data_19288 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19288 _Entry.PDB_ID 2M9A 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 19288 _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 10 10 HIS HA H 10 4.620 4.620 4.985 -0.365 19288 2 1 1 . 1 1 10 10 HIS CA C 10 56.302 56.302 54.793 1.509 19288 3 1 1 . 1 1 10 10 HIS CB C 10 30.312 30.312 31.492 -1.180 19288 4 1 1 . 1 1 11 11 MET N N 11 121.464 121.464 124.859 -3.395 19288 5 1 1 . 1 1 11 11 MET HA H 11 4.387 4.387 4.759 -0.372 19288 6 1 1 . 1 1 11 11 MET CA C 11 55.835 55.835 55.343 0.492 19288 7 1 1 . 1 1 11 11 MET CB C 11 32.794 32.794 34.731 -1.937 19288 8 1 1 . 1 1 11 11 MET H H 11 8.178 8.178 8.302 -0.124 19288 9 1 1 . 1 1 12 12 ARG N N 12 121.614 121.614 122.009 -0.395 19288 10 1 1 . 1 1 12 12 ARG HA H 12 4.244 4.244 4.260 -0.016 19288 11 1 1 . 1 1 12 12 ARG CA C 12 55.802 55.802 57.593 -1.791 19288 12 1 1 . 1 1 12 12 ARG CB C 12 31.110 31.110 30.572 0.538 19288 13 1 1 . 1 1 12 12 ARG H H 12 8.209 8.209 8.477 -0.269 19288 14 1 1 . 1 1 13 13 ASP N N 13 119.634 119.634 118.506 1.128 19288 15 1 1 . 1 1 13 13 ASP HA H 13 4.667 4.667 4.583 0.084 19288 16 1 1 . 1 1 13 13 ASP C C 13 175.723 175.723 173.827 1.896 19288 17 1 1 . 1 1 13 13 ASP CA C 13 54.112 54.112 53.573 0.539 19288 18 1 1 . 1 1 13 13 ASP CB C 13 42.459 42.459 42.330 0.129 19288 19 1 1 . 1 1 13 13 ASP H H 13 7.858 7.858 7.508 0.350 19288 20 1 1 . 1 1 14 14 TYR N N 14 120.932 120.932 119.440 1.492 19288 21 1 1 . 1 1 14 14 TYR HA H 14 4.534 4.534 4.717 -0.183 19288 22 1 1 . 1 1 14 14 TYR C C 14 174.767 174.767 176.259 -1.492 19288 23 1 1 . 1 1 14 14 TYR CA C 14 57.521 57.521 57.748 -0.227 19288 24 1 1 . 1 1 14 14 TYR CB C 14 38.608 38.608 42.399 -3.791 19288 25 1 1 . 1 1 14 14 TYR H H 14 8.676 8.676 8.602 0.074 19288 26 1 1 . 1 1 15 15 ILE N N 15 124.585 124.585 122.853 1.732 19288 27 1 1 . 1 1 15 15 ILE HA H 15 4.714 4.714 4.507 0.207 19288 28 1 1 . 1 1 15 15 ILE C C 15 175.178 175.178 175.412 -0.234 19288 29 1 1 . 1 1 15 15 ILE CA C 15 59.647 59.647 61.895 -2.248 19288 30 1 1 . 1 1 15 15 ILE CB C 15 39.969 39.969 37.944 2.025 19288 31 1 1 . 1 1 15 15 ILE H H 15 8.479 8.479 8.972 -0.493 19288 32 1 1 . 1 1 16 16 CYS N N 16 129.411 129.411 113.489 15.922 19288 33 1 1 . 1 1 16 16 CYS HA H 16 4.334 4.334 4.901 -0.567 19288 34 1 1 . 1 1 16 16 CYS C C 16 174.675 174.675 174.848 -0.173 19288 35 1 1 . 1 1 16 16 CYS CA C 16 61.303 61.303 57.924 3.379 19288 36 1 1 . 1 1 16 16 CYS CB C 16 30.233 30.233 31.203 -0.970 19288 37 1 1 . 1 1 16 16 CYS H H 16 9.141 9.141 7.448 1.693 19288 38 1 1 . 1 1 17 17 GLU N N 17 133.830 133.830 121.401 12.429 19288 39 1 1 . 1 1 17 17 GLU HA H 17 4.200 4.200 3.892 0.308 19288 40 1 1 . 1 1 17 17 GLU C C 17 175.826 175.826 178.063 -2.237 19288 41 1 1 . 1 1 17 17 GLU CA C 17 58.616 58.616 57.738 0.878 19288 42 1 1 . 1 1 17 17 GLU CB C 17 28.133 28.133 29.138 -1.005 19288 43 1 1 . 1 1 17 17 GLU H H 17 10.744 10.744 8.627 2.117 19288 44 1 1 . 1 1 18 18 TYR N N 18 121.850 121.850 122.270 -0.420 19288 45 1 1 . 1 1 18 18 TYR HA H 18 4.316 4.316 4.278 0.038 19288 46 1 1 . 1 1 18 18 TYR C C 18 176.782 176.782 178.329 -1.547 19288 47 1 1 . 1 1 18 18 TYR CA C 18 60.371 60.371 61.922 -1.551 19288 48 1 1 . 1 1 18 18 TYR CB C 18 37.374 37.374 38.148 -0.774 19288 49 1 1 . 1 1 18 18 TYR H H 18 9.190 9.190 8.329 0.861 19288 50 1 1 . 1 1 19 19 CYS N N 19 116.138 116.138 118.988 -2.850 19288 51 1 1 . 1 1 19 19 CYS HA H 19 5.111 5.111 4.222 0.889 19288 52 1 1 . 1 1 19 19 CYS C C 19 176.019 176.019 177.048 -1.029 19288 53 1 1 . 1 1 19 19 CYS CA C 19 58.721 58.721 61.831 -3.111 19288 54 1 1 . 1 1 19 19 CYS CB C 19 32.573 32.573 27.924 4.649 19288 55 1 1 . 1 1 19 19 CYS H H 19 7.999 7.999 7.823 0.176 19288 56 1 1 . 1 1 20 20 ALA N N 20 122.058 122.058 122.189 -0.131 19288 57 1 1 . 1 1 20 20 ALA HA H 20 4.140 4.140 3.649 0.491 19288 58 1 1 . 1 1 20 20 ALA C C 20 177.014 177.014 178.336 -1.322 19288 59 1 1 . 1 1 20 20 ALA CA C 20 54.584 54.584 54.829 -0.245 19288 60 1 1 . 1 1 20 20 ALA CB C 20 17.127 17.127 18.817 -1.690 19288 61 1 1 . 1 1 20 20 ALA H H 20 8.067 8.067 7.604 0.463 19288 62 1 1 . 1 1 21 21 ARG N N 21 121.286 121.286 119.676 1.610 19288 63 1 1 . 1 1 21 21 ARG HA H 21 4.003 4.003 4.035 -0.032 19288 64 1 1 . 1 1 21 21 ARG C C 21 175.133 175.133 178.401 -3.268 19288 65 1 1 . 1 1 21 21 ARG CA C 21 58.236 58.236 59.182 -0.946 19288 66 1 1 . 1 1 21 21 ARG CB C 21 31.677 31.677 29.363 2.314 19288 67 1 1 . 1 1 21 21 ARG H H 21 7.947 7.947 7.785 0.162 19288 68 1 1 . 1 1 22 22 ALA N N 22 123.966 123.966 120.881 3.085 19288 69 1 1 . 1 1 22 22 ALA HA H 22 5.008 5.008 3.812 1.196 19288 70 1 1 . 1 1 22 22 ALA C C 22 175.750 175.750 179.345 -3.595 19288 71 1 1 . 1 1 22 22 ALA CA C 22 50.811 50.811 56.375 -5.564 19288 72 1 1 . 1 1 22 22 ALA CB C 22 21.928 21.928 18.748 3.180 19288 73 1 1 . 1 1 22 22 ALA H H 22 7.968 7.968 7.663 0.305 19288 74 1 1 . 1 1 23 23 PHE N N 23 118.728 118.728 119.697 -0.969 19288 75 1 1 . 1 1 23 23 PHE HA H 23 4.678 4.678 4.222 0.456 19288 76 1 1 . 1 1 23 23 PHE C C 23 173.852 173.852 178.363 -4.511 19288 77 1 1 . 1 1 23 23 PHE CA C 23 57.367 57.367 61.349 -3.982 19288 78 1 1 . 1 1 23 23 PHE CB C 23 43.458 43.458 39.116 4.342 19288 79 1 1 . 1 1 23 23 PHE H H 23 9.004 9.004 7.916 1.088 19288 80 1 1 . 1 1 24 24 LYS N N 24 119.176 119.176 118.356 0.820 19288 81 1 1 . 1 1 24 24 LYS HA H 24 4.709 4.709 4.299 0.410 19288 82 1 1 . 1 1 24 24 LYS C C 24 176.934 176.934 178.436 -1.502 19288 83 1 1 . 1 1 24 24 LYS CA C 24 56.482 56.482 58.535 -2.054 19288 84 1 1 . 1 1 24 24 LYS CB C 24 33.111 33.111 31.944 1.167 19288 85 1 1 . 1 1 24 24 LYS H H 24 9.211 9.211 8.198 1.013 19288 86 1 1 . 1 1 25 25 SER N N 25 110.950 110.950 116.503 -5.553 19288 87 1 1 . 1 1 25 25 SER HA H 25 4.566 4.566 4.312 0.254 19288 88 1 1 . 1 1 25 25 SER C C 25 175.671 175.671 175.366 0.305 19288 89 1 1 . 1 1 25 25 SER CA C 25 55.683 55.683 59.380 -3.697 19288 90 1 1 . 1 1 25 25 SER CB C 25 66.490 66.490 62.787 3.703 19288 91 1 1 . 1 1 25 25 SER H H 25 7.474 7.474 7.482 -0.008 19288 92 1 1 . 1 1 26 26 SER N N 26 119.411 119.411 113.230 6.181 19288 93 1 1 . 1 1 26 26 SER C C 26 176.269 176.269 175.473 0.796 19288 94 1 1 . 1 1 26 26 SER CA C 26 60.616 60.616 59.305 1.311 19288 95 1 1 . 1 1 26 26 SER CB C 26 61.758 61.758 61.118 0.640 19288 96 1 1 . 1 1 26 26 SER H H 26 8.487 8.487 7.440 1.047 19288 97 1 1 . 1 1 27 27 HIS HA H 27 4.258 4.258 4.432 -0.174 19288 98 1 1 . 1 1 27 27 HIS C C 27 173.658 173.658 176.213 -2.555 19288 99 1 1 . 1 1 27 27 HIS CA C 27 59.581 59.581 56.835 2.746 19288 100 1 1 . 1 1 27 27 HIS CB C 27 29.913 29.913 28.583 1.330 19288 101 1 1 . 1 1 28 28 ASN N N 28 117.126 117.126 115.326 1.800 19288 102 1 1 . 1 1 28 28 ASN HA H 28 4.216 4.216 4.543 -0.327 19288 103 1 1 . 1 1 28 28 ASN CA C 28 55.547 55.547 54.883 0.664 19288 104 1 1 . 1 1 28 28 ASN CB C 28 37.634 37.634 39.239 -1.605 19288 105 1 1 . 1 1 28 28 ASN H H 28 7.681 7.681 7.518 0.163 19288 106 1 1 . 1 1 29 29 LEU N N 29 121.121 121.121 122.319 -1.198 19288 107 1 1 . 1 1 29 29 LEU HA H 29 3.177 3.177 4.089 -0.912 19288 108 1 1 . 1 1 29 29 LEU C C 29 176.205 176.205 176.349 -0.144 19288 109 1 1 . 1 1 29 29 LEU CA C 29 57.893 57.893 54.268 3.625 19288 110 1 1 . 1 1 29 29 LEU H H 29 7.300 7.300 7.577 -0.277 19288 111 1 1 . 1 1 30 30 ALA N N 30 122.058 122.058 124.805 -2.747 19288 112 1 1 . 1 1 30 30 ALA HA H 30 3.917 3.917 4.268 -0.351 19288 113 1 1 . 1 1 30 30 ALA C C 30 178.363 178.363 176.575 1.788 19288 114 1 1 . 1 1 30 30 ALA CA C 30 55.487 55.487 51.816 3.671 19288 115 1 1 . 1 1 30 30 ALA CB C 30 17.947 17.947 17.519 0.428 19288 116 1 1 . 1 1 30 30 ALA H H 30 7.987 7.987 7.939 0.048 19288 117 1 1 . 1 1 31 31 VAL N N 31 116.442 116.442 118.840 -2.398 19288 118 1 1 . 1 1 31 31 VAL HA H 31 3.556 3.556 4.418 -0.862 19288 119 1 1 . 1 1 31 31 VAL C C 31 176.352 176.352 173.600 2.752 19288 120 1 1 . 1 1 31 31 VAL CA C 31 65.936 65.936 60.074 5.862 19288 121 1 1 . 1 1 31 31 VAL CB C 31 32.281 32.281 31.802 0.479 19288 122 1 1 . 1 1 31 31 VAL H H 31 7.636 7.636 7.544 0.092 19288 123 1 1 . 1 1 32 32 HIS HA H 32 4.125 4.125 4.508 -0.383 19288 124 1 1 . 1 1 32 32 HIS C C 32 180.696 180.696 174.076 6.620 19288 125 1 1 . 1 1 32 32 HIS CA C 32 59.377 59.377 55.630 3.747 19288 126 1 1 . 1 1 32 32 HIS CB C 32 28.332 28.332 30.068 -1.736 19288 127 1 1 . 1 1 33 33 ARG N N 33 115.795 115.795 119.707 -3.912 19288 128 1 1 . 1 1 33 33 ARG HA H 33 3.658 3.658 4.488 -0.830 19288 129 1 1 . 1 1 33 33 ARG C C 33 178.735 178.735 175.035 3.700 19288 130 1 1 . 1 1 33 33 ARG CA C 33 60.012 60.012 56.064 3.948 19288 131 1 1 . 1 1 33 33 ARG CB C 33 31.144 31.144 29.714 1.430 19288 132 1 1 . 1 1 33 33 ARG H H 33 8.633 8.633 8.323 0.310 19288 133 1 1 . 1 1 34 34 MET N N 34 115.672 115.672 120.662 -4.990 19288 134 1 1 . 1 1 34 34 MET HA H 34 4.211 4.211 5.179 -0.968 19288 135 1 1 . 1 1 34 34 MET C C 34 176.427 176.427 175.290 1.137 19288 136 1 1 . 1 1 34 34 MET CA C 34 57.866 57.866 53.919 3.947 19288 137 1 1 . 1 1 34 34 MET CB C 34 32.221 32.221 37.061 -4.840 19288 138 1 1 . 1 1 34 34 MET H H 34 7.057 7.057 8.446 -1.389 19288 139 1 1 . 1 1 35 35 ILE N N 35 116.381 116.381 124.231 -7.850 19288 140 1 1 . 1 1 35 35 ILE HA H 35 3.904 3.904 4.538 -0.634 19288 141 1 1 . 1 1 35 35 ILE C C 35 177.504 177.504 176.189 1.315 19288 142 1 1 . 1 1 35 35 ILE CA C 35 63.402 63.402 60.245 3.157 19288 143 1 1 . 1 1 35 35 ILE CB C 35 37.724 37.724 37.728 -0.004 19288 144 1 1 . 1 1 35 35 ILE H H 35 7.811 7.811 8.891 -1.080 19288 145 1 1 . 1 1 36 36 HIS N N 36 117.423 117.423 128.737 -11.314 19288 146 1 1 . 1 1 36 36 HIS HA H 36 4.481 4.481 4.837 -0.356 19288 147 1 1 . 1 1 36 36 HIS C C 36 178.413 178.413 174.093 4.320 19288 148 1 1 . 1 1 36 36 HIS CA C 36 55.260 55.260 56.513 -1.253 19288 149 1 1 . 1 1 36 36 HIS CB C 36 28.066 28.066 28.111 -0.045 19288 150 1 1 . 1 1 36 36 HIS H H 36 7.247 7.247 9.013 -1.766 19288 151 1 1 . 1 1 37 37 THR N N 37 110.804 110.804 114.742 -3.938 19288 152 1 1 . 1 1 37 37 THR HA H 37 4.160 4.160 4.409 -0.249 19288 153 1 1 . 1 1 37 37 THR C C 37 177.179 177.179 173.643 3.536 19288 154 1 1 . 1 1 37 37 THR CA C 37 62.791 62.791 62.685 0.105 19288 155 1 1 . 1 1 37 37 THR CB C 37 69.712 69.712 72.106 -2.394 19288 156 1 1 . 1 1 37 37 THR H H 37 7.553 7.553 7.778 -0.225 19288 157 1 1 . 1 1 38 38 GLY N N 38 110.842 110.842 109.360 1.482 19288 158 1 1 . 1 1 38 38 GLY C C 38 175.821 175.821 174.555 1.266 19288 159 1 1 . 1 1 38 38 GLY CA C 38 45.403 45.403 42.739 2.664 19288 160 1 1 . 1 1 38 38 GLY H H 38 8.195 8.195 7.523 0.672 19288 161 1 1 . 1 1 39 39 GLU N N 39 120.441 120.441 124.297 -3.856 19288 162 1 1 . 1 1 39 39 GLU HA H 39 4.238 4.238 4.255 -0.017 19288 163 1 1 . 1 1 39 39 GLU C C 39 175.390 175.390 175.658 -0.268 19288 164 1 1 . 1 1 39 39 GLU CA C 39 56.572 56.572 58.225 -1.653 19288 165 1 1 . 1 1 39 39 GLU H H 39 7.953 7.953 8.834 -0.881 19288 166 1 1 . 1 1 40 40 LYS N N 40 123.624 123.624 126.338 -2.714 19288 167 1 1 . 1 1 40 40 LYS HA H 40 4.534 4.534 4.594 -0.060 19288 168 1 1 . 1 1 40 40 LYS C C 40 174.124 174.124 174.377 -0.253 19288 169 1 1 . 1 1 40 40 LYS CA C 40 54.236 54.236 54.954 -0.718 19288 170 1 1 . 1 1 40 40 LYS CB C 40 32.769 32.769 35.380 -2.611 19288 171 1 1 . 1 1 40 40 LYS H H 40 8.321 8.321 8.009 0.312 19288 172 1 1 . 1 1 41 41 PRO HA H 41 4.404 4.404 4.865 -0.461 19288 173 1 1 . 1 1 41 41 PRO C C 41 176.103 176.103 175.315 0.788 19288 174 1 1 . 1 1 41 41 PRO CA C 41 63.174 63.174 62.125 1.049 19288 175 1 1 . 1 1 41 41 PRO CB C 41 32.306 32.306 32.733 -0.427 19288 176 1 1 . 1 1 42 42 LEU N N 42 122.177 122.177 128.235 -6.058 19288 177 1 1 . 1 1 42 42 LEU HA H 42 4.381 4.381 4.317 0.064 19288 178 1 1 . 1 1 42 42 LEU CA C 42 54.626 54.626 53.386 1.240 19288 179 1 1 . 1 1 42 42 LEU CB C 42 42.719 42.719 44.229 -1.510 19288 180 1 1 . 1 1 42 42 LEU H H 42 8.293 8.293 8.321 -0.028 19288 181 1 1 . 1 1 43 43 GLN N N 43 119.188 119.188 122.708 -3.520 19288 182 1 1 . 1 1 43 43 GLN HA H 43 5.181 5.181 4.186 0.995 19288 183 1 1 . 1 1 43 43 GLN C C 43 176.325 176.325 175.462 0.863 19288 184 1 1 . 1 1 43 43 GLN CA C 43 53.898 53.898 55.899 -2.001 19288 185 1 1 . 1 1 43 43 GLN CB C 43 32.969 32.969 28.043 4.926 19288 186 1 1 . 1 1 43 43 GLN H H 43 8.180 8.180 8.586 -0.406 19288 187 1 1 . 1 1 44 44 CYS N N 44 127.346 127.346 119.249 8.097 19288 188 1 1 . 1 1 44 44 CYS HA H 44 4.453 4.453 4.697 -0.244 19288 189 1 1 . 1 1 44 44 CYS C C 44 175.677 175.677 175.003 0.674 19288 190 1 1 . 1 1 44 44 CYS CA C 44 59.437 59.437 58.058 1.379 19288 191 1 1 . 1 1 44 44 CYS CB C 44 30.721 30.721 28.718 2.003 19288 192 1 1 . 1 1 44 44 CYS H H 44 9.299 9.299 7.332 1.967 19288 193 1 1 . 1 1 45 45 GLU N N 45 131.846 131.846 125.291 6.555 19288 194 1 1 . 1 1 45 45 GLU HA H 45 4.178 4.178 4.043 0.135 19288 195 1 1 . 1 1 45 45 GLU C C 45 174.655 174.655 177.711 -3.056 19288 196 1 1 . 1 1 45 45 GLU CA C 45 58.342 58.342 59.789 -1.447 19288 197 1 1 . 1 1 45 45 GLU CB C 45 29.819 29.819 29.253 0.566 19288 198 1 1 . 1 1 45 45 GLU H H 45 9.602 9.602 9.015 0.587 19288 199 1 1 . 1 1 46 46 ILE N N 46 121.898 121.898 119.493 2.405 19288 200 1 1 . 1 1 46 46 ILE HA H 46 3.840 3.840 4.120 -0.280 19288 201 1 1 . 1 1 46 46 ILE C C 46 177.404 177.404 178.255 -0.851 19288 202 1 1 . 1 1 46 46 ILE CA C 46 63.494 63.494 63.846 -0.352 19288 203 1 1 . 1 1 46 46 ILE CB C 46 38.461 38.461 36.932 1.528 19288 204 1 1 . 1 1 46 46 ILE H H 46 8.973 8.973 8.625 0.348 19288 205 1 1 . 1 1 47 47 CYS N N 47 117.274 117.274 118.866 -1.592 19288 206 1 1 . 1 1 47 47 CYS HA H 47 5.231 5.231 4.403 0.828 19288 207 1 1 . 1 1 47 47 CYS C C 47 176.087 176.087 177.030 -0.943 19288 208 1 1 . 1 1 47 47 CYS CA C 47 58.455 58.455 61.788 -3.333 19288 209 1 1 . 1 1 47 47 CYS CB C 47 33.590 33.590 27.956 5.634 19288 210 1 1 . 1 1 47 47 CYS H H 47 8.432 8.432 7.486 0.946 19288 211 1 1 . 1 1 48 48 GLY N N 48 112.655 112.655 110.790 1.865 19288 212 1 1 . 1 1 48 48 GLY C C 48 177.177 177.177 176.885 0.292 19288 213 1 1 . 1 1 48 48 GLY CA C 48 46.253 46.253 48.566 -2.313 19288 214 1 1 . 1 1 48 48 GLY H H 48 8.016 8.016 7.650 0.366 19288 215 1 1 . 1 1 49 49 PHE N N 49 125.000 125.000 119.695 5.305 19288 216 1 1 . 1 1 49 49 PHE HA H 49 4.272 4.272 4.193 0.079 19288 217 1 1 . 1 1 49 49 PHE C C 49 176.313 176.313 178.387 -2.074 19288 218 1 1 . 1 1 49 49 PHE CA C 49 59.750 59.750 61.291 -1.541 19288 219 1 1 . 1 1 49 49 PHE CB C 49 41.278 41.278 38.479 2.799 19288 220 1 1 . 1 1 49 49 PHE H H 49 8.333 8.333 8.819 -0.486 19288 221 1 1 . 1 1 50 50 THR N N 50 118.297 118.297 113.357 4.940 19288 222 1 1 . 1 1 50 50 THR HA H 50 5.150 5.150 4.215 0.935 19288 223 1 1 . 1 1 50 50 THR C C 50 173.480 173.480 176.674 -3.194 19288 224 1 1 . 1 1 50 50 THR CA C 50 59.186 59.186 65.132 -5.947 19288 225 1 1 . 1 1 50 50 THR CB C 50 71.954 71.954 68.676 3.278 19288 226 1 1 . 1 1 50 50 THR H H 50 7.336 7.336 7.697 -0.361 19288 227 1 1 . 1 1 51 51 CYS N N 51 115.101 115.101 120.155 -5.054 19288 228 1 1 . 1 1 51 51 CYS HA H 51 4.540 4.540 3.870 0.670 19288 229 1 1 . 1 1 51 51 CYS C C 51 173.381 173.381 177.604 -4.223 19288 230 1 1 . 1 1 51 51 CYS CA C 51 56.305 56.305 62.828 -6.523 19288 231 1 1 . 1 1 51 51 CYS CB C 51 30.578 30.578 27.997 2.581 19288 232 1 1 . 1 1 51 51 CYS H H 51 8.318 8.318 8.235 0.083 19288 233 1 1 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.289 0.277 19288 234 1 1 . 1 1 52 52 ARG C C 52 172.494 172.494 177.266 -4.772 19288 235 1 1 . 1 1 52 52 ARG CA C 52 56.923 56.923 58.852 -1.929 19288 236 1 1 . 1 1 52 52 ARG CB C 52 31.891 31.891 29.594 2.297 19288 237 1 1 . 1 1 53 53 GLN N N 53 115.534 115.534 118.616 -3.082 19288 238 1 1 . 1 1 53 53 GLN HA H 53 4.719 4.719 3.926 0.793 19288 239 1 1 . 1 1 53 53 GLN CA C 53 54.637 54.637 58.598 -3.961 19288 240 1 1 . 1 1 53 53 GLN CB C 53 30.904 30.904 27.953 2.951 19288 241 1 1 . 1 1 53 53 GLN H H 53 7.649 7.649 7.927 -0.278 19288 242 1 1 . 1 1 54 54 LYS N N 54 127.065 127.065 117.089 9.976 19288 243 1 1 . 1 1 54 54 LYS HA H 54 3.771 3.771 3.957 -0.185 19288 244 1 1 . 1 1 54 54 LYS C C 54 176.035 176.035 177.925 -1.890 19288 245 1 1 . 1 1 54 54 LYS CA C 54 59.833 59.833 57.931 1.902 19288 246 1 1 . 1 1 54 54 LYS CB C 54 32.087 32.087 31.656 0.431 19288 247 1 1 . 1 1 54 54 LYS H H 54 9.132 9.132 7.271 1.861 19288 248 1 1 . 1 1 55 55 ALA N N 55 120.230 120.230 119.869 0.361 19288 249 1 1 . 1 1 55 55 ALA HA H 55 4.135 4.135 4.114 0.021 19288 250 1 1 . 1 1 55 55 ALA C C 55 176.728 176.728 178.756 -2.028 19288 251 1 1 . 1 1 55 55 ALA CA C 55 55.456 55.456 53.713 1.743 19288 252 1 1 . 1 1 55 55 ALA CB C 55 18.224 18.224 19.498 -1.274 19288 253 1 1 . 1 1 55 55 ALA H H 55 9.016 9.016 7.184 1.832 19288 254 1 1 . 1 1 56 56 SER N N 56 112.225 112.225 115.245 -3.020 19288 255 1 1 . 1 1 56 56 SER HA H 56 4.509 4.509 4.343 0.166 19288 256 1 1 . 1 1 56 56 SER C C 56 178.309 178.309 175.704 2.605 19288 257 1 1 . 1 1 56 56 SER CA C 56 61.172 61.172 60.556 0.616 19288 258 1 1 . 1 1 56 56 SER CB C 56 62.925 62.925 63.260 -0.335 19288 259 1 1 . 1 1 56 56 SER H H 56 7.097 7.097 8.302 -1.205 19288 260 1 1 . 1 1 57 57 LEU N N 57 126.317 126.317 118.342 7.975 19288 261 1 1 . 1 1 57 57 LEU HA H 57 4.327 4.327 4.077 0.250 19288 262 1 1 . 1 1 57 57 LEU C C 57 180.642 180.642 177.117 3.525 19288 263 1 1 . 1 1 57 57 LEU CA C 57 58.038 58.038 57.017 1.021 19288 264 1 1 . 1 1 57 57 LEU CB C 57 41.443 41.443 41.929 -0.486 19288 265 1 1 . 1 1 57 57 LEU H H 57 7.667 7.667 7.444 0.223 19288 266 1 1 . 1 1 58 58 ASN N N 58 118.325 118.325 116.337 1.988 19288 267 1 1 . 1 1 58 58 ASN HA H 58 4.364 4.364 5.088 -0.724 19288 268 1 1 . 1 1 58 58 ASN C C 58 176.770 176.770 175.681 1.089 19288 269 1 1 . 1 1 58 58 ASN CA C 58 56.457 56.457 51.721 4.736 19288 270 1 1 . 1 1 58 58 ASN CB C 58 37.852 37.852 38.614 -0.762 19288 271 1 1 . 1 1 58 58 ASN H H 58 8.533 8.533 7.705 0.828 19288 272 1 1 . 1 1 59 59 TRP N N 59 119.802 119.802 124.982 -5.180 19288 273 1 1 . 1 1 59 59 TRP HA H 59 4.349 4.349 4.720 -0.371 19288 274 1 1 . 1 1 59 59 TRP C C 59 178.160 178.160 177.224 0.936 19288 275 1 1 . 1 1 59 59 TRP CA C 59 60.432 60.432 59.635 0.797 19288 276 1 1 . 1 1 59 59 TRP CB C 59 29.304 29.304 29.243 0.061 19288 277 1 1 . 1 1 59 59 TRP H H 59 7.914 7.914 8.626 -0.712 19288 278 1 1 . 1 1 60 60 HIS N N 60 119.175 119.175 116.888 2.287 19288 279 1 1 . 1 1 60 60 HIS HA H 60 3.675 3.675 4.396 -0.721 19288 280 1 1 . 1 1 60 60 HIS C C 60 174.721 174.721 175.736 -1.015 19288 281 1 1 . 1 1 60 60 HIS CA C 60 60.038 60.038 56.732 3.306 19288 282 1 1 . 1 1 60 60 HIS CB C 60 28.143 28.143 28.141 0.002 19288 283 1 1 . 1 1 60 60 HIS H H 60 8.131 8.131 8.326 -0.195 19288 284 1 1 . 1 1 61 61 MET N N 61 114.602 114.602 115.452 -0.850 19288 285 1 1 . 1 1 61 61 MET HA H 61 4.127 4.127 4.367 -0.240 19288 286 1 1 . 1 1 61 61 MET C C 61 178.337 178.337 176.409 1.928 19288 287 1 1 . 1 1 61 61 MET CA C 61 57.177 57.177 54.263 2.914 19288 288 1 1 . 1 1 61 61 MET CB C 61 30.085 30.085 31.695 -1.609 19288 289 1 1 . 1 1 61 61 MET H H 61 8.448 8.448 7.658 0.790 19288 290 1 1 . 1 1 62 62 LYS N N 62 118.858 118.858 120.603 -1.745 19288 291 1 1 . 1 1 62 62 LYS HA H 62 3.998 3.998 3.426 0.572 19288 292 1 1 . 1 1 62 62 LYS C C 62 176.716 176.716 176.253 0.463 19288 293 1 1 . 1 1 62 62 LYS CA C 62 58.512 58.512 57.471 1.040 19288 294 1 1 . 1 1 62 62 LYS CB C 62 31.694 31.694 32.807 -1.113 19288 295 1 1 . 1 1 62 62 LYS H H 62 7.285 7.285 7.236 0.049 19288 296 1 1 . 1 1 63 63 LYS N N 63 117.683 117.683 117.379 0.304 19288 297 1 1 . 1 1 63 63 LYS HA H 63 3.793 3.793 4.393 -0.600 19288 298 1 1 . 1 1 63 63 LYS C C 63 179.150 179.150 175.089 4.061 19288 299 1 1 . 1 1 63 63 LYS CA C 63 57.827 57.827 55.583 2.244 19288 300 1 1 . 1 1 63 63 LYS CB C 63 31.272 31.272 35.557 -4.285 19288 301 1 1 . 1 1 63 63 LYS H H 63 7.516 7.516 8.081 -0.565 19288 302 1 1 . 1 1 64 64 HIS N N 64 115.200 115.200 120.655 -5.455 19288 303 1 1 . 1 1 64 64 HIS HA H 64 4.708 4.708 4.802 -0.094 19288 304 1 1 . 1 1 64 64 HIS C C 64 178.727 178.727 173.172 5.555 19288 305 1 1 . 1 1 64 64 HIS CA C 64 55.628 55.628 55.267 0.361 19288 306 1 1 . 1 1 64 64 HIS CB C 64 28.782 28.782 32.553 -3.771 19288 307 1 1 . 1 1 64 64 HIS H H 64 7.155 7.155 8.485 -1.330 19288 308 1 1 . 1 1 65 65 ASP N N 65 120.441 120.441 124.090 -3.649 19288 309 1 1 . 1 1 65 65 ASP HA H 65 4.503 4.503 4.977 -0.474 19288 310 1 1 . 1 1 65 65 ASP C C 65 177.648 177.648 176.757 0.891 19288 311 1 1 . 1 1 65 65 ASP CA C 65 55.296 55.296 52.245 3.051 19288 312 1 1 . 1 1 65 65 ASP CB C 65 41.122 41.122 42.334 -1.212 19288 313 1 1 . 1 1 65 65 ASP H H 65 7.653 7.653 8.717 -1.064 19288 314 1 1 . 1 1 66 66 ALA N N 66 123.184 123.184 129.720 -6.536 19288 315 1 1 . 1 1 66 66 ALA HA H 66 4.141 4.141 4.119 0.022 19288 316 1 1 . 1 1 66 66 ALA C C 66 175.172 175.172 178.112 -2.940 19288 317 1 1 . 1 1 66 66 ALA CA C 66 53.693 53.693 54.428 -0.735 19288 318 1 1 . 1 1 66 66 ALA CB C 66 19.049 19.049 18.536 0.513 19288 319 1 1 . 1 1 66 66 ALA H H 66 8.088 8.088 8.684 -0.596 19288 320 1 1 . 1 1 67 67 ASP N N 67 117.608 117.608 119.607 -1.999 19288 321 1 1 . 1 1 67 67 ASP HA H 67 4.175 4.175 4.594 -0.419 19288 322 1 1 . 1 1 67 67 ASP C C 67 176.687 176.687 176.296 0.391 19288 323 1 1 . 1 1 67 67 ASP CA C 67 54.842 54.842 55.170 -0.328 19288 324 1 1 . 1 1 67 67 ASP CB C 67 40.957 40.957 41.556 -0.599 19288 325 1 1 . 1 1 67 67 ASP H H 67 7.999 7.999 8.374 -0.375 19288 326 1 1 . 1 1 68 68 SER N N 68 114.794 114.794 113.367 1.427 19288 327 1 1 . 1 1 68 68 SER HA H 68 4.145 4.145 4.828 -0.683 19288 328 1 1 . 1 1 68 68 SER C C 68 178.056 178.056 174.456 3.600 19288 329 1 1 . 1 1 68 68 SER CA C 68 59.397 59.397 56.103 3.294 19288 330 1 1 . 1 1 68 68 SER CB C 68 63.682 63.682 65.863 -2.181 19288 331 1 1 . 1 1 68 68 SER H H 68 7.797 7.797 7.940 -0.143 19288 332 1 1 . 1 1 69 69 PHE N N 69 120.277 120.277 122.816 -2.539 19288 333 1 1 . 1 1 69 69 PHE HA H 69 4.474 4.474 4.455 0.019 19288 334 1 1 . 1 1 69 69 PHE C C 69 176.959 176.959 175.470 1.489 19288 335 1 1 . 1 1 69 69 PHE CA C 69 58.048 58.048 58.033 0.015 19288 336 1 1 . 1 1 69 69 PHE H H 69 7.850 7.850 8.701 -0.851 19288 337 1 1 . 1 1 70 70 TYR N N 70 121.023 121.023 124.081 -3.058 19288 338 1 1 . 1 1 70 70 TYR HA H 70 4.494 4.494 3.854 0.640 19288 339 1 1 . 1 1 70 70 TYR C C 70 174.330 174.330 175.796 -1.466 19288 340 1 1 . 1 1 70 70 TYR CA C 70 56.491 56.491 58.886 -2.395 19288 341 1 1 . 1 1 70 70 TYR CB C 70 37.727 37.727 37.841 -0.114 19288 342 1 1 . 1 1 70 70 TYR H H 70 7.818 7.818 7.675 0.143 19288 343 1 1 . 1 1 71 71 GLN N N 71 119.046 119.046 117.728 1.318 19288 344 1 1 . 1 1 71 71 GLN HA H 71 4.085 4.085 4.072 0.013 19288 345 1 1 . 1 1 71 71 GLN C C 71 175.830 175.830 174.244 1.586 19288 346 1 1 . 1 1 71 71 GLN CA C 71 56.485 56.485 56.333 0.152 19288 347 1 1 . 1 1 71 71 GLN CB C 71 30.291 30.291 26.210 4.081 19288 348 1 1 . 1 1 71 71 GLN H H 71 8.352 8.352 7.563 0.789 19288 349 1 1 . 1 1 72 72 PHE N N 72 117.779 117.779 120.042 -2.263 19288 350 1 1 . 1 1 72 72 PHE HA H 72 4.850 4.850 4.610 0.240 19288 351 1 1 . 1 1 72 72 PHE C C 72 176.323 176.323 176.312 0.011 19288 352 1 1 . 1 1 72 72 PHE CA C 72 57.157 57.157 55.664 1.493 19288 353 1 1 . 1 1 72 72 PHE CB C 72 41.106 41.106 42.105 -0.999 19288 354 1 1 . 1 1 72 72 PHE H H 72 7.901 7.901 7.952 -0.051 19288 355 1 1 . 1 1 73 73 SER N N 73 114.707 114.707 117.913 -3.206 19288 356 1 1 . 1 1 73 73 SER HA H 73 5.469 5.469 4.137 1.332 19288 357 1 1 . 1 1 73 73 SER C C 73 175.151 175.151 174.147 1.004 19288 358 1 1 . 1 1 73 73 SER CA C 73 57.026 57.026 59.626 -2.600 19288 359 1 1 . 1 1 73 73 SER CB C 73 65.963 65.963 63.249 2.713 19288 360 1 1 . 1 1 73 73 SER H H 73 8.744 8.744 8.728 0.016 19288 361 1 1 . 1 1 74 74 CYS N N 74 124.143 124.143 117.216 6.927 19288 362 1 1 . 1 1 74 74 CYS HA H 74 4.391 4.391 4.715 -0.324 19288 363 1 1 . 1 1 74 74 CYS C C 74 174.848 174.848 175.436 -0.588 19288 364 1 1 . 1 1 74 74 CYS CA C 74 59.743 59.743 57.657 2.086 19288 365 1 1 . 1 1 74 74 CYS CB C 74 30.581 30.581 29.392 1.188 19288 366 1 1 . 1 1 74 74 CYS H H 74 9.154 9.154 7.773 1.381 19288 367 1 1 . 1 1 75 75 ASN HA H 75 4.501 4.501 4.081 0.420 19288 368 1 1 . 1 1 75 75 ASN C C 75 173.664 173.664 177.128 -3.464 19288 369 1 1 . 1 1 75 75 ASN CA C 75 55.316 55.316 56.311 -0.995 19288 370 1 1 . 1 1 75 75 ASN CB C 75 36.774 36.774 37.977 -1.203 19288 371 1 1 . 1 1 76 76 ILE N N 76 123.143 123.143 119.414 3.729 19288 372 1 1 . 1 1 76 76 ILE HA H 76 3.908 3.908 3.874 0.034 19288 373 1 1 . 1 1 76 76 ILE CA C 76 63.223 63.223 64.854 -1.631 19288 374 1 1 . 1 1 76 76 ILE CB C 76 38.269 38.269 37.724 0.545 19288 375 1 1 . 1 1 76 76 ILE H H 76 8.921 8.921 8.321 0.600 19288 376 1 1 . 1 1 77 77 CYS N N 77 116.298 116.298 118.063 -1.765 19288 377 1 1 . 1 1 77 77 CYS HA H 77 5.159 5.159 4.018 1.141 19288 378 1 1 . 1 1 77 77 CYS C C 77 174.401 174.401 176.997 -2.596 19288 379 1 1 . 1 1 77 77 CYS CA C 77 58.394 58.394 62.122 -3.728 19288 380 1 1 . 1 1 77 77 CYS CB C 77 32.743 32.743 26.927 5.816 19288 381 1 1 . 1 1 77 77 CYS H H 77 8.243 8.243 7.722 0.521 19288 382 1 1 . 1 1 78 78 GLY N N 78 113.607 113.607 111.569 2.038 19288 383 1 1 . 1 1 78 78 GLY C C 78 176.862 176.862 176.556 0.306 19288 384 1 1 . 1 1 78 78 GLY CA C 78 46.321 46.321 49.259 -2.938 19288 385 1 1 . 1 1 78 78 GLY H H 78 8.060 8.060 7.208 0.852 19288 386 1 1 . 1 1 79 79 LYS N N 79 123.134 123.134 120.383 2.751 19288 387 1 1 . 1 1 79 79 LYS HA H 79 3.950 3.950 3.761 0.189 19288 388 1 1 . 1 1 79 79 LYS C C 79 176.484 176.484 177.921 -1.437 19288 389 1 1 . 1 1 79 79 LYS CA C 79 58.342 58.342 60.700 -2.358 19288 390 1 1 . 1 1 79 79 LYS CB C 79 33.770 33.770 32.053 1.717 19288 391 1 1 . 1 1 79 79 LYS H H 79 7.977 7.977 8.254 -0.277 19288 392 1 1 . 1 1 80 80 LYS N N 80 121.440 121.440 119.328 2.112 19288 393 1 1 . 1 1 80 80 LYS HA H 80 4.884 4.884 3.971 0.913 19288 394 1 1 . 1 1 80 80 LYS C C 80 173.961 173.961 178.217 -4.256 19288 395 1 1 . 1 1 80 80 LYS CA C 80 55.524 55.524 59.458 -3.933 19288 396 1 1 . 1 1 80 80 LYS CB C 80 35.024 35.024 31.361 3.663 19288 397 1 1 . 1 1 80 80 LYS H H 80 7.918 7.918 7.687 0.231 19288 398 1 1 . 1 1 81 81 PHE N N 81 116.724 116.724 120.172 -3.448 19288 399 1 1 . 1 1 81 81 PHE HA H 81 4.598 4.598 4.200 0.398 19288 400 1 1 . 1 1 81 81 PHE C C 81 174.541 174.541 177.888 -3.347 19288 401 1 1 . 1 1 81 81 PHE CA C 81 57.359 57.359 61.971 -4.612 19288 402 1 1 . 1 1 81 81 PHE CB C 81 44.738 44.738 39.355 5.383 19288 403 1 1 . 1 1 81 81 PHE H H 81 8.725 8.725 8.148 0.577 19288 404 1 1 . 1 1 82 82 GLU N N 82 120.474 120.474 119.655 0.819 19288 405 1 1 . 1 1 82 82 GLU HA H 82 4.155 4.155 4.248 -0.093 19288 406 1 1 . 1 1 82 82 GLU C C 82 175.832 175.832 178.707 -2.875 19288 407 1 1 . 1 1 82 82 GLU CA C 82 57.900 57.900 59.647 -1.747 19288 408 1 1 . 1 1 82 82 GLU CB C 82 30.829 30.829 29.932 0.897 19288 409 1 1 . 1 1 82 82 GLU H H 82 8.775 8.775 7.812 0.963 19288 410 1 1 . 1 1 83 83 LYS N N 83 114.607 114.607 118.566 -3.959 19288 411 1 1 . 1 1 83 83 LYS HA H 83 4.607 4.607 4.059 0.548 19288 412 1 1 . 1 1 83 83 LYS C C 83 174.585 174.585 178.168 -3.583 19288 413 1 1 . 1 1 83 83 LYS CA C 83 54.369 54.369 59.265 -4.896 19288 414 1 1 . 1 1 83 83 LYS CB C 83 35.540 35.540 31.913 3.627 19288 415 1 1 . 1 1 83 83 LYS H H 83 7.547 7.547 8.142 -0.595 19288 416 1 1 . 1 1 84 84 LYS N N 84 124.921 124.921 117.458 7.463 19288 417 1 1 . 1 1 84 84 LYS HA H 84 3.073 3.073 4.138 -1.065 19288 418 1 1 . 1 1 84 84 LYS C C 84 176.545 176.545 178.249 -1.704 19288 419 1 1 . 1 1 84 84 LYS CA C 84 59.680 59.680 58.247 1.433 19288 420 1 1 . 1 1 84 84 LYS CB C 84 31.920 31.920 32.805 -0.885 19288 421 1 1 . 1 1 84 84 LYS H H 84 8.162 8.162 7.838 0.324 19288 422 1 1 . 1 1 85 85 ASP N N 85 116.468 116.468 117.812 -1.344 19288 423 1 1 . 1 1 85 85 ASP HA H 85 4.192 4.192 4.450 -0.258 19288 424 1 1 . 1 1 85 85 ASP C C 85 176.385 176.385 176.417 -0.032 19288 425 1 1 . 1 1 85 85 ASP CA C 85 56.789 56.789 55.792 0.997 19288 426 1 1 . 1 1 85 85 ASP CB C 85 39.780 39.780 41.515 -1.735 19288 427 1 1 . 1 1 85 85 ASP H H 85 8.682 8.682 7.654 1.028 19288 428 1 1 . 1 1 86 86 SER N N 86 114.601 114.601 117.471 -2.870 19288 429 1 1 . 1 1 86 86 SER HA H 86 4.183 4.183 4.775 -0.592 19288 430 1 1 . 