 17610 254 1 . 1 1 52 52 ILE HA H 46 3.995 3.995 4.063 -0.068 17610 255 1 . 1 1 52 52 ILE C C 46 176.424 176.424 176.015 0.409 17610 256 1 . 1 1 52 52 ILE CA C 46 60.343 60.343 60.219 0.124 17610 257 1 . 1 1 52 52 ILE CB C 46 40.096 40.096 37.630 2.466 17610 258 1 . 1 1 52 52 ILE H H 46 8.118 8.118 8.287 -0.169 17610 259 1 . 1 1 53 53 ASP N N 47 132.206 132.206 127.786 4.420 17610 260 1 . 1 1 53 53 ASP HA H 47 4.267 4.267 4.324 -0.057 17610 261 1 . 1 1 53 53 ASP C C 47 176.121 176.121 176.361 -0.240 17610 262 1 . 1 1 53 53 ASP CA C 47 55.267 55.267 54.866 0.401 17610 263 1 . 1 1 53 53 ASP CB C 47 39.203 39.203 39.978 -0.775 17610 264 1 . 1 1 53 53 ASP H H 47 9.605 9.605 8.950 0.655 17610 265 1 . 1 1 54 54 GLY N N 48 104.275 104.275 104.749 -0.474 17610 266 1 . 1 1 54 54 GLY C C 48 173.219 173.219 173.638 -0.419 17610 267 1 . 1 1 54 54 GLY CA C 48 45.318 45.318 45.340 -0.022 17610 268 1 . 1 1 54 54 GLY H H 48 8.332 8.332 8.341 -0.009 17610 269 1 . 1 1 55 55 GLU N N 49 123.384 123.384 120.760 2.624 17610 270 1 . 1 1 55 55 GLU HA H 49 4.691 4.691 4.552 0.139 17610 271 1 . 1 1 55 55 GLU C C 49 175.614 175.614 175.517 0.097 17610 272 1 . 1 1 55 55 GLU CA C 49 54.719 54.719 54.604 0.115 17610 273 1 . 1 1 55 55 GLU CB C 49 31.803 31.803 31.205 0.598 17610 274 1 . 1 1 55 55 GLU H H 49 7.684 7.684 7.809 -0.126 17610 275 1 . 1 1 56 56 THR N N 50 127.153 127.153 123.237 3.916 17610 276 1 . 1 1 56 56 THR HA H 50 4.727 4.727 4.531 0.196 17610 277 1 . 1 1 56 56 THR C C 50 173.530 173.530 174.167 -0.637 17610 278 1 . 1 1 56 56 THR CA C 50 63.521 63.521 64.426 -0.905 17610 279 1 . 1 1 56 56 THR CB C 50 68.478 68.478 69.066 -0.588 17610 280 1 . 1 1 56 56 THR H H 50 8.951 8.951 8.614 0.337 17610 281 1 . 1 1 57 57 CYS N N 51 124.835 124.835 123.687 1.148 17610 282 1 . 1 1 57 57 CYS HA H 51 5.086 5.086 4.783 0.303 17610 283 1 . 1 1 57 57 CYS C C 51 170.937 170.937 172.931 -1.994 17610 284 1 . 1 1 57 57 CYS CA C 51 56.423 56.423 58.037 -1.614 17610 285 1 . 1 1 57 57 CYS CB C 51 31.549 31.549 31.754 -0.205 17610 286 1 . 1 1 57 57 CYS H H 51 9.424 9.424 8.937 0.487 17610 287 1 . 1 1 58 58 LEU N N 52 123.111 123.111 122.556 0.555 17610 288 1 . 1 1 58 58 LEU HA H 52 4.943 4.943 4.699 0.244 17610 289 1 . 1 1 58 58 LEU C C 52 175.044 175.044 175.839 -0.795 17610 290 1 . 1 1 58 58 LEU CA C 52 53.372 53.372 54.476 -1.104 17610 291 1 . 1 1 58 58 LEU CB C 52 44.304 44.304 43.371 0.933 17610 292 1 . 1 1 58 58 LEU H H 52 8.803 8.803 8.961 -0.158 17610 293 1 . 1 1 59 59 LEU N N 53 124.540 124.540 124.482 0.058 17610 294 1 . 1 1 59 59 LEU HA H 53 4.888 4.888 4.701 0.187 17610 295 1 . 1 1 59 59 LEU C C 53 174.358 174.358 175.327 -0.969 17610 296 1 . 1 1 59 59 LEU CA C 53 53.490 53.490 53.857 -0.367 17610 297 1 . 1 1 59 59 LEU CB C 53 42.195 42.195 42.709 -0.514 17610 298 1 . 1 1 59 59 LEU H H 53 9.054 9.054 9.119 -0.065 17610 299 1 . 1 1 60 60 ASP N N 54 126.666 126.666 125.605 1.061 17610 300 1 . 1 1 60 60 ASP HA H 54 5.225 5.225 4.911 0.314 17610 301 1 . 1 1 60 60 ASP C C 54 174.846 174.846 175.346 -0.500 17610 302 1 . 1 1 60 60 ASP CA C 54 53.040 53.040 53.915 -0.875 17610 303 1 . 1 1 60 60 ASP CB C 54 42.622 42.622 40.947 1.675 17610 304 1 . 1 1 60 60 ASP H H 54 8.739 8.739 8.556 0.183 17610 305 1 . 1 1 61 61 ILE N N 55 125.100 125.100 124.814 0.286 17610 306 1 . 1 1 61 61 ILE HA H 55 4.690 4.690 4.220 0.470 17610 307 1 . 1 1 61 61 ILE C C 55 174.745 174.745 174.892 -0.147 17610 308 1 . 1 1 61 61 ILE CA C 55 60.331 60.331 59.305 1.026 17610 309 1 . 1 1 61 61 ILE CB C 55 39.682 39.682 36.815 2.867 17610 310 1 . 1 1 61 61 ILE H H 55 9.115 9.115 8.453 0.662 17610 311 1 . 1 1 62 62 LEU N N 56 131.208 131.208 129.585 1.623 17610 312 1 . 1 1 62 62 LEU HA H 56 4.667 4.667 4.518 0.149 17610 313 1 . 1 1 62 62 LEU C C 56 174.063 174.063 174.503 -0.440 17610 314 1 . 1 1 62 62 LEU CA C 56 53.795 53.795 53.945 -0.150 17610 315 1 . 1 1 62 62 LEU CB C 56 42.256 42.256 43.846 -1.590 17610 316 1 . 1 1 62 62 LEU H H 56 9.014 9.014 8.588 0.426 17610 317 1 . 1 1 63 63 ASP N N 57 128.415 128.415 126.617 1.798 17610 318 1 . 1 1 63 63 ASP HA H 57 4.783 4.783 4.848 -0.065 17610 319 1 . 1 1 63 63 ASP C C 57 176.341 176.341 175.811 0.530 17610 320 1 . 1 1 63 63 ASP CA C 57 52.988 52.988 52.592 0.395 17610 321 1 . 1 1 63 63 ASP CB C 57 41.837 41.837 42.264 -0.427 17610 322 1 . 1 1 63 63 ASP H H 57 8.657 8.657 8.340 0.318 17610 323 1 . 1 1 64 64 THR N N 58 114.950 114.950 116.556 -1.606 17610 324 1 . 1 1 64 64 THR HA H 58 4.425 4.425 4.267 0.158 17610 325 1 . 1 1 64 64 THR C C 58 172.734 172.734 174.377 -1.643 17610 326 1 . 1 1 64 64 THR CA C 58 61.488 61.488 60.894 0.594 17610 327 1 . 1 1 64 64 THR CB C 58 71.398 71.398 70.127 1.271 17610 328 1 . 1 1 64 64 THR H H 58 7.369 7.369 7.815 -0.446 17610 329 1 . 1 1 65 65 ALA N N 59 123.940 123.940 121.368 2.572 17610 330 1 . 1 1 65 65 ALA HA H 59 4.764 4.764 4.425 0.339 17610 331 1 . 1 1 65 65 ALA C C 59 179.480 179.480 178.089 1.391 17610 332 1 . 1 1 65 65 ALA CA C 59 51.422 51.422 52.027 -0.605 17610 333 1 . 1 1 65 65 ALA CB C 59 20.796 20.796 19.997 0.799 17610 334 1 . 1 1 65 65 ALA H H 59 8.329 8.329 8.259 0.070 17610 335 1 . 1 1 66 66 GLY N N 60 112.527 112.527 107.022 5.505 17610 336 1 . 1 1 66 66 GLY C C 60 174.938 174.938 174.680 0.258 17610 337 1 . 1 1 66 66 GLY CA C 60 46.057 46.057 45.786 0.271 17610 338 1 . 1 1 66 66 GLY H H 60 9.397 9.397 8.673 0.724 17610 339 1 . 1 1 67 67 GLN N N 61 120.877 120.877 118.910 1.967 17610 340 1 . 1 1 67 67 GLN HA H 61 4.422 4.422 4.473 -0.051 17610 341 1 . 1 1 67 67 GLN C C 61 176.298 176.298 175.389 0.909 17610 342 1 . 1 1 67 67 GLN CA C 61 56.355 56.355 55.868 0.487 17610 343 1 . 1 1 67 67 GLN CB C 61 29.438 29.438 29.086 0.352 17610 344 1 . 