1 1 86 86 SER C C 86 179.169 179.169 172.484 6.685 19288 431 1 1 . 1 1 86 86 SER CA C 86 60.939 60.939 54.793 6.146 19288 432 1 1 . 1 1 86 86 SER CB C 86 62.823 62.823 62.668 0.155 19288 433 1 1 . 1 1 86 86 SER H H 86 7.200 7.200 7.727 -0.527 19288 434 1 1 . 1 1 87 87 VAL HA H 87 2.698 2.698 4.045 -1.347 19288 435 1 1 . 1 1 87 87 VAL C C 87 178.806 178.806 174.922 3.884 19288 436 1 1 . 1 1 87 87 VAL CA C 87 66.028 66.028 62.807 3.221 19288 437 1 1 . 1 1 87 87 VAL CB C 87 31.461 31.461 30.952 0.509 19288 438 1 1 . 1 1 88 88 VAL N N 88 120.424 120.424 123.837 -3.413 19288 439 1 1 . 1 1 88 88 VAL HA H 88 3.485 3.485 4.407 -0.922 19288 440 1 1 . 1 1 88 88 VAL C C 88 176.208 176.208 174.704 1.504 19288 441 1 1 . 1 1 88 88 VAL CA C 88 66.735 66.735 61.962 4.773 19288 442 1 1 . 1 1 88 88 VAL CB C 88 31.948 31.948 32.759 -0.811 19288 443 1 1 . 1 1 88 88 VAL H H 88 7.190 7.190 8.052 -0.862 19288 444 1 2 . 1 1 10 10 HIS HA H 10 4.620 4.620 4.968 -0.348 19288 445 1 2 . 1 1 10 10 HIS CA C 10 56.302 56.302 54.778 1.524 19288 446 1 2 . 1 1 10 10 HIS CB C 10 30.312 30.312 31.643 -1.331 19288 447 1 2 . 1 1 11 11 MET N N 11 121.464 121.464 123.757 -2.293 19288 448 1 2 . 1 1 11 11 MET HA H 11 4.387 4.387 4.537 -0.150 19288 449 1 2 . 1 1 11 11 MET CA C 11 55.835 55.835 55.785 0.050 19288 450 1 2 . 1 1 11 11 MET CB C 11 32.794 32.794 33.429 -0.635 19288 451 1 2 . 1 1 11 11 MET H H 11 8.178 8.178 8.139 0.039 19288 452 1 2 . 1 1 12 12 ARG N N 12 121.614 121.614 119.837 1.777 19288 453 1 2 . 1 1 12 12 ARG HA H 12 4.244 4.244 4.624 -0.380 19288 454 1 2 . 1 1 12 12 ARG CA C 12 55.802 55.802 56.121 -0.319 19288 455 1 2 . 1 1 12 12 ARG CB C 12 31.110 31.110 31.251 -0.141 19288 456 1 2 . 1 1 12 12 ARG H H 12 8.209 8.209 8.681 -0.472 19288 457 1 2 . 1 1 13 13 ASP N N 13 119.634 119.634 118.682 0.952 19288 458 1 2 . 1 1 13 13 ASP HA H 13 4.667 4.667 4.740 -0.073 19288 459 1 2 . 1 1 13 13 ASP C C 13 175.723 175.723 173.918 1.805 19288 460 1 2 . 1 1 13 13 ASP CA C 13 54.112 54.112 53.767 0.345 19288 461 1 2 . 1 1 13 13 ASP CB C 13 42.459 42.459 42.289 0.170 19288 462 1 2 . 1 1 13 13 ASP H H 13 7.858 7.858 7.465 0.393 19288 463 1 2 . 1 1 14 14 TYR N N 14 120.932 120.932 120.282 0.650 19288 464 1 2 . 1 1 14 14 TYR HA H 14 4.534 4.534 4.767 -0.233 19288 465 1 2 . 1 1 14 14 TYR C C 14 174.767 174.767 176.165 -1.398 19288 466 1 2 . 1 1 14 14 TYR CA C 14 57.521 57.521 57.105 0.416 19288 467 1 2 . 1 1 14 14 TYR CB C 14 38.608 38.608 42.091 -3.483 19288 468 1 2 . 1 1 14 14 TYR H H 14 8.676 8.676 8.575 0.101 19288 469 1 2 . 1 1 15 15 ILE N N 15 124.585 124.585 123.185 1.400 19288 470 1 2 . 1 1 15 15 ILE HA H 15 4.714 4.714 4.193 0.521 19288 471 1 2 . 1 1 15 15 ILE C C 15 175.178 175.178 175.061 0.117 19288 472 1 2 . 1 1 15 15 ILE CA C 15 59.647 59.647 62.314 -2.667 19288 473 1 2 . 1 1 15 15 ILE CB C 15 39.969 39.969 38.152 1.817 19288 474 1 2 . 1 1 15 15 ILE H H 15 8.479 8.479 8.650 -0.171 19288 475 1 2 . 1 1 16 16 CYS N N 16 129.411 129.411 115.397 14.014 19288 476 1 2 . 1 1 16 16 CYS HA H 16 4.334 4.334 4.674 -0.340 19288 477 1 2 . 1 1 16 16 CYS C C 16 174.675 174.675 175.342 -0.667 19288 478 1 2 . 1 1 16 16 CYS CA C 16 61.303 61.303 56.978 4.325 19288 479 1 2 . 1 1 16 16 CYS CB C 16 30.233 30.233 29.594 0.639 19288 480 1 2 . 1 1 16 16 CYS H H 16 9.141 9.141 7.642 1.499 19288 481 1 2 . 1 1 17 17 GLU N N 17 133.830 133.830 127.658 6.172 19288 482 1 2 . 1 1 17 17 GLU HA H 17 4.200 4.200 4.193 0.007 19288 483 1 2 . 1 1 17 17 GLU C C 17 175.826 175.826 177.762 -1.936 19288 484 1 2 . 1 1 17 17 GLU CA C 17 58.616 58.616 59.092 -0.476 19288 485 1 2 . 1 1 17 17 GLU CB C 17 28.133 28.133 29.698 -1.565 19288 486 1 2 . 1 1 17 17 GLU H H 17 10.744 10.744 9.135 1.609 19288 487 1 2 . 1 1 18 18 TYR N N 18 121.850 121.850 121.749 0.101 19288 488 1 2 . 1 1 18 18 TYR HA H 18 4.316 4.316 4.237 0.079 19288 489 1 2 . 1 1 18 18 TYR C C 18 176.782 176.782 177.726 -0.944 19288 490 1 2 . 1 1 18 18 TYR CA C 18 60.371 60.371 61.869 -1.498 19288 491 1 2 . 1 1 18 18 TYR CB C 18 37.374 37.374 38.407 -1.033 19288 492 1 2 . 1 1 18 18 TYR H H 18 9.190 9.190 7.836 1.354 19288 493 1 2 . 1 1 19 19 CYS N N 19 116.138 116.138 118.095 -1.957 19288 494 1 2 . 1 1 19 19 CYS HA H 19 5.111 5.111 4.274 0.837 19288 495 1 2 . 1 1 19 19 CYS C C 19 176.019 176.019 176.895 -0.876 19288 496 1 2 . 1 1 19 19 CYS CA C 19 58.721 58.721 61.285 -2.564 19288 497 1 2 . 1 1 19 19 CYS CB C 19 32.573 32.573 27.442 5.131 19288 498 1 2 . 1 1 19 19 CYS H H 19 7.999 7.999 7.938 0.061 19288 499 1 2 . 1 1 20 20 ALA N N 20 122.058 122.058 122.057 0.001 19288 500 1 2 . 1 1 20 20 ALA HA H 20 4.140 4.140 3.323 0.817 19288 501 1 2 . 1 1 20 20 ALA C C 20 177.014 177.014 178.466 -1.452 19288 502 1 2 . 1 1 20 20 ALA CA C 20 54.584 54.584 54.900 -0.316 19288 503 1 2 . 1 1 20 20 ALA CB C 20 17.127 17.127 18.426 -1.299 19288 504 1 2 . 1 1 20 20 ALA H H 20 8.067 8.067 7.174 0.893 19288 505 1 2 . 1 1 21 21 ARG N N 21 121.286 121.286 119.624 1.662 19288 506 1 2 . 1 1 21 21 ARG HA H 21 4.003 4.003 3.978 0.025 19288 507 1 2 . 1 1 21 21 ARG C C 21 175.133 175.133 178.129 -2.996 19288 508 1 2 . 1 1 21 21 ARG CA C 21 58.236 58.236 59.166 -0.930 19288 509 1 2 . 1 1 21 21 ARG CB C 21 31.677 31.677 29.348 2.329 19288 510 1 2 . 1 1 21 21 ARG H H 21 7.947 7.947 7.732 0.215 19288 511 1 2 . 1 1 22 22 ALA N N 22 123.966 123.966 119.998 3.968 19288 512 1 2 . 1 1 22 22 ALA HA H 22 5.008 5.008 3.904 1.104 19288 513 1 2 . 1 1 22 22 ALA C C 22 175.750 175.750 179.384 -3.634 19288 514 1 2 . 1 1 22 22 ALA CA C 22 50.811 50.811 55.820 -5.009 19288 515 1 2 . 1 1 22 22 ALA CB C 22 21.928 21.928 18.316 3.612 19288 516 1 2 . 1 1 22 22 ALA H H 22 7.968 7.968 7.410 0.558 19288 517 1 2 . 1 1 23 23 PHE N N 23 118.728 118.728 120.561 -1.833 19288 518 1 2 . 1 1 23 23 PHE HA H 23 4.678 4.678 4.082 0.596 19288 519 1 2 . 1 1 23 23 PHE C C 23 173.852 173.852 177.670 -3.818 19288 520 1 2 . 1 1 23 23 PHE CA C 23 57.367 57.367 62.172 -4.805 19288 521 1 2 . 1 1 23 23 PHE CB C 23 43.458 43.458 39.379 4.079 19288 522 1 2 . 1 1 23 23 PHE H H 23 9.004 9.004 8.061 0.943 19288 523 1 2 . 1 1 24 24 LYS N N 24 119.176 119.176 116.670 2.506 19288 524 1 2 . 1 1 24 24 LYS HA H 24 4.709 4.709 4.355 0.354 19288 525 1 2 . 1 1 24 24 LYS C C 24 176.934 176.934 178.295 -1.361 19288 526 1 2 . 1 1 24 24 LYS CA C 24 56.482 56.482 58.738 -2.256 19288 527 1 2 . 1 1 24 24 LYS CB C 24 33.111 33.111 32.040 1.071 19288 528 1 2 . 1 1 24 24 LYS H H 24 9.211 9.211 8.402 0.809 19288 529 1 2 . 1 1 25 25 SER N N 25 110.950 110.950 116.645 -5.695 19288 530 1 2 . 1 1 25 25 SER HA H 25 4.566 4.566 4.356 0.210 19288 531 1 2 . 1 1 25 25 SER C C 25 175.671 175.671 176.553 -0.882 19288 532 1 2 . 1 1 25 25 SER CA C 25 55.683 55.683 61.151 -5.468 19288 533 1 2 . 1 1 25 25 SER CB C 25 66.490 66.490 63.883 2.607 19288 534 1 2 . 1 1 25 25 SER H H 25 7.474 7.474 7.460 0.014 19288 535 1 2 . 1 1 26 26 SER N N 26 119.411 119.411 114.033 5.378 19288 536 1 2 . 1 1 26 26 SER C C 26 176.269 176.269 176.572 -0.303 19288 537 1 2 . 1 1 26 26 SER CA C 26 60.616 60.616 60.853 -0.237 19288 538 1 2 . 1 1 26 26 SER CB C 26 61.758 61.758 61.004 0.754 19288 539 1 2 . 1 1 26 26 SER H H 26 8.487 8.487 8.080 0.407 19288 540 1 2 . 1 1 27 27 HIS HA H 27 4.258 4.258 4.354 -0.096 19288 541 1 2 . 1 1 27 27 HIS C C 27 173.658 173.658 176.732 -3.074 19288 542 1 2 . 1 1 27 27 HIS CA C 27 59.581 59.581 58.270 1.311 19288 543 1 2 . 1 1 27 27 HIS CB C 27 29.913 29.913 29.551 0.362 19288 544 1 2 . 1 1 28 28 ASN N N 28 117.126 117.126 115.146 1.980 19288 545 1 2 . 1 1 28 28 ASN HA H 28 4.216 4.216 4.637 -0.421 19288 546 1 2 . 1 1 28 28 ASN CA C 28 55.547 55.547 53.853 1.694 19288 547 1 2 . 1 1 28 28 ASN CB C 28 37.634 37.634 37.635 -0.000 19288 548 1 2 . 1 1 28 28 ASN H H 28 7.681 7.681 7.673 0.008 19288 549 1 2 . 1 1 29 29 LEU N N 29 121.121 121.121 124.102 -2.981 19288 550 1 2 . 1 1 29 29 LEU HA H 29 3.177 3.177 4.199 -1.022 19288 551 1 2 . 1 1 29 29 LEU C C 29 176.205 176.205 176.666 -0.461 19288 552 1 2 . 1 1 29 29 LEU CA C 29 57.893 57.893 54.492 3.401 19288 553 1 2 . 1 1 29 29 LEU H H 29 7.300 7.300 7.835 -0.535 19288 554 1 2 . 1 1 30 30 ALA N N 30 122.058 122.058 124.296 -2.238 19288 555 1 2 . 1 1 30 30 ALA HA H 30 3.917 3.917 4.184 -0.267 19288 556 1 2 . 1 1 30 30 ALA C C 30 178.363 178.363 177.071 1.292 19288 557 1 2 . 1 1 30 30 ALA CA C 30 55.487 55.487 51.957 3.530 19288 558 1 2 . 1 1 30 30 ALA CB C 30 17.947 17.947 16.900 1.047 19288 559 1 2 . 1 1 30 30 ALA H H 30 7.987 7.987 7.489 0.498 19288 560 1 2 . 1 1 31 31 VAL N N 31 116.442 116.442 123.682 -7.240 19288 561 1 2 . 1 1 31 31 VAL HA H 31 3.556 3.556 4.033 -0.477 19288 562 1 2 . 1 1 31 31 VAL C C 31 176.352 176.352 174.764 1.588 19288 563 1 2 . 1 1 31 31 VAL CA C 31 65.936 65.936 61.627 4.309 19288 564 1 2 . 1 1 31 31 VAL CB C 31 32.281 32.281 30.689 1.592 19288 565 1 2 . 1 1 31 31 VAL H H 31 7.636 7.636 7.504 0.132 19288 566 1 2 . 1 1 32 32 HIS HA H 32 4.125 4.125 4.414 -0.289 19288 567 1 2 . 1 1 32 32 HIS C C 32 180.696 180.696 174.236 6.460 19288 568 1 2 . 1 1 32 32 HIS CA C 32 59.377 59.377 55.699 3.679 19288 569 1 2 . 1 1 32 32 HIS CB C 32 28.332 28.332 30.185 -1.853 19288 570 1 2 . 1 1 33 33 ARG N N 33 115.795 115.795 120.204 -4.409 19288 571 1 2 . 1 1 33 33 ARG HA H 33 3.658 3.658 4.365 -0.707 19288 572 1 2 . 1 1 33 33 ARG C C 33 178.735 178.735 175.487 3.248 19288 573 1 2 . 1 1 33 33 ARG CA C 33 60.012 60.012 56.566 3.446 19288 574 1 2 . 1 1 33 33 ARG CB C 33 31.144 31.144 28.647 2.497 19288 575 1 2 . 1 1 33 33 ARG H H 33 8.633 8.633 8.103 0.530 19288 576 1 2 . 1 1 34 34 MET N N 34 115.672 115.672 122.232 -6.560 19288 577 1 2 . 1 1 34 34 MET HA H 34 4.211 4.211 4.989 -0.778 19288 578 1 2 . 1 1 34 34 MET C C 34 176.427 176.427 175.427 1.000 19288 579 1 2 . 1 1 34 34 MET CA C 34 57.866 57.866 53.596 4.270 19288 580 1 2 . 1 1 34 34 MET CB C 34 32.221 32.221 34.261 -2.040 19288 581 1 2 . 1 1 34 34 MET H H 34 7.057 7.057 8.160 -1.103 19288 582 1 2 . 1 1 35 35 ILE N N 35 116.381 116.381 128.156 -11.775 19288 583 1 2 . 1 1 35 35 ILE HA H 35 3.904 3.904 4.217 -0.313 19288 584 1 2 . 1 1 35 35 ILE C C 35 177.504 177.504 176.308 1.196 19288 585 1 2 . 1 1 35 35 ILE CA C 35 63.402 63.402 61.357 2.045 19288 586 1 2 . 1 1 35 35 ILE CB C 35 37.724 37.724 37.397 0.327 19288 587 1 2 . 1 1 35 35 ILE H H 35 7.811 7.811 9.038 -1.227 19288 588 1 2 . 1 1 36 36 HIS N N 36 117.423 117.423 129.027 -11.604 19288 589 1 2 . 1 1 36 36 HIS HA H 36 4.481 4.481 4.677 -0.196 19288 590 1 2 . 1 1 36 36 HIS C C 36 178.413 178.413 174.001 4.412 19288 591 1 2 . 1 1 36 36 HIS CA C 36 55.260 55.260 56.216 -0.956 19288 592 1 2 . 1 1 36 36 HIS CB C 36 28.066 28.066 27.861 0.205 19288 593 1 2 . 1 1 36 36 HIS H H 36 7.247 7.247 8.640 -1.393 19288 594 1 2 . 1 1 37 37 THR N N 37 110.804 110.804 114.637 -3.833 19288 595 1 2 . 1 1 37 37 THR HA H 37 4.160 4.160 4.495 -0.335 19288 596 1 2 . 1 1 37 37 THR C C 37 177.179 177.179 174.822 2.357 19288 597 1 2 . 1 1 37 37 THR CA C 37 62.791 62.791 62.552 0.239 19288 598 1 2 . 1 1 37 37 THR CB C 37 69.712 69.712 71.224 -1.512 19288 599 1 2 . 1 1 37 37 THR H H 37 7.553 7.553 7.955 -0.402 19288 600 1 2 . 1 1 38 38 GLY N N 38 110.842 110.842 108.589 2.253 19288 601 1 2 . 1 1 38 38 GLY C C 38 175.821 175.821 174.321 1.500 19288 602 1 2 . 1 1 38 38 GLY CA C 38 45.403 45.403 43.720 1.683 19288 603 1 2 . 1 1 38 38 GLY H H 38 8.195 8.195 8.211 -0.016 19288 604 1 2 . 1 1 39 39 GLU N N 39 120.441 120.441 120.032 0.409 19288 605 1 2 . 1 1 39 39 GLU HA H 39 4.238 4.238 4.624 -0.386 19288 606 1 2 . 1 1 39 39 GLU C C 39 175.390 175.390 174.343 1.047 19288 607 1 2 . 1 1 39 39 GLU CA C 39 56.572 56.572 56.562 0.010 19288 608 1 2 . 1 1 39 39 GLU H H 39 7.953 7.953 8.459 -0.506 19288 609 1 2 . 1 1 40 40 LYS N N 40 123.624 123.624 124.118 -0.494 19288 610 1 2 . 1 1 40 40 LYS HA H 40 4.534 4.534 4.636 -0.102 19288 611 1 2 . 1 1 40 40 LYS C C 40 174.124 174.124 173.939 0.185 19288 612 1 2 . 1 1 40 40 LYS CA C 40 54.236 54.236 55.498 -1.262 19288 613 1 2 . 1 1 40 40 LYS CB C 40 32.769 32.769 35.948 -3.179 19288 614 1 2 . 1 1 40 40 LYS H H 40 8.321 8.321 8.005 0.316 19288 615 1 2 . 1 1 41 41 PRO HA H 41 4.404 4.404 4.750 -0.346 19288 616 1 2 . 1 1 41 41 PRO C C 41 176.103 176.103 175.391 0.712 19288 617 1 2 . 1 1 41 41 PRO CA C 41 63.174 63.174 62.113 1.061 19288 618 1 2 . 1 1 41 41 PRO CB C 41 32.306 32.306 33.219 -0.913 19288 619 1 2 . 1 1 42 42 LEU N N 42 122.177 122.177 125.416 -3.239 19288 620 1 2 . 1 1 42 42 LEU HA H 42 4.381 4.381 4.572 -0.191 19288 621 1 2 . 1 1 42 42 LEU CA C 42 54.626 54.626 52.613 2.013 19288 622 1 2 . 1 1 42 42 LEU CB C 42 42.719 42.719 45.442 -2.723 19288 623 1 2 . 1 1 42 42 LEU H H 42 8.293 8.293 8.899 -0.606 19288 624 1 2 . 1 1 43 43 GLN N N 43 119.188 119.188 118.669 0.519 19288 625 1 2 . 1 1 43 43 GLN HA H 43 5.181 5.181 4.392 0.789 19288 626 1 2 . 1 1 43 43 GLN C C 43 176.325 176.325 174.997 1.328 19288 627 1 2 . 1 1 43 43 GLN CA C 43 53.898 53.898 55.833 -1.935 19288 628 1 2 . 1 1 43 43 GLN CB C 43 32.969 32.969 30.415 2.554 19288 629 1 2 . 1 1 43 43 GLN H H 43 8.180 8.180 8.608 -0.428 19288 630 1 2 . 1 1 44 44 CYS N N 44 127.346 127.346 119.854 7.492 19288 631 1 2 . 1 1 44 44 CYS HA H 44 4.453 4.453 4.548 -0.095 19288 632 1 2 . 1 1 44 44 CYS C C 44 175.677 175.677 175.311 0.366 19288 633 1 2 . 1 1 44 44 CYS CA C 44 59.437 59.437 58.782 0.655 19288 634 1 2 . 1 1 44 44 CYS CB C 44 30.721 30.721 28.336 2.385 19288 635 1 2 . 1 1 44 44 CYS H H 44 9.299 9.299 8.225 1.074 19288 636 1 2 . 1 1 45 45 GLU N N 45 131.846 131.846 125.205 6.641 19288 637 1 2 . 1 1 45 45 GLU HA H 45 4.178 4.178 4.005 0.173 19288 638 1 2 . 1 1 45 45 GLU C C 45 174.655 174.655 178.623 -3.968 19288 639 1 2 . 1 1 45 45 GLU CA C 45 58.342 58.342 59.542 -1.200 19288 640 1 2 . 1 1 45 45 GLU CB C 45 29.819 29.819 28.855 0.964 19288 641 1 2 . 1 1 45 45 GLU H H 45 9.602 9.602 9.214 0.388 19288 642 1 2 . 1 1 46 46 ILE N N 46 121.898 121.898 118.699 3.199 19288 643 1 2 . 1 1 46 46 ILE HA H 46 3.840 3.840 4.059 -0.219 19288 644 1 2 . 1 1 46 46 ILE C C 46 177.404 177.404 178.167 -0.763 19288 645 1 2 . 1 1 46 46 ILE CA C 46 63.494 63.494 64.407 -0.913 19288 646 1 2 . 1 1 46 46 ILE CB C 46 38.461 38.461 36.870 1.591 19288 647 1 2 . 1 1 46 46 ILE H H 46 8.973 8.973 8.546 0.427 19288 648 1 2 . 1 1 47 47 CYS N N 47 117.274 117.274 117.597 -0.323 19288 649 1 2 . 1 1 47 47 CYS HA H 47 5.231 5.231 4.366 0.865 19288 650 1 2 . 1 1 47 47 CYS C C 47 176.087 176.087 176.997 -0.910 19288 651 1 2 . 1 1 47 47 CYS CA C 47 58.455 58.455 62.298 -3.843 19288 652 1 2 . 1 1 47 47 CYS CB C 47 33.590 33.590 27.542 6.048 19288 653 1 2 . 1 1 47 47 CYS H H 47 8.432 8.432 7.689 0.743 19288 654 1 2 . 1 1 48 48 GLY N N 48 112.655 112.655 110.968 1.687 19288 655 1 2 . 1 1 48 48 GLY C C 48 177.177 177.177 177.201 -0.024 19288 656 1 2 . 1 1 48 48 GLY CA C 48 46.253 46.253 47.888 -1.635 19288 657 1 2 . 1 1 48 48 GLY H H 48 8.016 8.016 7.773 0.243 19288 658 1 2 . 1 1 49 49 PHE N N 49 125.000 125.000 120.926 4.074 19288 659 1 2 . 1 1 49 49 PHE HA H 49 4.272 4.272 4.172 0.100 19288 660 1 2 . 1 1 49 49 PHE C C 49 176.313 176.313 178.123 -1.810 19288 661 1 2 . 1 1 49 49 PHE CA C 49 59.750 59.750 61.379 -1.629 19288 662 1 2 . 1 1 49 49 PHE CB C 49 41.278 41.278 38.471 2.807 19288 663 1 2 . 1 1 49 49 PHE H H 49 8.333 8.333 8.408 -0.075 19288 664 1 2 . 1 1 50 50 THR N N 50 118.297 118.297 113.056 5.241 19288 665 1 2 . 1 1 50 50 THR HA H 50 5.150 5.150 4.082 1.068 19288 666 1 2 . 1 1 50 50 THR C C 50 173.480 173.480 176.683 -3.203 19288 667 1 2 . 1 1 50 50 THR CA C 50 59.186 59.186 65.554 -6.368 19288 668 1 2 . 1 1 50 50 THR CB C 50 71.954 71.954 68.519 3.435 19288 669 1 2 . 1 1 50 50 THR H H 50 7.336 7.336 7.718 -0.382 19288 670 1 2 . 1 1 51 51 CYS N N 51 115.101 115.101 120.107 -5.006 19288 671 1 2 . 1 1 51 51 CYS HA H 51 4.540 4.540 3.831 0.709 19288 672 1 2 . 1 1 51 51 CYS C C 51 173.381 173.381 176.808 -3.427 19288 673 1 2 . 1 1 51 51 CYS CA C 51 56.305 56.305 62.762 -6.457 19288 674 1 2 . 1 1 51 51 CYS CB C 51 30.578 30.578 27.755 2.823 19288 675 1 2 . 1 1 51 51 CYS H H 51 8.318 8.318 7.992 0.326 19288 676 1 2 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.328 0.238 19288 677 1 2 . 1 1 52 52 ARG C C 52 172.494 172.494 178.172 -5.678 19288 678 1 2 . 1 1 52 52 ARG CA C 52 56.923 56.923 59.310 -2.387 19288 679 1 2 . 1 1 52 52 ARG CB C 52 31.891 31.891 30.687 1.204 19288 680 1 2 . 1 1 53 53 GLN N N 53 115.534 115.534 119.622 -4.088 19288 681 1 2 . 1 1 53 53 GLN HA H 53 4.719 4.719 4.202 0.516 19288 682 1 2 . 1 1 53 53 GLN CA C 53 54.637 54.637 58.386 -3.749 19288 683 1 2 . 1 1 53 53 GLN CB C 53 30.904 30.904 28.067 2.837 19288 684 1 2 . 1 1 53 53 GLN H H 53 7.649 7.649 7.551 0.098 19288 685 1 2 . 1 1 54 54 LYS N N 54 127.065 127.065 118.110 8.955 19288 686 1 2 . 1 1 54 54 LYS HA H 54 3.771 3.771 4.034 -0.263 19288 687 1 2 . 1 1 54 54 LYS C C 54 176.035 176.035 178.304 -2.269 19288 688 1 2 . 1 1 54 54 LYS CA C 54 59.833 59.833 58.210 1.623 19288 689 1 2 . 1 1 54 54 LYS CB C 54 32.087 32.087 31.843 0.244 19288 690 1 2 . 1 1 54 54 LYS H H 54 9.132 9.132 7.512 1.620 19288 691 1 2 . 1 1 55 55 ALA N N 55 120.230 120.230 119.408 0.822 19288 692 1 2 . 1 1 55 55 ALA HA H 55 4.135 4.135 4.796 -0.661 19288 693 1 2 . 1 1 55 55 ALA C C 55 176.728 176.728 177.303 -0.575 19288 694 1 2 . 1 1 55 55 ALA CA C 55 55.456 55.456 51.438 4.018 19288 695 1 2 . 1 1 55 55 ALA CB C 55 18.224 18.224 18.025 0.199 19288 696 1 2 . 1 1 55 55 ALA H H 55 9.016 9.016 7.294 1.722 19288 697 1 2 . 1 1 56 56 SER N N 56 112.225 112.225 114.657 -2.432 19288 698 1 2 . 1 1 56 56 SER HA H 56 4.509 4.509 4.372 0.137 19288 699 1 2 . 1 1 56 56 SER C C 56 178.309 178.309 175.471 2.838 19288 700 1 2 . 1 1 56 56 SER CA C 56 61.172 61.172 62.028 -0.856 19288 701 1 2 . 1 1 56 56 SER CB C 56 62.925 62.925 63.298 -0.373 19288 702 1 2 . 1 1 56 56 SER H H 56 7.097 7.097 7.459 -0.362 19288 703 1 2 . 1 1 57 57 LEU N N 57 126.317 126.317 118.918 7.399 19288 704 1 2 . 1 1 57 57 LEU HA H 57 4.327 4.327 4.616 -0.289 19288 705 1 2 . 1 1 57 57 LEU C C 57 180.642 180.642 177.903 2.739 19288 706 1 2 . 1 1 57 57 LEU CA C 57 58.038 58.038 56.679 1.359 19288 707 1 2 . 1 1 57 57 LEU CB C 57 41.443 41.443 42.339 -0.896 19288 708 1 2 . 1 1 57 57 LEU H H 57 7.667 7.667 7.741 -0.074 19288 709 1 2 . 1 1 58 58 ASN N N 58 118.325 118.325 115.990 2.335 19288 710 1 2 . 1 1 58 58 ASN HA H 58 4.364 4.364 5.079 -0.715 19288 711 1 2 . 1 1 58 58 ASN C C 58 176.770 176.770 176.937 -0.167 19288 712 1 2 . 1 1 58 58 ASN CA C 58 56.457 56.457 55.264 1.192 19288 713 1 2 . 1 1 58 58 ASN CB C 58 37.852 37.852 38.559 -0.707 19288 714 1 2 . 1 1 58 58 ASN H H 58 8.533 8.533 8.700 -0.167 19288 715 1 2 . 1 1 59 59 TRP N N 59 119.802 119.802 122.560 -2.758 19288 716 1 2 . 1 1 59 59 TRP HA H 59 4.349 4.349 4.369 -0.020 19288 717 1 2 . 1 1 59 59 TRP C C 59 178.160 178.160 178.077 0.083 19288 718 1 2 . 1 1 59 59 TRP CA C 59 60.432 60.432 60.184 0.248 19288 719 1 2 . 1 1 59 59 TRP CB C 59 29.304 29.304 28.881 0.423 19288 720 1 2 . 1 1 59 59 TRP H H 59 7.914 7.914 8.388 -0.474 19288 721 1 2 . 1 1 60 60 HIS N N 60 119.175 119.175 116.847 2.328 19288 722 1 2 . 1 1 60 60 HIS HA H 60 3.675 3.675 4.129 -0.454 19288 723 1 2 . 1 1 60 60 HIS C C 60 174.721 174.721 176.237 -1.516 19288 724 1 2 . 1 1 60 60 HIS CA C 60 60.038 60.038 58.708 1.330 19288 725 1 2 . 1 1 60 60 HIS CB C 60 28.143 28.143 29.077 -0.934 19288 726 1 2 . 1 1 60 60 HIS H H 60 8.131 8.131 7.849 0.282 19288 727 1 2 . 1 1 61 61 MET N N 61 114.602 114.602 114.007 0.595 19288 728 1 2 . 1 1 61 61 MET HA H 61 4.127 4.127 4.499 -0.372 19288 729 1 2 . 1 1 61 61 MET C C 61 178.337 178.337 176.731 1.606 19288 730 1 2 . 1 1 61 61 MET CA C 61 57.177 57.177 55.633 1.544 19288 731 1 2 . 1 1 61 61 MET CB C 61 30.085 30.085 31.901 -1.816 19288 732 1 2 . 1 1 61 61 MET H H 61 8.448 8.448 7.601 0.847 19288 733 1 2 . 1 1 62 62 LYS N N 62 118.858 118.858 120.307 -1.449 19288 734 1 2 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.101 -0.103 19288 735 1 2 . 1 1 62 62 LYS C C 62 176.716 176.716 176.580 0.136 19288 736 1 2 . 1 1 62 62 LYS CA C 62 58.512 58.512 57.116 1.396 19288 737 1 2 . 1 1 62 62 LYS CB C 62 31.694 31.694 33.261 -1.567 19288 738 1 2 . 1 1 62 62 LYS H H 62 7.285 7.285 7.417 -0.132 19288 739 1 2 . 1 1 63 63 LYS N N 63 117.683 117.683 119.563 -1.880 19288 740 1 2 . 1 1 63 63 LYS HA H 63 3.793 3.793 4.468 -0.675 19288 741 1 2 . 1 1 63 63 LYS C C 63 179.150 179.150 175.143 4.007 19288 742 1 2 . 1 1 63 63 LYS CA C 63 57.827 57.827 55.534 2.293 19288 743 1 2 . 1 1 63 63 LYS CB C 63 31.272 31.272 34.604 -3.332 19288 744 1 2 . 1 1 63 63 LYS H H 63 7.516 7.516 7.828 -0.312 19288 745 1 2 . 1 1 64 64 HIS N N 64 115.200 115.200 120.748 -5.548 19288 746 1 2 . 1 1 64 64 HIS HA H 64 4.708 4.708 4.807 -0.099 19288 747 1 2 . 1 1 64 64 HIS C C 64 178.727 178.727 173.267 5.460 19288 748 1 2 . 1 1 64 64 HIS CA C 64 55.628 55.628 54.687 0.941 19288 749 1 2 . 1 1 64 64 HIS CB C 64 28.782 28.782 32.698 -3.916 19288 750 1 2 . 1 1 64 64 HIS H H 64 7.155 7.155 8.529 -1.374 19288 751 1 2 . 1 1 65 65 ASP N N 65 120.441 120.441 121.813 -1.372 19288 752 1 2 . 1 1 65 65 ASP HA H 65 4.503 4.503 4.904 -0.401 19288 753 1 2 . 1 1 65 65 ASP C C 65 177.648 177.648 176.531 1.117 19288 754 1 2 . 1 1 65 65 ASP CA C 65 55.296 55.296 53.275 2.021 19288 755 1 2 . 1 1 65 65 ASP CB C 65 41.122 41.122 42.689 -1.567 19288 756 1 2 . 1 1 65 65 ASP H H 65 7.653 7.653 8.579 -0.926 19288 757 1 2 . 1 1 66 66 ALA N N 66 123.184 123.184 129.152 -5.968 19288 758 1 2 . 1 1 66 66 ALA HA H 66 4.141 4.141 4.169 -0.028 19288 759 1 2 . 1 1 66 66 ALA C C 66 175.172 175.172 178.879 -3.707 19288 760 1 2 . 1 1 66 66 ALA CA C 66 53.693 53.693 54.535 -0.842 19288 761 1 2 . 1 1 66 66 ALA CB C 66 19.049 19.049 18.988 0.061 19288 762 1 2 . 1 1 66 66 ALA H H 66 8.088 8.088 8.751 -0.663 19288 763 1 2 . 1 1 67 67 ASP N N 67 117.608 117.608 118.287 -0.679 19288 764 1 2 . 1 1 67 67 ASP HA H 67 4.175 4.175 4.471 -0.296 19288 765 1 2 . 1 1 67 67 ASP C C 67 176.687 176.687 176.508 0.179 19288 766 1 2 . 1 1 67 67 ASP CA C 67 54.842 54.842 54.723 0.119 19288 767 1 2 . 1 1 67 67 ASP CB C 67 40.957 40.957 41.161 -0.204 19288 768 1 2 . 1 1 67 67 ASP H H 67 7.999 7.999 8.174 -0.175 19288 769 1 2 . 1 1 68 68 SER N N 68 114.794 114.794 113.491 1.303 19288 770 1 2 . 1 1 68 68 SER HA H 68 4.145 4.145 4.712 -0.567 19288 771 1 2 . 1 1 68 68 SER C C 68 178.056 178.056 174.513 3.543 19288 772 1 2 . 1 1 68 68 SER CA C 68 59.397 59.397 56.184 3.213 19288 773 1 2 . 1 1 68 68 SER CB C 68 63.682 63.682 64.539 -0.857 19288 774 1 2 . 1 1 68 68 SER H H 68 7.797 7.797 7.720 0.077 19288 775 1 2 . 1 1 69 69 PHE N N 69 120.277 120.277 121.490 -1.213 19288 776 1 2 . 1 1 69 69 PHE HA H 69 4.474 4.474 4.623 -0.149 19288 777 1 2 . 1 1 69 69 PHE C C 69 176.959 176.959 174.659 2.300 19288 778 1 2 . 1 1 69 69 PHE CA C 69 58.048 58.048 57.264 0.784 19288 779 1 2 . 1 1 69 69 PHE H H 69 7.850 7.850 8.398 -0.548 19288 780 1 2 . 1 1 70 70 TYR N N 70 121.023 121.023 119.579 1.444 19288 781 1 2 . 1 1 70 70 TYR HA H 70 4.494 4.494 4.046 0.448 19288 782 1 2 . 1 1 70 70 TYR C C 70 174.330 174.330 174.911 -0.581 19288 783 1 2 . 1 1 70 70 TYR CA C 70 56.491 56.491 57.345 -0.854 19288 784 1 2 . 1 1 70 70 TYR CB C 70 37.727 37.727 39.558 -1.831 19288 785 1 2 . 1 1 70 70 TYR H H 70 7.818 7.818 8.026 -0.208 19288 786 1 2 . 1 1 71 71 GLN N N 71 119.046 119.046 117.553 1.493 19288 787 1 2 . 1 1 71 71 GLN HA H 71 4.085 4.085 4.027 0.058 19288 788 1 2 . 1 1 71 71 GLN C C 71 175.830 175.830 174.001 1.829 19288 789 1 2 . 1 1 71 71 GLN CA C 71 56.485 56.485 56.165 0.320 19288 790 1 2 . 1 1 71 71 GLN CB C 71 30.291 30.291 25.458 4.833 19288 791 1 2 . 1 1 71 71 GLN H H 71 8.352 8.352 7.705 0.647 19288 792 1 2 . 1 1 72 72 PHE N N 72 117.779 117.779 117.229 0.550 19288 793 1 2 . 1 1 72 72 PHE HA H 72 4.850 4.850 4.764 0.086 19288 794 1 2 . 1 1 72 72 PHE C C 72 176.323 176.323 176.395 -0.072 19288 795 1 2 . 1 1 72 72 PHE CA C 72 57.157 57.157 55.797 1.359 19288 796 1 2 . 1 1 72 72 PHE CB C 72 41.106 41.106 42.165 -1.059 19288 797 1 2 . 1 1 72 72 PHE H H 72 7.901 7.901 7.383 0.518 19288 798 1 2 . 1 1 73 73 SER N N 73 114.707 114.707 117.453 -2.746 19288 799 1 2 . 1 1 73 73 SER HA H 73 5.469 5.469 4.401 1.068 19288 800 1 2 . 1 1 73 73 SER C C 73 175.151 175.151 174.225 0.926 19288 801 1 2 . 1 1 73 73 SER CA C 73 57.026 57.026 60.838 -3.812 19288 802 1 2 . 1 1 73 73 SER CB C 73 65.963 65.963 63.631 2.332 19288 803 1 2 . 1 1 73 73 SER H H 73 8.744 8.744 8.843 -0.099 19288 804 1 2 . 1 1 74 74 CYS N N 74 124.143 124.143 115.180 8.963 19288 805 1 2 . 1 1 74 74 CYS HA H 74 4.391 4.391 4.679 -0.288 19288 806 1 2 . 1 1 74 74 CYS C C 74 174.848 174.848 175.225 -0.377 19288 807 1 2 . 1 1 74 74 CYS CA C 74 59.743 59.743 57.829 1.914 19288 808 1 2 . 1 1 74 74 CYS CB C 74 30.581 30.581 29.216 1.365 19288 809 1 2 . 1 1 74 74 CYS H H 74 9.154 9.154 7.936 1.218 19288 810 1 2 . 1 1 75 75 ASN HA H 75 4.501 4.501 3.963 0.538 19288 811 1 2 . 1 1 75 75 ASN C C 75 173.664 173.664 177.123 -3.459 19288 812 1 2 . 1 1 75 75 ASN CA C 75 55.316 55.316 56.383 -1.067 19288 813 1 2 . 1 1 75 75 ASN CB C 75 36.774 36.774 38.075 -1.301 19288 814 1 2 . 1 1 76 76 ILE N N 76 123.143 123.143 118.481 4.662 19288 815 1 2 . 1 1 76 76 ILE HA H 76 3.908 3.908 3.873 0.035 19288 816 1 2 . 1 1 76 76 ILE CA C 76 63.223 63.223 64.602 -1.379 19288 817 1 2 . 1 1 76 76 ILE CB C 76 38.269 38.269 37.713 0.556 19288 818 1 2 . 1 1 76 76 ILE H H 76 8.921 8.921 8.316 0.605 19288 819 1 2 . 1 1 77 77 CYS N N 77 116.298 116.298 118.291 -1.993 19288 820 1 2 . 1 1 77 77 CYS HA H 77 5.159 5.159 3.885 1.274 19288 821 1 2 . 1 1 77 77 CYS C C 77 174.401 174.401 176.740 -2.339 19288 822 1 2 . 1 1 77 77 CYS CA C 77 58.394 58.394 61.901 -3.507 19288 823 1 2 . 1 1 77 77 CYS CB C 77 32.743 32.743 26.869 5.873 19288 824 1 2 . 1 1 77 77 CYS H H 77 8.243 8.243 7.383 0.860 19288 825 1 2 . 1 1 78 78 GLY N N 78 113.607 113.607 111.224 2.383 19288 826 1 2 . 1 1 78 78 GLY C C 78 176.862 176.862 176.267 0.595 19288 827 1 2 . 1 1 78 78 GLY CA C 78 46.321 46.321 49.084 -2.763 19288 828 1 2 . 1 1 78 78 GLY H H 78 8.060 8.060 7.055 1.005 19288 829 1 2 . 1 1 79 79 LYS N N 79 123.134 123.134 119.903 3.231 19288 830 1 2 . 1 1 79 79 LYS HA H 79 3.950 3.950 3.824 0.126 19288 831 1 2 . 1 1 79 79 LYS C C 79 176.484 176.484 178.284 -1.800 19288 832 1 2 . 1 1 79 79 LYS CA C 79 58.342 58.342 59.873 -1.531 19288 833 1 2 . 1 1 79 79 LYS CB C 79 33.770 33.770 30.979 2.791 19288 834 1 2 . 1 1 79 79 LYS H H 79 7.977 7.977 8.117 -0.140 19288 835 1 2 . 1 1 80 80 LYS N N 80 121.440 121.440 119.521 1.919 19288 836 1 2 . 1 1 80 80 LYS HA H 80 4.884 4.884 3.976 0.908 19288 837 1 2 . 1 1 80 80 LYS C C 80 173.961 173.961 178.427 -4.466 19288 838 1 2 . 1 1 80 80 LYS CA C 80 55.524 55.524 59.227 -3.703 19288 839 1 2 . 1 1 80 80 LYS CB C 80 35.024 35.024 31.597 3.427 19288 840 1 2 . 1 1 80 80 LYS H H 80 7.918 7.918 7.540 0.378 19288 841 1 2 . 1 1 81 81 PHE N N 81 116.724 116.724 119.969 -3.245 19288 842 1 2 . 1 1 81 81 PHE HA H 81 4.598 4.598 4.278 0.320 19288 843 1 2 . 1 1 81 81 PHE C C 81 174.541 174.541 177.897 -3.356 19288 844 1 2 . 1 1 81 81 PHE CA C 81 57.359 57.359 61.823 -4.464 19288 845 1 2 . 1 1 81 81 PHE CB C 81 44.738 44.738 39.214 5.524 19288 846 1 2 . 1 1 81 81 PHE H H 81 8.725 8.725 7.960 0.765 19288 847 1 2 . 1 1 82 82 GLU N N 82 120.474 120.474 119.984 0.490 19288 848 1 2 . 1 1 82 82 GLU HA H 82 4.155 4.155 4.230 -0.075 19288 849 1 2 . 1 1 82 82 GLU C C 82 175.832 175.832 178.922 -3.090 19288 850 1 2 . 1 1 82 82 GLU CA C 82 57.900 57.900 59.441 -1.541 19288 851 1 2 . 1 1 82 82 GLU CB C 82 30.829 30.829 29.640 1.189 19288 852 1 2 . 1 1 82 82 GLU H H 82 8.775 8.775 8.124 0.651 19288 853 1 2 . 1 1 83 83 LYS N N 83 114.607 114.607 117.456 -2.849 19288 854 1 2 . 1 1 83 83 LYS HA H 83 4.607 4.607 4.131 0.476 19288 855 1 2 . 1 1 83 83 LYS C C 83 174.585 174.585 177.306 -2.721 19288 856 1 2 . 1 1 83 83 LYS CA C 83 54.369 54.369 59.017 -4.648 19288 857 1 2 . 1 1 83 83 LYS CB C 83 35.540 35.540 32.135 3.405 19288 858 1 2 . 1 1 83 83 LYS H H 83 7.547 7.547 7.822 -0.275 19288 859 1 2 . 1 1 84 84 LYS N N 84 124.921 124.921 116.376 8.545 19288 860 1 2 . 