1 1 67 67 GLN H H 61 8.237 8.237 8.144 0.093 17610 345 1 . 1 1 68 68 GLU N N 62 123.751 123.751 120.409 3.342 17610 346 1 . 1 1 68 68 GLU HA H 62 4.208 4.208 4.253 -0.045 17610 347 1 . 1 1 68 68 GLU C C 62 177.032 177.032 175.559 1.473 17610 348 1 . 1 1 68 68 GLU CA C 62 57.801 57.801 56.804 0.997 17610 349 1 . 1 1 68 68 GLU CB C 62 29.834 29.834 30.034 -0.200 17610 350 1 . 1 1 68 68 GLU H H 62 8.738 8.738 8.438 0.300 17610 351 1 . 1 1 69 69 GLU N N 63 121.861 121.861 119.282 2.579 17610 352 1 . 1 1 69 69 GLU HA H 63 4.228 4.228 4.200 0.027 17610 353 1 . 1 1 69 69 GLU C C 63 176.145 176.145 175.201 0.944 17610 354 1 . 1 1 69 69 GLU CA C 63 57.026 57.026 56.894 0.132 17610 355 1 . 1 1 69 69 GLU CB C 63 30.231 30.231 29.077 1.154 17610 356 1 . 1 1 69 69 GLU H H 63 8.607 8.607 8.520 0.087 17610 357 1 . 1 1 70 70 TYR N N 64 121.801 121.801 121.066 0.735 17610 358 1 . 1 1 70 70 TYR HA H 64 4.587 4.587 4.667 -0.080 17610 359 1 . 1 1 70 70 TYR C C 64 175.965 175.965 175.254 0.711 17610 360 1 . 1 1 70 70 TYR CA C 64 58.160 58.160 57.398 0.762 17610 361 1 . 1 1 70 70 TYR CB C 64 38.288 38.288 39.302 -1.014 17610 362 1 . 1 1 70 70 TYR H H 64 8.225 8.225 8.096 0.129 17610 363 1 . 1 1 71 71 SER N N 65 120.137 120.137 119.425 0.712 17610 364 1 . 1 1 71 71 SER HA H 65 4.269 4.269 4.368 -0.099 17610 365 1 . 1 1 71 71 SER C C 65 174.912 174.912 175.797 -0.885 17610 366 1 . 1 1 71 71 SER CA C 65 58.755 58.755 59.484 -0.729 17610 367 1 . 1 1 71 71 SER CB C 65 63.755 63.755 63.701 0.054 17610 368 1 . 1 1 71 71 SER H H 65 7.884 7.884 8.633 -0.749 17610 369 1 . 1 1 72 72 ALA N N 66 127.848 127.848 125.181 2.667 17610 370 1 . 1 1 72 72 ALA HA H 66 4.193 4.193 4.083 0.110 17610 371 1 . 1 1 72 72 ALA C C 66 179.820 179.820 179.644 0.176 17610 372 1 . 1 1 72 72 ALA CA C 66 54.595 54.595 54.988 -0.393 17610 373 1 . 1 1 72 72 ALA CB C 66 18.264 18.264 18.317 -0.054 17610 374 1 . 1 1 72 72 ALA H H 66 8.706 8.706 8.458 0.248 17610 375 1 . 1 1 73 73 MET N N 67 118.448 118.448 116.187 2.261 17610 376 1 . 1 1 73 73 MET HA H 67 4.271 4.271 4.090 0.181 17610 377 1 . 1 1 73 73 MET C C 67 177.098 177.098 177.763 -0.665 17610 378 1 . 1 1 73 73 MET CA C 67 56.915 56.915 57.435 -0.520 17610 379 1 . 1 1 73 73 MET CB C 67 32.031 32.031 31.878 0.153 17610 380 1 . 1 1 73 73 MET H H 67 8.007 8.007 7.968 0.039 17610 381 1 . 1 1 74 74 ARG N N 68 121.351 121.351 119.998 1.353 17610 382 1 . 1 1 74 74 ARG HA H 68 3.793 3.793 4.111 -0.318 17610 383 1 . 1 1 74 74 ARG C C 68 177.730 177.730 178.467 -0.737 17610 384 1 . 1 1 74 74 ARG CA C 68 59.093 59.093 59.741 -0.648 17610 385 1 . 1 1 74 74 ARG CB C 68 30.118 30.118 29.805 0.313 17610 386 1 . 1 1 74 74 ARG H H 68 7.761 7.761 8.116 -0.355 17610 387 1 . 1 1 75 75 ASP N N 69 119.938 119.938 118.162 1.775 17610 388 1 . 1 1 75 75 ASP HA H 69 4.286 4.286 4.506 -0.220 17610 389 1 . 1 1 75 75 ASP C C 69 177.998 177.998 178.086 -0.088 17610 390 1 . 1 1 75 75 ASP CA C 69 57.555 57.555 57.402 0.153 17610 391 1 . 1 1 75 75 ASP CB C 69 40.401 40.401 40.620 -0.219 17610 392 1 . 1 1 75 75 ASP H H 69 8.077 8.077 7.924 0.153 17610 393 1 . 1 1 76 76 GLN N N 70 119.151 119.151 119.899 -0.748 17610 394 1 . 1 1 76 76 GLN HA H 70 4.050 4.050 4.027 0.023 17610 395 1 . 1 1 76 76 GLN C C 70 178.837 178.837 178.195 0.642 17610 396 1 . 1 1 76 76 GLN CA C 70 58.920 58.920 58.527 0.393 17610 397 1 . 1 1 76 76 GLN CB C 70 28.063 28.063 28.168 -0.105 17610 398 1 . 1 1 76 76 GLN H H 70 7.789 7.789 7.387 0.402 17610 399 1 . 1 1 77 77 TYR N N 71 119.847 119.847 118.723 1.124 17610 400 1 . 1 1 77 77 TYR HA H 71 4.548 4.548 4.454 0.094 17610 401 1 . 1 1 77 77 TYR C C 71 178.680 178.680 178.507 0.173 17610 402 1 . 1 1 77 77 TYR CA C 71 58.785 58.785 59.622 -0.837 17610 403 1 . 1 1 77 77 TYR CB C 71 36.986 36.986 38.022 -1.036 17610 404 1 . 1 1 77 77 TYR H H 71 8.131 8.131 7.565 0.566 17610 405 1 . 1 1 78 78 MET N N 72 119.987 119.987 117.773 2.214 17610 406 1 . 1 1 78 78 MET HA H 72 4.402 4.402 4.380 0.022 17610 407 1 . 1 1 78 78 MET C C 72 177.008 177.008 178.736 -1.728 17610 408 1 . 1 1 78 78 MET CA C 72 59.028 59.028 59.643 -0.615 17610 409 1 . 1 1 78 78 MET CB C 72 32.709 32.709 32.373 0.336 17610 410 1 . 1 1 78 78 MET H H 72 8.380 8.380 7.934 0.447 17610 411 1 . 1 1 79 79 ARG N N 73 117.792 117.792 115.771 2.021 17610 412 1 . 1 1 79 79 ARG HA H 73 3.914 3.914 4.214 -0.300 17610 413 1 . 1 1 79 79 ARG C C 73 178.169 178.169 177.726 0.443 17610 414 1 . 1 1 79 79 ARG CA C 73 59.493 59.493 58.605 0.888 17610 415 1 . 1 1 79 79 ARG CB C 73 30.100 30.100 30.390 -0.290 17610 416 1 . 1 1 79 79 ARG H H 73 7.992 7.992 7.792 0.200 17610 417 1 . 1 1 80 80 THR N N 74 110.012 110.012 107.961 2.051 17610 418 1 . 1 1 80 80 THR HA H 74 4.242 4.242 4.445 -0.203 17610 419 1 . 1 1 80 80 THR C C 74 175.640 175.640 174.847 0.793 17610 420 1 . 1 1 80 80 THR CA C 74 62.863 62.863 61.911 0.952 17610 421 1 . 1 1 80 80 THR CB C 74 69.808 69.808 69.921 -0.113 17610 422 1 . 1 1 80 80 THR H H 74 7.718 7.718 7.529 0.189 17610 423 1 . 1 1 81 81 GLY N N 75 109.297 109.297 109.589 -0.292 17610 424 1 . 1 1 81 81 GLY C C 75 172.419 172.419 173.675 -1.256 17610 425 1 . 1 1 81 81 GLY CA C 75 46.504 46.504 44.083 2.421 17610 426 1 . 1 1 81 81 GLY H H 75 7.852 7.852 7.631 0.221 17610 427 1 . 1 1 82 82 GLU N N 76 122.399 122.399 122.372 0.027 17610 428 1 . 1 1 82 82 GLU HA H 76 4.523 4.523 4.207 0.316 17610 429 1 . 1 1 82 82 GLU C C 76 176.409 176.409 175.920 0.489 17610 430 1 . 1 1 82 82 GLU CA C 76 56.469 56.469 58.032 -1.562 17610 431 1 . 1 1 82 82 GLU CB C 76 32.049 32.049 30.604 1.445 17610 432 1 . 1 1 82 82 GLU H H 76 8.879 8.879 8.152 0.727 17610 433 1 . 1 1 83 83 GLY N N 77 102.282 102.282 104.375 -2.093 17610 434 1 . 1 1 83 83 GLY C C 77 170.803 170.803 171.699 -0.896 17610 435 1 . 1 1 83 83 GLY CA C 77 45.453 45.453 44.844 0.609 17610 436 1 . 1 1 83 83 GLY H H 77 7.192 7.192 7.242 -0.050 17610 437 1 . 1 1 84 84 PHE N N 78 122.648 122.648 117.193 5.455 17610 438 1 . 1 1 84 84 PHE HA H 78 5.448 5.448 5.390 0.058 17610 439 1 . 1 1 84 84 PHE C C 78 173.734 173.734 174.005 -0.271 17610 440 1 . 1 1 84 84 PHE CA C 78 57.065 57.065 56.873 0.192 17610 441 1 . 1 1 84 84 PHE CB C 78 42.997 42.997 43.865 -0.868 17610 442 1 . 1 1 84 84 PHE H H 78 8.224 8.224 8.286 -0.062 17610 443 1 . 1 1 85 85 LEU N N 79 127.298 127.298 122.748 4.549 17610 444 1 . 1 1 85 85 LEU HA H 79 4.690 4.690 5.119 -0.429 17610 445 1 . 1 1 85 85 LEU C C 79 174.690 174.690 175.129 -0.439 17610 446 1 . 1 1 85 85 LEU CA C 79 53.981 53.981 53.940 0.041 17610 447 1 . 1 1 85 85 LEU CB C 79 43.058 43.058 45.895 -2.837 17610 448 1 . 1 1 85 85 LEU H H 79 9.189 9.189 8.846 0.343 17610 449 1 . 1 1 86 86 CYS N N 80 125.581 125.581 126.501 -0.920 17610 450 1 . 1 1 86 86 CYS HA H 80 4.689 4.689 4.744 -0.054 17610 451 1 . 1 1 86 86 CYS C C 80 172.664 172.664 173.713 -1.049 17610 452 1 . 1 1 86 86 CYS CA C 80 57.767 57.767 58.478 -0.711 17610 453 1 . 1 1 86 86 CYS CB C 80 27.397 27.397 27.750 -0.353 17610 454 1 . 1 1 86 86 CYS H H 80 8.720 8.720 9.243 -0.523 17610 455 1 . 1 1 87 87 VAL N N 81 127.252 127.252 126.834 0.418 17610 456 1 . 1 1 87 87 VAL HA H 81 4.983 4.983 4.719 0.264 17610 457 1 . 1 1 87 87 VAL C C 81 175.119 175.119 174.800 0.319 17610 458 1 . 1 1 87 87 VAL CA C 81 61.275 61.275 61.538 -0.263 17610 459 1 . 1 1 87 87 VAL CB C 81 33.407 33.407 32.601 0.807 17610 460 1 . 1 1 87 87 VAL H H 81 9.028 9.028 8.519 0.509 17610 461 1 . 1 1 88 88 PHE N N 82 125.157 125.157 125.691 -0.534 17610 462 1 . 1 1 88 88 PHE HA H 82 4.992 4.992 5.190 -0.198 17610 463 1 . 1 1 88 88 PHE C C 82 171.162 171.162 173.089 -1.927 17610 464 1 . 1 1 88 88 PHE CA C 82 55.349 55.349 55.067 0.282 17610 465 1 . 1 1 88 88 PHE CB C 82 40.430 40.430 42.703 -2.273 17610 466 1 . 1 1 88 88 PHE H H 82 9.306 9.306 8.640 0.666 17610 467 1 . 1 1 89 89 ALA N N 83 122.321 122.321 124.891 -2.570 17610 468 1 . 1 1 89 89 ALA HA H 83 5.082 5.082 4.634 0.448 17610 469 1 . 1 1 89 89 ALA C C 83 179.267 179.267 178.442 0.825 17610 470 1 . 1 1 89 89 ALA CA C 83 49.635 49.635 49.653 -0.018 17610 471 1 . 1 1 89 89 ALA CB C 83 21.739 21.739 19.871 1.868 17610 472 1 . 1 1 89 89 ALA H H 83 8.692 8.692 8.247 0.445 17610 473 1 . 1 1 90 90 ILE N N 84 114.459 114.459 120.006 -5.546 17610 474 1 . 1 1 90 90 ILE HA H 84 4.054 4.054 3.616 0.438 17610 475 1 . 1 1 90 90 ILE C C 84 174.164 174.164 176.578 -2.414 17610 476 1 . 1 1 90 90 ILE CA C 84 63.169 63.169 64.243 -1.074 17610 477 1 . 1 1 90 90 ILE CB C 84 38.174 38.174 37.529 0.645 17610 478 1 . 1 1 90 90 ILE H H 84 8.461 8.461 7.506 0.955 17610 479 1 . 1 1 91 91 ASN N N 85 118.240 118.240 116.839 1.401 17610 480 1 . 1 1 91 91 ASN HA H 85 5.049 5.049 4.691 0.358 17610 481 1 . 1 1 91 91 ASN C C 85 174.583 174.583 174.866 -0.283 17610 482 1 . 1 1 91 91 ASN CA C 85 52.161 52.161 54.262 -2.101 17610 483 1 . 1 1 91 91 ASN CB C 85 38.132 38.132 38.642 -0.510 17610 484 1 . 1 1 91 91 ASN H H 85 7.906 7.906 8.508 -0.602 17610 485 1 . 1 1 92 92 ASN N N 86 120.345 120.345 118.250 2.095 17610 486 1 . 1 1 92 92 ASN HA H 86 5.080 5.080 4.988 0.092 17610 487 1 . 1 1 92 92 ASN C C 86 175.090 175.090 175.433 -0.343 17610 488 1 . 1 1 92 92 ASN CA C 86 52.041 52.041 52.364 -0.323 17610 489 1 . 1 1 92 92 ASN CB C 86 39.203 39.203 39.555 -0.352 17610 490 1 . 1 1 92 92 ASN H H 86 7.931 7.931 7.728 0.203 17610 491 1 . 1 1 93 93 THR N N 87 125.665 125.665 120.381 5.284 17610 492 1 . 1 1 93 93 THR HA H 87 3.772 3.772 4.142 -0.370 17610 493 1 . 1 1 93 93 THR C C 87 176.012 176.012 176.040 -0.028 17610 494 1 . 1 1 93 93 THR CA C 87 66.753 66.753 66.403 0.350 17610 495 1 . 1 1 93 93 THR CB C 87 68.400 68.400 69.102 -0.702 17610 496 1 . 1 1 93 93 THR H H 87 9.272 9.272 8.635 0.637 17610 497 1 . 1 1 94 94 LYS N N 88 125.404 125.404 121.196 4.208 17610 498 1 . 1 1 94 94 LYS HA H 88 4.186 4.186 4.071 0.116 17610 499 1 . 1 1 94 94 LYS C C 88 178.027 178.027 178.470 -0.443 17610 500 1 . 1 1 94 94 LYS CA C 88 59.359 59.359 59.794 -0.435 17610 501 1 . 1 1 94 94 LYS CB C 88 31.292 31.292 32.132 -0.840 17610 502 1 . 1 1 94 94 LYS H H 88 8.456 8.456 8.305 0.151 17610 503 1 . 1 1 95 95 SER N N 89 115.491 115.491 115.382 0.109 17610 504 1 . 1 1 95 95 SER HA H 89 4.188 4.188 4.476 -0.288 17610 505 1 . 1 1 95 95 SER C C 89 175.751 175.751 176.476 -0.725 17610 506 1 . 1 1 95 95 SER CA C 89 61.751 61.751 61.523 0.228 17610 507 1 . 1 1 95 95 SER CB C 89 63.530 63.530 62.923 0.607 17610 508 1 . 1 1 95 95 SER H H 89 7.970 7.970 7.885 0.085 17610 509 1 . 1 1 96 96 PHE N N 90 125.899 125.899 121.847 4.052 17610 510 1 . 1 1 96 96 PHE HA H 90 4.037 4.037 4.115 -0.078 17610 511 1 . 1 1 96 96 PHE C C 90 177.267 177.267 176.868 0.399 17610 512 1 . 1 1 96 96 PHE CA C 90 59.688 59.688 60.449 -0.761 17610 513 1 . 1 1 96 96 PHE CB C 90 40.175 40.175 39.001 1.174 17610 514 1 . 1 1 96 96 PHE H H 90 7.419 7.419 7.907 -0.488 17610 515 1 . 1 1 97 97 GLU N N 91 122.834 122.834 117.568 5.266 17610 516 1 . 1 1 97 97 GLU HA H 91 3.787 3.787 3.853 -0.066 17610 517 1 . 1 1 97 97 GLU C C 91 179.628 179.628 178.306 1.323 17610 518 1 . 1 1 97 97 GLU CA C 91 59.004 59.004 59.275 -0.271 17610 519 1 . 1 1 97 97 GLU CB C 91 29.261 29.261 29.460 -0.199 17610 520 1 . 1 1 97 97 GLU H H 91 8.449 8.449 7.751 0.698 17610 521 1 . 1 1 98 98 ASP N N 92 118.617 118.617 120.455 -1.838 17610 522 1 . 1 1 98 98 ASP HA H 92 4.553 4.553 4.420 0.133 17610 523 1 . 