1 1 84 84 LYS HA H 84 3.073 3.073 4.321 -1.248 19288 861 1 2 . 1 1 84 84 LYS C C 84 176.545 176.545 178.368 -1.823 19288 862 1 2 . 1 1 84 84 LYS CA C 84 59.680 59.680 57.881 1.799 19288 863 1 2 . 1 1 84 84 LYS CB C 84 31.920 31.920 33.011 -1.091 19288 864 1 2 . 1 1 84 84 LYS H H 84 8.162 8.162 7.538 0.624 19288 865 1 2 . 1 1 85 85 ASP N N 85 116.468 116.468 118.548 -2.080 19288 866 1 2 . 1 1 85 85 ASP HA H 85 4.192 4.192 4.413 -0.221 19288 867 1 2 . 1 1 85 85 ASP C C 85 176.385 176.385 175.853 0.532 19288 868 1 2 . 1 1 85 85 ASP CA C 85 56.789 56.789 55.681 1.108 19288 869 1 2 . 1 1 85 85 ASP CB C 85 39.780 39.780 41.442 -1.662 19288 870 1 2 . 1 1 85 85 ASP H H 85 8.682 8.682 8.153 0.529 19288 871 1 2 . 1 1 86 86 SER N N 86 114.601 114.601 117.460 -2.859 19288 872 1 2 . 1 1 86 86 SER HA H 86 4.183 4.183 4.803 -0.620 19288 873 1 2 . 1 1 86 86 SER C C 86 179.169 179.169 172.508 6.661 19288 874 1 2 . 1 1 86 86 SER CA C 86 60.939 60.939 54.996 5.943 19288 875 1 2 . 1 1 86 86 SER CB C 86 62.823 62.823 63.685 -0.862 19288 876 1 2 . 1 1 86 86 SER H H 86 7.200 7.200 7.746 -0.546 19288 877 1 2 . 1 1 87 87 VAL HA H 87 2.698 2.698 4.233 -1.535 19288 878 1 2 . 1 1 87 87 VAL C C 87 178.806 178.806 175.138 3.668 19288 879 1 2 . 1 1 87 87 VAL CA C 87 66.028 66.028 61.927 4.101 19288 880 1 2 . 1 1 87 87 VAL CB C 87 31.461 31.461 30.224 1.237 19288 881 1 2 . 1 1 88 88 VAL N N 88 120.424 120.424 122.502 -2.078 19288 882 1 2 . 1 1 88 88 VAL HA H 88 3.485 3.485 4.139 -0.654 19288 883 1 2 . 1 1 88 88 VAL C C 88 176.208 176.208 174.908 1.300 19288 884 1 2 . 1 1 88 88 VAL CA C 88 66.735 66.735 62.308 4.427 19288 885 1 2 . 1 1 88 88 VAL CB C 88 31.948 31.948 31.199 0.749 19288 886 1 2 . 1 1 88 88 VAL H H 88 7.190 7.190 8.062 -0.872 19288 887 1 3 . 1 1 10 10 HIS HA H 10 4.620 4.620 5.091 -0.471 19288 888 1 3 . 1 1 10 10 HIS CA C 10 56.302 56.302 54.601 1.701 19288 889 1 3 . 1 1 10 10 HIS CB C 10 30.312 30.312 31.700 -1.388 19288 890 1 3 . 1 1 11 11 MET N N 11 121.464 121.464 125.505 -4.041 19288 891 1 3 . 1 1 11 11 MET HA H 11 4.387 4.387 4.820 -0.433 19288 892 1 3 . 1 1 11 11 MET CA C 11 55.835 55.835 55.711 0.124 19288 893 1 3 . 1 1 11 11 MET CB C 11 32.794 32.794 34.265 -1.471 19288 894 1 3 . 1 1 11 11 MET H H 11 8.178 8.178 8.351 -0.173 19288 895 1 3 . 1 1 12 12 ARG N N 12 121.614 121.614 118.882 2.732 19288 896 1 3 . 1 1 12 12 ARG HA H 12 4.244 4.244 4.640 -0.396 19288 897 1 3 . 1 1 12 12 ARG CA C 12 55.802 55.802 56.560 -0.758 19288 898 1 3 . 1 1 12 12 ARG CB C 12 31.110 31.110 31.422 -0.312 19288 899 1 3 . 1 1 12 12 ARG H H 12 8.209 8.209 8.693 -0.484 19288 900 1 3 . 1 1 13 13 ASP N N 13 119.634 119.634 118.715 0.919 19288 901 1 3 . 1 1 13 13 ASP HA H 13 4.667 4.667 4.722 -0.055 19288 902 1 3 . 1 1 13 13 ASP C C 13 175.723 175.723 173.589 2.134 19288 903 1 3 . 1 1 13 13 ASP CA C 13 54.112 54.112 53.799 0.313 19288 904 1 3 . 1 1 13 13 ASP CB C 13 42.459 42.459 42.068 0.391 19288 905 1 3 . 1 1 13 13 ASP H H 13 7.858 7.858 7.677 0.181 19288 906 1 3 . 1 1 14 14 TYR N N 14 120.932 120.932 118.467 2.465 19288 907 1 3 . 1 1 14 14 TYR HA H 14 4.534 4.534 4.804 -0.270 19288 908 1 3 . 1 1 14 14 TYR C C 14 174.767 174.767 175.978 -1.211 19288 909 1 3 . 1 1 14 14 TYR CA C 14 57.521 57.521 57.193 0.328 19288 910 1 3 . 1 1 14 14 TYR CB C 14 38.608 38.608 42.594 -3.986 19288 911 1 3 . 1 1 14 14 TYR H H 14 8.676 8.676 8.359 0.317 19288 912 1 3 . 1 1 15 15 ILE N N 15 124.585 124.585 118.312 6.273 19288 913 1 3 . 1 1 15 15 ILE HA H 15 4.714 4.714 4.546 0.168 19288 914 1 3 . 1 1 15 15 ILE C C 15 175.178 175.178 174.473 0.705 19288 915 1 3 . 1 1 15 15 ILE CA C 15 59.647 59.647 60.655 -1.008 19288 916 1 3 . 1 1 15 15 ILE CB C 15 39.969 39.969 38.938 1.031 19288 917 1 3 . 1 1 15 15 ILE H H 15 8.479 8.479 9.059 -0.580 19288 918 1 3 . 1 1 16 16 CYS N N 16 129.411 129.411 116.665 12.746 19288 919 1 3 . 1 1 16 16 CYS HA H 16 4.334 4.334 4.745 -0.411 19288 920 1 3 . 1 1 16 16 CYS C C 16 174.675 174.675 174.810 -0.135 19288 921 1 3 . 1 1 16 16 CYS CA C 16 61.303 61.303 58.498 2.805 19288 922 1 3 . 1 1 16 16 CYS CB C 16 30.233 30.233 30.628 -0.395 19288 923 1 3 . 1 1 16 16 CYS H H 16 9.141 9.141 7.682 1.459 19288 924 1 3 . 1 1 17 17 GLU N N 17 133.830 133.830 123.371 10.459 19288 925 1 3 . 1 1 17 17 GLU HA H 17 4.200 4.200 3.800 0.400 19288 926 1 3 . 1 1 17 17 GLU C C 17 175.826 175.826 178.033 -2.207 19288 927 1 3 . 1 1 17 17 GLU CA C 17 58.616 58.616 58.159 0.457 19288 928 1 3 . 1 1 17 17 GLU CB C 17 28.133 28.133 29.491 -1.357 19288 929 1 3 . 1 1 17 17 GLU H H 17 10.744 10.744 8.904 1.840 19288 930 1 3 . 1 1 18 18 TYR N N 18 121.850 121.850 122.057 -0.207 19288 931 1 3 . 1 1 18 18 TYR HA H 18 4.316 4.316 4.364 -0.048 19288 932 1 3 . 1 1 18 18 TYR C C 18 176.782 176.782 178.263 -1.481 19288 933 1 3 . 1 1 18 18 TYR CA C 18 60.371 60.371 60.562 -0.191 19288 934 1 3 . 1 1 18 18 TYR CB C 18 37.374 37.374 38.178 -0.804 19288 935 1 3 . 1 1 18 18 TYR H H 18 9.190 9.190 8.634 0.556 19288 936 1 3 . 1 1 19 19 CYS N N 19 116.138 116.138 119.112 -2.974 19288 937 1 3 . 1 1 19 19 CYS HA H 19 5.111 5.111 4.305 0.806 19288 938 1 3 . 1 1 19 19 CYS C C 19 176.019 176.019 176.975 -0.956 19288 939 1 3 . 1 1 19 19 CYS CA C 19 58.721 58.721 61.777 -3.056 19288 940 1 3 . 1 1 19 19 CYS CB C 19 32.573 32.573 27.727 4.846 19288 941 1 3 . 1 1 19 19 CYS H H 19 7.999 7.999 8.288 -0.289 19288 942 1 3 . 1 1 20 20 ALA N N 20 122.058 122.058 122.038 0.020 19288 943 1 3 . 1 1 20 20 ALA HA H 20 4.140 4.140 3.550 0.590 19288 944 1 3 . 1 1 20 20 ALA C C 20 177.014 177.014 178.419 -1.405 19288 945 1 3 . 1 1 20 20 ALA CA C 20 54.584 54.584 54.371 0.213 19288 946 1 3 . 1 1 20 20 ALA CB C 20 17.127 17.127 18.471 -1.344 19288 947 1 3 . 1 1 20 20 ALA H H 20 8.067 8.067 7.530 0.537 19288 948 1 3 . 1 1 21 21 ARG N N 21 121.286 121.286 119.800 1.486 19288 949 1 3 . 1 1 21 21 ARG HA H 21 4.003 4.003 3.982 0.021 19288 950 1 3 . 1 1 21 21 ARG C C 21 175.133 175.133 178.392 -3.259 19288 951 1 3 . 1 1 21 21 ARG CA C 21 58.236 58.236 59.133 -0.897 19288 952 1 3 . 1 1 21 21 ARG CB C 21 31.677 31.677 29.291 2.386 19288 953 1 3 . 1 1 21 21 ARG H H 21 7.947 7.947 7.729 0.218 19288 954 1 3 . 1 1 22 22 ALA N N 22 123.966 123.966 121.172 2.794 19288 955 1 3 . 1 1 22 22 ALA HA H 22 5.008 5.008 3.754 1.254 19288 956 1 3 . 1 1 22 22 ALA C C 22 175.750 175.750 179.502 -3.752 19288 957 1 3 . 1 1 22 22 ALA CA C 22 50.811 50.811 56.214 -5.403 19288 958 1 3 . 1 1 22 22 ALA CB C 22 21.928 21.928 18.094 3.834 19288 959 1 3 . 1 1 22 22 ALA H H 22 7.968 7.968 7.581 0.387 19288 960 1 3 . 1 1 23 23 PHE N N 23 118.728 118.728 120.292 -1.564 19288 961 1 3 . 1 1 23 23 PHE HA H 23 4.678 4.678 4.152 0.526 19288 962 1 3 . 1 1 23 23 PHE C C 23 173.852 173.852 176.769 -2.917 19288 963 1 3 . 1 1 23 23 PHE CA C 23 57.367 57.367 61.679 -4.312 19288 964 1 3 . 1 1 23 23 PHE CB C 23 43.458 43.458 39.333 4.125 19288 965 1 3 . 1 1 23 23 PHE H H 23 9.004 9.004 7.879 1.125 19288 966 1 3 . 1 1 24 24 LYS N N 24 119.176 119.176 114.583 4.593 19288 967 1 3 . 1 1 24 24 LYS HA H 24 4.709 4.709 3.443 1.266 19288 968 1 3 . 1 1 24 24 LYS C C 24 176.934 176.934 178.166 -1.232 19288 969 1 3 . 1 1 24 24 LYS CA C 24 56.482 56.482 57.493 -1.011 19288 970 1 3 . 1 1 24 24 LYS CB C 24 33.111 33.111 32.114 0.997 19288 971 1 3 . 1 1 24 24 LYS H H 24 9.211 9.211 8.037 1.174 19288 972 1 3 . 1 1 25 25 SER N N 25 110.950 110.950 117.488 -6.538 19288 973 1 3 . 1 1 25 25 SER HA H 25 4.566 4.566 4.244 0.322 19288 974 1 3 . 1 1 25 25 SER C C 25 175.671 175.671 175.947 -0.276 19288 975 1 3 . 1 1 25 25 SER CA C 25 55.683 55.683 59.979 -4.296 19288 976 1 3 . 1 1 25 25 SER CB C 25 66.490 66.490 62.978 3.512 19288 977 1 3 . 1 1 25 25 SER H H 25 7.474 7.474 7.333 0.141 19288 978 1 3 . 1 1 26 26 SER N N 26 119.411 119.411 112.284 7.127 19288 979 1 3 . 1 1 26 26 SER C C 26 176.269 176.269 175.713 0.556 19288 980 1 3 . 1 1 26 26 SER CA C 26 60.616 60.616 59.457 1.159 19288 981 1 3 . 1 1 26 26 SER CB C 26 61.758 61.758 60.872 0.886 19288 982 1 3 . 1 1 26 26 SER H H 26 8.487 8.487 7.576 0.911 19288 983 1 3 . 1 1 27 27 HIS HA H 27 4.258 4.258 4.610 -0.352 19288 984 1 3 . 1 1 27 27 HIS C C 27 173.658 173.658 176.162 -2.504 19288 985 1 3 . 1 1 27 27 HIS CA C 27 59.581 59.581 54.905 4.676 19288 986 1 3 . 1 1 27 27 HIS CB C 27 29.913 29.913 28.692 1.220 19288 987 1 3 . 1 1 28 28 ASN N N 28 117.126 117.126 114.169 2.957 19288 988 1 3 . 1 1 28 28 ASN HA H 28 4.216 4.216 4.723 -0.507 19288 989 1 3 . 1 1 28 28 ASN CA C 28 55.547 55.547 52.694 2.853 19288 990 1 3 . 1 1 28 28 ASN CB C 28 37.634 37.634 38.293 -0.659 19288 991 1 3 . 1 1 28 28 ASN H H 28 7.681 7.681 7.645 0.036 19288 992 1 3 . 1 1 29 29 LEU N N 29 121.121 121.121 122.765 -1.644 19288 993 1 3 . 1 1 29 29 LEU HA H 29 3.177 3.177 3.996 -0.819 19288 994 1 3 . 1 1 29 29 LEU C C 29 176.205 176.205 176.987 -0.782 19288 995 1 3 . 1 1 29 29 LEU CA C 29 57.893 57.893 54.952 2.941 19288 996 1 3 . 1 1 29 29 LEU H H 29 7.300 7.300 7.825 -0.525 19288 997 1 3 . 1 1 30 30 ALA N N 30 122.058 122.058 121.843 0.215 19288 998 1 3 . 1 1 30 30 ALA HA H 30 3.917 3.917 4.431 -0.514 19288 999 1 3 . 1 1 30 30 ALA C C 30 178.363 178.363 176.760 1.603 19288 1000 1 3 . 1 1 30 30 ALA CA C 30 55.487 55.487 51.761 3.726 19288 1001 1 3 . 1 1 30 30 ALA CB C 30 17.947 17.947 18.346 -0.399 19288 1002 1 3 . 1 1 30 30 ALA H H 30 7.987 7.987 8.059 -0.072 19288 1003 1 3 . 1 1 31 31 VAL N N 31 116.442 116.442 117.251 -0.809 19288 1004 1 3 . 1 1 31 31 VAL HA H 31 3.556 3.556 4.456 -0.900 19288 1005 1 3 . 1 1 31 31 VAL C C 31 176.352 176.352 173.289 3.063 19288 1006 1 3 . 1 1 31 31 VAL CA C 31 65.936 65.936 60.017 5.918 19288 1007 1 3 . 1 1 31 31 VAL CB C 31 32.281 32.281 31.251 1.030 19288 1008 1 3 . 1 1 31 31 VAL H H 31 7.636 7.636 7.138 0.498 19288 1009 1 3 . 1 1 32 32 HIS HA H 32 4.125 4.125 4.494 -0.369 19288 1010 1 3 . 1 1 32 32 HIS C C 32 180.696 180.696 174.357 6.339 19288 1011 1 3 . 1 1 32 32 HIS CA C 32 59.377 59.377 55.866 3.511 19288 1012 1 3 . 1 1 32 32 HIS CB C 32 28.332 28.332 30.210 -1.878 19288 1013 1 3 . 1 1 33 33 ARG N N 33 115.795 115.795 120.014 -4.219 19288 1014 1 3 . 1 1 33 33 ARG HA H 33 3.658 3.658 4.397 -0.739 19288 1015 1 3 . 1 1 33 33 ARG C C 33 178.735 178.735 175.309 3.426 19288 1016 1 3 . 1 1 33 33 ARG CA C 33 60.012 60.012 56.429 3.583 19288 1017 1 3 . 1 1 33 33 ARG CB C 33 31.144 31.144 29.393 1.751 19288 1018 1 3 . 1 1 33 33 ARG H H 33 8.633 8.633 8.209 0.424 19288 1019 1 3 . 1 1 34 34 MET N N 34 115.672 115.672 123.853 -8.181 19288 1020 1 3 . 1 1 34 34 MET HA H 34 4.211 4.211 5.204 -0.993 19288 1021 1 3 . 1 1 34 34 MET C C 34 176.427 176.427 175.436 0.991 19288 1022 1 3 . 1 1 34 34 MET CA C 34 57.866 57.866 53.520 4.346 19288 1023 1 3 . 1 1 34 34 MET CB C 34 32.221 32.221 35.845 -3.624 19288 1024 1 3 . 1 1 34 34 MET H H 34 7.057 7.057 8.381 -1.324 19288 1025 1 3 . 1 1 35 35 ILE N N 35 116.381 116.381 129.806 -13.425 19288 1026 1 3 . 1 1 35 35 ILE HA H 35 3.904 3.904 4.164 -0.260 19288 1027 1 3 . 1 1 35 35 ILE C C 35 177.504 177.504 175.126 2.378 19288 1028 1 3 . 1 1 35 35 ILE CA C 35 63.402 63.402 61.955 1.447 19288 1029 1 3 . 1 1 35 35 ILE CB C 35 37.724 37.724 37.209 0.515 19288 1030 1 3 . 1 1 35 35 ILE H H 35 7.811 7.811 8.926 -1.115 19288 1031 1 3 . 1 1 36 36 HIS N N 36 117.423 117.423 126.650 -9.227 19288 1032 1 3 . 1 1 36 36 HIS HA H 36 4.481 4.481 4.755 -0.274 19288 1033 1 3 . 1 1 36 36 HIS C C 36 178.413 178.413 173.842 4.571 19288 1034 1 3 . 1 1 36 36 HIS CA C 36 55.260 55.260 55.764 -0.504 19288 1035 1 3 . 1 1 36 36 HIS CB C 36 28.066 28.066 29.711 -1.645 19288 1036 1 3 . 1 1 36 36 HIS H H 36 7.247 7.247 8.449 -1.202 19288 1037 1 3 . 1 1 37 37 THR N N 37 110.804 110.804 115.609 -4.805 19288 1038 1 3 . 1 1 37 37 THR HA H 37 4.160 4.160 4.561 -0.401 19288 1039 1 3 . 1 1 37 37 THR C C 37 177.179 177.179 174.262 2.917 19288 1040 1 3 . 1 1 37 37 THR CA C 37 62.791 62.791 62.897 -0.106 19288 1041 1 3 . 1 1 37 37 THR CB C 37 69.712 69.712 71.901 -2.189 19288 1042 1 3 . 1 1 37 37 THR H H 37 7.553 7.553 7.923 -0.370 19288 1043 1 3 . 1 1 38 38 GLY N N 38 110.842 110.842 108.552 2.290 19288 1044 1 3 . 1 1 38 38 GLY C C 38 175.821 175.821 175.348 0.473 19288 1045 1 3 . 1 1 38 38 GLY CA C 38 45.403 45.403 42.861 2.542 19288 1046 1 3 . 1 1 38 38 GLY H H 38 8.195 8.195 7.665 0.530 19288 1047 1 3 . 1 1 39 39 GLU N N 39 120.441 120.441 124.338 -3.897 19288 1048 1 3 . 1 1 39 39 GLU HA H 39 4.238 4.238 4.327 -0.089 19288 1049 1 3 . 1 1 39 39 GLU C C 39 175.390 175.390 174.828 0.562 19288 1050 1 3 . 1 1 39 39 GLU CA C 39 56.572 56.572 58.122 -1.550 19288 1051 1 3 . 1 1 39 39 GLU H H 39 7.953 7.953 8.799 -0.846 19288 1052 1 3 . 1 1 40 40 LYS N N 40 123.624 123.624 126.550 -2.926 19288 1053 1 3 . 1 1 40 40 LYS HA H 40 4.534 4.534 4.571 -0.037 19288 1054 1 3 . 1 1 40 40 LYS C C 40 174.124 174.124 174.104 0.020 19288 1055 1 3 . 1 1 40 40 LYS CA C 40 54.236 54.236 55.130 -0.894 19288 1056 1 3 . 1 1 40 40 LYS CB C 40 32.769 32.769 35.833 -3.063 19288 1057 1 3 . 1 1 40 40 LYS H H 40 8.321 8.321 7.831 0.490 19288 1058 1 3 . 1 1 41 41 PRO HA H 41 4.404 4.404 4.969 -0.565 19288 1059 1 3 . 1 1 41 41 PRO C C 41 176.103 176.103 175.503 0.600 19288 1060 1 3 . 1 1 41 41 PRO CA C 41 63.174 63.174 62.057 1.117 19288 1061 1 3 . 1 1 41 41 PRO CB C 41 32.306 32.306 32.791 -0.485 19288 1062 1 3 . 1 1 42 42 LEU N N 42 122.177 122.177 127.549 -5.372 19288 1063 1 3 . 1 1 42 42 LEU HA H 42 4.381 4.381 4.710 -0.329 19288 1064 1 3 . 1 1 42 42 LEU CA C 42 54.626 54.626 51.789 2.837 19288 1065 1 3 . 1 1 42 42 LEU CB C 42 42.719 42.719 44.654 -1.935 19288 1066 1 3 . 1 1 42 42 LEU H H 42 8.293 8.293 8.763 -0.470 19288 1067 1 3 . 1 1 43 43 GLN N N 43 119.188 119.188 118.485 0.703 19288 1068 1 3 . 1 1 43 43 GLN HA H 43 5.181 5.181 4.338 0.843 19288 1069 1 3 . 1 1 43 43 GLN C C 43 176.325 176.325 175.448 0.877 19288 1070 1 3 . 1 1 43 43 GLN CA C 43 53.898 53.898 55.931 -2.033 19288 1071 1 3 . 1 1 43 43 GLN CB C 43 32.969 32.969 29.149 3.820 19288 1072 1 3 . 1 1 43 43 GLN H H 43 8.180 8.180 8.521 -0.341 19288 1073 1 3 . 1 1 44 44 CYS N N 44 127.346 127.346 120.482 6.864 19288 1074 1 3 . 1 1 44 44 CYS HA H 44 4.453 4.453 4.748 -0.295 19288 1075 1 3 . 1 1 44 44 CYS C C 44 175.677 175.677 174.466 1.211 19288 1076 1 3 . 1 1 44 44 CYS CA C 44 59.437 59.437 57.079 2.358 19288 1077 1 3 . 1 1 44 44 CYS CB C 44 30.721 30.721 29.372 1.349 19288 1078 1 3 . 1 1 44 44 CYS H H 44 9.299 9.299 7.508 1.791 19288 1079 1 3 . 1 1 45 45 GLU N N 45 131.846 131.846 124.437 7.409 19288 1080 1 3 . 1 1 45 45 GLU HA H 45 4.178 4.178 3.972 0.206 19288 1081 1 3 . 1 1 45 45 GLU C C 45 174.655 174.655 177.995 -3.340 19288 1082 1 3 . 1 1 45 45 GLU CA C 45 58.342 58.342 59.594 -1.252 19288 1083 1 3 . 1 1 45 45 GLU CB C 45 29.819 29.819 29.017 0.802 19288 1084 1 3 . 1 1 45 45 GLU H H 45 9.602 9.602 9.110 0.492 19288 1085 1 3 . 1 1 46 46 ILE N N 46 121.898 121.898 119.202 2.696 19288 1086 1 3 . 1 1 46 46 ILE HA H 46 3.840 3.840 4.067 -0.227 19288 1087 1 3 . 1 1 46 46 ILE C C 46 177.404 177.404 178.396 -0.992 19288 1088 1 3 . 1 1 46 46 ILE CA C 46 63.494 63.494 64.292 -0.798 19288 1089 1 3 . 1 1 46 46 ILE CB C 46 38.461 38.461 36.907 1.554 19288 1090 1 3 . 1 1 46 46 ILE H H 46 8.973 8.973 8.605 0.368 19288 1091 1 3 . 1 1 47 47 CYS N N 47 117.274 117.274 117.982 -0.708 19288 1092 1 3 . 1 1 47 47 CYS HA H 47 5.231 5.231 4.341 0.890 19288 1093 1 3 . 1 1 47 47 CYS C C 47 176.087 176.087 176.981 -0.894 19288 1094 1 3 . 1 1 47 47 CYS CA C 47 58.455 58.455 62.184 -3.729 19288 1095 1 3 . 1 1 47 47 CYS CB C 47 33.590 33.590 27.924 5.666 19288 1096 1 3 . 1 1 47 47 CYS H H 47 8.432 8.432 7.616 0.816 19288 1097 1 3 . 1 1 48 48 GLY N N 48 112.655 112.655 111.725 0.930 19288 1098 1 3 . 1 1 48 48 GLY C C 48 177.177 177.177 177.238 -0.061 19288 1099 1 3 . 1 1 48 48 GLY CA C 48 46.253 46.253 48.420 -2.167 19288 1100 1 3 . 1 1 48 48 GLY H H 48 8.016 8.016 7.661 0.355 19288 1101 1 3 . 1 1 49 49 PHE N N 49 125.000 125.000 120.035 4.965 19288 1102 1 3 . 1 1 49 49 PHE HA H 49 4.272 4.272 4.213 0.059 19288 1103 1 3 . 1 1 49 49 PHE C C 49 176.313 176.313 178.342 -2.029 19288 1104 1 3 . 1 1 49 49 PHE CA C 49 59.750 59.750 61.436 -1.686 19288 1105 1 3 . 1 1 49 49 PHE CB C 49 41.278 41.278 38.432 2.846 19288 1106 1 3 . 1 1 49 49 PHE H H 49 8.333 8.333 8.865 -0.532 19288 1107 1 3 . 1 1 50 50 THR N N 50 118.297 118.297 113.403 4.894 19288 1108 1 3 . 1 1 50 50 THR HA H 50 5.150 5.150 4.199 0.951 19288 1109 1 3 . 1 1 50 50 THR C C 50 173.480 173.480 176.964 -3.484 19288 1110 1 3 . 1 1 50 50 THR CA C 50 59.186 59.186 65.282 -6.096 19288 1111 1 3 . 1 1 50 50 THR CB C 50 71.954 71.954 68.369 3.585 19288 1112 1 3 . 1 1 50 50 THR H H 50 7.336 7.336 7.843 -0.507 19288 1113 1 3 . 1 1 51 51 CYS N N 51 115.101 115.101 119.867 -4.766 19288 1114 1 3 . 1 1 51 51 CYS HA H 51 4.540 4.540 3.853 0.687 19288 1115 1 3 . 1 1 51 51 CYS C C 51 173.381 173.381 177.522 -4.141 19288 1116 1 3 . 1 1 51 51 CYS CA C 51 56.305 56.305 63.173 -6.868 19288 1117 1 3 . 1 1 51 51 CYS CB C 51 30.578 30.578 28.049 2.529 19288 1118 1 3 . 1 1 51 51 CYS H H 51 8.318 8.318 8.449 -0.131 19288 1119 1 3 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.370 0.196 19288 1120 1 3 . 1 1 52 52 ARG C C 52 172.494 172.494 177.909 -5.415 19288 1121 1 3 . 1 1 52 52 ARG CA C 52 56.923 56.923 59.556 -2.633 19288 1122 1 3 . 1 1 52 52 ARG CB C 52 31.891 31.891 30.508 1.383 19288 1123 1 3 . 1 1 53 53 GLN N N 53 115.534 115.534 119.640 -4.106 19288 1124 1 3 . 1 1 53 53 GLN HA H 53 4.719 4.719 4.013 0.706 19288 1125 1 3 . 1 1 53 53 GLN CA C 53 54.637 54.637 58.482 -3.845 19288 1126 1 3 . 1 1 53 53 GLN CB C 53 30.904 30.904 28.262 2.642 19288 1127 1 3 . 1 1 53 53 GLN H H 53 7.649 7.649 7.712 -0.063 19288 1128 1 3 . 1 1 54 54 LYS N N 54 127.065 127.065 115.986 11.079 19288 1129 1 3 . 1 1 54 54 LYS HA H 54 3.771 3.771 4.073 -0.302 19288 1130 1 3 . 1 1 54 54 LYS C C 54 176.035 176.035 179.149 -3.114 19288 1131 1 3 . 1 1 54 54 LYS CA C 54 59.833 59.833 58.568 1.265 19288 1132 1 3 . 1 1 54 54 LYS CB C 54 32.087 32.087 32.289 -0.202 19288 1133 1 3 . 1 1 54 54 LYS H H 54 9.132 9.132 7.439 1.693 19288 1134 1 3 . 1 1 55 55 ALA N N 55 120.230 120.230 122.296 -2.066 19288 1135 1 3 . 1 1 55 55 ALA HA H 55 4.135 4.135 4.401 -0.266 19288 1136 1 3 . 1 1 55 55 ALA C C 55 176.728 176.728 179.393 -2.665 19288 1137 1 3 . 1 1 55 55 ALA CA C 55 55.456 55.456 53.867 1.589 19288 1138 1 3 . 1 1 55 55 ALA CB C 55 18.224 18.224 18.743 -0.519 19288 1139 1 3 . 1 1 55 55 ALA H H 55 9.016 9.016 7.173 1.843 19288 1140 1 3 . 1 1 56 56 SER N N 56 112.225 112.225 116.840 -4.615 19288 1141 1 3 . 1 1 56 56 SER HA H 56 4.509 4.509 4.292 0.217 19288 1142 1 3 . 1 1 56 56 SER C C 56 178.309 178.309 174.970 3.339 19288 1143 1 3 . 1 1 56 56 SER CA C 56 61.172 61.172 60.385 0.788 19288 1144 1 3 . 1 1 56 56 SER CB C 56 62.925 62.925 63.086 -0.161 19288 1145 1 3 . 1 1 56 56 SER H H 56 7.097 7.097 7.947 -0.850 19288 1146 1 3 . 1 1 57 57 LEU N N 57 126.317 126.317 119.117 7.200 19288 1147 1 3 . 1 1 57 57 LEU HA H 57 4.327 4.327 4.275 0.052 19288 1148 1 3 . 1 1 57 57 LEU C C 57 180.642 180.642 176.320 4.322 19288 1149 1 3 . 1 1 57 57 LEU CA C 57 58.038 58.038 54.557 3.481 19288 1150 1 3 . 1 1 57 57 LEU CB C 57 41.443 41.443 42.039 -0.596 19288 1151 1 3 . 1 1 57 57 LEU H H 57 7.667 7.667 7.451 0.216 19288 1152 1 3 . 1 1 58 58 ASN N N 58 118.325 118.325 117.626 0.699 19288 1153 1 3 . 1 1 58 58 ASN HA H 58 4.364 4.364 4.558 -0.194 19288 1154 1 3 . 1 1 58 58 ASN C C 58 176.770 176.770 176.613 0.157 19288 1155 1 3 . 1 1 58 58 ASN CA C 58 56.457 56.457 53.746 2.711 19288 1156 1 3 . 1 1 58 58 ASN CB C 58 37.852 37.852 37.604 0.248 19288 1157 1 3 . 1 1 58 58 ASN H H 58 8.533 8.533 7.816 0.717 19288 1158 1 3 . 1 1 59 59 TRP N N 59 119.802 119.802 123.827 -4.025 19288 1159 1 3 . 1 1 59 59 TRP HA H 59 4.349 4.349 4.305 0.044 19288 1160 1 3 . 1 1 59 59 TRP C C 59 178.160 178.160 177.482 0.678 19288 1161 1 3 . 1 1 59 59 TRP CA C 59 60.432 60.432 60.438 -0.006 19288 1162 1 3 . 1 1 59 59 TRP CB C 59 29.304 29.304 29.313 -0.009 19288 1163 1 3 . 1 1 59 59 TRP H H 59 7.914 7.914 8.090 -0.176 19288 1164 1 3 . 1 1 60 60 HIS N N 60 119.175 119.175 116.300 2.875 19288 1165 1 3 . 1 1 60 60 HIS HA H 60 3.675 3.675 4.445 -0.770 19288 1166 1 3 . 1 1 60 60 HIS C C 60 174.721 174.721 174.947 -0.226 19288 1167 1 3 . 1 1 60 60 HIS CA C 60 60.038 60.038 56.764 3.274 19288 1168 1 3 . 1 1 60 60 HIS CB C 60 28.143 28.143 30.456 -2.313 19288 1169 1 3 . 1 1 60 60 HIS H H 60 8.131 8.131 7.650 0.481 19288 1170 1 3 . 1 1 61 61 MET N N 61 114.602 114.602 118.899 -4.297 19288 1171 1 3 . 1 1 61 61 MET HA H 61 4.127 4.127 4.233 -0.106 19288 1172 1 3 . 1 1 61 61 MET C C 61 178.337 178.337 175.762 2.575 19288 1173 1 3 . 1 1 61 61 MET CA C 61 57.177 57.177 55.118 2.059 19288 1174 1 3 . 1 1 61 61 MET CB C 61 30.085 30.085 30.489 -0.404 19288 1175 1 3 . 1 1 61 61 MET H H 61 8.448 8.448 7.985 0.463 19288 1176 1 3 . 1 1 62 62 LYS N N 62 118.858 118.858 121.898 -3.040 19288 1177 1 3 . 1 1 62 62 LYS HA H 62 3.998 3.998 3.823 0.175 19288 1178 1 3 . 1 1 62 62 LYS C C 62 176.716 176.716 175.988 0.728 19288 1179 1 3 . 1 1 62 62 LYS CA C 62 58.512 58.512 57.549 0.963 19288 1180 1 3 . 1 1 62 62 LYS CB C 62 31.694 31.694 33.260 -1.565 19288 1181 1 3 . 1 1 62 62 LYS H H 62 7.285 7.285 8.127 -0.842 19288 1182 1 3 . 1 1 63 63 LYS N N 63 117.683 117.683 115.778 1.905 19288 1183 1 3 . 1 1 63 63 LYS HA H 63 3.793 3.793 4.533 -0.740 19288 1184 1 3 . 1 1 63 63 LYS C C 63 179.150 179.150 174.578 4.572 19288 1185 1 3 . 1 1 63 63 LYS CA C 63 57.827 57.827 54.258 3.569 19288 1186 1 3 . 1 1 63 63 LYS CB C 63 31.272 31.272 36.657 -5.385 19288 1187 1 3 . 1 1 63 63 LYS H H 63 7.516 7.516 7.657 -0.141 19288 1188 1 3 . 1 1 64 64 HIS N N 64 115.200 115.200 118.319 -3.119 19288 1189 1 3 . 1 1 64 64 HIS HA H 64 4.708 4.708 4.733 -0.025 19288 1190 1 3 . 1 1 64 64 HIS C C 64 178.727 178.727 173.445 5.282 19288 1191 1 3 . 1 1 64 64 HIS CA C 64 55.628 55.628 55.464 0.164 19288 1192 1 3 . 1 1 64 64 HIS CB C 64 28.782 28.782 31.773 -2.991 19288 1193 1 3 . 1 1 64 64 HIS H H 64 7.155 7.155 8.465 -1.310 19288 1194 1 3 . 1 1 65 65 ASP N N 65 120.441 120.441 126.084 -5.643 19288 1195 1 3 . 1 1 65 65 ASP HA H 65 4.503 4.503 4.945 -0.442 19288 1196 1 3 . 1 1 65 65 ASP C C 65 177.648 177.648 176.656 0.992 19288 1197 1 3 . 1 1 65 65 ASP CA C 65 55.296 55.296 53.337 1.959 19288 1198 1 3 . 1 1 65 65 ASP CB C 65 41.122 41.122 42.384 -1.262 19288 1199 1 3 . 1 1 65 65 ASP H H 65 7.653 7.653 8.434 -0.781 19288 1200 1 3 . 1 1 66 66 ALA N N 66 123.184 123.184 129.277 -6.093 19288 1201 1 3 . 1 1 66 66 ALA HA H 66 4.141 4.141 4.119 0.022 19288 1202 1 3 . 1 1 66 66 ALA C C 66 175.172 175.172 178.748 -3.576 19288 1203 1 3 . 1 1 66 66 ALA CA C 66 53.693 53.693 54.593 -0.899 19288 1204 1 3 . 1 1 66 66 ALA CB C 66 19.049 19.049 19.127 -0.078 19288 1205 1 3 . 1 1 66 66 ALA H H 66 8.088 8.088 8.569 -0.481 19288 1206 1 3 . 1 1 67 67 ASP N N 67 117.608 117.608 119.555 -1.947 19288 1207 1 3 . 1 1 67 67 ASP HA H 67 4.175 4.175 4.475 -0.300 19288 1208 1 3 . 1 1 67 67 ASP C C 67 176.687 176.687 176.128 0.559 19288 1209 1 3 . 1 1 67 67 ASP CA C 67 54.842 54.842 55.324 -0.482 19288 1210 1 3 . 1 1 67 67 ASP CB C 67 40.957 40.957 41.315 -0.358 19288 1211 1 3 . 1 1 67 67 ASP H H 67 7.999 7.999 8.208 -0.209 19288 1212 1 3 . 1 1 68 68 SER N N 68 114.794 114.794 111.875 2.919 19288 1213 1 3 . 1 1 68 68 SER HA H 68 4.145 4.145 4.775 -0.630 19288 1214 1 3 . 1 1 68 68 SER C C 68 178.056 178.056 174.150 3.906 19288 1215 1 3 . 1 1 68 68 SER CA C 68 59.397 59.397 56.633 2.764 19288 1216 1 3 . 1 1 68 68 SER CB C 68 63.682 63.682 65.101 -1.419 19288 1217 1 3 . 1 1 68 68 SER H H 68 7.797 7.797 7.770 0.027 19288 1218 1 3 . 1 1 69 69 PHE N N 69 120.277 120.277 120.876 -0.599 19288 1219 1 3 . 1 1 69 69 PHE HA H 69 4.474 4.474 4.407 0.067 19288 1220 1 3 . 1 1 69 69 PHE C C 69 176.959 176.959 175.573 1.386 19288 1221 1 3 . 1 1 69 69 PHE CA C 69 58.048 58.048 58.456 -0.408 19288 1222 1 3 . 1 1 69 69 PHE H H 69 7.850 7.850 8.607 -0.757 19288 1223 1 3 . 1 1 70 70 TYR N N 70 121.023 121.023 122.282 -1.259 19288 1224 1 3 . 1 1 70 70 TYR HA H 70 4.494 4.494 4.106 0.388 19288 1225 1 3 . 1 1 70 70 TYR C C 70 174.330 174.330 175.507 -1.177 19288 1226 1 3 . 1 1 70 70 TYR CA C 70 56.491 56.491 57.773 -1.282 19288 1227 1 3 . 1 1 70 70 TYR CB C 70 37.727 37.727 37.848 -0.121 19288 1228 1 3 . 1 1 70 70 TYR H H 70 7.818 7.818 7.562 0.256 19288 1229 1 3 . 1 1 71 71 GLN N N 71 119.046 119.046 119.745 -0.699 19288 1230 1 3 . 1 1 71 71 GLN HA H 71 4.085 4.085 4.064 0.021 19288 1231 1 3 . 1 1 71 71 GLN C C 71 175.830 175.830 174.604 1.226 19288 1232 1 3 . 1 1 71 71 GLN CA C 71 56.485 56.485 56.450 0.035 19288 1233 1 3 . 1 1 71 71 GLN CB C 71 30.291 30.291 26.007 4.284 19288 1234 1 3 . 1 1 71 71 GLN H H 71 8.352 8.352 7.777 0.575 19288 1235 1 3 . 1 1 72 72 PHE N N 72 117.779 117.779 121.115 -3.336 19288 1236 1 3 . 1 1 72 72 PHE HA H 72 4.850 4.850 4.746 0.104 19288 1237 1 3 . 1 1 72 72 PHE C C 72 176.323 176.323 176.304 0.019 19288 1238 1 3 . 1 1 72 72 PHE CA C 72 57.157 57.157 56.638 0.519 19288 1239 1 3 . 1 1 72 72 PHE CB C 72 41.106 41.106 43.048 -1.942 19288 1240 1 3 . 1 1 72 72 PHE H H 72 7.901 7.901 7.956 -0.055 19288 1241 1 3 . 1 1 73 73 SER N N 73 114.707 114.707 117.897 -3.190 19288 1242 1 3 . 1 1 73 73 SER HA H 73 5.469 5.469 4.038 1.431 19288 1243 1 3 . 1 1 73 73 SER C C 73 175.151 175.151 173.814 1.337 19288 1244 1 3 . 1 1 73 73 SER CA C 73 57.026 57.026 59.837 -2.811 19288 1245 1 3 . 1 1 73 73 SER CB C 73 65.963 65.963 63.487 2.476 19288 1246 1 3 . 1 1 73 73 SER H H 73 8.744 8.744 8.752 -0.008 19288 1247 1 3 . 1 1 74 74 CYS N N 74 124.143 124.143 115.291 8.852 19288 1248 1 3 . 1 1 74 74 CYS HA H 74 4.391 4.391 4.777 -0.386 19288 1249 1 3 . 1 1 74 74 CYS C C 74 174.848 174.848 174.917 -0.069 19288 1250 1 3 . 1 1 74 74 CYS CA C 74 59.743 59.743 57.604 2.139 19288 1251 1 3 . 1 1 74 74 CYS CB C 74 30.581 30.581 29.790 0.791 19288 1252 1 3 . 1 1 74 74 CYS H H 74 9.154 9.154 7.529 1.625 19288 1253 1 3 . 1 1 75 75 ASN HA H 75 4.501 4.501 4.333 0.168 19288 1254 1 3 . 1 1 75 75 ASN C C 75 173.664 173.664 177.275 -3.611 19288 1255 1 3 . 1 1 75 75 ASN CA C 75 55.316 55.316 56.267 -0.951 19288 1256 1 3 . 1 1 75 75 ASN CB C 75 36.774 36.774 38.335 -1.561 19288 1257 1 3 . 1 1 76 76 ILE N N 76 123.143 123.143 119.950 3.193 19288 1258 1 3 . 1 1 76 76 ILE HA H 76 3.908 3.908 3.930 -0.022 19288 1259 1 3 . 1 1 76 76 ILE CA C 76 63.223 63.223 64.737 -1.514 19288 1260 1 3 . 1 1 76 76 ILE CB C 76 38.269 38.269 37.620 0.649 19288 1261 1 3 . 1 1 76 76 ILE H H 76 8.921 8.921 8.286 0.635 19288 1262 1 3 . 1 1 77 77 CYS N N 77 116.298 116.298 118.397 -2.099 19288 1263 1 3 . 1 1 77 77 CYS HA H 77 5.159 5.159 3.916 1.243 19288 1264 1 3 . 1 1 77 77 CYS C C 77 174.401 174.401 176.787 -2.386 19288 1265 1 3 . 1 1 77 77 CYS CA C 77 58.394 58.394 62.156 -3.762 19288 1266 1 3 . 1 1 77 77 CYS CB C 77 32.743 32.743 27.021 5.722 19288 1267 1 3 . 1 1 77 77 CYS H H 77 8.243 8.243 8.216 0.027 19288 1268 1 3 . 1 1 78 78 GLY N N 78 113.607 113.607 111.234 2.373 19288 1269 1 3 . 1 1 78 78 GLY C C 78 176.862 176.862 176.060 0.802 19288 1270 1 3 . 1 1 78 78 GLY CA C 78 46.321 46.321 47.736 -1.415 19288 1271 1 3 . 1 1 78 78 GLY H H 78 8.060 8.060 7.228 0.832 19288 1272 1 3 . 1 1 79 79 LYS N N 79 123.134 123.134 120.869 2.265 19288 1273 1 3 . 1 1 79 79 LYS HA H 79 3.950 3.950 3.662 0.288 19288 1274 1 3 . 1 1 79 79 LYS C C 79 176.484 176.484 177.973 -1.489 19288 1275 1 3 . 1 1 79 79 LYS CA C 79 58.342 58.342 60.662 -2.320 19288 1276 1 3 . 1 1 79 79 LYS CB C 79 33.770 33.770 32.075 1.695 19288 1277 1 3 . 1 1 79 79 LYS H H 79 7.977 7.977 7.986 -0.009 19288 1278 1 3 . 1 1 80 80 LYS N N 80 121.440 121.440 119.042 2.398 19288 1279 1 3 . 1 1 80 80 LYS HA H 80 4.884 4.884 3.868 1.016 19288 1280 1 3 . 1 1 80 80 LYS C C 80 173.961 173.961 177.962 -4.001 19288 1281 1 3 . 1 1 80 80 LYS CA C 80 55.524 55.524 59.468 -3.944 19288 1282 1 3 . 1 1 80 80 LYS CB C 80 35.024 35.024 31.265 3.759 19288 1283 1 3 . 1 1 80 80 LYS H H 80 7.918 7.918 8.031 -0.113 19288 1284 1 3 . 1 1 81 81 PHE N N 81 116.724 116.724 119.694 -2.970 19288 1285 1 3 . 1 1 81 81 PHE HA H 81 4.598 4.598 4.120 0.478 19288 1286 1 3 . 1 1 81 81 PHE C C 81 174.541 174.541 177.880 -3.339 19288 1287 1 3 . 1 1 81 81 PHE CA C 81 57.359 57.359 62.009 -4.650 19288 1288 1 3 . 1 1 81 81 PHE CB C 81 44.738 44.738 39.139 5.599 19288 1289 1 3 . 1 1 81 81 PHE H H 81 8.725 8.725 7.722 1.003 19288 1290 1 3 . 1 1 82 82 GLU N N 82 120.474 120.474 119.211 1.263 19288 1291 1 3 . 1 1 82 82 GLU HA H 82 4.155 4.155 4.275 -0.120 19288 1292 1 3 . 1 1 82 82 GLU C C 82 175.832 175.832 178.940 -3.108 19288 1293 1 3 . 1 1 82 82 GLU CA C 82 57.900 57.900 59.432 -1.532 19288 1294 1 3 . 1 1 82 82 GLU CB C 82 30.829 30.829 29.726 1.103 19288 1295 1 3 . 1 1 82 82 GLU H H 82 8.775 8.775 8.072 0.703 19288 1296 1 3 . 1 1 83 83 LYS N N 83 114.607 114.607 119.975 -5.368 19288 1297 1 3 . 1 1 83 83 LYS HA H 83 4.607 4.607 4.108 0.499 19288 1298 1 3 . 1 1 83 83 LYS C C 83 174.585 174.585 178.143 -3.558 19288 1299 1 3 . 1 1 83 83 LYS CA C 83 54.369 54.369 58.900 -4.531 19288 1300 1 3 . 1 1 83 83 LYS CB C 83 35.540 35.540 32.047 3.493 19288 1301 1 3 . 1 1 83 83 LYS H H 83 7.547 7.547 8.107 -0.560 19288 1302 1 3 . 1 1 84 84 LYS N N 84 124.921 124.921 118.220 6.701 19288 1303 1 3 . 1 1 84 84 LYS HA H 84 3.073 3.073 4.026 -0.953 19288 1304 1 3 . 1 1 84 84 LYS C C 84 176.545 176.545 178.643 -2.098 19288 1305 1 3 . 1 1 84 84 LYS CA C 84 59.680 59.680 58.488 1.192 19288 1306 1 3 . 1 1 84 84 LYS CB C 84 31.920 31.920 32.766 -0.845 19288 1307 1 3 . 1 1 84 84 LYS H H 84 8.162 8.162 7.866 0.296 19288 1308 1 3 . 1 1 85 85 ASP N N 85 116.468 116.468 116.984 -0.516 19288 1309 1 3 . 1 1 85 85 ASP HA H 85 4.192 4.192 4.348 -0.156 19288 1310 1 3 . 1 1 85 85 ASP C C 85 176.385 176.385 175.630 0.755 19288 1311 1 3 . 1 1 85 85 ASP CA C 85 56.789 56.789 55.479 1.310 19288 1312 1 3 . 1 1 85 85 ASP CB C 85 39.780 39.780 41.453 -1.673 19288 1313 1 3 . 1 1 85 85 ASP H H 85 8.682 8.682 8.061 0.621 19288 1314 1 3 . 1 1 86 86 SER N N 86 114.601 114.601 115.452 -0.851 19288 1315 1 3 . 1 1 86 86 SER HA H 86 4.183 4.183 4.944 -0.761 19288 1316 1 3 . 1 1 86 86 SER C C 86 179.169 179.169 171.919 7.250 19288 1317 1 3 . 1 1 86 86 SER CA C 86 60.939 60.939 54.961 5.978 19288 1318 1 3 . 1 1 86 86 SER CB C 86 62.823 62.823 63.495 -0.672 19288 1319 1 3 . 1 1 86 86 SER H H 86 7.200 7.200 7.788 -0.588 19288 1320 1 3 . 1 1 87 87 VAL HA H 87 2.698 2.698 4.386 -1.688 19288 1321 1 3 . 1 1 87 87 VAL C C 87 178.806 178.806 175.078 3.728 19288 1322 1 3 . 1 1 87 87 VAL CA C 87 66.028 66.028 61.340 4.688 19288 1323 1 3 . 1 1 87 87 VAL CB C 87 31.461 31.461 30.654 0.807 19288 1324 1 3 . 1 1 88 88 VAL N N 88 120.424 120.424 122.598 -2.174 19288 1325 1 3 . 1 1 88 88 VAL HA H 88 3.485 3.485 4.072 -0.587 19288 1326 1 3 . 1 1 88 88 VAL C C 88 176.208 176.208 176.021 0.187 19288 1327 1 3 . 1 1 88 88 VAL CA C 88 66.735 66.735 62.589 4.146 19288 1328 1 3 . 1 1 88 88 VAL CB C 88 31.948 31.948 30.531 1.417 19288 1329 1 3 . 1 1 88 88 VAL H H 88 7.190 7.190 7.762 -0.572 19288 1330 1 4 . 1 1 10 10 HIS HA H 10 4.620 4.620 4.923 -0.303 19288 1331 1 4 . 1 1 10 10 HIS CA C 10 56.302 56.302 54.366 1.936 19288 1332 1 4 . 1 1 10 10 HIS CB C 10 30.312 30.312 31.654 -1.342 19288 1333 1 4 . 1 1 11 11 MET N N 11 121.464 121.464 124.233 -2.769 19288 1334 1 4 . 1 1 11 11 MET HA H 11 4.387 4.387 4.544 -0.157 19288 1335 1 4 . 1 1 11 11 MET CA C 11 55.835 55.835 55.526 0.309 19288 1336 1 4 . 1 1 11 11 MET CB C 11 32.794 32.794 33.862 -1.068 19288 1337 1 4 . 1 1 11 11 MET H H 11 8.178 8.178 8.193 -0.015 19288 1338 1 4 . 1 1 12 12 ARG N N 12 121.614 121.614 119.941 1.673 19288 1339 1 4 . 1 1 12 12 ARG HA H 12 4.244 4.244 4.666 -0.422 19288 1340 1 4 . 1 1 12 12 ARG CA C 12 55.802 55.802 56.241 -0.439 19288 1341 1 4 . 1 1 12 12 ARG CB C 12 31.110 31.110 31.298 -0.188 19288 1342 1 4 . 1 1 12 12 ARG H H 12 8.209 8.209 8.701 -0.492 19288 1343 1 4 . 1 1 13 13 ASP N N 13 119.634 119.634 119.472 0.162 19288 1344 1 4 . 1 1 13 13 ASP HA H 13 4.667 4.667 4.813 -0.146 19288 1345 1 4 . 1 1 13 13 ASP C C 13 175.723 175.723 173.926 1.797 19288 1346 1 4 . 1 1 13 13 ASP CA C 13 54.112 54.112 53.626 0.486 19288 1347 1 4 . 1 1 13 13 ASP CB C 13 42.459 42.459 42.190 0.269 19288 1348 1 4 . 1 1 13 13 ASP H H 13 7.858 7.858 7.484 0.374 19288 1349 1 4 . 1 1 14 14 TYR N N 14 120.932 120.932 119.409 1.523 19288 1350 1 4 . 1 1 14 14 TYR HA H 14 4.534 4.534 4.787 -0.253 19288 1351 1 4 . 1 1 14 14 TYR C C 14 174.767 174.767 176.500 -1.733 19288 1352 1 4 . 1 1 14 14 TYR CA C 14 57.521 57.521 57.611 -0.090 19288 1353 1 4 . 1 1 14 14 TYR CB C 14 38.608 38.608 42.136 -3.528 19288 1354 1 4 . 1 1 14 14 TYR H H 14 8.676 8.676 8.681 -0.005 19288 1355 1 4 . 1 1 15 15 ILE N N 15 124.585 124.585 121.757 2.828 19288 1356 1 4 . 1 1 15 15 ILE HA H 15 4.714 4.714 4.339 0.375 19288 1357 1 4 . 1 1 15 15 ILE C C 15 175.178 175.178 174.790 0.388 19288 1358 1 4 . 1 1 15 15 ILE CA C 15 59.647 59.647 61.754 -2.107 19288 1359 1 4 . 1 1 15 15 ILE CB C 15 39.969 39.969 39.083 0.886 19288 1360 1 4 . 1 1 15 15 ILE H H 15 8.479 8.479 8.762 -0.283 19288 1361 1 4 . 1 1 16 16 CYS N N 16 129.411 129.411 116.636 12.775 19288 1362 1 4 . 1 1 16 16 CYS HA H 16 4.334 4.334 4.685 -0.351 19288 1363 1 4 . 1 1 16 16 CYS C C 16 174.675 174.675 174.537 0.138 19288 1364 1 4 . 1 1 16 16 CYS CA C 16 61.303 61.303 58.233 3.070 19288 1365 1 4 . 1 1 16 16 CYS CB C 16 30.233 30.233 30.694 -0.461 19288 1366 1 4 . 1 1 16 16 CYS H H 16 9.141 9.141 7.782 1.359 19288 1367 1 4 . 1 1 17 17 GLU N N 17 133.830 133.830 124.319 9.511 19288 1368 1 4 . 1 1 17 17 GLU HA H 17 4.200 4.200 3.293 0.907 19288 1369 1 4 . 1 1 17 17 GLU C C 17 175.826 175.826 177.898 -2.072 19288 1370 1 4 . 1 1 17 17 GLU CA C 17 58.616 58.616 58.160 0.456 19288 1371 1 4 . 1 1 17 17 GLU CB C 17 28.133 28.133 29.517 -1.384 19288 1372 1 4 . 1 1 17 17 GLU H H 17 10.744 10.744 8.718 2.026 19288 1373 1 4 . 1 1 18 18 TYR N N 18 121.850 121.850 120.872 0.978 19288 1374 1 4 . 1 1 18 18 TYR HA H 18 4.316 4.316 4.301 0.015 19288 1375 1 4 . 1 1 18 18 TYR C C 18 176.782 176.782 177.799 -1.017 19288 1376 1 4 . 1 1 18 18 TYR CA C 18 60.371 60.371 61.577 -1.206 19288 1377 1 4 . 1 1 18 18 TYR CB C 18 37.374 37.374 38.220 -0.846 19288 1378 1 4 . 1 1 18 18 TYR H H 18 9.190 9.190 8.471 0.719 19288 1379 1 4 . 1 1 19 19 CYS N N 19 116.138 116.138 118.070 -1.932 19288 1380 1 4 . 1 1 19 19 CYS HA H 19 5.111 5.111 4.132 0.979 19288 1381 1 4 . 1 1 19 19 CYS C C 19 176.019 176.019 176.911 -0.892 19288 1382 1 4 . 1 1 19 19 CYS CA C 19 58.721 58.721 62.283 -3.562 19288 1383 1 4 . 1 1 19 19 CYS CB C 19 32.573 32.573 27.527 5.046 19288 1384 1 4 . 1 1 19 19 CYS H H 19 7.999 7.999 8.286 -0.287 19288 1385 1 4 . 1 1 20 20 ALA N N 20 122.058 122.058 121.201 0.857 19288 1386 1 4 . 1 1 20 20 ALA HA H 20 4.140 4.140 3.477 0.663 19288 1387 1 4 . 1 1 20 20 ALA C C 20 177.014 177.014 178.317 -1.303 19288 1388 1 4 . 1 1 20 20 ALA CA C 20 54.584 54.584 54.496 0.088 19288 1389 1 4 . 1 1 20 20 ALA CB C 20 17.127 17.127 18.598 -1.471 19288 1390 1 4 . 1 1 20 20 ALA H H 20 8.067 8.067 7.052 1.015 19288 1391 1 4 . 1 1 21 21 ARG N N 21 121.286 121.286 119.580 1.706 19288 1392 1 4 . 1 1 21 21 ARG HA H 21 4.003 4.003 3.924 0.079 19288 1393 1 4 . 1 1 21 21 ARG C C 21 175.133 175.133 178.538 -3.405 19288 1394 1 4 . 1 1 21 21 ARG CA C 21 58.236 58.236 58.992 -0.756 19288 1395 1 4 . 1 1 21 21 ARG CB C 21 31.677 31.677 29.391 2.286 19288 1396 1 4 . 1 1 21 21 ARG H H 21 7.947 7.947 7.616 0.331 19288 1397 1 4 . 1 1 22 22 ALA N N 22 123.966 123.966 121.142 2.824 19288 1398 1 4 . 1 1 22 22 ALA HA H 22 5.008 5.008 3.663 1.345 19288 1399 1 4 . 1 1 22 22 ALA C C 22 175.750 175.750 178.852 -3.102 19288 1400 1 4 . 1 1 22 22 ALA CA C 22 50.811 50.811 56.178 -5.367 19288 1401 1 4 . 1 1 22 22 ALA CB C 22 21.928 21.928 18.785 3.143 19288 1402 1 4 . 1 1 22 22 ALA H H 22 7.968 7.968 7.457 0.511 19288 1403 1 4 . 1 1 23 23 PHE N N 23 118.728 118.728 120.048 -1.320 19288 1404 1 4 . 1 1 23 23 PHE HA H 23 4.678 4.678 4.143 0.535 19288 1405 1 4 . 1 1 23 23 PHE C C 23 173.852 173.852 177.210 -3.358 19288 1406 1 4 . 1 1 23 23 PHE CA C 23 57.367 57.367 61.725 -4.359 19288 1407 1 4 . 1 1 23 23 PHE CB C 23 43.458 43.458 39.202 4.256 19288 1408 1 4 . 1 1 23 23 PHE H H 23 9.004 9.004 7.659 1.345 19288 1409 1 4 . 1 1 24 24 LYS N N 24 119.176 119.176 115.790 3.386 19288 1410 1 4 . 1 1 24 24 LYS HA H 24 4.709 4.709 4.309 0.400 19288 1411 1 4 . 1 1 24 24 LYS C C 24 176.934 176.934 177.845 -0.911 19288 1412 1 4 . 1 1 24 24 LYS CA C 24 56.482 56.482 58.393 -1.911 19288 1413 1 4 . 1 1 24 24 LYS CB C 24 33.111 33.111 32.327 0.784 19288 1414 1 4 . 1 1 24 24 LYS H H 24 9.211 9.211 8.257 0.954 19288 1415 1 4 . 1 1 25 25 SER N N 25 110.950 110.950 116.184 -5.234 19288 1416 1 4 . 1 1 25 25 SER HA H 25 4.566 4.566 4.255 0.311 19288 1417 1 4 . 1 1 25 25 SER C C 25 175.671 175.671 176.174 -0.503 19288 1418 1 4 . 1 1 25 25 SER CA C 25 55.683 55.683 61.311 -5.628 19288 1419 1 4 . 1 1 25 25 SER CB C 25 66.490 66.490 63.720 2.770 19288 1420 1 4 . 1 1 25 25 SER H H 25 7.474 7.474 7.417 0.057 19288 1421 1 4 . 1 1 26 26 SER N N 26 119.411 119.411 112.354 7.057 19288 1422 1 4 . 1 1 26 26 SER C C 26 176.269 176.269 176.165 0.104 19288 1423 1 4 . 1 1 26 26 SER CA C 26 60.616 60.616 60.735 -0.119 19288 1424 1 4 . 1 1 26 26 SER CB C 26 61.758 61.758 61.482 0.276 19288 1425 1 4 . 1 1 26 26 SER H H 26 8.487 8.487 7.651 0.836 19288 1426 1 4 . 1 1 27 27 HIS HA H 27 4.258 4.258 4.323 -0.065 19288 1427 1 4 . 1 1 27 27 HIS C C 27 173.658 173.658 176.665 -3.007 19288 1428 1 4 . 1 1 27 27 HIS CA C 27 59.581 59.581 57.979 1.602 19288 1429 1 4 . 1 1 27 27 HIS CB C 27 29.913 29.913 29.676 0.237 19288 1430 1 4 . 1 1 28 28 ASN N N 28 117.126 117.126 116.242 0.884 19288 1431 1 4 . 1 1 28 28 ASN HA H 28 4.216 4.216 4.618 -0.402 19288 1432 1 4 . 1 1 28 28 ASN CA C 28 55.547 55.547 54.343 1.204 19288 1433 1 4 . 1 1 28 28 ASN CB C 28 37.634 37.634 38.720 -1.086 19288 1434 1 4 . 1 1 28 28 ASN H H 28 7.681 7.681 7.394 0.287 19288 1435 1 4 . 1 1 29 29 LEU N N 29 121.121 121.121 123.727 -2.606 19288 1436 1 4 . 1 1 29 29 LEU HA H 29 3.177 3.177 3.843 -0.666 19288 1437 1 4 . 1 1 29 29 LEU C C 29 176.205 176.205 176.031 0.174 19288 1438 1 4 . 1 1 29 29 LEU CA C 29 57.893 57.893 55.016 2.877 19288 1439 1 4 . 1 1 29 29 LEU H H 29 7.300 7.300 7.974 -0.674 19288 1440 1 4 . 1 1 30 30 ALA N N 30 122.058 122.058 124.139 -2.081 19288 1441 1 4 . 1 1 30 30 ALA HA H 30 3.917 3.917 4.323 -0.406 19288 1442 1 4 . 1 1 30 30 ALA C C 30 178.363 178.363 176.485 1.878 19288 1443 1 4 . 1 1 30 30 ALA CA C 30 55.487 55.487 51.487 4.000 19288 1444 1 4 . 1 1 30 30 ALA CB C 30 17.947 17.947 18.486 -0.539 19288 1445 1 4 . 1 1 30 30 ALA H H 30 7.987 7.987 7.560 0.427 19288 1446 1 4 . 1 1 31 31 VAL N N 31 116.442 116.442 118.465 -2.023 19288 1447 1 4 . 1 1 31 31 VAL HA H 31 3.556 3.556 4.536 -0.980 19288 1448 1 4 . 1 1 31 31 VAL C C 31 176.352 176.352 173.761 2.591 19288 1449 1 4 . 1 1 31 31 VAL CA C 31 65.936 65.936 61.661 4.275 19288 1450 1 4 . 1 1 31 31 VAL CB C 31 32.281 32.281 30.634 1.647 19288 1451 1 4 . 1 1 31 31 VAL H H 31 7.636 7.636 7.678 -0.042 19288 1452 1 4 . 1 1 32 32 HIS HA H 32 4.125 4.125 4.369 -0.244 19288 1453 1 4 . 1 1 32 32 HIS C C 32 180.696 180.696 174.959 5.737 19288 1454 1 4 . 1 1 32 32 HIS CA C 32 59.377 59.377 57.017 2.360 19288 1455 1 4 . 1 1 32 32 HIS CB C 32 28.332 28.332 30.005 -1.673 19288 1456 1 4 . 1 1 33 33 ARG N N 33 115.795 115.795 120.029 -4.234 19288 1457 1 4 . 1 1 33 33 ARG HA H 33 3.658 3.658 4.656 -0.998 19288 1458 1 4 . 1 1 33 33 ARG C C 33 178.735 178.735 174.159 4.576 19288 1459 1 4 . 1 1 33 33 ARG CA C 33 60.012 60.012 55.277 4.735 19288 1460 1 4 . 1 1 33 33 ARG CB C 33 31.144 31.144 29.458 1.686 19288 1461 1 4 . 1 1 33 33 ARG H H 33 8.633 8.633 8.085 0.548 19288 1462 1 4 . 1 1 34 34 MET N N 34 115.672 115.672 121.896 -6.224 19288 1463 1 4 . 1 1 34 34 MET HA H 34 4.211 4.211 5.122 -0.911 19288 1464 1 4 . 1 1 34 34 MET C C 34 176.427 176.427 175.361 1.066 19288 1465 1 4 . 1 1 34 34 MET CA C 34 57.866 57.866 53.719 4.147 19288 1466 1 4 . 1 1 34 34 MET CB C 34 32.221 32.221 36.327 -4.106 19288 1467 1 4 . 1 1 34 34 MET H H 34 7.057 7.057 8.302 -1.245 19288 1468 1 4 . 1 1 35 35 ILE N N 35 116.381 116.381 128.041 -11.660 19288 1469 1 4 . 1 1 35 35 ILE HA H 35 3.904 3.904 4.463 -0.559 19288 1470 1 4 . 1 1 35 35 ILE C C 35 177.504 177.504 174.952 2.552 19288 1471 1 4 . 1 1 35 35 ILE CA C 35 63.402 63.402 60.612 2.790 19288 1472 1 4 . 1 1 35 35 ILE CB C 35 37.724 37.724 38.040 -0.316 19288 1473 1 4 . 1 1 35 35 ILE H H 35 7.811 7.811 8.974 -1.163 19288 1474 1 4 . 1 1 36 36 HIS N N 36 117.423 117.423 127.217 -9.794 19288 1475 1 4 . 1 1 36 36 HIS HA H 36 4.481 4.481 4.701 -0.220 19288 1476 1 4 . 1 1 36 36 HIS C C 36 178.413 178.413 173.707 4.706 19288 1477 1 4 . 1 1 36 36 HIS CA C 36 55.260 55.260 55.864 -0.605 19288 1478 1 4 . 1 1 36 36 HIS CB C 36 28.066 28.066 29.945 -1.879 19288 1479 1 4 . 1 1 36 36 HIS H H 36 7.247 7.247 8.881 -1.634 19288 1480 1 4 . 1 1 37 37 THR N N 37 110.804 110.804 114.824 -4.020 19288 1481 1 4 . 1 1 37 37 THR HA H 37 4.160 4.160 4.012 0.148 19288 1482 1 4 . 1 1 37 37 THR C C 37 177.179 177.179 173.975 3.204 19288 1483 1 4 . 1 1 37 37 THR CA C 37 62.791 62.791 62.409 0.382 19288 1484 1 4 . 1 1 37 37 THR CB C 37 69.712 69.712 71.481 -1.769 19288 1485 1 4 . 1 1 37 37 THR H H 37 7.553 7.553 8.035 -0.482 19288 1486 1 4 . 1 1 38 38 GLY N N 38 110.842 110.842 109.849 0.993 19288 1487 1 4 . 1 1 38 38 GLY C C 38 175.821 175.821 174.561 1.260 19288 1488 1 4 . 1 1 38 38 GLY CA C 38 45.403 45.403 42.794 2.609 19288 1489 1 4 . 1 1 38 38 GLY H H 38 8.195 8.195 7.480 0.715 19288 1490 1 4 . 1 1 39 39 GLU N N 39 120.441 120.441 124.108 -3.667 19288 1491 1 4 . 1 1 39 39 GLU HA H 39 4.238 4.238 4.176 0.062 19288 1492 1 4 . 1 1 39 39 GLU C C 39 175.390 175.390 175.523 -0.133 19288 1493 1 4 . 1 1 39 39 GLU CA C 39 56.572 56.572 57.975 -1.403 19288 1494 1 4 . 1 1 39 39 GLU H H 39 7.953 7.953 8.732 -0.779 19288 1495 1 4 . 1 1 40 40 LYS N N 40 123.624 123.624 127.422 -3.798 19288 1496 1 4 . 1 1 40 40 LYS HA H 40 4.534 4.534 4.571 -0.037 19288 1497 1 4 . 1 1 40 40 LYS C C 40 174.124 174.124 174.230 -0.106 19288 1498 1 4 . 1 1 40 40 LYS CA C 40 54.236 54.236 54.803 -0.567 19288 1499 1 4 . 1 1 40 40 LYS CB C 40 32.769 32.769 35.771 -3.002 19288 1500 1 4 . 1 1 40 40 LYS H H 40 8.321 8.321 7.942 0.379 19288 1501 1 4 . 1 1 41 41 PRO HA H 41 4.404 4.404 4.897 -0.493 19288 1502 1 4 . 1 1 41 41 PRO C C 41 176.103 176.103 175.379 0.724 19288 1503 1 4 . 1 1 41 41 PRO CA C 41 63.174 63.174 62.514 0.660 19288 1504 1 4 . 1 1 41 41 PRO CB C 41 32.306 32.306 32.792 -0.486 19288 1505 1 4 . 1 1 42 42 LEU N N 42 122.177 122.177 127.914 -5.737 19288 1506 1 4 . 1 1 42 42 LEU HA H 42 4.381 4.381 4.452 -0.071 19288 1507 1 4 . 1 1 42 42 LEU CA C 42 54.626 54.626 52.423 2.203 19288 1508 1 4 . 1 1 42 42 LEU CB C 42 42.719 42.719 44.027 -1.308 19288 1509 1 4 . 1 1 42 42 LEU H H 42 8.293 8.293 8.213 0.080 19288 1510 1 4 . 1 1 43 43 GLN N N 43 119.188 119.188 122.296 -3.108 19288 1511 1 4 . 1 1 43 43 GLN HA H 43 5.181 5.181 4.196 0.985 19288 1512 1 4 . 1 1 43 43 GLN C C 43 176.325 176.325 175.305 1.020 19288 1513 1 4 . 1 1 43 43 GLN CA C 43 53.898 53.898 56.282 -2.384 19288 1514 1 4 . 1 1 43 43 GLN CB C 43 32.969 32.969 27.857 5.112 19288 1515 1 4 . 1 1 43 43 GLN H H 43 8.180 8.180 8.400 -0.220 19288 1516 1 4 . 1 1 44 44 CYS N N 44 127.346 127.346 117.999 9.347 19288 1517 1 4 . 1 1 44 44 CYS HA H 44 4.453 4.453 4.771 -0.318 19288 1518 1 4 . 1 1 44 44 CYS C C 44 175.677 175.677 175.083 0.594 19288 1519 1 4 . 1 1 44 44 CYS CA C 44 59.437 59.437 57.655 1.782 19288 1520 1 4 . 1 1 44 44 CYS CB C 44 30.721 30.721 30.515 0.206 19288 1521 1 4 . 1 1 44 44 CYS H H 44 9.299 9.299 7.336 1.963 19288 1522 1 4 . 1 1 45 45 GLU N N 45 131.846 131.846 123.992 7.854 19288 1523 1 4 . 1 1 45 45 GLU HA H 45 4.178 4.178 4.033 0.145 19288 1524 1 4 . 1 1 45 45 GLU C C 45 174.655 174.655 177.544 -2.889 19288 1525 1 4 . 1 1 45 45 GLU CA C 45 58.342 58.342 58.979 -0.637 19288 1526 1 4 . 1 1 45 45 GLU CB C 45 29.819 29.819 28.850 0.969 19288 1527 1 4 . 1 1 45 45 GLU H H 45 9.602 9.602 9.064 0.538 19288 1528 1 4 . 1 1 46 46 ILE N N 46 121.898 121.898 118.876 3.022 19288 1529 1 4 . 1 1 46 46 ILE HA H 46 3.840 3.840 4.184 -0.344 19288 1530 1 4 . 1 1 46 46 ILE C C 46 177.404 177.404 177.753 -0.349 19288 1531 1 4 . 1 1 46 46 ILE CA C 46 63.494 63.494 63.786 -0.292 19288 1532 1 4 . 1 1 46 46 ILE CB C 46 38.461 38.461 36.980 1.482 19288 1533 1 4 . 1 1 46 46 ILE H H 46 8.973 8.973 8.467 0.506 19288 1534 1 4 . 1 1 47 47 CYS N N 47 117.274 117.274 117.955 -0.681 19288 1535 1 4 . 1 1 47 47 CYS HA H 47 5.231 5.231 4.581 0.650 19288 1536 1 4 . 1 1 47 47 CYS C C 47 176.087 176.087 176.684 -0.597 19288 1537 1 4 . 1 1 47 47 CYS CA C 47 58.455 58.455 61.848 -3.393 19288 1538 1 4 . 1 1 47 47 CYS CB C 47 33.590 33.590 28.136 5.454 19288 1539 1 4 . 1 1 47 47 CYS H H 47 8.432 8.432 7.528 0.904 19288 1540 1 4 . 1 1 48 48 GLY N N 48 112.655 112.655 111.016 1.639 19288 1541 1 4 . 1 1 48 48 GLY C C 48 177.177 177.177 176.714 0.463 19288 1542 1 4 . 1 1 48 48 GLY CA C 48 46.253 46.253 48.696 -2.443 19288 1543 1 4 . 1 1 48 48 GLY H H 48 8.016 8.016 7.684 0.332 19288 1544 1 4 . 1 1 49 49 PHE N N 49 125.000 125.000 118.729 6.271 19288 1545 1 4 . 1 1 49 49 PHE HA H 49 4.272 4.272 4.048 0.224 19288 1546 1 4 . 1 1 49 49 PHE C C 49 176.313 176.313 178.069 -1.756 19288 1547 1 4 . 1 1 49 49 PHE CA C 49 59.750 59.750 61.490 -1.740 19288 1548 1 4 . 1 1 49 49 PHE CB C 49 41.278 41.278 38.557 2.721 19288 1549 1 4 . 1 1 49 49 PHE H H 49 8.333 8.333 7.987 0.346 19288 1550 1 4 . 1 1 50 50 THR N N 50 118.297 118.297 112.438 5.859 19288 1551 1 4 . 1 1 50 50 THR HA H 50 5.150 5.150 4.235 0.915 19288 1552 1 4 . 1 1 50 50 THR C C 50 173.480 173.480 176.702 -3.222 19288 1553 1 4 . 1 1 50 50 THR CA C 50 59.186 59.186 63.886 -4.700 19288 1554 1 4 . 1 1 50 50 THR CB C 50 71.954 71.954 68.523 3.431 19288 1555 1 4 . 1 1 50 50 THR H H 50 7.336 7.336 7.313 0.023 19288 1556 1 4 . 1 1 51 51 CYS N N 51 115.101 115.101 120.565 -5.464 19288 1557 1 4 . 1 1 51 51 CYS HA H 51 4.540 4.540 3.824 0.716 19288 1558 1 4 . 1 1 51 51 CYS C C 51 173.381 173.381 177.221 -3.840 19288 1559 1 4 . 1 1 51 51 CYS CA C 51 56.305 56.305 63.056 -6.751 19288 1560 1 4 . 1 1 51 51 CYS CB C 51 30.578 30.578 28.055 2.523 19288 1561 1 4 . 1 1 51 51 CYS H H 51 8.318 8.318 8.225 0.093 19288 1562 1 4 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.224 0.342 19288 1563 1 4 . 1 1 52 52 ARG C C 52 172.494 172.494 177.447 -4.953 19288 1564 1 4 . 1 1 52 52 ARG CA C 52 56.923 56.923 59.504 -2.581 19288 1565 1 4 . 1 1 52 52 ARG CB C 52 31.891 31.891 30.413 1.478 19288 1566 1 4 . 1 1 53 53 GLN N N 53 115.534 115.534 116.980 -1.446 19288 1567 1 4 . 1 1 53 53 GLN HA H 53 4.719 4.719 4.008 0.711 19288 1568 1 4 . 1 1 53 53 GLN CA C 53 54.637 54.637 58.395 -3.758 19288 1569 1 4 . 1 1 53 53 GLN CB C 53 30.904 30.904 28.384 2.520 19288 1570 1 4 . 1 1 53 53 GLN H H 53 7.649 7.649 7.845 -0.196 19288 1571 1 4 . 1 1 54 54 LYS N N 54 127.065 127.065 118.601 8.464 19288 1572 1 4 . 1 1 54 54 LYS HA H 54 3.771 3.771 4.066 -0.295 19288 1573 1 4 . 1 1 54 54 LYS C C 54 176.035 176.035 178.339 -2.304 19288 1574 1 4 . 1 1 54 54 LYS CA C 54 59.833 59.833 58.536 1.297 19288 1575 1 4 . 1 1 54 54 LYS CB C 54 32.087 32.087 32.177 -0.090 19288 1576 1 4 . 1 1 54 54 LYS H H 54 9.132 9.132 7.329 1.803 19288 1577 1 4 . 1 1 55 55 ALA N N 55 120.230 120.230 121.230 -1.000 19288 1578 1 4 . 1 1 55 55 ALA HA H 55 4.135 4.135 4.523 -0.388 19288 1579 1 4 . 1 1 55 55 ALA C C 55 176.728 176.728 177.720 -0.992 19288 1580 1 4 . 1 1 55 55 ALA CA C 55 55.456 55.456 52.684 2.772 19288 1581 1 4 . 1 1 55 55 ALA CB C 55 18.224 18.224 17.610 0.614 19288 1582 1 4 . 1 1 55 55 ALA H H 55 9.016 9.016 7.159 1.857 19288 1583 1 4 . 1 1 56 56 SER N N 56 112.225 112.225 115.600 -3.375 19288 1584 1 4 . 1 1 56 56 SER HA H 56 4.509 4.509 4.179 0.330 19288 1585 1 4 . 1 1 56 56 SER C C 56 178.309 178.309 176.441 1.868 19288 1586 1 4 . 1 1 56 56 SER CA C 56 61.172 61.172 61.432 -0.260 19288 1587 1 4 . 1 1 56 56 SER CB C 56 62.925 62.925 63.312 -0.387 19288 1588 1 4 . 1 1 56 56 SER H H 56 7.097 7.097 7.444 -0.347 19288 1589 1 4 . 1 1 57 57 LEU N N 57 126.317 126.317 120.293 6.024 19288 1590 1 4 . 1 1 57 57 LEU HA H 57 4.327 4.327 4.313 0.014 19288 1591 1 4 . 1 1 57 57 LEU C C 57 180.642 180.642 177.726 2.916 19288 1592 1 4 . 1 1 57 57 LEU CA C 57 58.038 58.038 57.229 0.809 19288 1593 1 4 . 1 1 57 57 LEU CB C 57 41.443 41.443 41.736 -0.293 19288 1594 1 4 . 1 1 57 57 LEU H H 57 7.667 7.667 7.756 -0.089 19288 1595 1 4 . 1 1 58 58 ASN N N 58 118.325 118.325 115.522 2.803 19288 1596 1 4 . 1 1 58 58 ASN HA H 58 4.364 4.364 5.052 -0.688 19288 1597 1 4 . 1 1 58 58 ASN C C 58 176.770 176.770 175.984 0.786 19288 1598 1 4 . 1 1 58 58 ASN CA C 58 56.457 56.457 53.837 2.620 19288 1599 1 4 . 1 1 58 58 ASN CB C 58 37.852 37.852 38.532 -0.680 19288 1600 1 4 . 1 1 58 58 ASN H H 58 8.533 8.533 8.375 0.158 19288 1601 1 4 . 1 1 59 59 TRP N N 59 119.802 119.802 120.902 -1.100 19288 1602 1 4 . 1 1 59 59 TRP HA H 59 4.349 4.349 4.518 -0.169 19288 1603 1 4 . 1 1 59 59 TRP C C 59 178.160 178.160 176.594 1.566 19288 1604 1 4 . 1 1 59 59 TRP CA C 59 60.432 60.432 59.702 0.730 19288 1605 1 4 . 1 1 59 59 TRP CB C 59 29.304 29.304 29.553 -0.249 19288 1606 1 4 . 1 1 59 59 TRP H H 59 7.914 7.914 7.447 0.467 19288 1607 1 4 . 1 1 60 60 HIS N N 60 119.175 119.175 118.182 0.993 19288 1608 1 4 . 1 1 60 60 HIS HA H 60 3.675 3.675 4.507 -0.832 19288 1609 1 4 . 1 1 60 60 HIS C C 60 174.721 174.721 173.664 1.057 19288 1610 1 4 . 1 1 60 60 HIS CA C 60 60.038 60.038 55.836 4.202 19288 1611 1 4 . 1 1 60 60 HIS CB C 60 28.143 28.143 31.415 -3.272 19288 1612 1 4 . 1 1 60 60 HIS H H 60 8.131 8.131 7.777 0.354 19288 1613 1 4 . 1 1 61 61 MET N N 61 114.602 114.602 116.367 -1.765 19288 1614 1 4 . 1 1 61 61 MET HA H 61 4.127 4.127 4.505 -0.378 19288 1615 1 4 . 1 1 61 61 MET C C 61 178.337 178.337 176.369 1.968 19288 1616 1 4 . 1 1 61 61 MET CA C 61 57.177 57.177 55.092 2.085 19288 1617 1 4 . 1 1 61 61 MET CB C 61 30.085 30.085 33.345 -3.260 19288 1618 1 4 . 1 1 61 61 MET H H 61 8.448 8.448 7.969 0.479 19288 1619 1 4 . 1 1 62 62 LYS N N 62 118.858 118.858 119.100 -0.242 19288 1620 1 4 . 1 1 62 62 LYS HA H 62 3.998 3.998 3.755 0.243 19288 1621 1 4 . 1 1 62 62 LYS C C 62 176.716 176.716 176.295 0.421 19288 1622 1 4 . 1 1 62 62 LYS CA C 62 58.512 58.512 58.941 -0.429 19288 1623 1 4 . 1 1 62 62 LYS CB C 62 31.694 31.694 33.060 -1.366 19288 1624 1 4 . 1 1 62 62 LYS H H 62 7.285 7.285 8.067 -0.782 19288 1625 1 4 . 1 1 63 63 LYS N N 63 117.683 117.683 116.399 1.284 19288 1626 1 4 . 1 1 63 63 LYS HA H 63 3.793 3.793 4.324 -0.531 19288 1627 1 4 . 1 1 63 63 LYS C C 63 179.150 179.150 175.157 3.993 19288 1628 1 4 . 1 1 63 63 LYS CA C 63 57.827 57.827 55.520 2.307 19288 1629 1 4 . 1 1 63 63 LYS CB C 63 31.272 31.272 33.934 -2.663 19288 1630 1 4 . 1 1 63 63 LYS H H 63 7.516 7.516 7.868 -0.352 19288 1631 1 4 . 1 1 64 64 HIS N N 64 115.200 115.200 121.525 -6.325 19288 1632 1 4 . 1 1 64 64 HIS HA H 64 4.708 4.708 4.627 0.081 19288 1633 1 4 . 1 1 64 64 HIS C C 64 178.727 178.727 173.130 5.597 19288 1634 1 4 . 1 1 64 64 HIS CA C 64 55.628 55.628 54.845 0.783 19288 1635 1 4 . 1 1 64 64 HIS CB C 64 28.782 28.782 32.216 -3.434 19288 1636 1 4 . 1 1 64 64 HIS H H 64 7.155 7.155 8.457 -1.302 19288 1637 1 4 . 1 1 65 65 ASP N N 65 120.441 120.441 124.666 -4.225 19288 1638 1 4 . 1 1 65 65 ASP HA H 65 4.503 4.503 4.965 -0.462 19288 1639 1 4 . 1 1 65 65 ASP C C 65 177.648 177.648 177.469 0.179 19288 1640 1 4 . 1 1 65 65 ASP CA C 65 55.296 55.296 52.667 2.628 19288 1641 1 4 . 1 1 65 65 ASP CB C 65 41.122 41.122 42.474 -1.353 19288 1642 1 4 . 1 1 65 65 ASP H H 65 7.653 7.653 8.776 -1.123 19288 1643 1 4 . 1 1 66 66 ALA N N 66 123.184 123.184 130.851 -7.667 19288 1644 1 4 . 1 1 66 66 ALA HA H 66 4.141 4.141 4.099 0.042 19288 1645 1 4 . 1 1 66 66 ALA C C 66 175.172 175.172 178.512 -3.340 19288 1646 1 4 . 1 1 66 66 ALA CA C 66 53.693 53.693 54.749 -1.056 19288 1647 1 4 . 1 1 66 66 ALA CB C 66 19.049 19.049 19.087 -0.038 19288 1648 1 4 . 1 1 66 66 ALA H H 66 8.088 8.088 8.740 -0.652 19288 1649 1 4 . 1 1 67 67 ASP N N 67 117.608 117.608 118.750 -1.142 19288 1650 1 4 . 1 1 67 67 ASP HA H 67 4.175 4.175 4.526 -0.351 19288 1651 1 4 . 1 1 67 67 ASP C C 67 176.687 176.687 176.382 0.305 19288 1652 1 4 . 1 1 67 67 ASP CA C 67 54.842 54.842 54.867 -0.025 19288 1653 1 4 . 1 1 67 67 ASP CB C 67 40.957 40.957 41.873 -0.916 19288 1654 1 4 . 1 1 67 67 ASP H H 67 7.999 7.999 8.194 -0.195 19288 1655 1 4 . 1 1 68 68 SER N N 68 114.794 114.794 113.519 1.275 19288 1656 1 4 . 1 1 68 68 SER HA H 68 4.145 4.145 4.772 -0.627 19288 1657 1 4 . 1 1 68 68 SER C C 68 178.056 178.056 174.170 3.886 19288 1658 1 4 . 1 1 68 68 SER CA C 68 59.397 59.397 56.224 3.173 19288 1659 1 4 . 1 1 68 68 SER CB C 68 63.682 63.682 65.017 -1.335 19288 1660 1 4 . 1 1 68 68 SER H H 68 7.797 7.797 8.131 -0.334 19288 1661 1 4 . 1 1 69 69 PHE N N 69 120.277 120.277 122.824 -2.547 19288 1662 1 4 . 1 1 69 69 PHE HA H 69 4.474 4.474 4.562 -0.088 19288 1663 1 4 . 1 1 69 69 PHE C C 69 176.959 176.959 174.741 2.218 19288 1664 1 4 . 1 1 69 69 PHE CA C 69 58.048 58.048 58.408 -0.360 19288 1665 1 4 . 1 1 69 69 PHE H H 69 7.850 7.850 8.471 -0.621 19288 1666 1 4 . 1 1 70 70 TYR N N 70 121.023 121.023 121.219 -0.196 19288 1667 1 4 . 1 1 70 70 TYR HA H 70 4.494 4.494 3.938 0.556 19288 1668 1 4 . 1 1 70 70 TYR C C 70 174.330 174.330 174.845 -0.515 19288 1669 1 4 . 1 1 70 70 TYR CA C 70 56.491 56.491 57.263 -0.772 19288 1670 1 4 . 1 1 70 70 TYR CB C 70 37.727 37.727 39.014 -1.286 19288 1671 1 4 . 1 1 70 70 TYR H H 70 7.818 7.818 8.089 -0.271 19288 1672 1 4 . 1 1 71 71 GLN N N 71 119.046 119.046 118.544 0.502 19288 1673 1 4 . 1 1 71 71 GLN HA H 71 4.085 4.085 4.014 0.071 19288 1674 1 4 . 1 1 71 71 GLN C C 71 175.830 175.830 174.046 1.784 19288 1675 1 4 . 1 1 71 71 GLN CA C 71 56.485 56.485 56.214 0.272 19288 1676 1 4 . 1 1 71 71 GLN CB C 71 30.291 30.291 26.132 4.159 19288 1677 1 4 . 1 1 71 71 GLN H H 71 8.352 8.352 8.097 0.255 19288 1678 1 4 . 1 1 72 72 PHE N N 72 117.779 117.779 118.268 -0.489 19288 1679 1 4 . 1 1 72 72 PHE HA H 72 4.850 4.850 4.519 0.331 19288 1680 1 4 . 1 1 72 72 PHE C C 72 176.323 176.323 175.521 0.802 19288 1681 1 4 . 1 1 72 72 PHE CA C 72 57.157 57.157 55.550 1.607 19288 1682 1 4 . 1 1 72 72 PHE CB C 72 41.106 41.106 40.692 0.414 19288 1683 1 4 . 1 1 72 72 PHE H H 72 7.901 7.901 7.721 0.180 19288 1684 1 4 . 1 1 73 73 SER N N 73 114.707 114.707 117.603 -2.896 19288 1685 1 4 . 1 1 73 73 SER HA H 73 5.469 5.469 4.242 1.227 19288 1686 1 4 . 1 1 73 73 SER C C 73 175.151 175.151 173.942 1.209 19288 1687 1 4 . 1 1 73 73 SER CA C 73 57.026 57.026 59.817 -2.791 19288 1688 1 4 . 1 1 73 73 SER CB C 73 65.963 65.963 63.323 2.640 19288 1689 1 4 . 1 1 73 73 SER H H 73 8.744 8.744 8.736 0.008 19288 1690 1 4 . 1 1 74 74 CYS N N 74 124.143 124.143 116.715 7.428 19288 1691 1 4 . 1 1 74 74 CYS HA H 74 4.391 4.391 4.561 -0.170 19288 1692 1 4 . 1 1 74 74 CYS C C 74 174.848 174.848 174.906 -0.058 19288 1693 1 4 . 1 1 74 74 CYS CA C 74 59.743 59.743 57.457 2.286 19288 1694 1 4 . 1 1 74 74 CYS CB C 74 30.581 30.581 29.157 1.424 19288 1695 1 4 . 1 1 74 74 CYS H H 74 9.154 9.154 7.599 1.555 19288 1696 1 4 . 1 1 75 75 ASN HA H 75 4.501 4.501 4.151 0.350 19288 1697 1 4 . 1 1 75 75 ASN C C 75 173.664 173.664 176.938 -3.274 19288 1698 1 4 . 1 1 75 75 ASN CA C 75 55.316 55.316 55.871 -0.555 19288 1699 1 4 . 1 1 75 75 ASN CB C 75 36.774 36.774 38.117 -1.343 19288 1700 1 4 . 1 1 76 76 ILE N N 76 123.143 123.143 119.476 3.667 19288 1701 1 4 . 1 1 76 76 ILE HA H 76 3.908 3.908 3.905 0.003 19288 1702 1 4 . 1 1 76 76 ILE CA C 76 63.223 63.223 64.648 -1.425 19288 1703 1 4 . 1 1 76 76 ILE CB C 76 38.269 38.269 37.716 0.553 19288 1704 1 4 . 1 1 76 76 ILE H H 76 8.921 8.921 8.300 0.621 19288 1705 1 4 . 1 1 77 77 CYS N N 77 116.298 116.298 118.469 -2.171 19288 1706 1 4 . 1 1 77 77 CYS HA H 77 5.159 5.159 3.992 1.167 19288 1707 1 4 . 1 1 77 77 CYS C C 77 174.401 174.401 176.935 -2.534 19288 1708 1 4 . 1 1 77 77 CYS CA C 77 58.394 58.394 61.821 -3.427 19288 1709 1 4 . 