1 1 98 98 ASP C C 92 177.582 177.582 178.658 -1.076 17610 524 1 . 1 1 98 98 ASP CA C 92 56.171 56.171 56.980 -0.809 17610 525 1 . 1 1 98 98 ASP CB C 92 41.184 41.184 40.525 0.659 17610 526 1 . 1 1 98 98 ASP H H 92 8.492 8.492 7.763 0.729 17610 527 1 . 1 1 99 99 ILE N N 93 121.939 121.939 118.354 3.585 17610 528 1 . 1 1 99 99 ILE HA H 93 3.954 3.954 4.029 -0.075 17610 529 1 . 1 1 99 99 ILE C C 93 177.442 177.442 177.675 -0.233 17610 530 1 . 1 1 99 99 ILE CA C 93 62.370 62.370 63.236 -0.867 17610 531 1 . 1 1 99 99 ILE CB C 93 34.570 34.570 36.659 -2.089 17610 532 1 . 1 1 99 99 ILE H H 93 7.583 7.583 8.120 -0.537 17610 533 1 . 1 1 100 100 HIS N N 94 118.387 118.387 119.450 -1.063 17610 534 1 . 1 1 100 100 HIS HA H 94 4.273 4.273 4.425 -0.152 17610 535 1 . 1 1 100 100 HIS C C 94 177.345 177.345 177.219 0.126 17610 536 1 . 1 1 100 100 HIS CA C 94 60.090 60.090 59.567 0.523 17610 537 1 . 1 1 100 100 HIS CB C 94 30.512 30.512 30.228 0.284 17610 538 1 . 1 1 100 100 HIS H H 94 7.799 7.799 7.519 0.280 17610 539 1 . 1 1 101 101 GLN N N 95 117.673 117.673 118.778 -1.105 17610 540 1 . 1 1 101 101 GLN HA H 95 3.941 3.941 3.868 0.073 17610 541 1 . 1 1 101 101 GLN C C 95 179.155 179.155 178.240 0.915 17610 542 1 . 1 1 101 101 GLN CA C 95 58.371 58.371 58.206 0.165 17610 543 1 . 1 1 101 101 GLN CB C 95 27.807 27.807 27.733 0.074 17610 544 1 . 1 1 101 101 GLN H H 95 7.468 7.468 7.685 -0.217 17610 545 1 . 1 1 102 102 TYR N N 96 120.407 120.407 120.375 0.032 17610 546 1 . 1 1 102 102 TYR HA H 96 4.064 4.064 4.128 -0.064 17610 547 1 . 1 1 102 102 TYR C C 96 177.660 177.660 178.017 -0.357 17610 548 1 . 1 1 102 102 TYR CA C 96 62.847 62.847 60.923 1.924 17610 549 1 . 1 1 102 102 TYR CB C 96 37.795 37.795 38.119 -0.324 17610 550 1 . 1 1 102 102 TYR H H 96 7.600 7.600 8.453 -0.853 17610 551 1 . 1 1 103 103 ARG N N 97 119.974 119.974 119.263 0.711 17610 552 1 . 1 1 103 103 ARG HA H 97 3.616 3.616 3.768 -0.152 17610 553 1 . 1 1 103 103 ARG C C 97 177.618 177.618 177.996 -0.378 17610 554 1 . 1 1 103 103 ARG CA C 97 59.938 59.938 59.528 0.410 17610 555 1 . 1 1 103 103 ARG CB C 97 28.599 28.599 29.615 -1.016 17610 556 1 . 1 1 103 103 ARG H H 97 8.395 8.395 7.631 0.764 17610 557 1 . 1 1 104 104 GLU N N 98 118.351 118.351 117.822 0.529 17610 558 1 . 1 1 104 104 GLU HA H 98 3.781 3.781 3.870 -0.089 17610 559 1 . 1 1 104 104 GLU C C 98 178.982 178.982 178.837 0.145 17610 560 1 . 1 1 104 104 GLU CA C 98 58.900 58.900 59.381 -0.481 17610 561 1 . 1 1 104 104 GLU CB C 98 29.435 29.435 28.889 0.546 17610 562 1 . 1 1 104 104 GLU H H 98 7.970 7.970 7.666 0.304 17610 563 1 . 1 1 105 105 GLN N N 99 121.350 121.350 118.278 3.072 17610 564 1 . 1 1 105 105 GLN HA H 99 3.946 3.946 4.064 -0.118 17610 565 1 . 1 1 105 105 GLN C C 99 177.701 177.701 178.274 -0.573 17610 566 1 . 1 1 105 105 GLN CA C 99 59.037 59.037 58.628 0.409 17610 567 1 . 1 1 105 105 GLN CB C 99 27.938 27.938 28.555 -0.617 17610 568 1 . 1 1 105 105 GLN H H 99 7.907 7.907 7.519 0.388 17610 569 1 . 1 1 106 106 ILE N N 100 121.310 121.310 120.545 0.765 17610 570 1 . 1 1 106 106 ILE HA H 100 3.177 3.177 3.404 -0.227 17610 571 1 . 1 1 106 106 ILE C C 100 177.199 177.199 178.042 -0.843 17610 572 1 . 1 1 106 106 ILE CA C 100 65.682 65.682 64.903 0.779 17610 573 1 . 1 1 106 106 ILE CB C 100 37.874 37.874 37.335 0.539 17610 574 1 . 1 1 106 106 ILE H H 100 7.920 7.920 7.358 0.562 17610 575 1 . 1 1 107 107 LYS N N 101 118.584 118.584 119.214 -0.630 17610 576 1 . 1 1 107 107 LYS HA H 101 3.951 3.951 4.124 -0.173 17610 577 1 . 1 1 107 107 LYS C C 101 179.476 179.476 179.051 0.425 17610 578 1 . 1 1 107 107 LYS CA C 101 59.571 59.571 59.173 0.398 17610 579 1 . 1 1 107 107 LYS CB C 101 32.227 32.227 31.813 0.414 17610 580 1 . 1 1 107 107 LYS H H 101 7.782 7.782 7.711 0.071 17610 581 1 . 1 1 108 108 ARG N N 102 119.152 119.152 119.053 0.099 17610 582 1 . 1 1 108 108 ARG HA H 102 4.082 4.082 4.001 0.081 17610 583 1 . 1 1 108 108 ARG C C 102 179.582 179.582 178.470 1.112 17610 584 1 . 1 1 108 108 ARG CA C 102 58.946 58.946 59.124 -0.178 17610 585 1 . 1 1 108 108 ARG CB C 102 30.097 30.097 30.146 -0.049 17610 586 1 . 1 1 108 108 ARG H H 102 7.777 7.777 7.319 0.458 17610 587 1 . 1 1 109 109 VAL N N 103 119.544 119.544 119.119 0.425 17610 588 1 . 1 1 109 109 VAL HA H 103 3.837 3.837 3.754 0.082 17610 589 1 . 1 1 109 109 VAL C C 103 177.919 177.919 177.864 0.055 17610 590 1 . 1 1 109 109 VAL CA C 103 65.393 65.393 65.429 -0.036 17610 591 1 . 1 1 109 109 VAL CB C 103 31.599 31.599 31.628 -0.029 17610 592 1 . 1 1 109 109 VAL H H 103 8.282 8.282 7.712 0.570 17610 593 1 . 1 1 110 110 LYS N N 104 117.592 117.592 117.361 0.231 17610 594 1 . 1 1 110 110 LYS HA H 104 4.269 4.269 4.219 0.050 17610 595 1 . 1 1 110 110 LYS C C 104 175.878 175.878 176.600 -0.722 17610 596 1 . 1 1 110 110 LYS CA C 104 54.797 54.797 56.613 -1.816 17610 597 1 . 1 1 110 110 LYS CB C 104 30.687 30.687 32.469 -1.782 17610 598 1 . 1 1 110 110 LYS H H 104 8.117 8.117 8.172 -0.055 17610 599 1 . 1 1 111 111 ASP N N 105 122.118 122.118 117.687 4.431 17610 600 1 . 1 1 111 111 ASP HA H 105 4.306 4.306 4.380 -0.074 17610 601 1 . 1 1 111 111 ASP C C 105 174.496 174.496 174.975 -0.479 17610 602 1 . 1 1 111 111 ASP CA C 105 54.442 54.442 55.281 -0.839 17610 603 1 . 1 1 111 111 ASP CB C 105 39.792 39.792 39.401 0.391 17610 604 1 . 1 1 111 111 ASP H H 105 7.958 7.958 7.896 0.062 17610 605 1 . 1 1 112 112 SER N N 106 110.372 110.372 112.191 -1.819 17610 606 1 . 1 1 112 112 SER HA H 106 4.565 4.565 4.636 -0.071 17610 607 1 . 1 1 112 112 SER C C 106 172.985 172.985 173.401 -0.416 17610 608 1 . 1 1 112 112 SER CA C 106 56.779 56.779 57.406 -0.627 17610 609 1 . 1 1 112 112 SER CB C 106 65.259 65.259 65.112 0.147 17610 610 1 . 1 1 112 112 SER H H 106 7.539 7.539 7.641 -0.102 17610 611 1 . 1 1 113 113 ASP N N 107 123.301 123.301 122.630 0.671 17610 612 1 . 1 1 113 113 ASP HA H 107 4.665 4.665 4.466 0.199 17610 613 1 . 1 1 113 113 ASP C C 107 176.066 176.066 175.785 0.281 17610 614 1 . 1 1 113 113 ASP CA C 107 54.267 54.267 55.724 -1.456 17610 615 1 . 1 1 113 113 ASP CB C 107 41.837 41.837 41.116 0.721 17610 616 1 . 1 1 113 113 ASP H H 107 8.385 8.385 8.667 -0.282 17610 617 1 . 1 1 114 114 ASP N N 108 122.347 122.347 120.571 1.776 17610 618 1 . 1 1 114 114 ASP HA H 108 4.882 4.882 4.686 0.196 17610 619 1 . 1 1 114 114 ASP C C 108 174.386 174.386 175.280 -0.894 17610 620 1 . 1 1 114 114 ASP CA C 108 53.143 53.143 53.852 -0.709 17610 621 1 . 1 1 114 114 ASP CB C 108 41.323 41.323 40.158 1.165 17610 622 1 . 1 1 114 114 ASP H H 108 8.404 8.404 8.164 0.240 17610 623 1 . 1 1 115 115 VAL N N 109 123.609 123.609 120.240 3.369 17610 624 1 . 1 1 115 115 VAL HA H 109 4.337 4.337 4.453 -0.116 17610 625 1 . 1 1 115 115 VAL CA C 109 58.984 58.984 57.949 1.035 17610 626 1 . 1 1 115 115 VAL CB C 109 34.932 34.932 33.938 0.994 17610 627 1 . 1 1 115 115 VAL H H 109 7.649 7.649 7.599 0.050 17610 628 1 . 1 1 116 116 PRO HA H 110 4.430 4.430 4.588 -0.158 17610 629 1 . 1 1 116 116 PRO C C 110 175.942 175.942 175.682 0.260 17610 630 1 . 1 1 116 116 PRO CA C 110 63.872 63.872 63.158 0.714 17610 631 1 . 1 1 116 116 PRO CB C 110 32.120 32.120 30.693 1.427 17610 632 1 . 1 1 117 117 MET N N 111 124.020 124.020 119.801 4.219 17610 633 1 . 1 1 117 117 MET HA H 111 5.777 5.777 5.475 0.302 17610 634 1 . 1 1 117 117 MET C C 111 173.737 173.737 173.985 -0.248 17610 635 1 . 1 1 117 117 MET CA C 111 55.094 55.094 54.494 0.600 17610 636 1 . 1 1 117 117 MET CB C 111 37.889 37.889 37.071 0.818 17610 637 1 . 1 1 117 117 MET H H 111 8.274 8.274 7.811 0.463 17610 638 1 . 1 1 118 118 VAL N N 112 118.747 118.747 116.207 2.540 17610 639 1 . 1 1 118 118 VAL HA H 112 4.341 4.341 4.527 -0.186 17610 640 1 . 1 1 118 118 VAL C C 112 173.171 173.171 173.553 -0.382 17610 641 1 . 1 1 118 118 VAL CA C 112 60.943 60.943 60.674 0.269 17610 642 1 . 1 1 118 118 VAL CB C 112 37.030 37.030 36.600 0.430 17610 643 1 . 1 1 118 118 VAL H H 112 8.119 8.119 8.528 -0.409 17610 644 1 . 1 1 119 119 LEU N N 113 129.931 129.931 127.269 2.662 17610 645 1 . 1 1 119 119 LEU HA H 113 5.157 5.157 5.229 -0.072 17610 646 1 . 1 1 119 119 LEU C C 113 173.496 173.496 174.986 -1.490 17610 647 1 . 1 1 119 119 LEU CA C 113 53.828 53.828 53.303 0.525 17610 648 1 . 1 1 119 119 LEU CB C 113 43.876 43.876 43.811 0.065 17610 649 1 . 1 1 119 119 LEU H H 113 8.918 8.918 8.169 0.749 17610 650 1 . 1 1 120 120 VAL N N 114 129.371 129.371 126.320 3.051 17610 651 1 . 1 1 120 120 VAL HA H 114 5.117 5.117 5.028 0.088 17610 652 1 . 1 1 120 120 VAL C C 114 173.667 173.667 175.452 -1.785 17610 653 1 . 1 1 120 120 VAL CA C 114 60.124 60.124 60.107 0.017 17610 654 1 . 1 1 120 120 VAL CB C 114 35.225 35.225 34.115 1.111 17610 655 1 . 1 1 120 120 VAL H H 114 9.173 9.173 9.039 0.134 17610 656 1 . 1 1 121 121 GLY N N 115 115.789 115.789 112.150 3.639 17610 657 1 . 1 1 121 121 GLY C C 115 171.603 171.603 173.664 -2.061 17610 658 1 . 1 1 121 121 GLY CA C 115 45.256 45.256 43.737 1.519 17610 659 1 . 1 1 121 121 GLY H H 115 8.046 8.046 8.788 -0.742 17610 660 1 . 1 1 122 122 ASN N N 116 122.349 122.349 123.289 -0.940 17610 661 1 . 1 1 122 122 ASN HA H 116 5.620 5.620 4.639 0.981 17610 662 1 . 1 1 122 122 ASN C C 116 174.732 174.732 175.311 -0.579 17610 663 1 . 1 1 122 122 ASN CA C 116 51.492 51.492 53.022 -1.530 17610 664 1 . 1 1 122 122 ASN CB C 116 41.323 41.323 39.917 1.406 17610 665 1 . 1 1 122 122 ASN H H 116 8.756 8.756 7.812 0.944 17610 666 1 . 1 1 123 123 LYS N N 117 113.297 113.297 116.413 -3.116 17610 667 1 . 1 1 123 123 LYS HA H 117 4.280 4.280 3.949 0.331 17610 668 1 . 1 1 123 123 LYS C C 117 177.324 177.324 175.494 1.830 17610 669 1 . 1 1 123 123 LYS CA C 117 57.273 57.273 57.394 -0.121 17610 670 1 . 1 1 123 123 LYS CB C 117 29.775 29.775 29.998 -0.223 17610 671 1 . 1 1 123 123 LYS H H 117 7.342 7.342 8.762 -1.420 17610 672 1 . 1 1 124 124 CYS N N 118 115.340 115.340 117.679 -2.340 17610 673 1 . 1 1 124 124 CYS HA H 118 4.292 4.292 4.373 -0.081 17610 674 1 . 1 1 124 124 CYS C C 118 173.325 173.325 174.876 -1.551 17610 675 1 . 1 1 124 124 CYS CA C 118 60.698 60.698 58.816 1.882 17610 676 1 . 1 1 124 124 CYS CB C 118 26.387 26.387 27.870 -1.483 17610 677 1 . 1 1 124 124 CYS H H 118 8.763 8.763 8.236 0.527 17610 678 1 . 1 1 125 125 ASP N N 119 118.603 118.603 119.964 -1.361 17610 679 1 . 1 1 125 125 ASP HA H 119 4.476 4.476 4.557 -0.081 17610 680 1 . 1 1 125 125 ASP C C 119 175.464 175.464 176.234 -0.770 17610 681 1 . 1 1 125 125 ASP CA C 119 53.951 53.951 54.895 -0.944 17610 682 1 . 1 1 125 125 ASP CB C 119 41.323 41.323 40.737 0.586 17610 683 1 . 1 1 125 125 ASP H H 119 8.613 8.613 8.170 0.443 17610 684 1 . 1 1 126 126 LEU N N 120 122.098 122.098 120.335 1.763 17610 685 1 . 1 1 126 126 LEU HA H 120 4.241 4.241 4.230 0.011 17610 686 1 . 1 1 126 126 LEU C C 120 176.420 176.420 176.975 -0.555 17610 687 1 . 1 1 126 126 LEU CA C 120 54.723 54.723 55.161 -0.438 17610 688 1 . 1 1 126 126 LEU CB C 120 41.837 41.837 42.394 -0.557 17610 689 1 . 1 1 126 126 LEU H H 120 7.802 7.802 7.715 0.087 17610 690 1 . 1 1 127 127 ALA N N 121 123.959 123.959 123.428 0.531 17610 691 1 . 1 1 127 127 ALA HA H 121 4.214 4.214 4.399 -0.185 17610 692 1 . 1 1 127 127 ALA C C 121 178.717 178.717 176.565 2.152 17610 693 1 . 1 1 127 127 ALA CA C 121 53.179 53.179 52.199 0.980 17610 694 1 . 1 1 127 127 ALA CB C 121 18.871 18.871 18.866 0.005 17610 695 1 . 1 1 127 127 ALA H H 121 8.160 8.160 8.407 -0.247 17610 696 1 . 