1 1 77 77 CYS CB C 77 32.743 32.743 27.088 5.655 19288 1710 1 4 . 1 1 77 77 CYS H H 77 8.243 8.243 7.440 0.803 19288 1711 1 4 . 1 1 78 78 GLY N N 78 113.607 113.607 111.541 2.066 19288 1712 1 4 . 1 1 78 78 GLY C C 78 176.862 176.862 176.440 0.422 19288 1713 1 4 . 1 1 78 78 GLY CA C 78 46.321 46.321 49.244 -2.923 19288 1714 1 4 . 1 1 78 78 GLY H H 78 8.060 8.060 7.126 0.934 19288 1715 1 4 . 1 1 79 79 LYS N N 79 123.134 123.134 120.711 2.423 19288 1716 1 4 . 1 1 79 79 LYS HA H 79 3.950 3.950 3.840 0.110 19288 1717 1 4 . 1 1 79 79 LYS C C 79 176.484 176.484 178.136 -1.652 19288 1718 1 4 . 1 1 79 79 LYS CA C 79 58.342 58.342 60.726 -2.384 19288 1719 1 4 . 1 1 79 79 LYS CB C 79 33.770 33.770 31.646 2.124 19288 1720 1 4 . 1 1 79 79 LYS H H 79 7.977 7.977 8.214 -0.237 19288 1721 1 4 . 1 1 80 80 LYS N N 80 121.440 121.440 118.925 2.515 19288 1722 1 4 . 1 1 80 80 LYS HA H 80 4.884 4.884 4.005 0.879 19288 1723 1 4 . 1 1 80 80 LYS C C 80 173.961 173.961 178.265 -4.304 19288 1724 1 4 . 1 1 80 80 LYS CA C 80 55.524 55.524 59.270 -3.746 19288 1725 1 4 . 1 1 80 80 LYS CB C 80 35.024 35.024 31.579 3.445 19288 1726 1 4 . 1 1 80 80 LYS H H 80 7.918 7.918 7.594 0.324 19288 1727 1 4 . 1 1 81 81 PHE N N 81 116.724 116.724 119.989 -3.265 19288 1728 1 4 . 1 1 81 81 PHE HA H 81 4.598 4.598 4.316 0.282 19288 1729 1 4 . 1 1 81 81 PHE C C 81 174.541 174.541 177.950 -3.409 19288 1730 1 4 . 1 1 81 81 PHE CA C 81 57.359 57.359 61.970 -4.611 19288 1731 1 4 . 1 1 81 81 PHE CB C 81 44.738 44.738 39.409 5.329 19288 1732 1 4 . 1 1 81 81 PHE H H 81 8.725 8.725 7.863 0.862 19288 1733 1 4 . 1 1 82 82 GLU N N 82 120.474 120.474 118.836 1.638 19288 1734 1 4 . 1 1 82 82 GLU HA H 82 4.155 4.155 4.357 -0.202 19288 1735 1 4 . 1 1 82 82 GLU C C 82 175.832 175.832 177.923 -2.091 19288 1736 1 4 . 1 1 82 82 GLU CA C 82 57.900 57.900 59.123 -1.223 19288 1737 1 4 . 1 1 82 82 GLU CB C 82 30.829 30.829 29.822 1.008 19288 1738 1 4 . 1 1 82 82 GLU H H 82 8.775 8.775 8.457 0.318 19288 1739 1 4 . 1 1 83 83 LYS N N 83 114.607 114.607 118.055 -3.448 19288 1740 1 4 . 1 1 83 83 LYS HA H 83 4.607 4.607 4.213 0.394 19288 1741 1 4 . 1 1 83 83 LYS C C 83 174.585 174.585 177.661 -3.076 19288 1742 1 4 . 1 1 83 83 LYS CA C 83 54.369 54.369 58.861 -4.492 19288 1743 1 4 . 1 1 83 83 LYS CB C 83 35.540 35.540 32.383 3.157 19288 1744 1 4 . 1 1 83 83 LYS H H 83 7.547 7.547 7.598 -0.051 19288 1745 1 4 . 1 1 84 84 LYS N N 84 124.921 124.921 116.022 8.899 19288 1746 1 4 . 1 1 84 84 LYS HA H 84 3.073 3.073 4.395 -1.322 19288 1747 1 4 . 1 1 84 84 LYS C C 84 176.545 176.545 178.158 -1.613 19288 1748 1 4 . 1 1 84 84 LYS CA C 84 59.680 59.680 57.626 2.054 19288 1749 1 4 . 1 1 84 84 LYS CB C 84 31.920 31.920 33.290 -1.370 19288 1750 1 4 . 1 1 84 84 LYS H H 84 8.162 8.162 7.477 0.685 19288 1751 1 4 . 1 1 85 85 ASP N N 85 116.468 116.468 117.845 -1.377 19288 1752 1 4 . 1 1 85 85 ASP HA H 85 4.192 4.192 4.499 -0.307 19288 1753 1 4 . 1 1 85 85 ASP C C 85 176.385 176.385 174.867 1.518 19288 1754 1 4 . 1 1 85 85 ASP CA C 85 56.789 56.789 54.894 1.895 19288 1755 1 4 . 1 1 85 85 ASP CB C 85 39.780 39.780 41.309 -1.530 19288 1756 1 4 . 1 1 85 85 ASP H H 85 8.682 8.682 8.097 0.585 19288 1757 1 4 . 1 1 86 86 SER N N 86 114.601 114.601 116.619 -2.018 19288 1758 1 4 . 1 1 86 86 SER HA H 86 4.183 4.183 4.816 -0.633 19288 1759 1 4 . 1 1 86 86 SER C C 86 179.169 179.169 172.702 6.467 19288 1760 1 4 . 1 1 86 86 SER CA C 86 60.939 60.939 55.951 4.988 19288 1761 1 4 . 1 1 86 86 SER CB C 86 62.823 62.823 65.377 -2.554 19288 1762 1 4 . 1 1 86 86 SER H H 86 7.200 7.200 7.529 -0.329 19288 1763 1 4 . 1 1 87 87 VAL HA H 87 2.698 2.698 4.179 -1.481 19288 1764 1 4 . 1 1 87 87 VAL C C 87 178.806 178.806 174.422 4.384 19288 1765 1 4 . 1 1 87 87 VAL CA C 87 66.028 66.028 62.377 3.651 19288 1766 1 4 . 1 1 87 87 VAL CB C 87 31.461 31.461 30.277 1.184 19288 1767 1 4 . 1 1 88 88 VAL N N 88 120.424 120.424 119.294 1.130 19288 1768 1 4 . 1 1 88 88 VAL HA H 88 3.485 3.485 4.364 -0.879 19288 1769 1 4 . 1 1 88 88 VAL C C 88 176.208 176.208 174.642 1.566 19288 1770 1 4 . 1 1 88 88 VAL CA C 88 66.735 66.735 61.659 5.076 19288 1771 1 4 . 1 1 88 88 VAL CB C 88 31.948 31.948 34.847 -2.899 19288 1772 1 4 . 1 1 88 88 VAL H H 88 7.190 7.190 7.794 -0.604 19288 1773 1 5 . 1 1 10 10 HIS HA H 10 4.620 4.620 4.942 -0.322 19288 1774 1 5 . 1 1 10 10 HIS CA C 10 56.302 56.302 54.865 1.437 19288 1775 1 5 . 1 1 10 10 HIS CB C 10 30.312 30.312 31.757 -1.445 19288 1776 1 5 . 1 1 11 11 MET N N 11 121.464 121.464 123.291 -1.827 19288 1777 1 5 . 1 1 11 11 MET HA H 11 4.387 4.387 4.692 -0.305 19288 1778 1 5 . 1 1 11 11 MET CA C 11 55.835 55.835 55.488 0.347 19288 1779 1 5 . 1 1 11 11 MET CB C 11 32.794 32.794 34.561 -1.767 19288 1780 1 5 . 1 1 11 11 MET H H 11 8.178 8.178 7.980 0.198 19288 1781 1 5 . 1 1 12 12 ARG N N 12 121.614 121.614 122.468 -0.854 19288 1782 1 5 . 1 1 12 12 ARG HA H 12 4.244 4.244 4.269 -0.025 19288 1783 1 5 . 1 1 12 12 ARG CA C 12 55.802 55.802 57.343 -1.540 19288 1784 1 5 . 1 1 12 12 ARG CB C 12 31.110 31.110 30.652 0.458 19288 1785 1 5 . 1 1 12 12 ARG H H 12 8.209 8.209 8.537 -0.328 19288 1786 1 5 . 1 1 13 13 ASP N N 13 119.634 119.634 117.831 1.803 19288 1787 1 5 . 1 1 13 13 ASP HA H 13 4.667 4.667 4.646 0.021 19288 1788 1 5 . 1 1 13 13 ASP C C 13 175.723 175.723 174.041 1.682 19288 1789 1 5 . 1 1 13 13 ASP CA C 13 54.112 54.112 53.552 0.560 19288 1790 1 5 . 1 1 13 13 ASP CB C 13 42.459 42.459 42.532 -0.073 19288 1791 1 5 . 1 1 13 13 ASP H H 13 7.858 7.858 7.531 0.327 19288 1792 1 5 . 1 1 14 14 TYR N N 14 120.932 120.932 119.540 1.392 19288 1793 1 5 . 1 1 14 14 TYR HA H 14 4.534 4.534 4.753 -0.219 19288 1794 1 5 . 1 1 14 14 TYR C C 14 174.767 174.767 176.205 -1.438 19288 1795 1 5 . 1 1 14 14 TYR CA C 14 57.521 57.521 57.704 -0.183 19288 1796 1 5 . 1 1 14 14 TYR CB C 14 38.608 38.608 42.407 -3.799 19288 1797 1 5 . 1 1 14 14 TYR H H 14 8.676 8.676 8.545 0.131 19288 1798 1 5 . 1 1 15 15 ILE N N 15 124.585 124.585 124.678 -0.093 19288 1799 1 5 . 1 1 15 15 ILE HA H 15 4.714 4.714 4.099 0.615 19288 1800 1 5 . 1 1 15 15 ILE C C 15 175.178 175.178 175.562 -0.384 19288 1801 1 5 . 1 1 15 15 ILE CA C 15 59.647 59.647 62.491 -2.844 19288 1802 1 5 . 1 1 15 15 ILE CB C 15 39.969 39.969 38.673 1.296 19288 1803 1 5 . 1 1 15 15 ILE H H 15 8.479 8.479 8.652 -0.173 19288 1804 1 5 . 1 1 16 16 CYS N N 16 129.411 129.411 113.974 15.437 19288 1805 1 5 . 1 1 16 16 CYS HA H 16 4.334 4.334 4.555 -0.221 19288 1806 1 5 . 1 1 16 16 CYS C C 16 174.675 174.675 175.458 -0.783 19288 1807 1 5 . 1 1 16 16 CYS CA C 16 61.303 61.303 56.795 4.508 19288 1808 1 5 . 1 1 16 16 CYS CB C 16 30.233 30.233 29.568 0.665 19288 1809 1 5 . 1 1 16 16 CYS H H 16 9.141 9.141 7.770 1.371 19288 1810 1 5 . 1 1 17 17 GLU N N 17 133.830 133.830 128.768 5.062 19288 1811 1 5 . 1 1 17 17 GLU HA H 17 4.200 4.200 2.949 1.251 19288 1812 1 5 . 1 1 17 17 GLU C C 17 175.826 175.826 177.890 -2.064 19288 1813 1 5 . 1 1 17 17 GLU CA C 17 58.616 58.616 59.809 -1.193 19288 1814 1 5 . 1 1 17 17 GLU CB C 17 28.133 28.133 29.156 -1.023 19288 1815 1 5 . 1 1 17 17 GLU H H 17 10.744 10.744 8.883 1.861 19288 1816 1 5 . 1 1 18 18 TYR N N 18 121.850 121.850 122.199 -0.349 19288 1817 1 5 . 1 1 18 18 TYR HA H 18 4.316 4.316 4.276 0.040 19288 1818 1 5 . 1 1 18 18 TYR C C 18 176.782 176.782 177.434 -0.652 19288 1819 1 5 . 1 1 18 18 TYR CA C 18 60.371 60.371 61.438 -1.067 19288 1820 1 5 . 1 1 18 18 TYR CB C 18 37.374 37.374 38.648 -1.274 19288 1821 1 5 . 1 1 18 18 TYR H H 18 9.190 9.190 7.800 1.390 19288 1822 1 5 . 1 1 19 19 CYS N N 19 116.138 116.138 118.321 -2.183 19288 1823 1 5 . 1 1 19 19 CYS HA H 19 5.111 5.111 4.162 0.949 19288 1824 1 5 . 1 1 19 19 CYS C C 19 176.019 176.019 177.171 -1.152 19288 1825 1 5 . 1 1 19 19 CYS CA C 19 58.721 58.721 61.735 -3.014 19288 1826 1 5 . 1 1 19 19 CYS CB C 19 32.573 32.573 28.132 4.441 19288 1827 1 5 . 1 1 19 19 CYS H H 19 7.999 7.999 7.532 0.467 19288 1828 1 5 . 1 1 20 20 ALA N N 20 122.058 122.058 122.704 -0.646 19288 1829 1 5 . 1 1 20 20 ALA HA H 20 4.140 4.140 3.545 0.595 19288 1830 1 5 . 1 1 20 20 ALA C C 20 177.014 177.014 178.195 -1.181 19288 1831 1 5 . 1 1 20 20 ALA CA C 20 54.584 54.584 54.601 -0.017 19288 1832 1 5 . 1 1 20 20 ALA CB C 20 17.127 17.127 18.664 -1.537 19288 1833 1 5 . 1 1 20 20 ALA H H 20 8.067 8.067 7.526 0.541 19288 1834 1 5 . 1 1 21 21 ARG N N 21 121.286 121.286 119.815 1.471 19288 1835 1 5 . 1 1 21 21 ARG HA H 21 4.003 4.003 3.999 0.004 19288 1836 1 5 . 1 1 21 21 ARG C C 21 175.133 175.133 178.469 -3.336 19288 1837 1 5 . 1 1 21 21 ARG CA C 21 58.236 58.236 59.186 -0.950 19288 1838 1 5 . 1 1 21 21 ARG CB C 21 31.677 31.677 29.288 2.389 19288 1839 1 5 . 1 1 21 21 ARG H H 21 7.947 7.947 7.942 0.005 19288 1840 1 5 . 1 1 22 22 ALA N N 22 123.966 123.966 120.415 3.551 19288 1841 1 5 . 1 1 22 22 ALA HA H 22 5.008 5.008 3.746 1.262 19288 1842 1 5 . 1 1 22 22 ALA C C 22 175.750 175.750 179.229 -3.479 19288 1843 1 5 . 1 1 22 22 ALA CA C 22 50.811 50.811 55.593 -4.782 19288 1844 1 5 . 1 1 22 22 ALA CB C 22 21.928 21.928 17.903 4.025 19288 1845 1 5 . 1 1 22 22 ALA H H 22 7.968 7.968 7.613 0.355 19288 1846 1 5 . 1 1 23 23 PHE N N 23 118.728 118.728 119.965 -1.237 19288 1847 1 5 . 1 1 23 23 PHE HA H 23 4.678 4.678 4.206 0.472 19288 1848 1 5 . 1 1 23 23 PHE C C 23 173.852 173.852 178.610 -4.758 19288 1849 1 5 . 1 1 23 23 PHE CA C 23 57.367 57.367 61.543 -4.176 19288 1850 1 5 . 1 1 23 23 PHE CB C 23 43.458 43.458 39.238 4.220 19288 1851 1 5 . 1 1 23 23 PHE H H 23 9.004 9.004 7.505 1.499 19288 1852 1 5 . 1 1 24 24 LYS N N 24 119.176 119.176 118.723 0.453 19288 1853 1 5 . 1 1 24 24 LYS HA H 24 4.709 4.709 4.227 0.482 19288 1854 1 5 . 1 1 24 24 LYS C C 24 176.934 176.934 178.427 -1.493 19288 1855 1 5 . 1 1 24 24 LYS CA C 24 56.482 56.482 58.916 -2.433 19288 1856 1 5 . 1 1 24 24 LYS CB C 24 33.111 33.111 32.019 1.092 19288 1857 1 5 . 1 1 24 24 LYS H H 24 9.211 9.211 8.478 0.733 19288 1858 1 5 . 1 1 25 25 SER N N 25 110.950 110.950 114.140 -3.190 19288 1859 1 5 . 1 1 25 25 SER HA H 25 4.566 4.566 4.301 0.265 19288 1860 1 5 . 1 1 25 25 SER C C 25 175.671 175.671 175.182 0.489 19288 1861 1 5 . 1 1 25 25 SER CA C 25 55.683 55.683 59.151 -3.468 19288 1862 1 5 . 1 1 25 25 SER CB C 25 66.490 66.490 62.916 3.574 19288 1863 1 5 . 1 1 25 25 SER H H 25 7.474 7.474 7.496 -0.022 19288 1864 1 5 . 1 1 26 26 SER N N 26 119.411 119.411 112.841 6.570 19288 1865 1 5 . 1 1 26 26 SER C C 26 176.269 176.269 175.293 0.976 19288 1866 1 5 . 1 1 26 26 SER CA C 26 60.616 60.616 59.179 1.437 19288 1867 1 5 . 1 1 26 26 SER CB C 26 61.758 61.758 61.774 -0.016 19288 1868 1 5 . 1 1 26 26 SER H H 26 8.487 8.487 7.312 1.175 19288 1869 1 5 . 1 1 27 27 HIS HA H 27 4.258 4.258 4.597 -0.339 19288 1870 1 5 . 1 1 27 27 HIS C C 27 173.658 173.658 176.132 -2.474 19288 1871 1 5 . 1 1 27 27 HIS CA C 27 59.581 59.581 56.658 2.923 19288 1872 1 5 . 1 1 27 27 HIS CB C 27 29.913 29.913 29.848 0.065 19288 1873 1 5 . 1 1 28 28 ASN N N 28 117.126 117.126 115.575 1.551 19288 1874 1 5 . 1 1 28 28 ASN HA H 28 4.216 4.216 4.696 -0.480 19288 1875 1 5 . 1 1 28 28 ASN CA C 28 55.547 55.547 52.710 2.837 19288 1876 1 5 . 1 1 28 28 ASN CB C 28 37.634 37.634 36.365 1.269 19288 1877 1 5 . 1 1 28 28 ASN H H 28 7.681 7.681 7.319 0.362 19288 1878 1 5 . 1 1 29 29 LEU N N 29 121.121 121.121 123.403 -2.282 19288 1879 1 5 . 1 1 29 29 LEU HA H 29 3.177 3.177 4.120 -0.943 19288 1880 1 5 . 1 1 29 29 LEU C C 29 176.205 176.205 176.507 -0.302 19288 1881 1 5 . 1 1 29 29 LEU CA C 29 57.893 57.893 54.820 3.073 19288 1882 1 5 . 1 1 29 29 LEU H H 29 7.300 7.300 7.504 -0.204 19288 1883 1 5 . 1 1 30 30 ALA N N 30 122.058 122.058 121.588 0.470 19288 1884 1 5 . 1 1 30 30 ALA HA H 30 3.917 3.917 4.190 -0.273 19288 1885 1 5 . 1 1 30 30 ALA C C 30 178.363 178.363 176.709 1.654 19288 1886 1 5 . 1 1 30 30 ALA CA C 30 55.487 55.487 51.626 3.861 19288 1887 1 5 . 1 1 30 30 ALA CB C 30 17.947 17.947 18.542 -0.595 19288 1888 1 5 . 1 1 30 30 ALA H H 30 7.987 7.987 8.228 -0.241 19288 1889 1 5 . 1 1 31 31 VAL N N 31 116.442 116.442 118.549 -2.107 19288 1890 1 5 . 1 1 31 31 VAL HA H 31 3.556 3.556 3.869 -0.313 19288 1891 1 5 . 1 1 31 31 VAL C C 31 176.352 176.352 174.207 2.145 19288 1892 1 5 . 1 1 31 31 VAL CA C 31 65.936 65.936 61.929 4.007 19288 1893 1 5 . 1 1 31 31 VAL CB C 31 32.281 32.281 31.007 1.274 19288 1894 1 5 . 1 1 31 31 VAL H H 31 7.636 7.636 7.732 -0.096 19288 1895 1 5 . 1 1 32 32 HIS HA H 32 4.125 4.125 4.424 -0.299 19288 1896 1 5 . 1 1 32 32 HIS C C 32 180.696 180.696 174.828 5.868 19288 1897 1 5 . 1 1 32 32 HIS CA C 32 59.377 59.377 57.195 2.182 19288 1898 1 5 . 1 1 32 32 HIS CB C 32 28.332 28.332 30.224 -1.892 19288 1899 1 5 . 1 1 33 33 ARG N N 33 115.795 115.795 119.320 -3.525 19288 1900 1 5 . 1 1 33 33 ARG HA H 33 3.658 3.658 4.687 -1.029 19288 1901 1 5 . 1 1 33 33 ARG C C 33 178.735 178.735 174.546 4.189 19288 1902 1 5 . 1 1 33 33 ARG CA C 33 60.012 60.012 55.827 4.185 19288 1903 1 5 . 1 1 33 33 ARG CB C 33 31.144 31.144 32.439 -1.295 19288 1904 1 5 . 1 1 33 33 ARG H H 33 8.633 8.633 7.734 0.899 19288 1905 1 5 . 1 1 34 34 MET N N 34 115.672 115.672 119.758 -4.086 19288 1906 1 5 . 1 1 34 34 MET HA H 34 4.211 4.211 5.189 -0.978 19288 1907 1 5 . 1 1 34 34 MET C C 34 176.427 176.427 175.314 1.113 19288 1908 1 5 . 1 1 34 34 MET CA C 34 57.866 57.866 53.777 4.089 19288 1909 1 5 . 1 1 34 34 MET CB C 34 32.221 32.221 37.304 -5.083 19288 1910 1 5 . 1 1 34 34 MET H H 34 7.057 7.057 8.342 -1.285 19288 1911 1 5 . 1 1 35 35 ILE N N 35 116.381 116.381 125.275 -8.894 19288 1912 1 5 . 1 1 35 35 ILE HA H 35 3.904 3.904 4.252 -0.348 19288 1913 1 5 . 1 1 35 35 ILE C C 35 177.504 177.504 175.072 2.432 19288 1914 1 5 . 1 1 35 35 ILE CA C 35 63.402 63.402 61.784 1.618 19288 1915 1 5 . 1 1 35 35 ILE CB C 35 37.724 37.724 37.738 -0.014 19288 1916 1 5 . 1 1 35 35 ILE H H 35 7.811 7.811 8.864 -1.053 19288 1917 1 5 . 1 1 36 36 HIS N N 36 117.423 117.423 127.977 -10.554 19288 1918 1 5 . 1 1 36 36 HIS HA H 36 4.481 4.481 4.807 -0.326 19288 1919 1 5 . 1 1 36 36 HIS C C 36 178.413 178.413 173.450 4.963 19288 1920 1 5 . 1 1 36 36 HIS CA C 36 55.260 55.260 55.389 -0.129 19288 1921 1 5 . 1 1 36 36 HIS CB C 36 28.066 28.066 29.296 -1.230 19288 1922 1 5 . 1 1 36 36 HIS H H 36 7.247 7.247 8.848 -1.601 19288 1923 1 5 . 1 1 37 37 THR N N 37 110.804 110.804 118.291 -7.487 19288 1924 1 5 . 1 1 37 37 THR HA H 37 4.160 4.160 4.432 -0.272 19288 1925 1 5 . 1 1 37 37 THR C C 37 177.179 177.179 174.280 2.899 19288 1926 1 5 . 1 1 37 37 THR CA C 37 62.791 62.791 62.935 -0.144 19288 1927 1 5 . 1 1 37 37 THR CB C 37 69.712 69.712 70.758 -1.046 19288 1928 1 5 . 1 1 37 37 THR H H 37 7.553 7.553 8.130 -0.577 19288 1929 1 5 . 1 1 38 38 GLY N N 38 110.842 110.842 111.581 -0.739 19288 1930 1 5 . 1 1 38 38 GLY C C 38 175.821 175.821 175.313 0.508 19288 1931 1 5 . 1 1 38 38 GLY CA C 38 45.403 45.403 43.008 2.395 19288 1932 1 5 . 1 1 38 38 GLY H H 38 8.195 8.195 7.556 0.639 19288 1933 1 5 . 1 1 39 39 GLU N N 39 120.441 120.441 124.459 -4.018 19288 1934 1 5 . 1 1 39 39 GLU HA H 39 4.238 4.238 4.335 -0.097 19288 1935 1 5 . 1 1 39 39 GLU C C 39 175.390 175.390 175.420 -0.030 19288 1936 1 5 . 1 1 39 39 GLU CA C 39 56.572 56.572 57.915 -1.343 19288 1937 1 5 . 1 1 39 39 GLU H H 39 7.953 7.953 8.821 -0.868 19288 1938 1 5 . 1 1 40 40 LYS N N 40 123.624 123.624 127.436 -3.812 19288 1939 1 5 . 1 1 40 40 LYS HA H 40 4.534 4.534 4.545 -0.011 19288 1940 1 5 . 1 1 40 40 LYS C C 40 174.124 174.124 174.424 -0.300 19288 1941 1 5 . 1 1 40 40 LYS CA C 40 54.236 54.236 54.288 -0.051 19288 1942 1 5 . 1 1 40 40 LYS CB C 40 32.769 32.769 35.726 -2.957 19288 1943 1 5 . 1 1 40 40 LYS H H 40 8.321 8.321 7.898 0.423 19288 1944 1 5 . 1 1 41 41 PRO HA H 41 4.404 4.404 5.002 -0.598 19288 1945 1 5 . 1 1 41 41 PRO C C 41 176.103 176.103 176.084 0.019 19288 1946 1 5 . 1 1 41 41 PRO CA C 41 63.174 63.174 62.798 0.376 19288 1947 1 5 . 1 1 41 41 PRO CB C 41 32.306 32.306 32.346 -0.040 19288 1948 1 5 . 1 1 42 42 LEU N N 42 122.177 122.177 127.327 -5.150 19288 1949 1 5 . 1 1 42 42 LEU HA H 42 4.381 4.381 4.515 -0.134 19288 1950 1 5 . 1 1 42 42 LEU CA C 42 54.626 54.626 51.866 2.760 19288 1951 1 5 . 1 1 42 42 LEU CB C 42 42.719 42.719 45.975 -3.256 19288 1952 1 5 . 1 1 42 42 LEU H H 42 8.293 8.293 8.718 -0.425 19288 1953 1 5 . 1 1 43 43 GLN N N 43 119.188 119.188 118.906 0.282 19288 1954 1 5 . 1 1 43 43 GLN HA H 43 5.181 5.181 4.453 0.728 19288 1955 1 5 . 1 1 43 43 GLN C C 43 176.325 176.325 175.281 1.044 19288 1956 1 5 . 1 1 43 43 GLN CA C 43 53.898 53.898 55.803 -1.905 19288 1957 1 5 . 1 1 43 43 GLN CB C 43 32.969 32.969 29.460 3.509 19288 1958 1 5 . 1 1 43 43 GLN H H 43 8.180 8.180 8.548 -0.368 19288 1959 1 5 . 1 1 44 44 CYS N N 44 127.346 127.346 119.040 8.306 19288 1960 1 5 . 1 1 44 44 CYS HA H 44 4.453 4.453 4.646 -0.193 19288 1961 1 5 . 1 1 44 44 CYS C C 44 175.677 175.677 175.712 -0.035 19288 1962 1 5 . 1 1 44 44 CYS CA C 44 59.437 59.437 57.885 1.552 19288 1963 1 5 . 1 1 44 44 CYS CB C 44 30.721 30.721 29.344 1.377 19288 1964 1 5 . 1 1 44 44 CYS H H 44 9.299 9.299 7.935 1.364 19288 1965 1 5 . 1 1 45 45 GLU N N 45 131.846 131.846 123.720 8.126 19288 1966 1 5 . 1 1 45 45 GLU HA H 45 4.178 4.178 4.057 0.121 19288 1967 1 5 . 1 1 45 45 GLU C C 45 174.655 174.655 177.705 -3.050 19288 1968 1 5 . 1 1 45 45 GLU CA C 45 58.342 58.342 59.428 -1.085 19288 1969 1 5 . 1 1 45 45 GLU CB C 45 29.819 29.819 28.844 0.975 19288 1970 1 5 . 1 1 45 45 GLU H H 45 9.602 9.602 9.093 0.509 19288 1971 1 5 . 1 1 46 46 ILE N N 46 121.898 121.898 120.920 0.978 19288 1972 1 5 . 1 1 46 46 ILE HA H 46 3.840 3.840 3.847 -0.007 19288 1973 1 5 . 1 1 46 46 ILE C C 46 177.404 177.404 178.349 -0.945 19288 1974 1 5 . 1 1 46 46 ILE CA C 46 63.494 63.494 64.531 -1.037 19288 1975 1 5 . 1 1 46 46 ILE CB C 46 38.461 38.461 36.709 1.752 19288 1976 1 5 . 1 1 46 46 ILE H H 46 8.973 8.973 8.781 0.192 19288 1977 1 5 . 1 1 47 47 CYS N N 47 117.274 117.274 117.125 0.149 19288 1978 1 5 . 1 1 47 47 CYS HA H 47 5.231 5.231 4.356 0.875 19288 1979 1 5 . 1 1 47 47 CYS C C 47 176.087 176.087 176.176 -0.089 19288 1980 1 5 . 1 1 47 47 CYS CA C 47 58.455 58.455 62.096 -3.641 19288 1981 1 5 . 1 1 47 47 CYS CB C 47 33.590 33.590 27.246 6.344 19288 1982 1 5 . 1 1 47 47 CYS H H 47 8.432 8.432 8.490 -0.058 19288 1983 1 5 . 1 1 48 48 GLY N N 48 112.655 112.655 107.281 5.374 19288 1984 1 5 . 1 1 48 48 GLY C C 48 177.177 177.177 176.406 0.771 19288 1985 1 5 . 1 1 48 48 GLY CA C 48 46.253 46.253 47.501 -1.248 19288 1986 1 5 . 1 1 48 48 GLY H H 48 8.016 8.016 7.590 0.426 19288 1987 1 5 . 1 1 49 49 PHE N N 49 125.000 125.000 120.117 4.883 19288 1988 1 5 . 1 1 49 49 PHE HA H 49 4.272 4.272 4.103 0.169 19288 1989 1 5 . 1 1 49 49 PHE C C 49 176.313 176.313 178.051 -1.738 19288 1990 1 5 . 1 1 49 49 PHE CA C 49 59.750 59.750 61.378 -1.628 19288 1991 1 5 . 1 1 49 49 PHE CB C 49 41.278 41.278 38.357 2.921 19288 1992 1 5 . 1 1 49 49 PHE H H 49 8.333 8.333 8.283 0.050 19288 1993 1 5 . 1 1 50 50 THR N N 50 118.297 118.297 111.262 7.035 19288 1994 1 5 . 1 1 50 50 THR HA H 50 5.150 5.150 4.246 0.904 19288 1995 1 5 . 1 1 50 50 THR C C 50 173.480 173.480 176.600 -3.120 19288 1996 1 5 . 1 1 50 50 THR CA C 50 59.186 59.186 64.034 -4.848 19288 1997 1 5 . 1 1 50 50 THR CB C 50 71.954 71.954 69.005 2.949 19288 1998 1 5 . 1 1 50 50 THR H H 50 7.336 7.336 7.959 -0.623 19288 1999 1 5 . 1 1 51 51 CYS N N 51 115.101 115.101 120.251 -5.150 19288 2000 1 5 . 1 1 51 51 CYS HA H 51 4.540 4.540 4.234 0.306 19288 2001 1 5 . 1 1 51 51 CYS C C 51 173.381 173.381 176.754 -3.373 19288 2002 1 5 . 1 1 51 51 CYS CA C 51 56.305 56.305 62.360 -6.055 19288 2003 1 5 . 1 1 51 51 CYS CB C 51 30.578 30.578 28.710 1.868 19288 2004 1 5 . 1 1 51 51 CYS H H 51 8.318 8.318 7.682 0.636 19288 2005 1 5 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.341 0.225 19288 2006 1 5 . 1 1 52 52 ARG C C 52 172.494 172.494 177.617 -5.123 19288 2007 1 5 . 1 1 52 52 ARG CA C 52 56.923 56.923 59.432 -2.509 19288 2008 1 5 . 1 1 52 52 ARG CB C 52 31.891 31.891 30.541 1.350 19288 2009 1 5 . 1 1 53 53 GLN N N 53 115.534 115.534 119.620 -4.086 19288 2010 1 5 . 1 1 53 53 GLN HA H 53 4.719 4.719 3.937 0.782 19288 2011 1 5 . 1 1 53 53 GLN CA C 53 54.637 54.637 58.896 -4.259 19288 2012 1 5 . 1 1 53 53 GLN CB C 53 30.904 30.904 28.041 2.863 19288 2013 1 5 . 1 1 53 53 GLN H H 53 7.649 7.649 7.722 -0.073 19288 2014 1 5 . 1 1 54 54 LYS N N 54 127.065 127.065 119.087 7.978 19288 2015 1 5 . 1 1 54 54 LYS HA H 54 3.771 3.771 3.914 -0.143 19288 2016 1 5 . 1 1 54 54 LYS C C 54 176.035 176.035 179.063 -3.028 19288 2017 1 5 . 1 1 54 54 LYS CA C 54 59.833 59.833 58.876 0.957 19288 2018 1 5 . 1 1 54 54 LYS CB C 54 32.087 32.087 31.080 1.007 19288 2019 1 5 . 1 1 54 54 LYS H H 54 9.132 9.132 8.261 0.871 19288 2020 1 5 . 1 1 55 55 ALA N N 55 120.230 120.230 120.258 -0.028 19288 2021 1 5 . 1 1 55 55 ALA HA H 55 4.135 4.135 4.299 -0.164 19288 2022 1 5 . 1 1 55 55 ALA C C 55 176.728 176.728 179.680 -2.952 19288 2023 1 5 . 1 1 55 55 ALA CA C 55 55.456 55.456 54.450 1.006 19288 2024 1 5 . 1 1 55 55 ALA CB C 55 18.224 18.224 18.719 -0.495 19288 2025 1 5 . 1 1 55 55 ALA H H 55 9.016 9.016 7.032 1.984 19288 2026 1 5 . 1 1 56 56 SER N N 56 112.225 112.225 115.627 -3.402 19288 2027 1 5 . 1 1 56 56 SER HA H 56 4.509 4.509 4.333 0.176 19288 2028 1 5 . 1 1 56 56 SER C C 56 178.309 178.309 176.230 2.079 19288 2029 1 5 . 1 1 56 56 SER CA C 56 61.172 61.172 60.521 0.651 19288 2030 1 5 . 1 1 56 56 SER CB C 56 62.925 62.925 63.191 -0.266 19288 2031 1 5 . 1 1 56 56 SER H H 56 7.097 7.097 7.868 -0.771 19288 2032 1 5 . 1 1 57 57 LEU N N 57 126.317 126.317 119.027 7.290 19288 2033 1 5 . 1 1 57 57 LEU HA H 57 4.327 4.327 4.138 0.189 19288 2034 1 5 . 1 1 57 57 LEU C C 57 180.642 180.642 176.276 4.366 19288 2035 1 5 . 1 1 57 57 LEU CA C 57 58.038 58.038 55.840 2.198 19288 2036 1 5 . 1 1 57 57 LEU CB C 57 41.443 41.443 42.409 -0.966 19288 2037 1 5 . 1 1 57 57 LEU H H 57 7.667 7.667 7.798 -0.131 19288 2038 1 5 . 1 1 58 58 ASN N N 58 118.325 118.325 114.692 3.633 19288 2039 1 5 . 1 1 58 58 ASN HA H 58 4.364 4.364 4.652 -0.288 19288 2040 1 5 . 1 1 58 58 ASN C C 58 176.770 176.770 175.827 0.943 19288 2041 1 5 . 1 1 58 58 ASN CA C 58 56.457 56.457 53.657 2.800 19288 2042 1 5 . 1 1 58 58 ASN CB C 58 37.852 37.852 38.119 -0.267 19288 2043 1 5 . 1 1 58 58 ASN H H 58 8.533 8.533 7.712 0.821 19288 2044 1 5 . 1 1 59 59 TRP N N 59 119.802 119.802 124.329 -4.527 19288 2045 1 5 . 1 1 59 59 TRP HA H 59 4.349 4.349 4.394 -0.045 19288 2046 1 5 . 1 1 59 59 TRP C C 59 178.160 178.160 176.382 1.778 19288 2047 1 5 . 1 1 59 59 TRP CA C 59 60.432 60.432 58.720 1.712 19288 2048 1 5 . 1 1 59 59 TRP CB C 59 29.304 29.304 29.192 0.112 19288 2049 1 5 . 1 1 59 59 TRP H H 59 7.914 7.914 8.776 -0.862 19288 2050 1 5 . 1 1 60 60 HIS N N 60 119.175 119.175 117.375 1.800 19288 2051 1 5 . 1 1 60 60 HIS HA H 60 3.675 3.675 4.390 -0.715 19288 2052 1 5 . 1 1 60 60 HIS C C 60 174.721 174.721 174.498 0.223 19288 2053 1 5 . 1 1 60 60 HIS CA C 60 60.038 60.038 56.525 3.513 19288 2054 1 5 . 1 1 60 60 HIS CB C 60 28.143 28.143 31.099 -2.956 19288 2055 1 5 . 1 1 60 60 HIS H H 60 8.131 8.131 7.481 0.650 19288 2056 1 5 . 1 1 61 61 MET N N 61 114.602 114.602 118.070 -3.468 19288 2057 1 5 . 1 1 61 61 MET HA H 61 4.127 4.127 4.816 -0.689 19288 2058 1 5 . 1 1 61 61 MET C C 61 178.337 178.337 175.782 2.555 19288 2059 1 5 . 1 1 61 61 MET CA C 61 57.177 57.177 54.113 3.064 19288 2060 1 5 . 1 1 61 61 MET CB C 61 30.085 30.085 31.791 -1.706 19288 2061 1 5 . 1 1 61 61 MET H H 61 8.448 8.448 7.867 0.581 19288 2062 1 5 . 1 1 62 62 LYS N N 62 118.858 118.858 122.082 -3.224 19288 2063 1 5 . 1 1 62 62 LYS HA H 62 3.998 3.998 3.908 0.090 19288 2064 1 5 . 1 1 62 62 LYS C C 62 176.716 176.716 176.440 0.276 19288 2065 1 5 . 1 1 62 62 LYS CA C 62 58.512 58.512 59.052 -0.540 19288 2066 1 5 . 1 1 62 62 LYS CB C 62 31.694 31.694 33.050 -1.356 19288 2067 1 5 . 1 1 62 62 LYS H H 62 7.285 7.285 8.655 -1.370 19288 2068 1 5 . 1 1 63 63 LYS N N 63 117.683 117.683 117.507 0.176 19288 2069 1 5 . 1 1 63 63 LYS HA H 63 3.793 3.793 4.595 -0.802 19288 2070 1 5 . 1 1 63 63 LYS C C 63 179.150 179.150 174.903 4.247 19288 2071 1 5 . 1 1 63 63 LYS CA C 63 57.827 57.827 54.898 2.929 19288 2072 1 5 . 1 1 63 63 LYS CB C 63 31.272 31.272 35.085 -3.813 19288 2073 1 5 . 1 1 63 63 LYS H H 63 7.516 7.516 7.544 -0.028 19288 2074 1 5 . 1 1 64 64 HIS N N 64 115.200 115.200 120.814 -5.614 19288 2075 1 5 . 1 1 64 64 HIS HA H 64 4.708 4.708 4.834 -0.126 19288 2076 1 5 . 1 1 64 64 HIS C C 64 178.727 178.727 173.557 5.170 19288 2077 1 5 . 1 1 64 64 HIS CA C 64 55.628 55.628 55.031 0.597 19288 2078 1 5 . 1 1 64 64 HIS CB C 64 28.782 28.782 32.998 -4.216 19288 2079 1 5 . 1 1 64 64 HIS H H 64 7.155 7.155 8.516 -1.361 19288 2080 1 5 . 1 1 65 65 ASP N N 65 120.441 120.441 123.212 -2.771 19288 2081 1 5 . 1 1 65 65 ASP HA H 65 4.503 4.503 4.856 -0.353 19288 2082 1 5 . 1 1 65 65 ASP C C 65 177.648 177.648 176.336 1.312 19288 2083 1 5 . 1 1 65 65 ASP CA C 65 55.296 55.296 53.297 2.000 19288 2084 1 5 . 1 1 65 65 ASP CB C 65 41.122 41.122 41.465 -0.343 19288 2085 1 5 . 1 1 65 65 ASP H H 65 7.653 7.653 8.696 -1.043 19288 2086 1 5 . 1 1 66 66 ALA N N 66 123.184 123.184 129.735 -6.551 19288 2087 1 5 . 1 1 66 66 ALA HA H 66 4.141 4.141 4.164 -0.023 19288 2088 1 5 . 1 1 66 66 ALA C C 66 175.172 175.172 178.715 -3.543 19288 2089 1 5 . 1 1 66 66 ALA CA C 66 53.693 53.693 54.516 -0.823 19288 2090 1 5 . 1 1 66 66 ALA CB C 66 19.049 19.049 18.916 0.133 19288 2091 1 5 . 1 1 66 66 ALA H H 66 8.088 8.088 8.613 -0.525 19288 2092 1 5 . 1 1 67 67 ASP N N 67 117.608 117.608 119.606 -1.998 19288 2093 1 5 . 1 1 67 67 ASP HA H 67 4.175 4.175 4.471 -0.296 19288 2094 1 5 . 1 1 67 67 ASP C C 67 176.687 176.687 176.519 0.168 19288 2095 1 5 . 1 1 67 67 ASP CA C 67 54.842 54.842 55.540 -0.698 19288 2096 1 5 . 1 1 67 67 ASP CB C 67 40.957 40.957 41.354 -0.397 19288 2097 1 5 . 1 1 67 67 ASP H H 67 7.999 7.999 8.271 -0.272 19288 2098 1 5 . 1 1 68 68 SER N N 68 114.794 114.794 112.460 2.334 19288 2099 1 5 . 1 1 68 68 SER HA H 68 4.145 4.145 4.796 -0.651 19288 2100 1 5 . 1 1 68 68 SER C C 68 178.056 178.056 174.387 3.669 19288 2101 1 5 . 1 1 68 68 SER CA C 68 59.397 59.397 56.443 2.954 19288 2102 1 5 . 1 1 68 68 SER CB C 68 63.682 63.682 65.104 -1.422 19288 2103 1 5 . 1 1 68 68 SER H H 68 7.797 7.797 7.814 -0.017 19288 2104 1 5 . 1 1 69 69 PHE N N 69 120.277 120.277 121.754 -1.477 19288 2105 1 5 . 1 1 69 69 PHE HA H 69 4.474 4.474 4.438 0.036 19288 2106 1 5 . 1 1 69 69 PHE C C 69 176.959 176.959 174.369 2.590 19288 2107 1 5 . 1 1 69 69 PHE CA C 69 58.048 58.048 58.164 -0.116 19288 2108 1 5 . 1 1 69 69 PHE H H 69 7.850 7.850 8.415 -0.565 19288 2109 1 5 . 1 1 70 70 TYR N N 70 121.023 121.023 119.696 1.327 19288 2110 1 5 . 1 1 70 70 TYR HA H 70 4.494 4.494 3.971 0.523 19288 2111 1 5 . 1 1 70 70 TYR C C 70 174.330 174.330 174.593 -0.263 19288 2112 1 5 . 1 1 70 70 TYR CA C 70 56.491 56.491 57.431 -0.940 19288 2113 1 5 . 1 1 70 70 TYR CB C 70 37.727 37.727 39.196 -1.469 19288 2114 1 5 . 1 1 70 70 TYR H H 70 7.818 7.818 7.971 -0.153 19288 2115 1 5 . 1 1 71 71 GLN N N 71 119.046 119.046 118.189 0.857 19288 2116 1 5 . 1 1 71 71 GLN HA H 71 4.085 4.085 4.222 -0.137 19288 2117 1 5 . 1 1 71 71 GLN C C 71 175.830 175.830 174.409 1.421 19288 2118 1 5 . 1 1 71 71 GLN CA C 71 56.485 56.485 56.568 -0.083 19288 2119 1 5 . 1 1 71 71 GLN CB C 71 30.291 30.291 25.978 4.313 19288 2120 1 5 . 1 1 71 71 GLN H H 71 8.352 8.352 7.944 0.408 19288 2121 1 5 . 1 1 72 72 PHE N N 72 117.779 117.779 119.809 -2.030 19288 2122 1 5 . 1 1 72 72 PHE HA H 72 4.850 4.850 4.809 0.041 19288 2123 1 5 . 1 1 72 72 PHE C C 72 176.323 176.323 176.067 0.256 19288 2124 1 5 . 1 1 72 72 PHE CA C 72 57.157 57.157 56.003 1.154 19288 2125 1 5 . 1 1 72 72 PHE CB C 72 41.106 41.106 42.543 -1.437 19288 2126 1 5 . 1 1 72 72 PHE H H 72 7.901 7.901 7.750 0.151 19288 2127 1 5 . 1 1 73 73 SER N N 73 114.707 114.707 117.514 -2.807 19288 2128 1 5 . 1 1 73 73 SER HA H 73 5.469 5.469 4.434 1.035 19288 2129 1 5 . 1 1 73 73 SER C C 73 175.151 175.151 174.400 0.751 19288 2130 1 5 . 1 1 73 73 SER CA C 73 57.026 57.026 59.235 -2.209 19288 2131 1 5 . 1 1 73 73 SER CB C 73 65.963 65.963 64.092 1.871 19288 2132 1 5 . 1 1 73 73 SER H H 73 8.744 8.744 8.944 -0.200 19288 2133 1 5 . 1 1 74 74 CYS N N 74 124.143 124.143 118.231 5.912 19288 2134 1 5 . 1 1 74 74 CYS HA H 74 4.391 4.391 4.779 -0.388 19288 2135 1 5 . 1 1 74 74 CYS C C 74 174.848 174.848 175.801 -0.953 19288 2136 1 5 . 1 1 74 74 CYS CA C 74 59.743 59.743 58.095 1.648 19288 2137 1 5 . 1 1 74 74 CYS CB C 74 30.581 30.581 29.089 1.492 19288 2138 1 5 . 1 1 74 74 CYS H H 74 9.154 9.154 7.891 1.263 19288 2139 1 5 . 1 1 75 75 ASN HA H 75 4.501 4.501 4.404 0.097 19288 2140 1 5 . 1 1 75 75 ASN C C 75 173.664 173.664 176.865 -3.201 19288 2141 1 5 . 1 1 75 75 ASN CA C 75 55.316 55.316 56.317 -1.001 19288 2142 1 5 . 1 1 75 75 ASN CB C 75 36.774 36.774 38.049 -1.275 19288 2143 1 5 . 1 1 76 76 ILE N N 76 123.143 123.143 119.696 3.447 19288 2144 1 5 . 1 1 76 76 ILE HA H 76 3.908 3.908 3.916 -0.008 19288 2145 1 5 . 1 1 76 76 ILE CA C 76 63.223 63.223 64.790 -1.567 19288 2146 1 5 . 1 1 76 76 ILE CB C 76 38.269 38.269 37.429 0.840 19288 2147 1 5 . 1 1 76 76 ILE H H 76 8.921 8.921 8.468 0.453 19288 2148 1 5 . 1 1 77 77 CYS N N 77 116.298 116.298 119.140 -2.842 19288 2149 1 5 . 1 1 77 77 CYS HA H 77 5.159 5.159 3.888 1.271 19288 2150 1 5 . 1 1 77 77 CYS C C 77 174.401 174.401 176.300 -1.899 19288 2151 1 5 . 1 1 77 77 CYS CA C 77 58.394 58.394 61.342 -2.948 19288 2152 1 5 . 1 1 77 77 CYS CB C 77 32.743 32.743 27.099 5.644 19288 2153 1 5 . 1 1 77 77 CYS H H 77 8.243 8.243 7.489 0.754 19288 2154 1 5 . 1 1 78 78 GLY N N 78 113.607 113.607 111.586 2.021 19288 2155 1 5 . 1 1 78 78 GLY C C 78 176.862 176.862 176.239 0.623 19288 2156 1 5 . 1 1 78 78 GLY CA C 78 46.321 46.321 49.506 -3.185 19288 2157 1 5 . 1 1 78 78 GLY H H 78 8.060 8.060 7.331 0.729 19288 2158 1 5 . 1 1 79 79 LYS N N 79 123.134 123.134 120.093 3.041 19288 2159 1 5 . 1 1 79 79 LYS HA H 79 3.950 3.950 3.793 0.157 19288 2160 1 5 . 1 1 79 79 LYS C C 79 176.484 176.484 178.075 -1.591 19288 2161 1 5 . 1 1 79 79 LYS CA C 79 58.342 58.342 60.759 -2.417 19288 2162 1 5 . 1 1 79 79 LYS CB C 79 33.770 33.770 31.579 2.191 19288 2163 1 5 . 1 1 79 79 LYS H H 79 7.977 7.977 8.002 -0.025 19288 2164 1 5 . 1 1 80 80 LYS N N 80 121.440 121.440 119.776 1.664 19288 2165 1 5 . 1 1 80 80 LYS HA H 80 4.884 4.884 3.963 0.921 19288 2166 1 5 . 1 1 80 80 LYS C C 80 173.961 173.961 178.436 -4.475 19288 2167 1 5 . 1 1 80 80 LYS CA C 80 55.524 55.524 59.468 -3.944 19288 2168 1 5 . 1 1 80 80 LYS CB C 80 35.024 35.024 31.484 3.540 19288 2169 1 5 . 1 1 80 80 LYS H H 80 7.918 7.918 7.499 0.419 19288 2170 1 5 . 1 1 81 81 PHE N N 81 116.724 116.724 119.872 -3.148 19288 2171 1 5 . 1 1 81 81 PHE HA H 81 4.598 4.598 4.281 0.317 19288 2172 1 5 . 1 1 81 81 PHE C C 81 174.541 174.541 178.049 -3.508 19288 2173 1 5 . 1 1 81 81 PHE CA C 81 57.359 57.359 61.993 -4.634 19288 2174 1 5 . 1 1 81 81 PHE CB C 81 44.738 44.738 39.309 5.429 19288 2175 1 5 . 1 1 81 81 PHE H H 81 8.725 8.725 7.920 0.805 19288 2176 1 5 . 1 1 82 82 GLU N N 82 120.474 120.474 119.650 0.824 19288 2177 1 5 . 1 1 82 82 GLU HA H 82 4.155 4.155 4.218 -0.063 19288 2178 1 5 . 1 1 82 82 GLU C C 82 175.832 175.832 178.944 -3.112 19288 2179 1 5 . 1 1 82 82 GLU CA C 82 57.900 57.900 59.826 -1.926 19288 2180 1 5 . 1 1 82 82 GLU CB C 82 30.829 30.829 29.747 1.082 19288 2181 1 5 . 1 1 82 82 GLU H H 82 8.775 8.775 8.215 0.560 19288 2182 1 5 . 1 1 83 83 LYS N N 83 114.607 114.607 116.440 -1.833 19288 2183 1 5 . 1 1 83 83 LYS HA H 83 4.607 4.607 4.195 0.412 19288 2184 1 5 . 1 1 83 83 LYS C C 83 174.585 174.585 177.403 -2.818 19288 2185 1 5 . 1 1 83 83 LYS CA C 83 54.369 54.369 58.809 -4.440 19288 2186 1 5 . 1 1 83 83 LYS CB C 83 35.540 35.540 32.140 3.400 19288 2187 1 5 . 1 1 83 83 LYS H H 83 7.547 7.547 7.898 -0.351 19288 2188 1 5 . 1 1 84 84 LYS N N 84 124.921 124.921 116.570 8.351 19288 2189 1 5 . 1 1 84 84 LYS HA H 84 3.073 3.073 4.283 -1.210 19288 2190 1 5 . 1 1 84 84 LYS C C 84 176.545 176.545 178.036 -1.491 19288 2191 1 5 . 1 1 84 84 LYS CA C 84 59.680 59.680 58.033 1.647 19288 2192 1 5 . 1 1 84 84 LYS CB C 84 31.920 31.920 32.910 -0.990 19288 2193 1 5 . 1 1 84 84 LYS H H 84 8.162 8.162 7.499 0.663 19288 2194 1 5 . 1 1 85 85 ASP N N 85 116.468 116.468 117.880 -1.412 19288 2195 1 5 . 1 1 85 85 ASP HA H 85 4.192 4.192 4.430 -0.238 19288 2196 1 5 . 1 1 85 85 ASP C C 85 176.385 176.385 175.612 0.773 19288 2197 1 5 . 1 1 85 85 ASP CA C 85 56.789 56.789 55.194 1.595 19288 2198 1 5 . 1 1 85 85 ASP CB C 85 39.780 39.780 41.748 -1.968 19288 2199 1 5 . 1 1 85 85 ASP H H 85 8.682 8.682 8.093 0.589 19288 2200 1 5 . 1 1 86 86 SER N N 86 114.601 114.601 116.809 -2.208 19288 2201 1 5 . 1 1 86 86 SER HA H 86 4.183 4.183 4.884 -0.701 19288 2202 1 5 . 1 1 86 86 SER C C 86 179.169 179.169 172.239 6.930 19288 2203 1 5 . 1 1 86 86 SER CA C 86 60.939 60.939 54.820 6.119 19288 2204 1 5 . 1 1 86 86 SER CB C 86 62.823 62.823 64.236 -1.413 19288 2205 1 5 . 1 1 86 86 SER H H 86 7.200 7.200 7.799 -0.599 19288 2206 1 5 . 1 1 87 87 VAL HA H 87 2.698 2.698 4.092 -1.394 19288 2207 1 5 . 1 1 87 87 VAL C C 87 178.806 178.806 174.936 3.870 19288 2208 1 5 . 1 1 87 87 VAL CA C 87 66.028 66.028 62.370 3.658 19288 2209 1 5 . 1 1 87 87 VAL CB C 87 31.461 31.461 31.077 0.384 19288 2210 1 5 . 1 1 88 88 VAL N N 88 120.424 120.424 123.074 -2.650 19288 2211 1 5 . 1 1 88 88 VAL HA H 88 3.485 3.485 4.410 -0.925 19288 2212 1 5 . 1 1 88 88 VAL C C 88 176.208 176.208 175.038 1.170 19288 2213 1 5 . 1 1 88 88 VAL CA C 88 66.735 66.735 61.170 5.565 19288 2214 1 5 . 1 1 88 88 VAL CB C 88 31.948 31.948 32.429 -0.481 19288 2215 1 5 . 1 1 88 88 VAL H H 88 7.190 7.190 8.129 -0.939 19288 2216 1 6 . 1 1 10 10 HIS HA H 10 4.620 4.620 4.871 -0.251 19288 2217 1 6 . 1 1 10 10 HIS CA C 10 56.302 56.302 55.315 0.987 19288 2218 1 6 . 1 1 10 10 HIS CB C 10 30.312 30.312 32.330 -2.018 19288 2219 1 6 . 1 1 11 11 MET N N 11 121.464 121.464 124.274 -2.810 19288 2220 1 6 . 1 1 11 11 MET HA H 11 4.387 4.387 4.846 -0.459 19288 2221 1 6 . 1 1 11 11 MET CA C 11 55.835 55.835 55.395 0.440 19288 2222 1 6 . 1 1 11 11 MET CB C 11 32.794 32.794 34.319 -1.525 19288 2223 1 6 . 1 1 11 11 MET H H 11 8.178 8.178 8.487 -0.309 19288 2224 1 6 . 1 1 12 12 ARG N N 12 121.614 121.614 122.476 -0.862 19288 2225 1 6 . 1 1 12 12 ARG HA H 12 4.244 4.244 4.279 -0.035 19288 2226 1 6 . 1 1 12 12 ARG CA C 12 55.802 55.802 57.808 -2.006 19288 2227 1 6 . 1 1 12 12 ARG CB C 12 31.110 31.110 30.587 0.523 19288 2228 1 6 . 1 1 12 12 ARG H H 12 8.209 8.209 8.572 -0.363 19288 2229 1 6 . 1 1 13 13 ASP N N 13 119.634 119.634 118.725 0.909 19288 2230 1 6 . 1 1 13 13 ASP HA H 13 4.667 4.667 4.704 -0.037 19288 2231 1 6 . 1 1 13 13 ASP C C 13 175.723 175.723 173.805 1.918 19288 2232 1 6 . 1 1 13 13 ASP CA C 13 54.112 54.112 53.748 0.364 19288 2233 1 6 . 1 1 13 13 ASP CB C 13 42.459 42.459 42.340 0.119 19288 2234 1 6 . 1 1 13 13 ASP H H 13 7.858 7.858 7.693 0.165 19288 2235 1 6 . 1 1 14 14 TYR N N 14 120.932 120.932 120.749 0.183 19288 2236 1 6 . 1 1 14 14 TYR HA H 14 4.534 4.534 4.712 -0.178 19288 2237 1 6 . 1 1 14 14 TYR C C 14 174.767 174.767 175.904 -1.137 19288 2238 1 6 . 1 1 14 14 TYR CA C 14 57.521 57.521 57.943 -0.422 19288 2239 1 6 . 1 1 14 14 TYR CB C 14 38.608 38.608 41.890 -3.282 19288 2240 1 6 . 1 1 14 14 TYR H H 14 8.676 8.676 8.592 0.084 19288 2241 1 6 . 1 1 15 15 ILE N N 15 124.585 124.585 123.942 0.643 19288 2242 1 6 . 1 1 15 15 ILE HA H 15 4.714 4.714 4.311 0.403 19288 2243 1 6 . 1 1 15 15 ILE C C 15 175.178 175.178 174.967 0.211 19288 2244 1 6 . 1 1 15 15 ILE CA C 15 59.647 59.647 62.029 -2.382 19288 2245 1 6 . 1 1 15 15 ILE CB C 15 39.969 39.969 38.449 1.520 19288 2246 1 6 . 1 1 15 15 ILE H H 15 8.479 8.479 8.702 -0.223 19288 2247 1 6 . 1 1 16 16 CYS N N 16 129.411 129.411 116.646 12.765 19288 2248 1 6 . 1 1 16 16 CYS HA H 16 4.334 4.334 4.789 -0.455 19288 2249 1 6 . 1 1 16 16 CYS C C 16 174.675 174.675 175.576 -0.901 19288 2250 1 6 . 1 1 16 16 CYS CA C 16 61.303 61.303 57.908 3.395 19288 2251 1 6 . 1 1 16 16 CYS CB C 16 30.233 30.233 30.788 -0.555 19288 2252 1 6 . 1 1 16 16 CYS H H 16 9.141 9.141 7.728 1.413 19288 2253 1 6 . 1 1 17 17 GLU N N 17 133.830 133.830 125.095 8.735 19288 2254 1 6 . 1 1 17 17 GLU HA H 17 4.200 4.200 3.832 0.368 19288 2255 1 6 . 1 1 17 17 GLU C C 17 175.826 175.826 178.221 -2.395 19288 2256 1 6 . 1 1 17 17 GLU CA C 17 58.616 58.616 59.397 -0.781 19288 2257 1 6 . 1 1 17 17 GLU CB C 17 28.133 28.133 29.040 -0.907 19288 2258 1 6 . 1 1 17 17 GLU H H 17 10.744 10.744 9.062 1.682 19288 2259 1 6 . 1 1 18 18 TYR N N 18 121.850 121.850 122.011 -0.161 19288 2260 1 6 . 1 1 18 18 TYR HA H 18 4.316 4.316 4.345 -0.029 19288 2261 1 6 . 1 1 18 18 TYR C C 18 176.782 176.782 177.998 -1.216 19288 2262 1 6 . 1 1 18 18 TYR CA C 18 60.371 60.371 61.666 -1.296 19288 2263 1 6 . 1 1 18 18 TYR CB C 18 37.374 37.374 38.525 -1.151 19288 2264 1 6 . 1 1 18 18 TYR H H 18 9.190 9.190 8.476 0.714 19288 2265 1 6 . 1 1 19 19 CYS N N 19 116.138 116.138 118.546 -2.408 19288 2266 1 6 . 1 1 19 19 CYS HA H 19 5.111 5.111 4.202 0.909 19288 2267 1 6 . 1 1 19 19 CYS C C 19 176.019 176.019 177.281 -1.262 19288 2268 1 6 . 1 1 19 19 CYS CA C 19 58.721 58.721 61.557 -2.836 19288 2269 1 6 . 1 1 19 19 CYS CB C 19 32.573 32.573 27.500 5.073 19288 2270 1 6 . 1 1 19 19 CYS H H 19 7.999 7.999 7.955 0.044 19288 2271 1 6 . 1 1 20 20 ALA N N 20 122.058 122.058 122.693 -0.635 19288 2272 1 6 . 1 1 20 20 ALA HA H 20 4.140 4.140 3.481 0.659 19288 2273 1 6 . 1 1 20 20 ALA C C 20 177.014 177.014 178.292 -1.278 19288 2274 1 6 . 1 1 20 20 ALA CA C 20 54.584 54.584 55.421 -0.837 19288 2275 1 6 . 1 1 20 20 ALA CB C 20 17.127 17.127 18.710 -1.583 19288 2276 1 6 . 1 1 20 20 ALA H H 20 8.067 8.067 7.666 0.401 19288 2277 1 6 . 1 1 21 21 ARG N N 21 121.286 121.286 118.525 2.761 19288 2278 1 6 . 1 1 21 21 ARG HA H 21 4.003 4.003 4.002 0.001 19288 2279 1 6 . 1 1 21 21 ARG C C 21 175.133 175.133 178.502 -3.369 19288 2280 1 6 . 1 1 21 21 ARG CA C 21 58.236 58.236 59.024 -0.788 19288 2281 1 6 . 1 1 21 21 ARG CB C 21 31.677 31.677 29.296 2.381 19288 2282 1 6 . 1 1 21 21 ARG H H 21 7.947 7.947 7.813 0.134 19288 2283 1 6 . 1 1 22 22 ALA N N 22 123.966 123.966 121.480 2.486 19288 2284 1 6 . 1 1 22 22 ALA HA H 22 5.008 5.008 3.707 1.301 19288 2285 1 6 . 1 1 22 22 ALA C C 22 175.750 175.750 179.015 -3.265 19288 2286 1 6 . 1 1 22 22 ALA CA C 22 50.811 50.811 56.764 -5.952 19288 2287 1 6 . 1 1 22 22 ALA CB C 22 21.928 21.928 18.542 3.386 19288 2288 1 6 . 1 1 22 22 ALA H H 22 7.968 7.968 7.606 0.361 19288 2289 1 6 . 1 1 23 23 PHE N N 23 118.728 118.728 120.063 -1.335 19288 2290 1 6 . 1 1 23 23 PHE HA H 23 4.678 4.678 4.154 0.524 19288 2291 1 6 . 1 1 23 23 PHE C C 23 173.852 173.852 177.997 -4.145 19288 2292 1 6 . 1 1 23 23 PHE CA C 23 57.367 57.367 61.693 -4.326 19288 2293 1 6 . 1 1 23 23 PHE CB C 23 43.458 43.458 39.166 4.292 19288 2294 1 6 . 1 1 23 23 PHE H H 23 9.004 9.004 7.629 1.375 19288 2295 1 6 . 1 1 24 24 LYS N N 24 119.176 119.176 117.239 1.937 19288 2296 1 6 . 1 1 24 24 LYS HA H 24 4.709 4.709 4.323 0.386 19288 2297 1 6 . 1 1 24 24 LYS C C 24 176.934 176.934 178.189 -1.255 19288 2298 1 6 . 1 1 24 24 LYS CA C 24 56.482 56.482 58.687 -2.205 19288 2299 1 6 . 1 1 24 24 LYS CB C 24 33.111 33.111 32.133 0.978 19288 2300 1 6 . 1 1 24 24 LYS H H 24 9.211 9.211 8.308 0.903 19288 2301 1 6 . 1 1 25 25 SER N N 25 110.950 110.950 115.242 -4.292 19288 2302 1 6 . 1 1 25 25 SER HA H 25 4.566 4.566 4.303 0.263 19288 2303 1 6 . 1 1 25 25 SER C C 25 175.671 175.671 176.063 -0.392 19288 2304 1 6 . 1 1 25 25 SER CA C 25 55.683 55.683 60.976 -5.293 19288 2305 1 6 . 1 1 25 25 SER CB C 25 66.490 66.490 63.468 3.022 19288 2306 1 6 . 1 1 25 25 SER H H 25 7.474 7.474 7.289 0.185 19288 2307 1 6 . 1 1 26 26 SER N N 26 119.411 119.411 114.372 5.039 19288 2308 1 6 . 1 1 26 26 SER C C 26 176.269 176.269 176.386 -0.117 19288 2309 1 6 . 1 1 26 26 SER CA C 26 60.616 60.616 60.750 -0.134 19288 2310 1 6 . 1 1 26 26 SER CB C 26 61.758 61.758 61.223 0.535 19288 2311 1 6 . 1 1 26 26 SER H H 26 8.487 8.487 7.485 1.002 19288 2312 1 6 . 1 1 27 27 HIS HA H 27 4.258 4.258 4.193 0.065 19288 2313 1 6 . 1 1 27 27 HIS C C 27 173.658 173.658 176.312 -2.654 19288 2314 1 6 . 1 1 27 27 HIS CA C 27 59.581 59.581 59.025 0.556 19288 2315 1 6 . 1 1 27 27 HIS CB C 27 29.913 29.913 29.481 0.432 19288 2316 1 6 . 1 1 28 28 ASN N N 28 117.126 117.126 112.659 4.467 19288 2317 1 6 . 1 1 28 28 ASN HA H 28 4.216 4.216 4.689 -0.473 19288 2318 1 6 . 1 1 28 28 ASN CA C 28 55.547 55.547 53.331 2.216 19288 2319 1 6 . 1 1 28 28 ASN CB C 28 37.634 37.634 37.477 0.156 19288 2320 1 6 . 1 1 28 28 ASN H H 28 7.681 7.681 7.672 0.009 19288 2321 1 6 . 1 1 29 29 LEU N N 29 121.121 121.121 122.079 -0.958 19288 2322 1 6 . 1 1 29 29 LEU HA H 29 3.177 3.177 4.092 -0.915 19288 2323 1 6 . 1 1 29 29 LEU C C 29 176.205 176.205 176.340 -0.135 19288 2324 1 6 . 1 1 29 29 LEU CA C 29 57.893 57.893 54.762 3.131 19288 2325 1 6 . 1 1 29 29 LEU H H 29 7.300 7.300 7.546 -0.246 19288 2326 1 6 . 1 1 30 30 ALA N N 30 122.058 122.058 121.707 0.351 19288 2327 1 6 . 1 1 30 30 ALA HA H 30 3.917 3.917 4.356 -0.439 19288 2328 1 6 . 1 1 30 30 ALA C C 30 178.363 178.363 176.876 1.487 19288 2329 1 6 . 1 1 30 30 ALA CA C 30 55.487 55.487 50.948 4.539 19288 2330 1 6 . 1 1 30 30 ALA CB C 30 17.947 17.947 19.790 -1.843 19288 2331 1 6 . 1 1 30 30 ALA H H 30 7.987 7.987 7.932 0.055 19288 2332 1 6 . 1 1 31 31 VAL N N 31 116.442 116.442 120.341 -3.899 19288 2333 1 6 . 1 1 31 31 VAL HA H 31 3.556 3.556 4.162 -0.606 19288 2334 1 6 . 1 1 31 31 VAL C C 31 176.352 176.352 175.010 1.342 19288 2335 1 6 . 1 1 31 31 VAL CA C 31 65.936 65.936 60.661 5.275 19288 2336 1 6 . 1 1 31 31 VAL CB C 31 32.281 32.281 31.204 1.077 19288 2337 1 6 . 1 1 31 31 VAL H H 31 7.636 7.636 7.555 0.081 19288 2338 1 6 . 1 1 32 32 HIS HA H 32 4.125 4.125 4.572 -0.447 19288 2339 1 6 . 1 1 32 32 HIS C C 32 180.696 180.696 174.355 6.341 19288 2340 1 6 . 1 1 32 32 HIS CA C 32 59.377 59.377 56.400 2.977 19288 2341 1 6 . 1 1 32 32 HIS CB C 32 28.332 28.332 30.435 -2.103 19288 2342 1 6 . 1 1 33 33 ARG N N 33 115.795 115.795 120.168 -4.373 19288 2343 1 6 . 1 1 33 33 ARG HA H 33 3.658 3.658 4.694 -1.036 19288 2344 1 6 . 1 1 33 33 ARG C C 33 178.735 178.735 174.384 4.351 19288 2345 1 6 . 1 1 33 33 ARG CA C 33 60.012 60.012 55.454 4.558 19288 2346 1 6 . 1 1 33 33 ARG CB C 33 31.144 31.144 31.000 0.144 19288 2347 1 6 . 1 1 33 33 ARG H H 33 8.633 8.633 7.828 0.805 19288 2348 1 6 . 1 1 34 34 MET N N 34 115.672 115.672 120.412 -4.740 19288 2349 1 6 . 1 1 34 34 MET HA H 34 4.211 4.211 5.352 -1.141 19288 2350 1 6 . 1 1 34 34 MET C C 34 176.427 176.427 175.817 0.610 19288 2351 1 6 . 1 1 34 34 MET CA C 34 57.866 57.866 53.526 4.340 19288 2352 1 6 . 1 1 34 34 MET CB C 34 32.221 32.221 36.410 -4.189 19288 2353 1 6 . 1 1 34 34 MET H H 34 7.057 7.057 8.473 -1.416 19288 2354 1 6 . 1 1 35 35 ILE N N 35 116.381 116.381 127.075 -10.694 19288 2355 1 6 . 1 1 35 35 ILE HA H 35 3.904 3.904 4.388 -0.484 19288 2356 1 6 . 1 1 35 35 ILE C C 35 177.504 177.504 175.354 2.150 19288 2357 1 6 . 1 1 35 35 ILE CA C 35 63.402 63.402 60.204 3.198 19288 2358 1 6 . 1 1 35 35 ILE CB C 35 37.724 37.724 37.747 -0.023 19288 2359 1 6 . 1 1 35 35 ILE H H 35 7.811 7.811 8.958 -1.147 19288 2360 1 6 . 1 1 36 36 HIS N N 36 117.423 117.423 127.928 -10.505 19288 2361 1 6 . 1 1 36 36 HIS HA H 36 4.481 4.481 4.823 -0.342 19288 2362 1 6 . 1 1 36 36 HIS C C 36 178.413 178.413 173.605 4.808 19288 2363 1 6 . 1 1 36 36 HIS CA C 36 55.260 55.260 55.574 -0.314 19288 2364 1 6 . 1 1 36 36 HIS CB C 36 28.066 28.066 28.762 -0.696 19288 2365 1 6 . 1 1 36 36 HIS H H 36 7.247 7.247 8.931 -1.684 19288 2366 1 6 . 1 1 37 37 THR N N 37 110.804 110.804 116.995 -6.191 19288 2367 1 6 . 1 1 37 37 THR HA H 37 4.160 4.160 4.462 -0.302 19288 2368 1 6 . 1 1 37 37 THR C C 37 177.179 177.179 174.272 2.907 19288 2369 1 6 . 1 1 37 37 THR CA C 37 62.791 62.791 62.714 0.077 19288 2370 1 6 . 1 1 37 37 THR CB C 37 69.712 69.712 70.942 -1.230 19288 2371 1 6 . 1 1 37 37 THR H H 37 7.553 7.553 8.110 -0.557 19288 2372 1 6 . 1 1 38 38 GLY N N 38 110.842 110.842 110.604 0.238 19288 2373 1 6 . 1 1 38 38 GLY C C 38 175.821 175.821 175.338 0.483 19288 2374 1 6 . 1 1 38 38 GLY CA C 38 45.403 45.403 43.212 2.191 19288 2375 1 6 . 1 1 38 38 GLY H H 38 8.195 8.195 7.855 0.340 19288 2376 1 6 . 1 1 39 39 GLU N N 39 120.441 120.441 125.837 -5.396 19288 2377 1 6 . 1 1 39 39 GLU HA H 39 4.238 4.238 4.544 -0.306 19288 2378 1 6 . 1 1 39 39 GLU C C 39 175.390 175.390 175.466 -0.076 19288 2379 1 6 . 1 1 39 39 GLU CA C 39 56.572 56.572 56.614 -0.042 19288 2380 1 6 . 1 1 39 39 GLU H H 39 7.953 7.953 8.957 -1.004 19288 2381 1 6 . 1 1 40 40 LYS N N 40 123.624 123.624 127.779 -4.155 19288 2382 1 6 . 1 1 40 40 LYS HA H 40 4.534 4.534 4.419 0.115 19288 2383 1 6 . 1 1 40 40 LYS C C 40 174.124 174.124 174.634 -0.510 19288 2384 1 6 . 1 1 40 40 LYS CA C 40 54.236 54.236 55.441 -1.205 19288 2385 1 6 . 1 1 40 40 LYS CB C 40 32.769 32.769 33.817 -1.048 19288 2386 1 6 . 1 1 40 40 LYS H H 40 8.321 8.321 8.506 -0.185 19288 2387 1 6 . 1 1 41 41 PRO HA H 41 4.404 4.404 5.256 -0.852 19288 2388 1 6 . 1 1 41 41 PRO C C 41 176.103 176.103 176.159 -0.056 19288 2389 1 6 . 1 1 41 41 PRO CA C 41 63.174 63.174 62.056 1.119 19288 2390 1 6 . 1 1 41 41 PRO CB C 41 32.306 32.306 33.497 -1.191 19288 2391 1 6 . 1 1 42 42 LEU N N 42 122.177 122.177 125.989 -3.812 19288 2392 1 6 . 1 1 42 42 LEU HA H 42 4.381 4.381 4.439 -0.058 19288 2393 1 6 . 1 1 42 42 LEU CA C 42 54.626 54.626 52.775 1.851 19288 2394 1 6 . 1 1 42 42 LEU CB C 42 42.719 42.719 45.723 -3.004 19288 2395 1 6 . 1 1 42 42 LEU H H 42 8.293 8.293 9.048 -0.755 19288 2396 1 6 . 1 1 43 43 GLN N N 43 119.188 119.188 120.499 -1.311 19288 2397 1 6 . 1 1 43 43 GLN HA H 43 5.181 5.181 4.211 0.970 19288 2398 1 6 . 1 1 43 43 GLN C C 43 176.325 176.325 174.380 1.945 19288 2399 1 6 . 1 1 43 43 GLN CA C 43 53.898 53.898 56.454 -2.556 19288 2400 1 6 . 1 1 43 43 GLN CB C 43 32.969 32.969 28.819 4.150 19288 2401 1 6 . 1 1 43 43 GLN H H 43 8.180 8.180 8.695 -0.515 19288 2402 1 6 . 1 1 44 44 CYS N N 44 127.346 127.346 115.949 11.397 19288 2403 1 6 . 1 1 44 44 CYS HA H 44 4.453 4.453 4.742 -0.289 19288 2404 1 6 . 1 1 44 44 CYS C C 44 175.677 175.677 174.851 0.826 19288 2405 1 6 . 1 1 44 44 CYS CA C 44 59.437 59.437 57.269 2.168 19288 2406 1 6 . 1 1 44 44 CYS CB C 44 30.721 30.721 30.036 0.685 19288 2407 1 6 . 1 1 44 44 CYS H H 44 9.299 9.299 7.495 1.804 19288 2408 1 6 . 1 1 45 45 GLU N N 45 131.846 131.846 123.317 8.529 19288 2409 1 6 . 1 1 45 45 GLU HA H 45 4.178 4.178 4.023 0.155 19288 2410 1 6 . 1 1 45 45 GLU C C 45 174.655 174.655 177.882 -3.227 19288 2411 1 6 . 1 1 45 45 GLU CA C 45 58.342 58.342 58.940 -0.598 19288 2412 1 6 . 1 1 45 45 GLU CB C 45 29.819 29.819 28.805 1.014 19288 2413 1 6 . 1 1 45 45 GLU H H 45 9.602 9.602 9.051 0.551 19288 2414 1 6 . 1 1 46 46 ILE N N 46 121.898 121.898 119.611 2.287 19288 2415 1 6 . 1 1 46 46 ILE HA H 46 3.840 3.840 3.970 -0.130 19288 2416 1 6 . 1 1 46 46 ILE C C 46 177.404 177.404 178.454 -1.050 19288 2417 1 6 . 1 1 46 46 ILE CA C 46 63.494 63.494 64.267 -0.773 19288 2418 1 6 . 1 1 46 46 ILE CB C 46 38.461 38.461 37.042 1.419 19288 2419 1 6 . 1 1 46 46 ILE H H 46 8.973 8.973 8.525 0.448 19288 2420 1 6 . 1 1 47 47 CYS N N 47 117.274 117.274 118.206 -0.932 19288 2421 1 6 . 1 1 47 47 CYS HA H 47 5.231 5.231 4.381 0.850 19288 2422 1 6 . 1 1 47 47 CYS C C 47 176.087 176.087 176.974 -0.887 19288 2423 1 6 . 1 1 47 47 CYS CA C 47 58.455 58.455 62.562 -4.107 19288 2424 1 6 . 1 1 47 47 CYS CB C 47 33.590 33.590 27.186 6.404 19288 2425 1 6 . 1 1 47 47 CYS H H 47 8.432 8.432 7.874 0.558 19288 2426 1 6 . 1 1 48 48 GLY N N 48 112.655 112.655 108.748 3.907 19288 2427 1 6 . 1 1 48 48 GLY C C 48 177.177 177.177 176.742 0.435 19288 2428 1 6 . 1 1 48 48 GLY CA C 48 46.253 46.253 48.049 -1.796 19288 2429 1 6 . 1 1 48 48 GLY H H 48 8.016 8.016 7.582 0.434 19288 2430 1 6 . 1 1 49 49 PHE N N 49 125.000 125.000 119.325 5.675 19288 2431 1 6 . 1 1 49 49 PHE HA H 49 4.272 4.272 4.131 0.141 19288 2432 1 6 . 1 1 49 49 PHE C C 49 176.313 176.313 178.090 -1.777 19288 2433 1 6 . 1 1 49 49 PHE CA C 49 59.750 59.750 61.000 -1.250 19288 2434 1 6 . 1 1 49 49 PHE CB C 49 41.278 41.278 38.380 2.898 19288 2435 1 6 . 1 1 49 49 PHE H H 49 8.333 8.333 8.232 0.101 19288 2436 1 6 . 1 1 50 50 THR N N 50 118.297 118.297 111.240 7.057 19288 2437 1 6 . 1 1 50 50 THR HA H 50 5.150 5.150 4.286 0.864 19288 2438 1 6 . 1 1 50 50 THR C C 50 173.480 173.480 176.217 -2.737 19288 2439 1 6 . 1 1 50 50 THR CA C 50 59.186 59.186 63.490 -4.304 19288 2440 1 6 . 1 1 50 50 THR CB C 50 71.954 71.954 69.122 2.832 19288 2441 1 6 . 1 1 50 50 THR H H 50 7.336 7.336 7.642 -0.306 19288 2442 1 6 . 1 1 51 51 CYS N N 51 115.101 115.101 120.536 -5.435 19288 2443 1 6 . 1 1 51 51 CYS HA H 51 4.540 4.540 4.137 0.403 19288 2444 1 6 . 1 1 51 51 CYS C C 51 173.381 173.381 176.868 -3.487 19288 2445 1 6 . 1 1 51 51 CYS CA C 51 56.305 56.305 62.478 -6.173 19288 2446 1 6 . 1 1 51 51 CYS CB C 51 30.578 30.578 28.587 1.991 19288 2447 1 6 . 1 1 51 51 CYS H H 51 8.318 8.318 7.676 0.642 19288 2448 1 6 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.141 0.425 19288 2449 1 6 . 1 1 52 52 ARG C C 52 172.494 172.494 177.511 -5.017 19288 2450 1 6 . 1 1 52 52 ARG CA C 52 56.923 56.923 59.743 -2.820 19288 2451 1 6 . 1 1 52 52 ARG CB C 52 31.891 31.891 30.257 1.634 19288 2452 1 6 . 1 1 53 53 GLN N N 53 115.534 115.534 118.483 -2.949 19288 2453 1 6 . 1 1 53 53 GLN HA H 53 4.719 4.719 4.056 0.663 19288 2454 1 6 . 1 1 53 53 GLN CA C 53 54.637 54.637 58.513 -3.876 19288 2455 1 6 . 1 1 53 53 GLN CB C 53 30.904 30.904 28.209 2.695 19288 2456 1 6 . 1 1 53 53 GLN H H 53 7.649 7.649 8.148 -0.499 19288 2457 1 6 . 1 1 54 54 LYS N N 54 127.065 127.065 116.584 10.481 19288 2458 1 6 . 1 1 54 54 LYS HA H 54 3.771 3.771 4.045 -0.274 19288 2459 1 6 . 1 1 54 54 LYS C C 54 176.035 176.035 178.690 -2.655 19288 2460 1 6 . 1 1 54 54 LYS CA C 54 59.833 59.833 57.888 1.945 19288 2461 1 6 . 1 1 54 54 LYS CB C 54 32.087 32.087 31.694 0.393 19288 2462 1 6 . 1 1 54 54 LYS H H 54 9.132 9.132 7.221 1.911 19288 2463 1 6 . 1 1 55 55 ALA N N 55 120.230 120.230 120.796 -0.566 19288 2464 1 6 . 1 1 55 55 ALA HA H 55 4.135 4.135 4.335 -0.200 19288 2465 1 6 . 1 1 55 55 ALA C C 55 176.728 176.728 179.614 -2.886 19288 2466 1 6 . 1 1 55 55 ALA CA C 55 55.456 55.456 53.488 1.968 19288 2467 1 6 . 1 1 55 55 ALA CB C 55 18.224 18.224 18.458 -0.234 19288 2468 1 6 . 1 1 55 55 ALA H H 55 9.016 9.016 7.266 1.750 19288 2469 1 6 . 1 1 56 56 SER N N 56 112.225 112.225 116.518 -4.293 19288 2470 1 6 . 1 1 56 56 SER HA H 56 4.509 4.509 4.298 0.211 19288 2471 1 6 . 1 1 56 56 SER C C 56 178.309 178.309 174.418 3.891 19288 2472 1 6 . 1 1 56 56 SER CA C 56 61.172 61.172 61.226 -0.054 19288 2473 1 6 . 1 1 56 56 SER CB C 56 62.925 62.925 63.356 -0.431 19288 2474 1 6 . 1 1 56 56 SER H H 56 7.097 7.097 7.853 -0.756 19288 2475 1 6 . 1 1 57 57 LEU N N 57 126.317 126.317 114.617 11.700 19288 2476 1 6 . 1 1 57 57 LEU HA H 57 4.327 4.327 4.639 -0.312 19288 2477 1 6 . 1 1 57 57 LEU C C 57 180.642 180.642 175.809 4.833 19288 2478 1 6 . 1 1 57 57 LEU CA C 57 58.038 58.038 54.372 3.666 19288 2479 1 6 . 1 1 57 57 LEU CB C 57 41.443 41.443 41.910 -0.467 19288 2480 1 6 . 1 1 57 57 LEU H H 57 7.667 7.667 7.593 0.074 19288 2481 1 6 . 1 1 58 58 ASN N N 58 118.325 118.325 116.763 1.562 19288 2482 1 6 . 1 1 58 58 ASN HA H 58 4.364 4.364 4.903 -0.539 19288 2483 1 6 . 1 1 58 58 ASN C C 58 176.770 176.770 177.516 -0.746 19288 2484 1 6 . 1 1 58 58 ASN CA C 58 56.457 56.457 53.854 2.603 19288 2485 1 6 . 1 1 58 58 ASN CB C 58 37.852 37.852 40.683 -2.831 19288 2486 1 6 . 1 1 58 58 ASN H H 58 8.533 8.533 7.917 0.616 19288 2487 1 6 . 1 1 59 59 TRP N N 59 119.802 119.802 123.499 -3.697 19288 2488 1 6 . 1 1 59 59 TRP HA H 59 4.349 4.349 4.340 0.009 19288 2489 1 6 . 1 1 59 59 TRP C C 59 178.160 178.160 177.412 0.748 19288 2490 1 6 . 1 1 59 59 TRP CA C 59 60.432 60.432 60.691 -0.259 19288 2491 1 6 . 1 1 59 59 TRP CB C 59 29.304 29.304 29.308 -0.004 19288 2492 1 6 . 1 1 59 59 TRP H H 59 7.914 7.914 7.951 -0.037 19288 2493 1 6 . 1 1 60 60 HIS N N 60 119.175 119.175 116.203 2.972 19288 2494 1 6 . 1 1 60 60 HIS HA H 60 3.675 3.675 4.602 -0.927 19288 2495 1 6 . 1 1 60 60 HIS C C 60 174.721 174.721 174.182 0.539 19288 2496 1 6 . 1 1 60 60 HIS CA C 60 60.038 60.038 56.408 3.630 19288 2497 1 6 . 1 1 60 60 HIS CB C 60 28.143 28.143 29.544 -1.401 19288 2498 1 6 . 1 1 60 60 HIS H H 60 8.131 8.131 8.214 -0.083 19288 2499 1 6 . 1 1 61 61 MET N N 61 114.602 114.602 115.841 -1.239 19288 2500 1 6 . 1 1 61 61 MET HA H 61 4.127 4.127 4.784 -0.657 19288 2501 1 6 . 1 1 61 61 MET C C 61 178.337 178.337 177.029 1.308 19288 2502 1 6 . 1 1 61 61 MET CA C 61 57.177 57.177 54.128 3.049 19288 2503 1 6 . 1 1 61 61 MET CB C 61 30.085 30.085 32.949 -2.864 19288 2504 1 6 . 1 1 61 61 MET H H 61 8.448 8.448 7.790 0.658 19288 2505 1 6 . 1 1 62 62 LYS N N 62 118.858 118.858 120.847 -1.989 19288 2506 1 6 . 1 1 62 62 LYS HA H 62 3.998 3.998 3.993 0.005 19288 2507 1 6 . 1 1 62 62 LYS C C 62 176.716 176.716 176.781 -0.065 19288 2508 1 6 . 1 1 62 62 LYS CA C 62 58.512 58.512 59.600 -1.088 19288 2509 1 6 . 1 1 62 62 LYS CB C 62 31.694 31.694 33.057 -1.363 19288 2510 1 6 . 1 1 62 62 LYS H H 62 7.285 7.285 8.309 -1.024 19288 2511 1 6 . 1 1 63 63 LYS N N 63 117.683 117.683 117.098 0.585 19288 2512 1 6 . 1 1 63 63 LYS HA H 63 3.793 3.793 4.523 -0.730 19288 2513 1 6 . 1 1 63 63 LYS C C 63 179.150 179.150 174.610 4.540 19288 2514 1 6 . 1 1 63 63 LYS CA C 63 57.827 57.827 55.452 2.375 19288 2515 1 6 . 1 1 63 63 LYS CB C 63 31.272 31.272 36.099 -4.827 19288 2516 1 6 . 1 1 63 63 LYS H H 63 7.516 7.516 7.753 -0.237 19288 2517 1 6 . 1 1 64 64 HIS N N 64 115.200 115.200 120.106 -4.906 19288 2518 1 6 . 1 1 64 64 HIS HA H 64 4.708 4.708 4.777 -0.069 19288 2519 1 6 . 1 1 64 64 HIS C C 64 178.727 178.727 173.150 5.577 19288 2520 1 6 . 1 1 64 64 HIS CA C 64 55.628 55.628 55.199 0.429 19288 2521 1 6 . 1 1 64 64 HIS CB C 64 28.782 28.782 32.834 -4.052 19288 2522 1 6 . 1 1 64 64 HIS H H 64 7.155 7.155 8.423 -1.268 19288 2523 1 6 . 1 1 65 65 ASP N N 65 120.441 120.441 122.171 -1.730 19288 2524 1 6 . 1 1 65 65 ASP HA H 65 4.503 4.503 4.982 -0.479 19288 2525 1 6 . 1 1 65 65 ASP C C 65 177.648 177.648 176.331 1.317 19288 2526 1 6 . 1 1 65 65 ASP CA C 65 55.296 55.296 52.978 2.317 19288 2527 1 6 . 1 1 65 65 ASP CB C 65 41.122 41.122 41.947 -0.825 19288 2528 1 6 . 1 1 65 65 ASP H H 65 7.653 7.653 8.477 -0.824 19288 2529 1 6 . 1 1 66 66 ALA N N 66 123.184 123.184 129.412 -6.228 19288 2530 1 6 . 1 1 66 66 ALA HA H 66 4.141 4.141 4.162 -0.021 19288 2531 1 6 . 1 1 66 66 ALA C C 66 175.172 175.172 178.744 -3.572 19288 2532 1 6 . 1 1 66 66 ALA CA C 66 53.693 53.693 54.649 -0.956 19288 2533 1 6 . 1 1 66 66 ALA CB C 66 19.049 19.049 18.963 0.086 19288 2534 1 6 . 1 1 66 66 ALA H H 66 8.088 8.088 8.792 -0.704 19288 2535 1 6 . 1 1 67 67 ASP N N 67 117.608 117.608 118.907 -1.299 19288 2536 1 6 . 1 1 67 67 ASP HA H 67 4.175 4.175 4.496 -0.321 19288 2537 1 6 . 1 1 67 67 ASP C C 67 176.687 176.687 176.697 -0.010 19288 2538 1 6 . 1 1 67 67 ASP CA C 67 54.842 54.842 54.916 -0.074 19288 2539 1 6 . 1 1 67 67 ASP CB C 67 40.957 40.957 41.231 -0.274 19288 2540 1 6 . 1 1 67 67 ASP H H 67 7.999 7.999 8.240 -0.241 19288 2541 1 6 . 1 1 68 68 SER N N 68 114.794 114.794 113.979 0.815 19288 2542 1 6 . 1 1 68 68 SER HA H 68 4.145 4.145 4.804 -0.659 19288 2543 1 6 . 1 1 68 68 SER C C 68 178.056 178.056 174.677 3.379 19288 2544 1 6 . 1 1 68 68 SER CA C 68 59.397 59.397 55.989 3.408 19288 2545 1 6 . 1 1 68 68 SER CB C 68 63.682 63.682 63.234 0.447 19288 2546 1 6 . 1 1 68 68 SER H H 68 7.797 7.797 7.967 -0.170 19288 2547 1 6 . 1 1 69 69 PHE N N 69 120.277 120.277 122.236 -1.959 19288 2548 1 6 . 1 1 69 69 PHE HA H 69 4.474 4.474 4.682 -0.208 19288 2549 1 6 . 1 1 69 69 PHE C C 69 176.959 176.959 174.602 2.357 19288 2550 1 6 . 1 1 69 69 PHE CA C 69 58.048 58.048 57.482 0.566 19288 2551 1 6 . 1 1 69 69 PHE H H 69 7.850 7.850 8.567 -0.717 19288 2552 1 6 . 1 1 70 70 TYR N N 70 121.023 121.023 119.938 1.085 19288 2553 1 6 . 1 1 70 70 TYR HA H 70 4.494 4.494 4.037 0.457 19288 2554 1 6 . 1 1 70 70 TYR C C 70 174.330 174.330 175.137 -0.807 19288 2555 1 6 . 1 1 70 70 TYR CA C 70 56.491 56.491 57.453 -0.962 19288 2556 1 6 . 