1 1 128 128 ALA N N 122 123.078 123.078 122.097 0.981 17610 697 1 . 1 1 128 128 ALA HA H 122 4.524 4.524 4.515 0.009 17610 698 1 . 1 1 128 128 ALA C C 122 175.272 175.272 176.077 -0.805 17610 699 1 . 1 1 128 128 ALA CA C 122 51.259 51.259 51.531 -0.272 17610 700 1 . 1 1 128 128 ALA CB C 122 17.623 17.623 19.393 -1.770 17610 701 1 . 1 1 128 128 ALA H H 122 7.698 7.698 7.807 -0.109 17610 702 1 . 1 1 129 129 ARG N N 123 121.454 121.454 120.923 0.531 17610 703 1 . 1 1 129 129 ARG HA H 123 4.093 4.093 4.368 -0.275 17610 704 1 . 1 1 129 129 ARG C C 123 176.271 176.271 175.919 0.352 17610 705 1 . 1 1 129 129 ARG CA C 123 55.596 55.596 55.831 -0.235 17610 706 1 . 1 1 129 129 ARG CB C 123 32.696 32.696 30.328 2.368 17610 707 1 . 1 1 129 129 ARG H H 123 7.992 7.992 8.008 -0.015 17610 708 1 . 1 1 130 130 THR N N 124 115.617 115.617 114.596 1.021 17610 709 1 . 1 1 130 130 THR HA H 124 4.564 4.564 4.367 0.197 17610 710 1 . 1 1 130 130 THR C C 124 174.119 174.119 175.232 -1.113 17610 711 1 . 1 1 130 130 THR CA C 124 61.746 61.746 63.078 -1.332 17610 712 1 . 1 1 130 130 THR CB C 124 69.094 69.094 69.995 -0.901 17610 713 1 . 1 1 130 130 THR H H 124 9.145 9.145 8.671 0.474 17610 714 1 . 1 1 131 131 VAL N N 125 125.688 125.688 124.877 0.811 17610 715 1 . 1 1 131 131 VAL HA H 125 4.015 4.015 4.091 -0.076 17610 716 1 . 1 1 131 131 VAL C C 125 175.658 175.658 174.905 0.753 17610 717 1 . 1 1 131 131 VAL CA C 125 61.373 61.373 61.617 -0.244 17610 718 1 . 1 1 131 131 VAL CB C 125 33.147 33.147 31.653 1.494 17610 719 1 . 1 1 131 131 VAL H H 125 7.618 7.618 8.027 -0.409 17610 720 1 . 1 1 132 132 GLU N N 126 128.319 128.319 126.873 1.446 17610 721 1 . 1 1 132 132 GLU HA H 126 4.228 4.228 4.218 0.010 17610 722 1 . 1 1 132 132 GLU C C 126 177.986 177.986 177.260 0.726 17610 723 1 . 1 1 132 132 GLU CA C 126 56.323 56.323 56.344 -0.021 17610 724 1 . 1 1 132 132 GLU CB C 126 30.158 30.158 30.270 -0.111 17610 725 1 . 1 1 132 132 GLU H H 126 8.727 8.727 8.224 0.503 17610 726 1 . 1 1 133 133 SER N N 127 122.970 122.970 116.787 6.183 17610 727 1 . 1 1 133 133 SER HA H 127 4.074 4.074 4.190 -0.116 17610 728 1 . 1 1 133 133 SER C C 127 176.633 176.633 176.284 0.349 17610 729 1 . 1 1 133 133 SER CA C 127 62.598 62.598 61.493 1.105 17610 730 1 . 1 1 133 133 SER CB C 127 62.511 62.511 63.169 -0.658 17610 731 1 . 1 1 133 133 SER H H 127 9.421 9.421 8.817 0.604 17610 732 1 . 1 1 134 134 ARG N N 128 119.141 119.141 121.320 -2.179 17610 733 1 . 1 1 134 134 ARG HA H 128 4.028 4.028 4.016 0.012 17610 734 1 . 1 1 134 134 ARG C C 128 177.739 177.739 178.282 -0.543 17610 735 1 . 1 1 134 134 ARG CA C 128 58.785 58.785 58.932 -0.147 17610 736 1 . 1 1 134 134 ARG CB C 128 29.752 29.752 29.252 0.501 17610 737 1 . 1 1 134 134 ARG H H 128 8.675 8.675 8.463 0.212 17610 738 1 . 1 1 135 135 GLN N N 129 118.050 118.050 118.037 0.013 17610 739 1 . 1 1 135 135 GLN HA H 129 4.091 4.091 3.982 0.109 17610 740 1 . 1 1 135 135 GLN C C 129 179.009 179.009 177.777 1.232 17610 741 1 . 1 1 135 135 GLN CA C 129 58.389 58.389 58.837 -0.448 17610 742 1 . 1 1 135 135 GLN CB C 129 28.916 28.916 28.211 0.705 17610 743 1 . 1 1 135 135 GLN H H 129 6.796 6.796 8.033 -1.237 17610 744 1 . 1 1 136 136 ALA N N 130 124.769 124.769 121.309 3.460 17610 745 1 . 1 1 136 136 ALA HA H 130 3.933 3.933 3.591 0.342 17610 746 1 . 1 1 136 136 ALA C C 130 178.155 178.155 179.508 -1.353 17610 747 1 . 1 1 136 136 ALA CA C 130 54.760 54.760 54.486 0.274 17610 748 1 . 1 1 136 136 ALA CB C 130 18.546 18.546 17.734 0.812 17610 749 1 . 1 1 136 136 ALA H H 130 7.017 7.017 7.376 -0.359 17610 750 1 . 1 1 137 137 GLN N N 131 119.215 119.215 117.652 1.563 17610 751 1 . 1 1 137 137 GLN HA H 131 3.720 3.720 3.774 -0.054 17610 752 1 . 1 1 137 137 GLN C C 131 179.387 179.387 178.014 1.373 17610 753 1 . 1 1 137 137 GLN CA C 131 58.815 58.815 59.349 -0.534 17610 754 1 . 1 1 137 137 GLN CB C 131 28.503 28.503 28.510 -0.007 17610 755 1 . 1 1 137 137 GLN H H 131 8.602 8.602 8.159 0.443 17610 756 1 . 1 1 138 138 ASP N N 132 121.298 121.298 120.761 0.537 17610 757 1 . 1 1 138 138 ASP HA H 132 4.371 4.371 4.340 0.031 17610 758 1 . 1 1 138 138 ASP C C 132 178.855 178.855 178.529 0.326 17610 759 1 . 1 1 138 138 ASP CA C 132 57.425 57.425 57.337 0.088 17610 760 1 . 1 1 138 138 ASP CB C 132 40.860 40.860 40.729 0.131 17610 761 1 . 1 1 138 138 ASP H H 132 8.203 8.203 7.946 0.257 17610 762 1 . 1 1 139 139 LEU N N 133 124.786 124.786 120.488 4.298 17610 763 1 . 1 1 139 139 LEU HA H 133 3.888 3.888 3.940 -0.052 17610 764 1 . 1 1 139 139 LEU C C 133 178.953 178.953 178.072 0.880 17610 765 1 . 1 1 139 139 LEU CA C 133 57.827 57.827 57.611 0.216 17610 766 1 . 1 1 139 139 LEU CB C 133 41.837 41.837 41.643 0.194 17610 767 1 . 1 1 139 139 LEU H H 133 7.485 7.485 7.351 0.134 17610 768 1 . 1 1 140 140 ALA N N 134 123.038 123.038 121.523 1.515 17610 769 1 . 1 1 140 140 ALA HA H 134 3.783 3.783 3.964 -0.181 17610 770 1 . 1 1 140 140 ALA C C 134 179.902 179.902 179.247 0.655 17610 771 1 . 1 1 140 140 ALA CA C 134 55.832 55.832 55.323 0.509 17610 772 1 . 1 1 140 140 ALA CB C 134 18.120 18.120 18.372 -0.252 17610 773 1 . 1 1 140 140 ALA H H 134 8.426 8.426 7.731 0.695 17610 774 1 . 1 1 141 141 ARG N N 135 119.537 119.537 117.825 1.712 17610 775 1 . 1 1 141 141 ARG HA H 135 4.194 4.194 4.022 0.173 17610 776 1 . 1 1 141 141 ARG C C 135 180.037 180.037 178.520 1.517 17610 777 1 . 1 1 141 141 ARG CA C 135 59.331 59.331 59.175 0.156 17610 778 1 . 1 1 141 141 ARG CB C 135 29.864 29.864 30.130 -0.266 17610 779 1 . 1 1 141 141 ARG H H 135 8.459 8.459 8.500 -0.041 17610 780 1 . 1 1 142 142 SER N N 136 118.958 118.958 113.650 5.308 17610 781 1 . 1 1 142 142 SER HA H 136 4.277 4.277 4.250 0.027 17610 782 1 . 