1 1 70 70 TYR CB C 70 37.727 37.727 39.380 -1.653 19288 2557 1 6 . 1 1 70 70 TYR H H 70 7.818 7.818 8.065 -0.247 19288 2558 1 6 . 1 1 71 71 GLN N N 71 119.046 119.046 116.391 2.655 19288 2559 1 6 . 1 1 71 71 GLN HA H 71 4.085 4.085 3.988 0.097 19288 2560 1 6 . 1 1 71 71 GLN C C 71 175.830 175.830 174.378 1.452 19288 2561 1 6 . 1 1 71 71 GLN CA C 71 56.485 56.485 56.403 0.082 19288 2562 1 6 . 1 1 71 71 GLN CB C 71 30.291 30.291 25.410 4.881 19288 2563 1 6 . 1 1 71 71 GLN H H 71 8.352 8.352 7.944 0.408 19288 2564 1 6 . 1 1 72 72 PHE N N 72 117.779 117.779 118.030 -0.251 19288 2565 1 6 . 1 1 72 72 PHE HA H 72 4.850 4.850 4.677 0.173 19288 2566 1 6 . 1 1 72 72 PHE C C 72 176.323 176.323 176.494 -0.171 19288 2567 1 6 . 1 1 72 72 PHE CA C 72 57.157 57.157 56.233 0.924 19288 2568 1 6 . 1 1 72 72 PHE CB C 72 41.106 41.106 40.882 0.224 19288 2569 1 6 . 1 1 72 72 PHE H H 72 7.901 7.901 7.444 0.457 19288 2570 1 6 . 1 1 73 73 SER N N 73 114.707 114.707 117.361 -2.654 19288 2571 1 6 . 1 1 73 73 SER HA H 73 5.469 5.469 4.444 1.025 19288 2572 1 6 . 1 1 73 73 SER C C 73 175.151 175.151 174.326 0.825 19288 2573 1 6 . 1 1 73 73 SER CA C 73 57.026 57.026 59.971 -2.945 19288 2574 1 6 . 1 1 73 73 SER CB C 73 65.963 65.963 63.762 2.201 19288 2575 1 6 . 1 1 73 73 SER H H 73 8.744 8.744 8.848 -0.104 19288 2576 1 6 . 1 1 74 74 CYS N N 74 124.143 124.143 117.090 7.053 19288 2577 1 6 . 1 1 74 74 CYS HA H 74 4.391 4.391 4.496 -0.105 19288 2578 1 6 . 1 1 74 74 CYS C C 74 174.848 174.848 175.819 -0.971 19288 2579 1 6 . 1 1 74 74 CYS CA C 74 59.743 59.743 58.014 1.729 19288 2580 1 6 . 1 1 74 74 CYS CB C 74 30.581 30.581 29.206 1.375 19288 2581 1 6 . 1 1 74 74 CYS H H 74 9.154 9.154 7.709 1.445 19288 2582 1 6 . 1 1 75 75 ASN HA H 75 4.501 4.501 4.054 0.447 19288 2583 1 6 . 1 1 75 75 ASN C C 75 173.664 173.664 176.955 -3.291 19288 2584 1 6 . 1 1 75 75 ASN CA C 75 55.316 55.316 55.587 -0.271 19288 2585 1 6 . 1 1 75 75 ASN CB C 75 36.774 36.774 37.512 -0.738 19288 2586 1 6 . 1 1 76 76 ILE N N 76 123.143 123.143 119.107 4.036 19288 2587 1 6 . 1 1 76 76 ILE HA H 76 3.908 3.908 3.911 -0.003 19288 2588 1 6 . 1 1 76 76 ILE CA C 76 63.223 63.223 64.767 -1.544 19288 2589 1 6 . 1 1 76 76 ILE CB C 76 38.269 38.269 37.502 0.767 19288 2590 1 6 . 1 1 76 76 ILE H H 76 8.921 8.921 8.378 0.543 19288 2591 1 6 . 1 1 77 77 CYS N N 77 116.298 116.298 118.440 -2.142 19288 2592 1 6 . 1 1 77 77 CYS HA H 77 5.159 5.159 3.907 1.252 19288 2593 1 6 . 1 1 77 77 CYS C C 77 174.401 174.401 176.537 -2.136 19288 2594 1 6 . 1 1 77 77 CYS CA C 77 58.394 58.394 61.491 -3.097 19288 2595 1 6 . 1 1 77 77 CYS CB C 77 32.743 32.743 27.059 5.684 19288 2596 1 6 . 1 1 77 77 CYS H H 77 8.243 8.243 7.628 0.615 19288 2597 1 6 . 1 1 78 78 GLY N N 78 113.607 113.607 107.812 5.795 19288 2598 1 6 . 1 1 78 78 GLY C C 78 176.862 176.862 175.993 0.869 19288 2599 1 6 . 1 1 78 78 GLY CA C 78 46.321 46.321 48.573 -2.252 19288 2600 1 6 . 1 1 78 78 GLY H H 78 8.060 8.060 7.231 0.829 19288 2601 1 6 . 1 1 79 79 LYS N N 79 123.134 123.134 121.503 1.631 19288 2602 1 6 . 1 1 79 79 LYS HA H 79 3.950 3.950 3.897 0.053 19288 2603 1 6 . 1 1 79 79 LYS C C 79 176.484 176.484 178.043 -1.559 19288 2604 1 6 . 1 1 79 79 LYS CA C 79 58.342 58.342 60.282 -1.940 19288 2605 1 6 . 1 1 79 79 LYS CB C 79 33.770 33.770 31.326 2.444 19288 2606 1 6 . 1 1 79 79 LYS H H 79 7.977 7.977 7.659 0.318 19288 2607 1 6 . 1 1 80 80 LYS N N 80 121.440 121.440 120.049 1.391 19288 2608 1 6 . 1 1 80 80 LYS HA H 80 4.884 4.884 4.028 0.856 19288 2609 1 6 . 1 1 80 80 LYS C C 80 173.961 173.961 178.182 -4.221 19288 2610 1 6 . 1 1 80 80 LYS CA C 80 55.524 55.524 59.294 -3.770 19288 2611 1 6 . 1 1 80 80 LYS CB C 80 35.024 35.024 31.503 3.521 19288 2612 1 6 . 1 1 80 80 LYS H H 80 7.918 7.918 7.688 0.230 19288 2613 1 6 . 1 1 81 81 PHE N N 81 116.724 116.724 119.527 -2.803 19288 2614 1 6 . 1 1 81 81 PHE HA H 81 4.598 4.598 4.394 0.204 19288 2615 1 6 . 1 1 81 81 PHE C C 81 174.541 174.541 177.829 -3.288 19288 2616 1 6 . 1 1 81 81 PHE CA C 81 57.359 57.359 61.650 -4.291 19288 2617 1 6 . 1 1 81 81 PHE CB C 81 44.738 44.738 39.459 5.279 19288 2618 1 6 . 1 1 81 81 PHE H H 81 8.725 8.725 7.963 0.762 19288 2619 1 6 . 1 1 82 82 GLU N N 82 120.474 120.474 120.398 0.076 19288 2620 1 6 . 1 1 82 82 GLU HA H 82 4.155 4.155 4.290 -0.135 19288 2621 1 6 . 1 1 82 82 GLU C C 82 175.832 175.832 178.686 -2.854 19288 2622 1 6 . 1 1 82 82 GLU CA C 82 57.900 57.900 59.595 -1.695 19288 2623 1 6 . 1 1 82 82 GLU CB C 82 30.829 30.829 29.822 1.007 19288 2624 1 6 . 1 1 82 82 GLU H H 82 8.775 8.775 8.249 0.526 19288 2625 1 6 . 1 1 83 83 LYS N N 83 114.607 114.607 116.737 -2.130 19288 2626 1 6 . 1 1 83 83 LYS HA H 83 4.607 4.607 4.181 0.426 19288 2627 1 6 . 1 1 83 83 LYS C C 83 174.585 174.585 177.292 -2.707 19288 2628 1 6 . 1 1 83 83 LYS CA C 83 54.369 54.369 58.544 -4.175 19288 2629 1 6 . 1 1 83 83 LYS CB C 83 35.540 35.540 32.166 3.374 19288 2630 1 6 . 1 1 83 83 LYS H H 83 7.547 7.547 8.076 -0.529 19288 2631 1 6 . 1 1 84 84 LYS N N 84 124.921 124.921 116.827 8.094 19288 2632 1 6 . 1 1 84 84 LYS HA H 84 3.073 3.073 4.352 -1.279 19288 2633 1 6 . 1 1 84 84 LYS C C 84 176.545 176.545 177.904 -1.359 19288 2634 1 6 . 1 1 84 84 LYS CA C 84 59.680 59.680 57.703 1.977 19288 2635 1 6 . 1 1 84 84 LYS CB C 84 31.920 31.920 33.062 -1.142 19288 2636 1 6 . 1 1 84 84 LYS H H 84 8.162 8.162 7.455 0.707 19288 2637 1 6 . 1 1 85 85 ASP N N 85 116.468 116.468 117.405 -0.937 19288 2638 1 6 . 1 1 85 85 ASP HA H 85 4.192 4.192 4.587 -0.395 19288 2639 1 6 . 1 1 85 85 ASP C C 85 176.385 176.385 175.469 0.916 19288 2640 1 6 . 1 1 85 85 ASP CA C 85 56.789 56.789 54.635 2.154 19288 2641 1 6 . 1 1 85 85 ASP CB C 85 39.780 39.780 41.666 -1.886 19288 2642 1 6 . 1 1 85 85 ASP H H 85 8.682 8.682 7.955 0.727 19288 2643 1 6 . 1 1 86 86 SER N N 86 114.601 114.601 118.265 -3.664 19288 2644 1 6 . 1 1 86 86 SER HA H 86 4.183 4.183 4.869 -0.686 19288 2645 1 6 . 1 1 86 86 SER C C 86 179.169 179.169 172.626 6.543 19288 2646 1 6 . 1 1 86 86 SER CA C 86 60.939 60.939 55.382 5.557 19288 2647 1 6 . 1 1 86 86 SER CB C 86 62.823 62.823 65.189 -2.366 19288 2648 1 6 . 1 1 86 86 SER H H 86 7.200 7.200 7.933 -0.733 19288 2649 1 6 . 1 1 87 87 VAL HA H 87 2.698 2.698 4.271 -1.573 19288 2650 1 6 . 1 1 87 87 VAL C C 87 178.806 178.806 174.473 4.333 19288 2651 1 6 . 1 1 87 87 VAL CA C 87 66.028 66.028 62.152 3.876 19288 2652 1 6 . 1 1 87 87 VAL CB C 87 31.461 31.461 30.319 1.143 19288 2653 1 6 . 1 1 88 88 VAL N N 88 120.424 120.424 121.721 -1.297 19288 2654 1 6 . 1 1 88 88 VAL HA H 88 3.485 3.485 4.263 -0.778 19288 2655 1 6 . 1 1 88 88 VAL C C 88 176.208 176.208 175.240 0.968 19288 2656 1 6 . 1 1 88 88 VAL CA C 88 66.735 66.735 61.758 4.977 19288 2657 1 6 . 1 1 88 88 VAL CB C 88 31.948 31.948 32.223 -0.275 19288 2658 1 6 . 1 1 88 88 VAL H H 88 7.190 7.190 7.922 -0.732 19288 2659 1 7 . 1 1 10 10 HIS HA H 10 4.620 4.620 4.796 -0.176 19288 2660 1 7 . 1 1 10 10 HIS CA C 10 56.302 56.302 54.713 1.589 19288 2661 1 7 . 1 1 10 10 HIS CB C 10 30.312 30.312 32.173 -1.861 19288 2662 1 7 . 1 1 11 11 MET N N 11 121.464 121.464 123.786 -2.322 19288 2663 1 7 . 1 1 11 11 MET HA H 11 4.387 4.387 4.709 -0.322 19288 2664 1 7 . 1 1 11 11 MET CA C 11 55.835 55.835 55.245 0.590 19288 2665 1 7 . 1 1 11 11 MET CB C 11 32.794 32.794 34.411 -1.617 19288 2666 1 7 . 1 1 11 11 MET H H 11 8.178 8.178 8.345 -0.167 19288 2667 1 7 . 1 1 12 12 ARG N N 12 121.614 121.614 122.132 -0.518 19288 2668 1 7 . 1 1 12 12 ARG HA H 12 4.244 4.244 4.288 -0.044 19288 2669 1 7 . 1 1 12 12 ARG CA C 12 55.802 55.802 57.445 -1.643 19288 2670 1 7 . 1 1 12 12 ARG CB C 12 31.110 31.110 30.671 0.439 19288 2671 1 7 . 1 1 12 12 ARG H H 12 8.209 8.209 8.528 -0.319 19288 2672 1 7 . 1 1 13 13 ASP N N 13 119.634 119.634 118.386 1.248 19288 2673 1 7 . 1 1 13 13 ASP HA H 13 4.667 4.667 4.652 0.015 19288 2674 1 7 . 1 1 13 13 ASP C C 13 175.723 175.723 174.110 1.613 19288 2675 1 7 . 1 1 13 13 ASP CA C 13 54.112 54.112 53.564 0.548 19288 2676 1 7 . 1 1 13 13 ASP CB C 13 42.459 42.459 42.452 0.007 19288 2677 1 7 . 1 1 13 13 ASP H H 13 7.858 7.858 7.543 0.315 19288 2678 1 7 . 1 1 14 14 TYR N N 14 120.932 120.932 119.031 1.901 19288 2679 1 7 . 1 1 14 14 TYR HA H 14 4.534 4.534 4.897 -0.363 19288 2680 1 7 . 1 1 14 14 TYR C C 14 174.767 174.767 175.878 -1.111 19288 2681 1 7 . 1 1 14 14 TYR CA C 14 57.521 57.521 57.846 -0.325 19288 2682 1 7 . 1 1 14 14 TYR CB C 14 38.608 38.608 42.824 -4.216 19288 2683 1 7 . 1 1 14 14 TYR H H 14 8.676 8.676 8.555 0.121 19288 2684 1 7 . 1 1 15 15 ILE N N 15 124.585 124.585 121.460 3.125 19288 2685 1 7 . 1 1 15 15 ILE HA H 15 4.714 4.714 4.443 0.271 19288 2686 1 7 . 1 1 15 15 ILE C C 15 175.178 175.178 175.202 -0.024 19288 2687 1 7 . 1 1 15 15 ILE CA C 15 59.647 59.647 61.078 -1.431 19288 2688 1 7 . 1 1 15 15 ILE CB C 15 39.969 39.969 38.859 1.110 19288 2689 1 7 . 1 1 15 15 ILE H H 15 8.479 8.479 8.536 -0.057 19288 2690 1 7 . 1 1 16 16 CYS N N 16 129.411 129.411 116.557 12.854 19288 2691 1 7 . 1 1 16 16 CYS HA H 16 4.334 4.334 4.584 -0.250 19288 2692 1 7 . 1 1 16 16 CYS C C 16 174.675 174.675 175.341 -0.666 19288 2693 1 7 . 1 1 16 16 CYS CA C 16 61.303 61.303 57.182 4.121 19288 2694 1 7 . 1 1 16 16 CYS CB C 16 30.233 30.233 31.145 -0.912 19288 2695 1 7 . 1 1 16 16 CYS H H 16 9.141 9.141 7.610 1.531 19288 2696 1 7 . 1 1 17 17 GLU N N 17 133.830 133.830 124.335 9.495 19288 2697 1 7 . 1 1 17 17 GLU HA H 17 4.200 4.200 3.377 0.823 19288 2698 1 7 . 1 1 17 17 GLU C C 17 175.826 175.826 178.091 -2.265 19288 2699 1 7 . 1 1 17 17 GLU CA C 17 58.616 58.616 58.503 0.113 19288 2700 1 7 . 1 1 17 17 GLU CB C 17 28.133 28.133 29.002 -0.869 19288 2701 1 7 . 1 1 17 17 GLU H H 17 10.744 10.744 8.518 2.226 19288 2702 1 7 . 1 1 18 18 TYR N N 18 121.850 121.850 121.331 0.519 19288 2703 1 7 . 1 1 18 18 TYR HA H 18 4.316 4.316 4.252 0.064 19288 2704 1 7 . 1 1 18 18 TYR C C 18 176.782 176.782 178.347 -1.565 19288 2705 1 7 . 1 1 18 18 TYR CA C 18 60.371 60.371 61.553 -1.182 19288 2706 1 7 . 1 1 18 18 TYR CB C 18 37.374 37.374 38.195 -0.821 19288 2707 1 7 . 1 1 18 18 TYR H H 18 9.190 9.190 8.177 1.013 19288 2708 1 7 . 1 1 19 19 CYS N N 19 116.138 116.138 118.538 -2.400 19288 2709 1 7 . 1 1 19 19 CYS HA H 19 5.111 5.111 4.247 0.864 19288 2710 1 7 . 1 1 19 19 CYS C C 19 176.019 176.019 176.671 -0.652 19288 2711 1 7 . 1 1 19 19 CYS CA C 19 58.721 58.721 61.901 -3.180 19288 2712 1 7 . 1 1 19 19 CYS CB C 19 32.573 32.573 27.314 5.259 19288 2713 1 7 . 1 1 19 19 CYS H H 19 7.999 7.999 7.902 0.097 19288 2714 1 7 . 1 1 20 20 ALA N N 20 122.058 122.058 122.718 -0.660 19288 2715 1 7 . 1 1 20 20 ALA HA H 20 4.140 4.140 3.283 0.857 19288 2716 1 7 . 1 1 20 20 ALA C C 20 177.014 177.014 178.479 -1.465 19288 2717 1 7 . 1 1 20 20 ALA CA C 20 54.584 54.584 54.619 -0.035 19288 2718 1 7 . 1 1 20 20 ALA CB C 20 17.127 17.127 18.254 -1.127 19288 2719 1 7 . 1 1 20 20 ALA H H 20 8.067 8.067 7.089 0.978 19288 2720 1 7 . 1 1 21 21 ARG N N 21 121.286 121.286 119.570 1.716 19288 2721 1 7 . 1 1 21 21 ARG HA H 21 4.003 4.003 3.951 0.052 19288 2722 1 7 . 1 1 21 21 ARG C C 21 175.133 175.133 178.362 -3.229 19288 2723 1 7 . 1 1 21 21 ARG CA C 21 58.236 58.236 59.102 -0.866 19288 2724 1 7 . 1 1 21 21 ARG CB C 21 31.677 31.677 29.664 2.013 19288 2725 1 7 . 1 1 21 21 ARG H H 21 7.947 7.947 7.858 0.089 19288 2726 1 7 . 1 1 22 22 ALA N N 22 123.966 123.966 120.887 3.079 19288 2727 1 7 . 1 1 22 22 ALA HA H 22 5.008 5.008 3.743 1.265 19288 2728 1 7 . 1 1 22 22 ALA C C 22 175.750 175.750 179.504 -3.754 19288 2729 1 7 . 1 1 22 22 ALA CA C 22 50.811 50.811 56.373 -5.562 19288 2730 1 7 . 1 1 22 22 ALA CB C 22 21.928 21.928 18.925 3.002 19288 2731 1 7 . 1 1 22 22 ALA H H 22 7.968 7.968 7.878 0.090 19288 2732 1 7 . 1 1 23 23 PHE N N 23 118.728 118.728 119.776 -1.048 19288 2733 1 7 . 1 1 23 23 PHE HA H 23 4.678 4.678 4.396 0.282 19288 2734 1 7 . 1 1 23 23 PHE C C 23 173.852 173.852 178.098 -4.246 19288 2735 1 7 . 1 1 23 23 PHE CA C 23 57.367 57.367 61.365 -3.998 19288 2736 1 7 . 1 1 23 23 PHE CB C 23 43.458 43.458 39.419 4.038 19288 2737 1 7 . 1 1 23 23 PHE H H 23 9.004 9.004 8.004 1.000 19288 2738 1 7 . 1 1 24 24 LYS N N 24 119.176 119.176 117.756 1.420 19288 2739 1 7 . 1 1 24 24 LYS HA H 24 4.709 4.709 4.415 0.294 19288 2740 1 7 . 1 1 24 24 LYS C C 24 176.934 176.934 178.648 -1.714 19288 2741 1 7 . 1 1 24 24 LYS CA C 24 56.482 56.482 58.182 -1.700 19288 2742 1 7 . 1 1 24 24 LYS CB C 24 33.111 33.111 32.050 1.061 19288 2743 1 7 . 1 1 24 24 LYS H H 24 9.211 9.211 8.315 0.896 19288 2744 1 7 . 1 1 25 25 SER N N 25 110.950 110.950 117.396 -6.446 19288 2745 1 7 . 1 1 25 25 SER HA H 25 4.566 4.566 4.249 0.317 19288 2746 1 7 . 1 1 25 25 SER C C 25 175.671 175.671 175.378 0.293 19288 2747 1 7 . 1 1 25 25 SER CA C 25 55.683 55.683 60.849 -5.166 19288 2748 1 7 . 1 1 25 25 SER CB C 25 66.490 66.490 63.176 3.314 19288 2749 1 7 . 1 1 25 25 SER H H 25 7.474 7.474 7.742 -0.268 19288 2750 1 7 . 1 1 26 26 SER N N 26 119.411 119.411 111.143 8.268 19288 2751 1 7 . 1 1 26 26 SER C C 26 176.269 176.269 175.639 0.630 19288 2752 1 7 . 1 1 26 26 SER CA C 26 60.616 60.616 59.399 1.217 19288 2753 1 7 . 1 1 26 26 SER CB C 26 61.758 61.758 61.303 0.454 19288 2754 1 7 . 1 1 26 26 SER H H 26 8.487 8.487 7.324 1.163 19288 2755 1 7 . 1 1 27 27 HIS HA H 27 4.258 4.258 4.480 -0.222 19288 2756 1 7 . 1 1 27 27 HIS C C 27 173.658 173.658 175.934 -2.276 19288 2757 1 7 . 1 1 27 27 HIS CA C 27 59.581 59.581 57.432 2.149 19288 2758 1 7 . 1 1 27 27 HIS CB C 27 29.913 29.913 29.397 0.516 19288 2759 1 7 . 1 1 28 28 ASN N N 28 117.126 117.126 115.193 1.933 19288 2760 1 7 . 1 1 28 28 ASN HA H 28 4.216 4.216 4.865 -0.649 19288 2761 1 7 . 1 1 28 28 ASN CA C 28 55.547 55.547 52.560 2.987 19288 2762 1 7 . 1 1 28 28 ASN CB C 28 37.634 37.634 38.368 -0.734 19288 2763 1 7 . 1 1 28 28 ASN H H 28 7.681 7.681 7.509 0.172 19288 2764 1 7 . 1 1 29 29 LEU N N 29 121.121 121.121 123.673 -2.552 19288 2765 1 7 . 1 1 29 29 LEU HA H 29 3.177 3.177 3.978 -0.801 19288 2766 1 7 . 1 1 29 29 LEU C C 29 176.205 176.205 176.310 -0.105 19288 2767 1 7 . 1 1 29 29 LEU CA C 29 57.893 57.893 55.157 2.736 19288 2768 1 7 . 1 1 29 29 LEU H H 29 7.300 7.300 7.918 -0.618 19288 2769 1 7 . 1 1 30 30 ALA N N 30 122.058 122.058 119.822 2.236 19288 2770 1 7 . 1 1 30 30 ALA HA H 30 3.917 3.917 4.273 -0.356 19288 2771 1 7 . 1 1 30 30 ALA C C 30 178.363 178.363 177.013 1.350 19288 2772 1 7 . 1 1 30 30 ALA CA C 30 55.487 55.487 52.125 3.362 19288 2773 1 7 . 1 1 30 30 ALA CB C 30 17.947 17.947 18.906 -0.959 19288 2774 1 7 . 1 1 30 30 ALA H H 30 7.987 7.987 8.169 -0.182 19288 2775 1 7 . 1 1 31 31 VAL N N 31 116.442 116.442 118.951 -2.509 19288 2776 1 7 . 1 1 31 31 VAL HA H 31 3.556 3.556 4.376 -0.820 19288 2777 1 7 . 1 1 31 31 VAL C C 31 176.352 176.352 174.313 2.039 19288 2778 1 7 . 1 1 31 31 VAL CA C 31 65.936 65.936 59.353 6.583 19288 2779 1 7 . 1 1 31 31 VAL CB C 31 32.281 32.281 33.484 -1.203 19288 2780 1 7 . 1 1 31 31 VAL H H 31 7.636 7.636 7.235 0.401 19288 2781 1 7 . 1 1 32 32 HIS HA H 32 4.125 4.125 4.382 -0.257 19288 2782 1 7 . 1 1 32 32 HIS C C 32 180.696 180.696 174.680 6.016 19288 2783 1 7 . 1 1 32 32 HIS CA C 32 59.377 59.377 57.416 1.961 19288 2784 1 7 . 1 1 32 32 HIS CB C 32 28.332 28.332 30.202 -1.870 19288 2785 1 7 . 1 1 33 33 ARG N N 33 115.795 115.795 119.302 -3.507 19288 2786 1 7 . 1 1 33 33 ARG HA H 33 3.658 3.658 4.590 -0.932 19288 2787 1 7 . 1 1 33 33 ARG C C 33 178.735 178.735 174.259 4.476 19288 2788 1 7 . 1 1 33 33 ARG CA C 33 60.012 60.012 55.579 4.433 19288 2789 1 7 . 1 1 33 33 ARG CB C 33 31.144 31.144 32.276 -1.132 19288 2790 1 7 . 1 1 33 33 ARG H H 33 8.633 8.633 8.128 0.505 19288 2791 1 7 . 1 1 34 34 MET N N 34 115.672 115.672 122.874 -7.202 19288 2792 1 7 . 1 1 34 34 MET HA H 34 4.211 4.211 5.099 -0.888 19288 2793 1 7 . 1 1 34 34 MET C C 34 176.427 176.427 175.497 0.930 19288 2794 1 7 . 1 1 34 34 MET CA C 34 57.866 57.866 53.761 4.106 19288 2795 1 7 . 1 1 34 34 MET CB C 34 32.221 32.221 34.739 -2.518 19288 2796 1 7 . 1 1 34 34 MET H H 34 7.057 7.057 8.271 -1.214 19288 2797 1 7 . 1 1 35 35 ILE N N 35 116.381 116.381 128.929 -12.548 19288 2798 1 7 . 1 1 35 35 ILE HA H 35 3.904 3.904 4.225 -0.321 19288 2799 1 7 . 1 1 35 35 ILE C C 35 177.504 177.504 175.833 1.671 19288 2800 1 7 . 1 1 35 35 ILE CA C 35 63.402 63.402 61.221 2.180 19288 2801 1 7 . 1 1 35 35 ILE CB C 35 37.724 37.724 37.159 0.565 19288 2802 1 7 . 1 1 35 35 ILE H H 35 7.811 7.811 8.894 -1.083 19288 2803 1 7 . 1 1 36 36 HIS N N 36 117.423 117.423 128.548 -11.125 19288 2804 1 7 . 1 1 36 36 HIS HA H 36 4.481 4.481 4.628 -0.147 19288 2805 1 7 . 1 1 36 36 HIS C C 36 178.413 178.413 173.846 4.567 19288 2806 1 7 . 1 1 36 36 HIS CA C 36 55.260 55.260 56.493 -1.233 19288 2807 1 7 . 1 1 36 36 HIS CB C 36 28.066 28.066 28.935 -0.869 19288 2808 1 7 . 1 1 36 36 HIS H H 36 7.247 7.247 8.633 -1.386 19288 2809 1 7 . 1 1 37 37 THR N N 37 110.804 110.804 116.057 -5.253 19288 2810 1 7 . 1 1 37 37 THR HA H 37 4.160 4.160 4.324 -0.164 19288 2811 1 7 . 1 1 37 37 THR C C 37 177.179 177.179 174.583 2.596 19288 2812 1 7 . 1 1 37 37 THR CA C 37 62.791 62.791 62.663 0.128 19288 2813 1 7 . 1 1 37 37 THR CB C 37 69.712 69.712 71.351 -1.639 19288 2814 1 7 . 1 1 37 37 THR H H 37 7.553 7.553 7.830 -0.277 19288 2815 1 7 . 1 1 38 38 GLY N N 38 110.842 110.842 109.030 1.812 19288 2816 1 7 . 1 1 38 38 GLY C C 38 175.821 175.821 174.575 1.246 19288 2817 1 7 . 1 1 38 38 GLY CA C 38 45.403 45.403 43.136 2.267 19288 2818 1 7 . 1 1 38 38 GLY H H 38 8.195 8.195 8.163 0.032 19288 2819 1 7 . 1 1 39 39 GLU N N 39 120.441 120.441 120.320 0.121 19288 2820 1 7 . 1 1 39 39 GLU HA H 39 4.238 4.238 4.814 -0.576 19288 2821 1 7 . 1 1 39 39 GLU C C 39 175.390 175.390 174.587 0.803 19288 2822 1 7 . 1 1 39 39 GLU CA C 39 56.572 56.572 56.617 -0.045 19288 2823 1 7 . 1 1 39 39 GLU H H 39 7.953 7.953 8.317 -0.364 19288 2824 1 7 . 1 1 40 40 LYS N N 40 123.624 123.624 125.678 -2.054 19288 2825 1 7 . 1 1 40 40 LYS HA H 40 4.534 4.534 4.658 -0.124 19288 2826 1 7 . 1 1 40 40 LYS C C 40 174.124 174.124 174.052 0.072 19288 2827 1 7 . 1 1 40 40 LYS CA C 40 54.236 54.236 55.983 -1.747 19288 2828 1 7 . 1 1 40 40 LYS CB C 40 32.769 32.769 36.257 -3.488 19288 2829 1 7 . 1 1 40 40 LYS H H 40 8.321 8.321 9.016 -0.695 19288 2830 1 7 . 1 1 41 41 PRO HA H 41 4.404 4.404 5.139 -0.735 19288 2831 1 7 . 1 1 41 41 PRO C C 41 176.103 176.103 175.382 0.721 19288 2832 1 7 . 1 1 41 41 PRO CA C 41 63.174 63.174 61.928 1.246 19288 2833 1 7 . 1 1 41 41 PRO CB C 41 32.306 32.306 33.485 -1.179 19288 2834 1 7 . 1 1 42 42 LEU N N 42 122.177 122.177 126.236 -4.059 19288 2835 1 7 . 1 1 42 42 LEU HA H 42 4.381 4.381 4.510 -0.129 19288 2836 1 7 . 1 1 42 42 LEU CA C 42 54.626 54.626 52.028 2.598 19288 2837 1 7 . 1 1 42 42 LEU CB C 42 42.719 42.719 43.929 -1.210 19288 2838 1 7 . 1 1 42 42 LEU H H 42 8.293 8.293 8.329 -0.036 19288 2839 1 7 . 1 1 43 43 GLN N N 43 119.188 119.188 118.906 0.282 19288 2840 1 7 . 1 1 43 43 GLN HA H 43 5.181 5.181 4.344 0.837 19288 2841 1 7 . 1 1 43 43 GLN C C 43 176.325 176.325 175.502 0.823 19288 2842 1 7 . 1 1 43 43 GLN CA C 43 53.898 53.898 55.554 -1.656 19288 2843 1 7 . 1 1 43 43 GLN CB C 43 32.969 32.969 28.989 3.980 19288 2844 1 7 . 1 1 43 43 GLN H H 43 8.180 8.180 8.570 -0.390 19288 2845 1 7 . 1 1 44 44 CYS N N 44 127.346 127.346 119.809 7.537 19288 2846 1 7 . 1 1 44 44 CYS HA H 44 4.453 4.453 4.676 -0.223 19288 2847 1 7 . 1 1 44 44 CYS C C 44 175.677 175.677 175.046 0.631 19288 2848 1 7 . 1 1 44 44 CYS CA C 44 59.437 59.437 58.159 1.278 19288 2849 1 7 . 1 1 44 44 CYS CB C 44 30.721 30.721 28.581 2.140 19288 2850 1 7 . 1 1 44 44 CYS H H 44 9.299 9.299 7.465 1.834 19288 2851 1 7 . 1 1 45 45 GLU N N 45 131.846 131.846 125.304 6.542 19288 2852 1 7 . 1 1 45 45 GLU HA H 45 4.178 4.178 3.941 0.237 19288 2853 1 7 . 1 1 45 45 GLU C C 45 174.655 174.655 178.624 -3.969 19288 2854 1 7 . 1 1 45 45 GLU CA C 45 58.342 58.342 60.145 -1.803 19288 2855 1 7 . 1 1 45 45 GLU CB C 45 29.819 29.819 29.299 0.520 19288 2856 1 7 . 1 1 45 45 GLU H H 45 9.602 9.602 9.138 0.464 19288 2857 1 7 . 1 1 46 46 ILE N N 46 121.898 121.898 118.141 3.757 19288 2858 1 7 . 1 1 46 46 ILE HA H 46 3.840 3.840 4.127 -0.287 19288 2859 1 7 . 1 1 46 46 ILE C C 46 177.404 177.404 178.598 -1.194 19288 2860 1 7 . 1 1 46 46 ILE CA C 46 63.494 63.494 64.293 -0.799 19288 2861 1 7 . 1 1 46 46 ILE CB C 46 38.461 38.461 37.044 1.417 19288 2862 1 7 . 1 1 46 46 ILE H H 46 8.973 8.973 8.581 0.392 19288 2863 1 7 . 1 1 47 47 CYS N N 47 117.274 117.274 118.446 -1.172 19288 2864 1 7 . 1 1 47 47 CYS HA H 47 5.231 5.231 4.321 0.910 19288 2865 1 7 . 1 1 47 47 CYS C C 47 176.087 176.087 176.895 -0.808 19288 2866 1 7 . 1 1 47 47 CYS CA C 47 58.455 58.455 62.636 -4.181 19288 2867 1 7 . 1 1 47 47 CYS CB C 47 33.590 33.590 27.330 6.260 19288 2868 1 7 . 1 1 47 47 CYS H H 47 8.432 8.432 7.460 0.972 19288 2869 1 7 . 1 1 48 48 GLY N N 48 112.655 112.655 110.567 2.088 19288 2870 1 7 . 1 1 48 48 GLY C C 48 177.177 177.177 176.834 0.343 19288 2871 1 7 . 1 1 48 48 GLY CA C 48 46.253 46.253 48.191 -1.938 19288 2872 1 7 . 1 1 48 48 GLY H H 48 8.016 8.016 7.871 0.145 19288 2873 1 7 . 1 1 49 49 PHE N N 49 125.000 125.000 120.385 4.615 19288 2874 1 7 . 1 1 49 49 PHE HA H 49 4.272 4.272 4.213 0.059 19288 2875 1 7 . 1 1 49 49 PHE C C 49 176.313 176.313 178.237 -1.924 19288 2876 1 7 . 1 1 49 49 PHE CA C 49 59.750 59.750 61.369 -1.619 19288 2877 1 7 . 1 1 49 49 PHE CB C 49 41.278 41.278 38.689 2.589 19288 2878 1 7 . 1 1 49 49 PHE H H 49 8.333 8.333 8.656 -0.323 19288 2879 1 7 . 1 1 50 50 THR N N 50 118.297 118.297 113.211 5.086 19288 2880 1 7 . 1 1 50 50 THR HA H 50 5.150 5.150 4.239 0.911 19288 2881 1 7 . 1 1 50 50 THR C C 50 173.480 173.480 176.792 -3.312 19288 2882 1 7 . 1 1 50 50 THR CA C 50 59.186 59.186 65.449 -6.263 19288 2883 1 7 . 1 1 50 50 THR CB C 50 71.954 71.954 68.706 3.248 19288 2884 1 7 . 1 1 50 50 THR H H 50 7.336 7.336 7.711 -0.375 19288 2885 1 7 . 1 1 51 51 CYS N N 51 115.101 115.101 120.591 -5.490 19288 2886 1 7 . 1 1 51 51 CYS HA H 51 4.540 4.540 3.815 0.725 19288 2887 1 7 . 1 1 51 51 CYS C C 51 173.381 173.381 177.273 -3.892 19288 2888 1 7 . 1 1 51 51 CYS CA C 51 56.305 56.305 62.996 -6.691 19288 2889 1 7 . 1 1 51 51 CYS CB C 51 30.578 30.578 27.812 2.766 19288 2890 1 7 . 1 1 51 51 CYS H H 51 8.318 8.318 8.182 0.136 19288 2891 1 7 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.237 0.329 19288 2892 1 7 . 1 1 52 52 ARG C C 52 172.494 172.494 177.495 -5.001 19288 2893 1 7 . 1 1 52 52 ARG CA C 52 56.923 56.923 59.484 -2.562 19288 2894 1 7 . 1 1 52 52 ARG CB C 52 31.891 31.891 30.484 1.407 19288 2895 1 7 . 1 1 53 53 GLN N N 53 115.534 115.534 118.310 -2.776 19288 2896 1 7 . 1 1 53 53 GLN HA H 53 4.719 4.719 4.040 0.679 19288 2897 1 7 . 1 1 53 53 GLN CA C 53 54.637 54.637 58.069 -3.432 19288 2898 1 7 . 1 1 53 53 GLN CB C 53 30.904 30.904 28.290 2.614 19288 2899 1 7 . 1 1 53 53 GLN H H 53 7.649 7.649 7.529 0.120 19288 2900 1 7 . 1 1 54 54 LYS N N 54 127.065 127.065 117.316 9.749 19288 2901 1 7 . 1 1 54 54 LYS HA H 54 3.771 3.771 4.089 -0.318 19288 2902 1 7 . 1 1 54 54 LYS C C 54 176.035 176.035 178.034 -1.999 19288 2903 1 7 . 1 1 54 54 LYS CA C 54 59.833 59.833 58.383 1.450 19288 2904 1 7 . 1 1 54 54 LYS CB C 54 32.087 32.087 32.450 -0.363 19288 2905 1 7 . 1 1 54 54 LYS H H 54 9.132 9.132 7.615 1.517 19288 2906 1 7 . 1 1 55 55 ALA N N 55 120.230 120.230 120.157 0.073 19288 2907 1 7 . 1 1 55 55 ALA HA H 55 4.135 4.135 4.401 -0.266 19288 2908 1 7 . 1 1 55 55 ALA C C 55 176.728 176.728 178.776 -2.048 19288 2909 1 7 . 1 1 55 55 ALA CA C 55 55.456 55.456 53.142 2.314 19288 2910 1 7 . 1 1 55 55 ALA CB C 55 18.224 18.224 18.304 -0.080 19288 2911 1 7 . 1 1 55 55 ALA H H 55 9.016 9.016 7.044 1.972 19288 2912 1 7 . 1 1 56 56 SER N N 56 112.225 112.225 116.500 -4.275 19288 2913 1 7 . 1 1 56 56 SER HA H 56 4.509 4.509 4.405 0.104 19288 2914 1 7 . 1 1 56 56 SER C C 56 178.309 178.309 175.430 2.879 19288 2915 1 7 . 1 1 56 56 SER CA C 56 61.172 61.172 60.173 0.999 19288 2916 1 7 . 1 1 56 56 SER CB C 56 62.925 62.925 62.916 0.009 19288 2917 1 7 . 1 1 56 56 SER H H 56 7.097 7.097 7.725 -0.628 19288 2918 1 7 . 1 1 57 57 LEU N N 57 126.317 126.317 119.795 6.522 19288 2919 1 7 . 1 1 57 57 LEU HA H 57 4.327 4.327 4.160 0.167 19288 2920 1 7 . 1 1 57 57 LEU C C 57 180.642 180.642 177.047 3.595 19288 2921 1 7 . 1 1 57 57 LEU CA C 57 58.038 58.038 55.819 2.219 19288 2922 1 7 . 1 1 57 57 LEU CB C 57 41.443 41.443 42.351 -0.908 19288 2923 1 7 . 1 1 57 57 LEU H H 57 7.667 7.667 7.901 -0.234 19288 2924 1 7 . 1 1 58 58 ASN N N 58 118.325 118.325 115.544 2.781 19288 2925 1 7 . 1 1 58 58 ASN HA H 58 4.364 4.364 4.569 -0.205 19288 2926 1 7 . 1 1 58 58 ASN C C 58 176.770 176.770 175.022 1.748 19288 2927 1 7 . 1 1 58 58 ASN CA C 58 56.457 56.457 53.960 2.497 19288 2928 1 7 . 1 1 58 58 ASN CB C 58 37.852 37.852 37.134 0.718 19288 2929 1 7 . 1 1 58 58 ASN H H 58 8.533 8.533 8.312 0.221 19288 2930 1 7 . 1 1 59 59 TRP N N 59 119.802 119.802 119.754 0.048 19288 2931 1 7 . 1 1 59 59 TRP HA H 59 4.349 4.349 4.398 -0.049 19288 2932 1 7 . 1 1 59 59 TRP C C 59 178.160 178.160 177.117 1.043 19288 2933 1 7 . 1 1 59 59 TRP CA C 59 60.432 60.432 60.268 0.164 19288 2934 1 7 . 1 1 59 59 TRP CB C 59 29.304 29.304 29.426 -0.122 19288 2935 1 7 . 1 1 59 59 TRP H H 59 7.914 7.914 8.683 -0.769 19288 2936 1 7 . 1 1 60 60 HIS N N 60 119.175 119.175 117.385 1.790 19288 2937 1 7 . 1 1 60 60 HIS HA H 60 3.675 3.675 4.617 -0.942 19288 2938 1 7 . 1 1 60 60 HIS C C 60 174.721 174.721 176.497 -1.776 19288 2939 1 7 . 1 1 60 60 HIS CA C 60 60.038 60.038 57.918 2.120 19288 2940 1 7 . 1 1 60 60 HIS CB C 60 28.143 28.143 30.187 -2.044 19288 2941 1 7 . 1 1 60 60 HIS H H 60 8.131 8.131 8.220 -0.089 19288 2942 1 7 . 1 1 61 61 MET N N 61 114.602 114.602 116.681 -2.079 19288 2943 1 7 . 1 1 61 61 MET HA H 61 4.127 4.127 4.493 -0.366 19288 2944 1 7 . 1 1 61 61 MET C C 61 178.337 178.337 176.089 2.248 19288 2945 1 7 . 1 1 61 61 MET CA C 61 57.177 57.177 54.699 2.478 19288 2946 1 7 . 1 1 61 61 MET CB C 61 30.085 30.085 30.088 -0.003 19288 2947 1 7 . 1 1 61 61 MET H H 61 8.448 8.448 8.582 -0.134 19288 2948 1 7 . 1 1 62 62 LYS N N 62 118.858 118.858 119.973 -1.115 19288 2949 1 7 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.091 -0.093 19288 2950 1 7 . 1 1 62 62 LYS C C 62 176.716 176.716 177.076 -0.360 19288 2951 1 7 . 1 1 62 62 LYS CA C 62 58.512 58.512 58.949 -0.437 19288 2952 1 7 . 1 1 62 62 LYS CB C 62 31.694 31.694 33.339 -1.645 19288 2953 1 7 . 1 1 62 62 LYS H H 62 7.285 7.285 7.565 -0.280 19288 2954 1 7 . 1 1 63 63 LYS N N 63 117.683 117.683 116.352 1.331 19288 2955 1 7 . 1 1 63 63 LYS HA H 63 3.793 3.793 4.471 -0.678 19288 2956 1 7 . 1 1 63 63 LYS C C 63 179.150 179.150 174.404 4.746 19288 2957 1 7 . 1 1 63 63 LYS CA C 63 57.827 57.827 55.291 2.535 19288 2958 1 7 . 1 1 63 63 LYS CB C 63 31.272 31.272 35.790 -4.518 19288 2959 1 7 . 1 1 63 63 LYS H H 63 7.516 7.516 7.727 -0.211 19288 2960 1 7 . 1 1 64 64 HIS N N 64 115.200 115.200 119.705 -4.505 19288 2961 1 7 . 1 1 64 64 HIS HA H 64 4.708 4.708 4.735 -0.027 19288 2962 1 7 . 1 1 64 64 HIS C C 64 178.727 178.727 173.244 5.483 19288 2963 1 7 . 1 1 64 64 HIS CA C 64 55.628 55.628 54.376 1.252 19288 2964 1 7 . 1 1 64 64 HIS CB C 64 28.782 28.782 32.901 -4.119 19288 2965 1 7 . 1 1 64 64 HIS H H 64 7.155 7.155 8.335 -1.180 19288 2966 1 7 . 1 1 65 65 ASP N N 65 120.441 120.441 122.512 -2.071 19288 2967 1 7 . 1 1 65 65 ASP HA H 65 4.503 4.503 5.088 -0.585 19288 2968 1 7 . 1 1 65 65 ASP C C 65 177.648 177.648 176.930 0.718 19288 2969 1 7 . 1 1 65 65 ASP CA C 65 55.296 55.296 53.432 1.864 19288 2970 1 7 . 1 1 65 65 ASP CB C 65 41.122 41.122 42.787 -1.665 19288 2971 1 7 . 1 1 65 65 ASP H H 65 7.653 7.653 8.646 -0.993 19288 2972 1 7 . 1 1 66 66 ALA N N 66 123.184 123.184 129.874 -6.690 19288 2973 1 7 . 1 1 66 66 ALA HA H 66 4.141 4.141 4.195 -0.054 19288 2974 1 7 . 1 1 66 66 ALA C C 66 175.172 175.172 178.833 -3.661 19288 2975 1 7 . 1 1 66 66 ALA CA C 66 53.693 53.693 54.785 -1.092 19288 2976 1 7 . 1 1 66 66 ALA CB C 66 19.049 19.049 19.090 -0.041 19288 2977 1 7 . 1 1 66 66 ALA H H 66 8.088 8.088 8.599 -0.511 19288 2978 1 7 . 1 1 67 67 ASP N N 67 117.608 117.608 118.944 -1.336 19288 2979 1 7 . 