1 1 142 142 SER C C 136 176.127 176.127 175.871 0.256 17610 783 1 . 1 1 142 142 SER CA C 136 61.509 61.509 60.597 0.912 17610 784 1 . 1 1 142 142 SER CB C 136 62.529 62.529 63.123 -0.594 17610 785 1 . 1 1 142 142 SER H H 136 7.944 7.944 7.548 0.396 17610 786 1 . 1 1 143 143 TYR N N 137 121.309 121.309 118.858 2.451 17610 787 1 . 1 1 143 143 TYR HA H 137 4.907 4.907 4.459 0.448 17610 788 1 . 1 1 143 143 TYR C C 137 176.279 176.279 176.578 -0.299 17610 789 1 . 1 1 143 143 TYR CA C 137 54.737 54.737 57.595 -2.858 17610 790 1 . 1 1 143 143 TYR CB C 137 38.830 38.830 38.850 -0.020 17610 791 1 . 1 1 143 143 TYR H H 137 7.623 7.623 7.535 0.088 17610 792 1 . 1 1 144 144 GLY N N 138 112.193 112.193 107.326 4.867 17610 793 1 . 1 1 144 144 GLY C C 138 175.077 175.077 174.471 0.606 17610 794 1 . 1 1 144 144 GLY CA C 138 46.439 46.439 45.457 0.982 17610 795 1 . 1 1 144 144 GLY H H 138 8.328 8.328 7.740 0.588 17610 796 1 . 1 1 145 145 ILE N N 139 114.227 114.227 116.389 -2.162 17610 797 1 . 1 1 145 145 ILE HA H 139 5.241 5.241 4.784 0.457 17610 798 1 . 1 1 145 145 ILE CA C 139 58.420 58.420 57.890 0.530 17610 799 1 . 1 1 145 145 ILE CB C 139 38.543 38.543 39.009 -0.466 17610 800 1 . 1 1 145 145 ILE H H 139 8.059 8.059 7.579 0.480 17610 801 1 . 1 1 146 146 PRO HA H 140 4.627 4.627 4.499 0.128 17610 802 1 . 1 1 146 146 PRO C C 140 174.570 174.570 175.275 -0.705 17610 803 1 . 1 1 146 146 PRO CA C 140 62.362 62.362 62.413 -0.051 17610 804 1 . 1 1 146 146 PRO CB C 140 33.057 33.057 32.553 0.504 17610 805 1 . 1 1 147 147 TYR N N 141 121.135 121.135 121.405 -0.270 17610 806 1 . 1 1 147 147 TYR HA H 141 5.997 5.997 5.462 0.535 17610 807 1 . 1 1 147 147 TYR C C 141 174.492 174.492 174.584 -0.092 17610 808 1 . 1 1 147 147 TYR CA C 141 54.912 54.912 56.261 -1.349 17610 809 1 . 1 1 147 147 TYR CB C 141 40.972 40.972 40.408 0.564 17610 810 1 . 1 1 147 147 TYR H H 141 8.252 8.252 8.372 -0.120 17610 811 1 . 1 1 148 148 ILE N N 142 131.362 131.362 127.988 3.374 17610 812 1 . 1 1 148 148 ILE HA H 142 3.948 3.948 4.235 -0.287 17610 813 1 . 1 1 148 148 ILE C C 142 172.977 172.977 174.234 -1.257 17610 814 1 . 1 1 148 148 ILE CA C 142 59.383 59.383 59.628 -0.245 17610 815 1 . 1 1 148 148 ILE CB C 142 42.260 42.260 41.656 0.604 17610 816 1 . 1 1 148 148 ILE H H 142 8.495 8.495 8.352 0.143 17610 817 1 . 1 1 149 149 GLU N N 143 125.874 125.874 123.327 2.547 17610 818 1 . 1 1 149 149 GLU HA H 143 4.788 4.788 4.592 0.196 17610 819 1 . 1 1 149 149 GLU C C 143 176.128 176.128 175.412 0.716 17610 820 1 . 1 1 149 149 GLU CA C 143 55.647 55.647 55.246 0.401 17610 821 1 . 1 1 149 149 GLU CB C 143 29.727 29.727 31.655 -1.928 17610 822 1 . 1 1 149 149 GLU H H 143 7.827 7.827 8.518 -0.691 17610 823 1 . 1 1 150 150 THR N N 144 113.629 113.629 113.803 -0.174 17610 824 1 . 1 1 150 150 THR HA H 144 5.081 5.081 5.284 -0.203 17610 825 1 . 1 1 150 150 THR C C 144 176.136 176.136 173.152 2.984 17610 826 1 . 1 1 150 150 THR CA C 144 59.464 59.464 59.626 -0.162 17610 827 1 . 1 1 150 150 THR CB C 144 73.639 73.639 71.617 2.022 17610 828 1 . 1 1 150 150 THR H H 144 8.800 8.800 8.267 0.533 17610 829 1 . 1 1 151 151 SER N N 145 113.706 113.706 114.911 -1.205 17610 830 1 . 1 1 151 151 SER HA H 145 4.883 4.883 5.014 -0.131 17610 831 1 . 1 1 151 151 SER C C 145 175.707 175.707 173.770 1.937 17610 832 1 . 1 1 151 151 SER CA C 145 57.438 57.438 57.031 0.407 17610 833 1 . 1 1 151 151 SER CB C 145 64.470 64.470 65.842 -1.372 17610 834 1 . 1 1 151 151 SER H H 145 8.807 8.807 8.136 0.671 17610 835 1 . 1 1 152 152 ALA N N 146 133.500 133.500 128.508 4.992 17610 836 1 . 1 1 152 152 ALA HA H 146 3.890 3.890 4.082 -0.192 17610 837 1 . 1 1 152 152 ALA C C 146 175.632 175.632 177.626 -1.994 17610 838 1 . 1 1 152 152 ALA CA C 146 54.416 54.416 54.582 -0.166 17610 839 1 . 1 1 152 152 ALA CB C 146 18.605 18.605 18.781 -0.176 17610 840 1 . 1 1 152 152 ALA H H 146 9.134 9.134 8.644 0.490 17610 841 1 . 1 1 153 153 LYS N N 147 117.223 117.223 117.466 -0.243 17610 842 1 . 1 1 153 153 LYS HA H 147 2.616 2.616 4.093 -1.477 17610 843 1 . 1 1 153 153 LYS C C 147 177.045 177.045 177.519 -0.474 17610 844 1 . 1 1 153 153 LYS CA C 147 58.119 58.119 58.596 -0.477 17610 845 1 . 1 1 153 153 LYS CB C 147 33.956 33.956 32.373 1.583 17610 846 1 . 1 1 153 153 LYS H H 147 7.042 7.042 8.212 -1.170 17610 847 1 . 1 1 154 154 THR N N 148 107.404 107.404 108.987 -1.583 17610 848 1 . 1 1 154 154 THR HA H 148 4.157 4.157 4.252 -0.095 17610 849 1 . 1 1 154 154 THR C C 148 175.979 175.979 174.595 1.384 17610 850 1 . 1 1 154 154 THR CA C 148 61.489 61.489 62.187 -0.698 17610 851 1 . 1 1 154 154 THR CB C 148 69.911 69.911 69.162 0.749 17610 852 1 . 1 1 154 154 THR H H 148 7.721 7.721 7.815 -0.094 17610 853 1 . 1 1 155 155 ARG N N 149 119.268 119.268 119.699 -0.431 17610 854 1 . 1 1 155 155 ARG HA H 149 3.476 3.476 3.965 -0.488 17610 855 1 . 1 1 155 155 ARG C C 149 175.481 175.481 174.265 1.216 17610 856 1 . 1 1 155 155 ARG CA C 149 59.653 59.653 56.915 2.738 17610 857 1 . 1 1 155 155 ARG CB C 149 30.445 30.445 27.937 2.508 17610 858 1 . 1 1 155 155 ARG H H 149 7.814 7.814 7.908 -0.094 17610 859 1 . 1 1 156 156 GLN N N 150 125.391 125.391 121.947 3.444 17610 860 1 . 1 1 156 156 GLN HA H 150 4.065 4.065 4.460 -0.395 17610 861 1 . 1 1 156 156 GLN C C 150 177.007 177.007 175.979 1.028 17610 862 1 . 1 1 156 156 GLN CA C 150 57.433 57.433 55.179 2.254 17610 863 1 . 1 1 156 156 GLN CB C 150 28.472 28.472 30.502 -2.030 17610 864 1 . 1 1 156 156 GLN H H 150 7.833 7.833 7.642 0.191 17610 865 1 . 1 1 157 157 GLY N N 151 116.380 116.380 114.231 2.149 17610 866 1 . 1 1 157 157 GLY C C 151 173.581 173.581 174.863 -1.282 17610 867 1 . 1 1 157 157 GLY CA C 151 46.945 46.945 46.452 0.493 17610 868 1 . 1 1 157 157 GLY H H 151 8.936 8.936 9.022 -0.086 17610 869 1 . 1 1 158 158 VAL N N 152 121.822 121.822 119.224 2.599 17610 870 1 . 1 1 158 158 VAL HA H 152 3.221 3.221 3.562 -0.341 17610 871 1 . 1 1 158 158 VAL C C 152 177.006 177.006 177.633 -0.627 17610 872 1 . 1 1 158 158 VAL CA C 152 68.314 68.314 65.775 2.539 17610 873 1 . 1 1 158 158 VAL CB C 152 31.473 31.473 31.617 -0.144 17610 874 1 . 1 1 158 158 VAL H H 152 7.099 7.099 7.990 -0.891 17610 875 1 . 1 1 159 159 GLU N N 153 118.087 118.087 118.268 -0.181 17610 876 1 . 1 1 159 159 GLU HA H 153 3.305 3.305 3.883 -0.578 17610 877 1 . 1 1 159 159 GLU C C 153 177.163 177.163 178.369 -1.206 17610 878 1 . 1 1 159 159 GLU CA C 153 60.407 60.407 59.816 0.591 17610 879 1 . 1 1 159 159 GLU CB C 153 28.787 28.787 28.684 0.103 17610 880 1 . 1 1 159 159 GLU H H 153 8.271 8.271 8.703 -0.432 17610 881 1 . 1 1 160 160 ASP N N 154 117.624 117.624 119.770 -2.146 17610 882 1 . 1 1 160 160 ASP HA H 154 4.205 4.205 4.527 -0.322 17610 883 1 . 1 1 160 160 ASP C C 154 179.366 179.366 178.043 1.323 17610 884 1 . 1 1 160 160 ASP CA C 154 57.288 57.288 57.352 -0.064 17610 885 1 . 1 1 160 160 ASP CB C 154 40.040 40.040 40.452 -0.412 17610 886 1 . 1 1 160 160 ASP H H 154 8.145 8.145 8.246 -0.101 17610 887 1 . 1 1 161 161 ALA N N 155 125.270 125.270 121.910 3.360 17610 888 1 . 1 1 161 161 ALA HA H 155 3.749 3.749 4.028 -0.279 17610 889 1 . 1 1 161 161 ALA C C 155 177.684 177.684 179.643 -1.959 17610 890 1 . 1 1 161 161 ALA CA C 155 56.295 56.295 54.758 1.537 17610 891 1 . 1 1 161 161 ALA CB C 155 17.397 17.397 18.375 -0.979 17610 892 1 . 1 1 161 161 ALA H H 155 8.603 8.603 7.447 1.156 17610 893 1 . 1 1 162 162 PHE N N 156 113.772 113.772 117.860 -4.088 17610 894 1 . 1 1 162 162 PHE HA H 156 3.912 3.912 4.113 -0.201 17610 895 1 . 1 1 162 162 PHE C C 156 177.975 177.975 178.028 -0.053 17610 896 1 . 1 1 162 162 PHE CA C 156 62.851 62.851 61.718 1.133 17610 897 1 . 1 1 162 162 PHE CB C 156 39.472 39.472 38.543 0.929 17610 898 1 . 1 1 162 162 PHE H H 156 7.236 7.236 7.465 -0.229 17610 899 1 . 1 1 163 163 TYR N N 157 120.499 120.499 117.761 2.738 17610 900 1 . 1 1 163 163 TYR HA H 157 4.355 4.355 4.167 0.188 17610 901 1 . 1 1 163 163 TYR C C 157 179.097 179.097 178.217 0.880 17610 902 1 . 1 1 163 163 TYR CA C 157 58.309 58.309 60.454 -2.145 17610 903 1 . 1 1 163 163 TYR CB C 157 35.012 35.012 37.259 -2.248 17610 904 1 . 1 1 163 163 TYR H H 157 9.573 9.573 8.645 0.928 17610 905 1 . 1 1 164 164 THR N N 158 118.206 118.206 115.584 2.622 17610 906 1 . 1 1 164 164 THR HA H 158 3.903 3.903 3.986 -0.083 17610 907 1 . 1 1 164 164 THR C C 158 175.656 175.656 176.336 -0.680 17610 908 1 . 1 1 164 164 THR CA C 158 67.484 67.484 66.285 1.199 17610 909 1 . 1 1 164 164 THR CB C 158 67.819 67.819 68.327 -0.508 17610 910 1 . 1 1 164 164 THR H H 158 8.538 8.538 7.952 0.586 17610 911 1 . 1 1 165 165 LEU N N 159 122.864 122.864 121.967 0.897 17610 912 1 . 1 1 165 165 LEU HA H 159 3.871 3.871 4.092 -0.221 17610 913 1 . 1 1 165 165 LEU C C 159 177.513 177.513 177.934 -0.421 17610 914 1 . 1 1 165 165 LEU CA C 159 57.991 57.991 57.977 0.014 17610 915 1 . 1 1 165 165 LEU CB C 159 40.181 40.181 41.122 -0.941 17610 916 1 . 1 1 165 165 LEU H H 159 7.232 7.232 7.730 -0.498 17610 917 1 . 1 1 166 166 VAL N N 160 120.322 120.322 118.700 1.622 17610 918 1 . 1 1 166 166 VAL HA H 160 3.045 3.045 3.322 -0.277 17610 919 1 . 1 1 166 166 VAL C C 160 177.474 177.474 178.248 -0.774 17610 920 1 . 1 1 166 166 VAL CA C 160 67.389 67.389 66.323 1.066 17610 921 1 . 1 1 166 166 VAL CB C 160 30.944 30.944 30.832 0.112 17610 922 1 . 1 1 166 166 VAL H H 160 7.517 7.517 7.411 0.106 17610 923 1 . 1 1 167 167 ARG N N 161 120.151 120.151 118.891 1.260 17610 924 1 . 1 1 167 167 ARG HA H 161 3.772 3.772 3.980 -0.208 17610 925 1 . 1 1 167 167 ARG C C 161 179.030 179.030 178.792 0.239 17610 926 1 . 1 1 167 167 ARG CA C 161 60.935 60.935 59.705 1.230 17610 927 1 . 1 1 167 167 ARG CB C 161 29.586 29.586 29.921 -0.335 17610 928 1 . 1 1 167 167 ARG H H 161 8.044 8.044 7.564 0.480 17610 929 1 . 1 1 168 168 GLU N N 162 119.201 119.201 120.111 -0.910 17610 930 1 . 1 1 168 168 GLU HA H 162 4.050 4.050 4.148 -0.098 17610 931 1 . 1 1 168 168 GLU C C 162 179.805 179.805 179.124 0.681 17610 932 1 . 1 1 168 168 GLU CA C 162 58.867 58.867 59.227 -0.360 17610 933 1 . 1 1 168 168 GLU CB C 162 30.330 30.330 29.365 0.965 17610 934 1 . 1 1 168 168 GLU H H 162 8.171 8.171 7.671 0.500 17610 935 1 . 1 1 169 169 ILE N N 163 123.244 123.244 119.776 3.468 17610 936 1 . 1 1 169 169 ILE HA H 163 3.583 3.583 3.748 -0.165 17610 937 1 . 1 1 169 169 ILE C C 163 178.906 178.906 178.428 0.478 17610 938 1 . 1 1 169 169 ILE CA C 163 66.023 66.023 65.264 0.759 17610 939 1 . 1 1 169 169 ILE CB C 163 38.204 38.204 37.772 0.432 17610 940 1 . 1 1 169 169 ILE H H 163 8.174 8.174 8.150 0.024 17610 941 1 . 1 1 170 170 ARG N N 164 119.842 119.842 118.889 0.953 17610 942 1 . 1 1 170 170 ARG HA H 164 4.140 4.140 4.076 0.064 17610 943 1 . 1 1 170 170 ARG C C 164 177.532 177.532 178.365 -0.833 17610 944 1 . 1 1 170 170 ARG CA C 164 58.944 58.944 59.007 -0.063 17610 945 1 . 1 1 170 170 ARG CB C 164 31.206 31.206 30.105 1.101 17610 946 1 . 1 1 170 170 ARG H H 164 8.405 8.405 7.836 0.569 17610 947 1 . 1 1 171 171 GLN N N 165 116.762 116.762 115.883 0.879 17610 948 1 . 1 1 171 171 GLN HA H 165 4.343 4.343 4.194 0.149 17610 949 1 . 1 1 171 171 GLN C C 165 175.218 175.218 176.505 -1.287 17610 950 1 . 1 1 171 171 GLN CA C 165 56.100 56.100 57.416 -1.316 17610 951 1 . 1 1 171 171 GLN CB C 165 29.236 29.236 29.165 0.071 17610 952 1 . 1 1 171 171 GLN H H 165 7.646 7.646 7.778 -0.132 17610 stop_ save_