1 1 67 67 ASP HA H 67 4.175 4.175 4.466 -0.291 19288 2980 1 7 . 1 1 67 67 ASP C C 67 176.687 176.687 175.677 1.010 19288 2981 1 7 . 1 1 67 67 ASP CA C 67 54.842 54.842 55.575 -0.733 19288 2982 1 7 . 1 1 67 67 ASP CB C 67 40.957 40.957 41.546 -0.589 19288 2983 1 7 . 1 1 67 67 ASP H H 67 7.999 7.999 8.262 -0.263 19288 2984 1 7 . 1 1 68 68 SER N N 68 114.794 114.794 111.453 3.341 19288 2985 1 7 . 1 1 68 68 SER HA H 68 4.145 4.145 4.773 -0.628 19288 2986 1 7 . 1 1 68 68 SER C C 68 178.056 178.056 174.471 3.585 19288 2987 1 7 . 1 1 68 68 SER CA C 68 59.397 59.397 56.011 3.386 19288 2988 1 7 . 1 1 68 68 SER CB C 68 63.682 63.682 64.360 -0.678 19288 2989 1 7 . 1 1 68 68 SER H H 68 7.797 7.797 7.799 -0.002 19288 2990 1 7 . 1 1 69 69 PHE N N 69 120.277 120.277 121.466 -1.189 19288 2991 1 7 . 1 1 69 69 PHE HA H 69 4.474 4.474 4.419 0.055 19288 2992 1 7 . 1 1 69 69 PHE C C 69 176.959 176.959 174.704 2.255 19288 2993 1 7 . 1 1 69 69 PHE CA C 69 58.048 58.048 58.176 -0.128 19288 2994 1 7 . 1 1 69 69 PHE H H 69 7.850 7.850 8.350 -0.500 19288 2995 1 7 . 1 1 70 70 TYR N N 70 121.023 121.023 120.566 0.457 19288 2996 1 7 . 1 1 70 70 TYR HA H 70 4.494 4.494 4.031 0.463 19288 2997 1 7 . 1 1 70 70 TYR C C 70 174.330 174.330 175.018 -0.688 19288 2998 1 7 . 1 1 70 70 TYR CA C 70 56.491 56.491 57.401 -0.910 19288 2999 1 7 . 1 1 70 70 TYR CB C 70 37.727 37.727 39.508 -1.781 19288 3000 1 7 . 1 1 70 70 TYR H H 70 7.818 7.818 8.020 -0.202 19288 3001 1 7 . 1 1 71 71 GLN N N 71 119.046 119.046 118.002 1.044 19288 3002 1 7 . 1 1 71 71 GLN HA H 71 4.085 4.085 3.991 0.094 19288 3003 1 7 . 1 1 71 71 GLN C C 71 175.830 175.830 174.270 1.560 19288 3004 1 7 . 1 1 71 71 GLN CA C 71 56.485 56.485 56.298 0.187 19288 3005 1 7 . 1 1 71 71 GLN CB C 71 30.291 30.291 25.494 4.797 19288 3006 1 7 . 1 1 71 71 GLN H H 71 8.352 8.352 7.603 0.749 19288 3007 1 7 . 1 1 72 72 PHE N N 72 117.779 117.779 118.701 -0.922 19288 3008 1 7 . 1 1 72 72 PHE HA H 72 4.850 4.850 4.722 0.128 19288 3009 1 7 . 1 1 72 72 PHE C C 72 176.323 176.323 176.505 -0.182 19288 3010 1 7 . 1 1 72 72 PHE CA C 72 57.157 57.157 55.842 1.315 19288 3011 1 7 . 1 1 72 72 PHE CB C 72 41.106 41.106 42.276 -1.170 19288 3012 1 7 . 1 1 72 72 PHE H H 72 7.901 7.901 7.462 0.439 19288 3013 1 7 . 1 1 73 73 SER N N 73 114.707 114.707 118.224 -3.517 19288 3014 1 7 . 1 1 73 73 SER HA H 73 5.469 5.469 4.397 1.072 19288 3015 1 7 . 1 1 73 73 SER C C 73 175.151 175.151 174.018 1.133 19288 3016 1 7 . 1 1 73 73 SER CA C 73 57.026 57.026 60.099 -3.073 19288 3017 1 7 . 1 1 73 73 SER CB C 73 65.963 65.963 63.462 2.501 19288 3018 1 7 . 1 1 73 73 SER H H 73 8.744 8.744 8.902 -0.158 19288 3019 1 7 . 1 1 74 74 CYS N N 74 124.143 124.143 115.637 8.506 19288 3020 1 7 . 1 1 74 74 CYS HA H 74 4.391 4.391 4.416 -0.025 19288 3021 1 7 . 1 1 74 74 CYS C C 74 174.848 174.848 174.999 -0.151 19288 3022 1 7 . 1 1 74 74 CYS CA C 74 59.743 59.743 57.128 2.615 19288 3023 1 7 . 1 1 74 74 CYS CB C 74 30.581 30.581 30.306 0.275 19288 3024 1 7 . 1 1 74 74 CYS H H 74 9.154 9.154 7.492 1.662 19288 3025 1 7 . 1 1 75 75 ASN HA H 75 4.501 4.501 4.193 0.308 19288 3026 1 7 . 1 1 75 75 ASN C C 75 173.664 173.664 176.619 -2.955 19288 3027 1 7 . 1 1 75 75 ASN CA C 75 55.316 55.316 55.242 0.074 19288 3028 1 7 . 1 1 75 75 ASN CB C 75 36.774 36.774 37.490 -0.716 19288 3029 1 7 . 1 1 76 76 ILE N N 76 123.143 123.143 119.132 4.011 19288 3030 1 7 . 1 1 76 76 ILE HA H 76 3.908 3.908 3.891 0.017 19288 3031 1 7 . 1 1 76 76 ILE CA C 76 63.223 63.223 64.784 -1.561 19288 3032 1 7 . 1 1 76 76 ILE CB C 76 38.269 38.269 37.372 0.897 19288 3033 1 7 . 1 1 76 76 ILE H H 76 8.921 8.921 8.431 0.490 19288 3034 1 7 . 1 1 77 77 CYS N N 77 116.298 116.298 118.317 -2.019 19288 3035 1 7 . 1 1 77 77 CYS HA H 77 5.159 5.159 3.941 1.218 19288 3036 1 7 . 1 1 77 77 CYS C C 77 174.401 174.401 176.243 -1.842 19288 3037 1 7 . 1 1 77 77 CYS CA C 77 58.394 58.394 61.647 -3.252 19288 3038 1 7 . 1 1 77 77 CYS CB C 77 32.743 32.743 26.867 5.876 19288 3039 1 7 . 1 1 77 77 CYS H H 77 8.243 8.243 7.485 0.758 19288 3040 1 7 . 1 1 78 78 GLY N N 78 113.607 113.607 111.420 2.187 19288 3041 1 7 . 1 1 78 78 GLY C C 78 176.862 176.862 176.346 0.516 19288 3042 1 7 . 1 1 78 78 GLY CA C 78 46.321 46.321 49.235 -2.914 19288 3043 1 7 . 1 1 78 78 GLY H H 78 8.060 8.060 7.188 0.872 19288 3044 1 7 . 1 1 79 79 LYS N N 79 123.134 123.134 119.939 3.195 19288 3045 1 7 . 1 1 79 79 LYS HA H 79 3.950 3.950 3.765 0.185 19288 3046 1 7 . 1 1 79 79 LYS C C 79 176.484 176.484 177.933 -1.449 19288 3047 1 7 . 1 1 79 79 LYS CA C 79 58.342 58.342 60.464 -2.122 19288 3048 1 7 . 1 1 79 79 LYS CB C 79 33.770 33.770 31.850 1.920 19288 3049 1 7 . 1 1 79 79 LYS H H 79 7.977 7.977 8.120 -0.143 19288 3050 1 7 . 1 1 80 80 LYS N N 80 121.440 121.440 119.342 2.098 19288 3051 1 7 . 1 1 80 80 LYS HA H 80 4.884 4.884 3.928 0.956 19288 3052 1 7 . 1 1 80 80 LYS C C 80 173.961 173.961 178.340 -4.379 19288 3053 1 7 . 1 1 80 80 LYS CA C 80 55.524 55.524 59.300 -3.776 19288 3054 1 7 . 1 1 80 80 LYS CB C 80 35.024 35.024 31.343 3.681 19288 3055 1 7 . 1 1 80 80 LYS H H 80 7.918 7.918 7.570 0.348 19288 3056 1 7 . 1 1 81 81 PHE N N 81 116.724 116.724 119.731 -3.007 19288 3057 1 7 . 1 1 81 81 PHE HA H 81 4.598 4.598 4.295 0.303 19288 3058 1 7 . 1 1 81 81 PHE C C 81 174.541 174.541 177.840 -3.299 19288 3059 1 7 . 1 1 81 81 PHE CA C 81 57.359 57.359 61.794 -4.435 19288 3060 1 7 . 1 1 81 81 PHE CB C 81 44.738 44.738 39.392 5.346 19288 3061 1 7 . 1 1 81 81 PHE H H 81 8.725 8.725 7.715 1.010 19288 3062 1 7 . 1 1 82 82 GLU N N 82 120.474 120.474 119.663 0.811 19288 3063 1 7 . 1 1 82 82 GLU HA H 82 4.155 4.155 4.284 -0.129 19288 3064 1 7 . 1 1 82 82 GLU C C 82 175.832 175.832 179.043 -3.211 19288 3065 1 7 . 1 1 82 82 GLU CA C 82 57.900 57.900 59.437 -1.537 19288 3066 1 7 . 1 1 82 82 GLU CB C 82 30.829 30.829 29.656 1.173 19288 3067 1 7 . 1 1 82 82 GLU H H 82 8.775 8.775 8.341 0.434 19288 3068 1 7 . 1 1 83 83 LYS N N 83 114.607 114.607 118.267 -3.660 19288 3069 1 7 . 1 1 83 83 LYS HA H 83 4.607 4.607 4.126 0.481 19288 3070 1 7 . 1 1 83 83 LYS C C 83 174.585 174.585 177.759 -3.174 19288 3071 1 7 . 1 1 83 83 LYS CA C 83 54.369 54.369 59.196 -4.827 19288 3072 1 7 . 1 1 83 83 LYS CB C 83 35.540 35.540 32.067 3.473 19288 3073 1 7 . 1 1 83 83 LYS H H 83 7.547 7.547 8.076 -0.529 19288 3074 1 7 . 1 1 84 84 LYS N N 84 124.921 124.921 116.925 7.996 19288 3075 1 7 . 1 1 84 84 LYS HA H 84 3.073 3.073 4.308 -1.235 19288 3076 1 7 . 1 1 84 84 LYS C C 84 176.545 176.545 178.587 -2.042 19288 3077 1 7 . 1 1 84 84 LYS CA C 84 59.680 59.680 58.119 1.561 19288 3078 1 7 . 1 1 84 84 LYS CB C 84 31.920 31.920 32.607 -0.687 19288 3079 1 7 . 1 1 84 84 LYS H H 84 8.162 8.162 7.455 0.707 19288 3080 1 7 . 1 1 85 85 ASP N N 85 116.468 116.468 118.543 -2.075 19288 3081 1 7 . 1 1 85 85 ASP HA H 85 4.192 4.192 4.317 -0.125 19288 3082 1 7 . 1 1 85 85 ASP C C 85 176.385 176.385 175.692 0.693 19288 3083 1 7 . 1 1 85 85 ASP CA C 85 56.789 56.789 55.804 0.985 19288 3084 1 7 . 1 1 85 85 ASP CB C 85 39.780 39.780 41.207 -1.427 19288 3085 1 7 . 1 1 85 85 ASP H H 85 8.682 8.682 8.101 0.581 19288 3086 1 7 . 1 1 86 86 SER N N 86 114.601 114.601 116.742 -2.141 19288 3087 1 7 . 1 1 86 86 SER HA H 86 4.183 4.183 4.840 -0.657 19288 3088 1 7 . 1 1 86 86 SER C C 86 179.169 179.169 171.928 7.241 19288 3089 1 7 . 1 1 86 86 SER CA C 86 60.939 60.939 54.886 6.053 19288 3090 1 7 . 1 1 86 86 SER CB C 86 62.823 62.823 63.368 -0.545 19288 3091 1 7 . 1 1 86 86 SER H H 86 7.200 7.200 7.590 -0.390 19288 3092 1 7 . 1 1 87 87 VAL HA H 87 2.698 2.698 4.027 -1.329 19288 3093 1 7 . 1 1 87 87 VAL C C 87 178.806 178.806 175.612 3.194 19288 3094 1 7 . 1 1 87 87 VAL CA C 87 66.028 66.028 62.531 3.497 19288 3095 1 7 . 1 1 87 87 VAL CB C 87 31.461 31.461 31.107 0.354 19288 3096 1 7 . 1 1 88 88 VAL N N 88 120.424 120.424 124.269 -3.845 19288 3097 1 7 . 1 1 88 88 VAL HA H 88 3.485 3.485 4.031 -0.546 19288 3098 1 7 . 1 1 88 88 VAL C C 88 176.208 176.208 176.118 0.090 19288 3099 1 7 . 1 1 88 88 VAL CA C 88 66.735 66.735 62.332 4.403 19288 3100 1 7 . 1 1 88 88 VAL CB C 88 31.948 31.948 32.177 -0.229 19288 3101 1 7 . 1 1 88 88 VAL H H 88 7.190 7.190 8.175 -0.985 19288 3102 1 8 . 1 1 10 10 HIS HA H 10 4.620 4.620 4.857 -0.237 19288 3103 1 8 . 1 1 10 10 HIS CA C 10 56.302 56.302 54.653 1.649 19288 3104 1 8 . 1 1 10 10 HIS CB C 10 30.312 30.312 32.160 -1.848 19288 3105 1 8 . 1 1 11 11 MET N N 11 121.464 121.464 124.322 -2.858 19288 3106 1 8 . 1 1 11 11 MET HA H 11 4.387 4.387 4.868 -0.481 19288 3107 1 8 . 1 1 11 11 MET CA C 11 55.835 55.835 55.394 0.441 19288 3108 1 8 . 1 1 11 11 MET CB C 11 32.794 32.794 33.944 -1.150 19288 3109 1 8 . 1 1 11 11 MET H H 11 8.178 8.178 8.523 -0.345 19288 3110 1 8 . 1 1 12 12 ARG N N 12 121.614 121.614 122.352 -0.738 19288 3111 1 8 . 1 1 12 12 ARG HA H 12 4.244 4.244 4.241 0.003 19288 3112 1 8 . 1 1 12 12 ARG CA C 12 55.802 55.802 57.657 -1.855 19288 3113 1 8 . 1 1 12 12 ARG CB C 12 31.110 31.110 30.529 0.581 19288 3114 1 8 . 1 1 12 12 ARG H H 12 8.209 8.209 8.460 -0.251 19288 3115 1 8 . 1 1 13 13 ASP N N 13 119.634 119.634 118.653 0.981 19288 3116 1 8 . 1 1 13 13 ASP HA H 13 4.667 4.667 4.589 0.078 19288 3117 1 8 . 1 1 13 13 ASP C C 13 175.723 175.723 173.859 1.864 19288 3118 1 8 . 1 1 13 13 ASP CA C 13 54.112 54.112 53.579 0.533 19288 3119 1 8 . 1 1 13 13 ASP CB C 13 42.459 42.459 42.166 0.293 19288 3120 1 8 . 1 1 13 13 ASP H H 13 7.858 7.858 7.560 0.298 19288 3121 1 8 . 1 1 14 14 TYR N N 14 120.932 120.932 120.449 0.483 19288 3122 1 8 . 1 1 14 14 TYR HA H 14 4.534 4.534 4.775 -0.241 19288 3123 1 8 . 1 1 14 14 TYR C C 14 174.767 174.767 176.189 -1.422 19288 3124 1 8 . 1 1 14 14 TYR CA C 14 57.521 57.521 57.242 0.279 19288 3125 1 8 . 1 1 14 14 TYR CB C 14 38.608 38.608 42.173 -3.565 19288 3126 1 8 . 1 1 14 14 TYR H H 14 8.676 8.676 8.544 0.132 19288 3127 1 8 . 1 1 15 15 ILE N N 15 124.585 124.585 121.835 2.750 19288 3128 1 8 . 1 1 15 15 ILE HA H 15 4.714 4.714 4.339 0.375 19288 3129 1 8 . 1 1 15 15 ILE C C 15 175.178 175.178 175.526 -0.348 19288 3130 1 8 . 1 1 15 15 ILE CA C 15 59.647 59.647 61.605 -1.958 19288 3131 1 8 . 1 1 15 15 ILE CB C 15 39.969 39.969 38.566 1.403 19288 3132 1 8 . 1 1 15 15 ILE H H 15 8.479 8.479 8.661 -0.182 19288 3133 1 8 . 1 1 16 16 CYS N N 16 129.411 129.411 117.432 11.979 19288 3134 1 8 . 1 1 16 16 CYS HA H 16 4.334 4.334 4.577 -0.243 19288 3135 1 8 . 1 1 16 16 CYS C C 16 174.675 174.675 174.935 -0.260 19288 3136 1 8 . 1 1 16 16 CYS CA C 16 61.303 61.303 57.773 3.530 19288 3137 1 8 . 1 1 16 16 CYS CB C 16 30.233 30.233 29.586 0.647 19288 3138 1 8 . 1 1 16 16 CYS H H 16 9.141 9.141 7.750 1.391 19288 3139 1 8 . 1 1 17 17 GLU N N 17 133.830 133.830 127.797 6.033 19288 3140 1 8 . 1 1 17 17 GLU HA H 17 4.200 4.200 3.505 0.695 19288 3141 1 8 . 1 1 17 17 GLU C C 17 175.826 175.826 178.007 -2.181 19288 3142 1 8 . 1 1 17 17 GLU CA C 17 58.616 58.616 59.147 -0.530 19288 3143 1 8 . 1 1 17 17 GLU CB C 17 28.133 28.133 29.191 -1.058 19288 3144 1 8 . 1 1 17 17 GLU H H 17 10.744 10.744 8.496 2.248 19288 3145 1 8 . 1 1 18 18 TYR N N 18 121.850 121.850 121.324 0.526 19288 3146 1 8 . 1 1 18 18 TYR HA H 18 4.316 4.316 4.264 0.052 19288 3147 1 8 . 1 1 18 18 TYR C C 18 176.782 176.782 177.800 -1.018 19288 3148 1 8 . 1 1 18 18 TYR CA C 18 60.371 60.371 61.249 -0.878 19288 3149 1 8 . 1 1 18 18 TYR CB C 18 37.374 37.374 38.222 -0.848 19288 3150 1 8 . 1 1 18 18 TYR H H 18 9.190 9.190 7.341 1.849 19288 3151 1 8 . 1 1 19 19 CYS N N 19 116.138 116.138 118.996 -2.858 19288 3152 1 8 . 1 1 19 19 CYS HA H 19 5.111 5.111 4.241 0.870 19288 3153 1 8 . 1 1 19 19 CYS C C 19 176.019 176.019 176.662 -0.643 19288 3154 1 8 . 1 1 19 19 CYS CA C 19 58.721 58.721 61.911 -3.190 19288 3155 1 8 . 1 1 19 19 CYS CB C 19 32.573 32.573 27.580 4.993 19288 3156 1 8 . 1 1 19 19 CYS H H 19 7.999 7.999 7.625 0.374 19288 3157 1 8 . 1 1 20 20 ALA N N 20 122.058 122.058 122.433 -0.375 19288 3158 1 8 . 1 1 20 20 ALA HA H 20 4.140 4.140 3.386 0.754 19288 3159 1 8 . 1 1 20 20 ALA C C 20 177.014 177.014 178.392 -1.378 19288 3160 1 8 . 1 1 20 20 ALA CA C 20 54.584 54.584 54.645 -0.061 19288 3161 1 8 . 1 1 20 20 ALA CB C 20 17.127 17.127 18.406 -1.279 19288 3162 1 8 . 1 1 20 20 ALA H H 20 8.067 8.067 7.387 0.680 19288 3163 1 8 . 1 1 21 21 ARG N N 21 121.286 121.286 120.173 1.113 19288 3164 1 8 . 1 1 21 21 ARG HA H 21 4.003 4.003 4.015 -0.012 19288 3165 1 8 . 1 1 21 21 ARG C C 21 175.133 175.133 178.494 -3.361 19288 3166 1 8 . 1 1 21 21 ARG CA C 21 58.236 58.236 59.278 -1.042 19288 3167 1 8 . 1 1 21 21 ARG CB C 21 31.677 31.677 29.351 2.326 19288 3168 1 8 . 1 1 21 21 ARG H H 21 7.947 7.947 7.962 -0.015 19288 3169 1 8 . 1 1 22 22 ALA N N 22 123.966 123.966 120.931 3.035 19288 3170 1 8 . 1 1 22 22 ALA HA H 22 5.008 5.008 3.812 1.196 19288 3171 1 8 . 1 1 22 22 ALA C C 22 175.750 175.750 179.545 -3.795 19288 3172 1 8 . 1 1 22 22 ALA CA C 22 50.811 50.811 56.244 -5.433 19288 3173 1 8 . 1 1 22 22 ALA CB C 22 21.928 21.928 18.146 3.782 19288 3174 1 8 . 1 1 22 22 ALA H H 22 7.968 7.968 7.834 0.134 19288 3175 1 8 . 1 1 23 23 PHE N N 23 118.728 118.728 120.045 -1.317 19288 3176 1 8 . 1 1 23 23 PHE HA H 23 4.678 4.678 4.155 0.523 19288 3177 1 8 . 1 1 23 23 PHE C C 23 173.852 173.852 177.797 -3.945 19288 3178 1 8 . 1 1 23 23 PHE CA C 23 57.367 57.367 61.767 -4.400 19288 3179 1 8 . 1 1 23 23 PHE CB C 23 43.458 43.458 39.339 4.119 19288 3180 1 8 . 1 1 23 23 PHE H H 23 9.004 9.004 7.849 1.155 19288 3181 1 8 . 1 1 24 24 LYS N N 24 119.176 119.176 117.180 1.996 19288 3182 1 8 . 1 1 24 24 LYS HA H 24 4.709 4.709 4.390 0.319 19288 3183 1 8 . 1 1 24 24 LYS C C 24 176.934 176.934 178.349 -1.415 19288 3184 1 8 . 1 1 24 24 LYS CA C 24 56.482 56.482 58.561 -2.079 19288 3185 1 8 . 1 1 24 24 LYS CB C 24 33.111 33.111 32.071 1.040 19288 3186 1 8 . 1 1 24 24 LYS H H 24 9.211 9.211 8.249 0.962 19288 3187 1 8 . 1 1 25 25 SER N N 25 110.950 110.950 115.531 -4.581 19288 3188 1 8 . 1 1 25 25 SER HA H 25 4.566 4.566 4.436 0.130 19288 3189 1 8 . 1 1 25 25 SER C C 25 175.671 175.671 175.034 0.637 19288 3190 1 8 . 1 1 25 25 SER CA C 25 55.683 55.683 58.989 -3.306 19288 3191 1 8 . 1 1 25 25 SER CB C 25 66.490 66.490 63.389 3.101 19288 3192 1 8 . 1 1 25 25 SER H H 25 7.474 7.474 7.585 -0.111 19288 3193 1 8 . 1 1 26 26 SER N N 26 119.411 119.411 112.721 6.690 19288 3194 1 8 . 1 1 26 26 SER C C 26 176.269 176.269 175.952 0.317 19288 3195 1 8 . 1 1 26 26 SER CA C 26 60.616 60.616 59.755 0.861 19288 3196 1 8 . 1 1 26 26 SER CB C 26 61.758 61.758 61.373 0.385 19288 3197 1 8 . 1 1 26 26 SER H H 26 8.487 8.487 7.290 1.197 19288 3198 1 8 . 1 1 27 27 HIS HA H 27 4.258 4.258 4.393 -0.135 19288 3199 1 8 . 1 1 27 27 HIS C C 27 173.658 173.658 177.037 -3.379 19288 3200 1 8 . 1 1 27 27 HIS CA C 27 59.581 59.581 58.221 1.360 19288 3201 1 8 . 1 1 27 27 HIS CB C 27 29.913 29.913 29.084 0.829 19288 3202 1 8 . 1 1 28 28 ASN N N 28 117.126 117.126 115.986 1.140 19288 3203 1 8 . 1 1 28 28 ASN HA H 28 4.216 4.216 4.610 -0.394 19288 3204 1 8 . 1 1 28 28 ASN CA C 28 55.547 55.547 52.889 2.658 19288 3205 1 8 . 1 1 28 28 ASN CB C 28 37.634 37.634 36.780 0.854 19288 3206 1 8 . 1 1 28 28 ASN H H 28 7.681 7.681 7.782 -0.101 19288 3207 1 8 . 1 1 29 29 LEU N N 29 121.121 121.121 124.061 -2.940 19288 3208 1 8 . 1 1 29 29 LEU HA H 29 3.177 3.177 4.210 -1.033 19288 3209 1 8 . 1 1 29 29 LEU C C 29 176.205 176.205 176.369 -0.164 19288 3210 1 8 . 1 1 29 29 LEU CA C 29 57.893 57.893 54.569 3.325 19288 3211 1 8 . 1 1 29 29 LEU H H 29 7.300 7.300 7.798 -0.498 19288 3212 1 8 . 1 1 30 30 ALA N N 30 122.058 122.058 122.706 -0.648 19288 3213 1 8 . 1 1 30 30 ALA HA H 30 3.917 3.917 4.105 -0.188 19288 3214 1 8 . 1 1 30 30 ALA C C 30 178.363 178.363 177.651 0.712 19288 3215 1 8 . 1 1 30 30 ALA CA C 30 55.487 55.487 53.504 1.983 19288 3216 1 8 . 1 1 30 30 ALA CB C 30 17.947 17.947 19.456 -1.509 19288 3217 1 8 . 1 1 30 30 ALA H H 30 7.987 7.987 7.694 0.293 19288 3218 1 8 . 1 1 31 31 VAL N N 31 116.442 116.442 119.542 -3.100 19288 3219 1 8 . 1 1 31 31 VAL HA H 31 3.556 3.556 4.246 -0.690 19288 3220 1 8 . 1 1 31 31 VAL C C 31 176.352 176.352 175.066 1.286 19288 3221 1 8 . 1 1 31 31 VAL CA C 31 65.936 65.936 60.075 5.861 19288 3222 1 8 . 1 1 31 31 VAL CB C 31 32.281 32.281 31.077 1.204 19288 3223 1 8 . 1 1 31 31 VAL H H 31 7.636 7.636 7.949 -0.313 19288 3224 1 8 . 1 1 32 32 HIS HA H 32 4.125 4.125 4.333 -0.208 19288 3225 1 8 . 1 1 32 32 HIS C C 32 180.696 180.696 174.724 5.972 19288 3226 1 8 . 1 1 32 32 HIS CA C 32 59.377 59.377 57.843 1.534 19288 3227 1 8 . 1 1 32 32 HIS CB C 32 28.332 28.332 30.206 -1.874 19288 3228 1 8 . 1 1 33 33 ARG N N 33 115.795 115.795 117.390 -1.595 19288 3229 1 8 . 1 1 33 33 ARG HA H 33 3.658 3.658 4.644 -0.986 19288 3230 1 8 . 1 1 33 33 ARG C C 33 178.735 178.735 174.218 4.517 19288 3231 1 8 . 1 1 33 33 ARG CA C 33 60.012 60.012 55.544 4.468 19288 3232 1 8 . 1 1 33 33 ARG CB C 33 31.144 31.144 33.114 -1.970 19288 3233 1 8 . 1 1 33 33 ARG H H 33 8.633 8.633 7.817 0.816 19288 3234 1 8 . 1 1 34 34 MET N N 34 115.672 115.672 122.789 -7.117 19288 3235 1 8 . 1 1 34 34 MET HA H 34 4.211 4.211 5.018 -0.807 19288 3236 1 8 . 1 1 34 34 MET C C 34 176.427 176.427 175.248 1.179 19288 3237 1 8 . 1 1 34 34 MET CA C 34 57.866 57.866 53.897 3.970 19288 3238 1 8 . 1 1 34 34 MET CB C 34 32.221 32.221 35.285 -3.064 19288 3239 1 8 . 1 1 34 34 MET H H 34 7.057 7.057 8.168 -1.111 19288 3240 1 8 . 1 1 35 35 ILE N N 35 116.381 116.381 128.911 -12.530 19288 3241 1 8 . 1 1 35 35 ILE HA H 35 3.904 3.904 4.340 -0.436 19288 3242 1 8 . 1 1 35 35 ILE C C 35 177.504 177.504 175.737 1.767 19288 3243 1 8 . 1 1 35 35 ILE CA C 35 63.402 63.402 60.488 2.914 19288 3244 1 8 . 1 1 35 35 ILE CB C 35 37.724 37.724 37.622 0.102 19288 3245 1 8 . 1 1 35 35 ILE H H 35 7.811 7.811 8.786 -0.975 19288 3246 1 8 . 1 1 36 36 HIS N N 36 117.423 117.423 129.064 -11.641 19288 3247 1 8 . 1 1 36 36 HIS HA H 36 4.481 4.481 4.565 -0.084 19288 3248 1 8 . 1 1 36 36 HIS C C 36 178.413 178.413 173.623 4.790 19288 3249 1 8 . 1 1 36 36 HIS CA C 36 55.260 55.260 56.538 -1.278 19288 3250 1 8 . 1 1 36 36 HIS CB C 36 28.066 28.066 28.776 -0.710 19288 3251 1 8 . 1 1 36 36 HIS H H 36 7.247 7.247 8.853 -1.606 19288 3252 1 8 . 1 1 37 37 THR N N 37 110.804 110.804 119.653 -8.849 19288 3253 1 8 . 1 1 37 37 THR HA H 37 4.160 4.160 4.215 -0.055 19288 3254 1 8 . 1 1 37 37 THR C C 37 177.179 177.179 175.015 2.164 19288 3255 1 8 . 1 1 37 37 THR CA C 37 62.791 62.791 63.295 -0.504 19288 3256 1 8 . 1 1 37 37 THR CB C 37 69.712 69.712 70.234 -0.521 19288 3257 1 8 . 1 1 37 37 THR H H 37 7.553 7.553 8.016 -0.463 19288 3258 1 8 . 1 1 38 38 GLY N N 38 110.842 110.842 109.553 1.289 19288 3259 1 8 . 1 1 38 38 GLY C C 38 175.821 175.821 175.418 0.403 19288 3260 1 8 . 1 1 38 38 GLY CA C 38 45.403 45.403 43.437 1.966 19288 3261 1 8 . 1 1 38 38 GLY H H 38 8.195 8.195 8.539 -0.344 19288 3262 1 8 . 1 1 39 39 GLU N N 39 120.441 120.441 120.916 -0.475 19288 3263 1 8 . 1 1 39 39 GLU HA H 39 4.238 4.238 4.674 -0.436 19288 3264 1 8 . 1 1 39 39 GLU C C 39 175.390 175.390 174.634 0.756 19288 3265 1 8 . 1 1 39 39 GLU CA C 39 56.572 56.572 56.728 -0.156 19288 3266 1 8 . 1 1 39 39 GLU H H 39 7.953 7.953 8.320 -0.367 19288 3267 1 8 . 1 1 40 40 LYS N N 40 123.624 123.624 126.258 -2.634 19288 3268 1 8 . 1 1 40 40 LYS HA H 40 4.534 4.534 4.651 -0.117 19288 3269 1 8 . 1 1 40 40 LYS C C 40 174.124 174.124 173.965 0.159 19288 3270 1 8 . 1 1 40 40 LYS CA C 40 54.236 54.236 56.188 -1.952 19288 3271 1 8 . 1 1 40 40 LYS CB C 40 32.769 32.769 35.831 -3.062 19288 3272 1 8 . 1 1 40 40 LYS H H 40 8.321 8.321 7.979 0.342 19288 3273 1 8 . 1 1 41 41 PRO HA H 41 4.404 4.404 5.041 -0.637 19288 3274 1 8 . 1 1 41 41 PRO C C 41 176.103 176.103 175.492 0.611 19288 3275 1 8 . 1 1 41 41 PRO CA C 41 63.174 63.174 62.590 0.584 19288 3276 1 8 . 1 1 41 41 PRO CB C 41 32.306 32.306 33.146 -0.840 19288 3277 1 8 . 1 1 42 42 LEU N N 42 122.177 122.177 127.016 -4.839 19288 3278 1 8 . 1 1 42 42 LEU HA H 42 4.381 4.381 4.758 -0.377 19288 3279 1 8 . 1 1 42 42 LEU CA C 42 54.626 54.626 52.201 2.425 19288 3280 1 8 . 1 1 42 42 LEU CB C 42 42.719 42.719 44.513 -1.794 19288 3281 1 8 . 1 1 42 42 LEU H H 42 8.293 8.293 8.587 -0.294 19288 3282 1 8 . 1 1 43 43 GLN N N 43 119.188 119.188 117.546 1.642 19288 3283 1 8 . 1 1 43 43 GLN HA H 43 5.181 5.181 4.474 0.707 19288 3284 1 8 . 1 1 43 43 GLN C C 43 176.325 176.325 174.827 1.498 19288 3285 1 8 . 1 1 43 43 GLN CA C 43 53.898 53.898 54.793 -0.895 19288 3286 1 8 . 1 1 43 43 GLN CB C 43 32.969 32.969 28.468 4.501 19288 3287 1 8 . 1 1 43 43 GLN H H 43 8.180 8.180 8.536 -0.356 19288 3288 1 8 . 1 1 44 44 CYS N N 44 127.346 127.346 120.335 7.011 19288 3289 1 8 . 1 1 44 44 CYS HA H 44 4.453 4.453 4.725 -0.272 19288 3290 1 8 . 1 1 44 44 CYS C C 44 175.677 175.677 174.421 1.256 19288 3291 1 8 . 1 1 44 44 CYS CA C 44 59.437 59.437 58.153 1.284 19288 3292 1 8 . 1 1 44 44 CYS CB C 44 30.721 30.721 29.052 1.669 19288 3293 1 8 . 1 1 44 44 CYS H H 44 9.299 9.299 7.598 1.701 19288 3294 1 8 . 1 1 45 45 GLU N N 45 131.846 131.846 126.683 5.163 19288 3295 1 8 . 1 1 45 45 GLU HA H 45 4.178 4.178 4.023 0.155 19288 3296 1 8 . 1 1 45 45 GLU C C 45 174.655 174.655 177.263 -2.608 19288 3297 1 8 . 1 1 45 45 GLU CA C 45 58.342 58.342 59.579 -1.237 19288 3298 1 8 . 1 1 45 45 GLU CB C 45 29.819 29.819 29.540 0.279 19288 3299 1 8 . 1 1 45 45 GLU H H 45 9.602 9.602 9.029 0.573 19288 3300 1 8 . 1 1 46 46 ILE N N 46 121.898 121.898 118.545 3.353 19288 3301 1 8 . 1 1 46 46 ILE HA H 46 3.840 3.840 3.902 -0.062 19288 3302 1 8 . 1 1 46 46 ILE C C 46 177.404 177.404 178.084 -0.680 19288 3303 1 8 . 1 1 46 46 ILE CA C 46 63.494 63.494 64.003 -0.509 19288 3304 1 8 . 1 1 46 46 ILE CB C 46 38.461 38.461 36.937 1.524 19288 3305 1 8 . 1 1 46 46 ILE H H 46 8.973 8.973 8.401 0.572 19288 3306 1 8 . 1 1 47 47 CYS N N 47 117.274 117.274 117.940 -0.666 19288 3307 1 8 . 1 1 47 47 CYS HA H 47 5.231 5.231 4.484 0.747 19288 3308 1 8 . 1 1 47 47 CYS C C 47 176.087 176.087 177.098 -1.011 19288 3309 1 8 . 1 1 47 47 CYS CA C 47 58.455 58.455 61.978 -3.523 19288 3310 1 8 . 1 1 47 47 CYS CB C 47 33.590 33.590 27.792 5.798 19288 3311 1 8 . 1 1 47 47 CYS H H 47 8.432 8.432 7.498 0.934 19288 3312 1 8 . 1 1 48 48 GLY N N 48 112.655 112.655 109.945 2.710 19288 3313 1 8 . 1 1 48 48 GLY C C 48 177.177 177.177 177.043 0.134 19288 3314 1 8 . 1 1 48 48 GLY CA C 48 46.253 46.253 48.250 -1.997 19288 3315 1 8 . 1 1 48 48 GLY H H 48 8.016 8.016 7.694 0.322 19288 3316 1 8 . 1 1 49 49 PHE N N 49 125.000 125.000 120.681 4.319 19288 3317 1 8 . 1 1 49 49 PHE HA H 49 4.272 4.272 4.083 0.189 19288 3318 1 8 . 1 1 49 49 PHE C C 49 176.313 176.313 177.807 -1.494 19288 3319 1 8 . 1 1 49 49 PHE CA C 49 59.750 59.750 61.374 -1.624 19288 3320 1 8 . 1 1 49 49 PHE CB C 49 41.278 41.278 37.993 3.285 19288 3321 1 8 . 1 1 49 49 PHE H H 49 8.333 8.333 8.611 -0.278 19288 3322 1 8 . 1 1 50 50 THR N N 50 118.297 118.297 112.286 6.011 19288 3323 1 8 . 1 1 50 50 THR HA H 50 5.150 5.150 4.092 1.058 19288 3324 1 8 . 1 1 50 50 THR C C 50 173.480 173.480 176.846 -3.366 19288 3325 1 8 . 1 1 50 50 THR CA C 50 59.186 59.186 65.334 -6.147 19288 3326 1 8 . 1 1 50 50 THR CB C 50 71.954 71.954 68.323 3.631 19288 3327 1 8 . 1 1 50 50 THR H H 50 7.336 7.336 7.403 -0.067 19288 3328 1 8 . 1 1 51 51 CYS N N 51 115.101 115.101 120.199 -5.098 19288 3329 1 8 . 1 1 51 51 CYS HA H 51 4.540 4.540 3.824 0.716 19288 3330 1 8 . 1 1 51 51 CYS C C 51 173.381 173.381 177.081 -3.700 19288 3331 1 8 . 1 1 51 51 CYS CA C 51 56.305 56.305 62.907 -6.602 19288 3332 1 8 . 1 1 51 51 CYS CB C 51 30.578 30.578 27.878 2.700 19288 3333 1 8 . 1 1 51 51 CYS H H 51 8.318 8.318 8.280 0.038 19288 3334 1 8 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.355 0.211 19288 3335 1 8 . 1 1 52 52 ARG C C 52 172.494 172.494 177.796 -5.302 19288 3336 1 8 . 1 1 52 52 ARG CA C 52 56.923 56.923 58.150 -1.227 19288 3337 1 8 . 1 1 52 52 ARG CB C 52 31.891 31.891 29.833 2.058 19288 3338 1 8 . 1 1 53 53 GLN N N 53 115.534 115.534 119.383 -3.849 19288 3339 1 8 . 1 1 53 53 GLN HA H 53 4.719 4.719 3.970 0.749 19288 3340 1 8 . 1 1 53 53 GLN CA C 53 54.637 54.637 58.717 -4.080 19288 3341 1 8 . 1 1 53 53 GLN CB C 53 30.904 30.904 28.100 2.804 19288 3342 1 8 . 1 1 53 53 GLN H H 53 7.649 7.649 7.720 -0.071 19288 3343 1 8 . 1 1 54 54 LYS N N 54 127.065 127.065 117.174 9.891 19288 3344 1 8 . 1 1 54 54 LYS HA H 54 3.771 3.771 4.016 -0.245 19288 3345 1 8 . 1 1 54 54 LYS C C 54 176.035 176.035 177.843 -1.808 19288 3346 1 8 . 1 1 54 54 LYS CA C 54 59.833 59.833 58.013 1.820 19288 3347 1 8 . 1 1 54 54 LYS CB C 54 32.087 32.087 31.708 0.379 19288 3348 1 8 . 1 1 54 54 LYS H H 54 9.132 9.132 7.429 1.703 19288 3349 1 8 . 1 1 55 55 ALA N N 55 120.230 120.230 118.270 1.960 19288 3350 1 8 . 1 1 55 55 ALA HA H 55 4.135 4.135 4.306 -0.171 19288 3351 1 8 . 1 1 55 55 ALA C C 55 176.728 176.728 179.010 -2.282 19288 3352 1 8 . 1 1 55 55 ALA CA C 55 55.456 55.456 53.324 2.132 19288 3353 1 8 . 1 1 55 55 ALA CB C 55 18.224 18.224 19.179 -0.955 19288 3354 1 8 . 1 1 55 55 ALA H H 55 9.016 9.016 7.191 1.825 19288 3355 1 8 . 1 1 56 56 SER N N 56 112.225 112.225 115.822 -3.597 19288 3356 1 8 . 1 1 56 56 SER HA H 56 4.509 4.509 4.278 0.231 19288 3357 1 8 . 1 1 56 56 SER C C 56 178.309 178.309 175.038 3.271 19288 3358 1 8 . 1 1 56 56 SER CA C 56 61.172 61.172 59.651 1.521 19288 3359 1 8 . 1 1 56 56 SER CB C 56 62.925 62.925 63.315 -0.390 19288 3360 1 8 . 1 1 56 56 SER H H 56 7.097 7.097 7.760 -0.663 19288 3361 1 8 . 1 1 57 57 LEU N N 57 126.317 126.317 119.618 6.699 19288 3362 1 8 . 1 1 57 57 LEU HA H 57 4.327 4.327 4.321 0.006 19288 3363 1 8 . 1 1 57 57 LEU C C 57 180.642 180.642 176.063 4.579 19288 3364 1 8 . 1 1 57 57 LEU CA C 57 58.038 58.038 54.423 3.615 19288 3365 1 8 . 1 1 57 57 LEU CB C 57 41.443 41.443 42.006 -0.563 19288 3366 1 8 . 1 1 57 57 LEU H H 57 7.667 7.667 7.445 0.222 19288 3367 1 8 . 1 1 58 58 ASN N N 58 118.325 118.325 117.818 0.507 19288 3368 1 8 . 1 1 58 58 ASN HA H 58 4.364 4.364 4.703 -0.339 19288 3369 1 8 . 1 1 58 58 ASN C C 58 176.770 176.770 176.259 0.511 19288 3370 1 8 . 1 1 58 58 ASN CA C 58 56.457 56.457 53.424 3.033 19288 3371 1 8 . 1 1 58 58 ASN CB C 58 37.852 37.852 38.520 -0.668 19288 3372 1 8 . 1 1 58 58 ASN H H 58 8.533 8.533 7.730 0.803 19288 3373 1 8 . 1 1 59 59 TRP N N 59 119.802 119.802 126.846 -7.044 19288 3374 1 8 . 1 1 59 59 TRP HA H 59 4.349 4.349 4.588 -0.239 19288 3375 1 8 . 1 1 59 59 TRP C C 59 178.160 178.160 177.158 1.002 19288 3376 1 8 . 1 1 59 59 TRP CA C 59 60.432 60.432 58.912 1.520 19288 3377 1 8 . 1 1 59 59 TRP CB C 59 29.304 29.304 29.158 0.146 19288 3378 1 8 . 1 1 59 59 TRP H H 59 7.914 7.914 8.158 -0.244 19288 3379 1 8 . 1 1 60 60 HIS N N 60 119.175 119.175 118.352 0.823 19288 3380 1 8 . 1 1 60 60 HIS HA H 60 3.675 3.675 4.527 -0.852 19288 3381 1 8 . 1 1 60 60 HIS C C 60 174.721 174.721 176.266 -1.545 19288 3382 1 8 . 1 1 60 60 HIS CA C 60 60.038 60.038 57.083 2.955 19288 3383 1 8 . 1 1 60 60 HIS CB C 60 28.143 28.143 28.639 -0.496 19288 3384 1 8 . 1 1 60 60 HIS H H 60 8.131 8.131 7.942 0.189 19288 3385 1 8 . 1 1 61 61 MET N N 61 114.602 114.602 117.057 -2.455 19288 3386 1 8 . 1 1 61 61 MET HA H 61 4.127 4.127 4.281 -0.154 19288 3387 1 8 . 1 1 61 61 MET C C 61 178.337 178.337 176.420 1.917 19288 3388 1 8 . 1 1 61 61 MET CA C 61 57.177 57.177 55.525 1.652 19288 3389 1 8 . 1 1 61 61 MET CB C 61 30.085 30.085 31.017 -0.932 19288 3390 1 8 . 1 1 61 61 MET H H 61 8.448 8.448 7.826 0.622 19288 3391 1 8 . 1 1 62 62 LYS N N 62 118.858 118.858 118.687 0.171 19288 3392 1 8 . 1 1 62 62 LYS HA H 62 3.998 3.998 3.505 0.493 19288 3393 1 8 . 1 1 62 62 LYS C C 62 176.716 176.716 176.339 0.377 19288 3394 1 8 . 1 1 62 62 LYS CA C 62 58.512 58.512 57.958 0.554 19288 3395 1 8 . 1 1 62 62 LYS CB C 62 31.694 31.694 32.700 -1.006 19288 3396 1 8 . 1 1 62 62 LYS H H 62 7.285 7.285 7.466 -0.181 19288 3397 1 8 . 1 1 63 63 LYS N N 63 117.683 117.683 117.974 -0.291 19288 3398 1 8 . 1 1 63 63 LYS HA H 63 3.793 3.793 4.502 -0.709 19288 3399 1 8 . 1 1 63 63 LYS C C 63 179.150 179.150 174.737 4.413 19288 3400 1 8 . 1 1 63 63 LYS CA C 63 57.827 57.827 55.155 2.672 19288 3401 1 8 . 1 1 63 63 LYS CB C 63 31.272 31.272 35.929 -4.657 19288 3402 1 8 . 1 1 63 63 LYS H H 63 7.516 7.516 7.654 -0.138 19288 3403 1 8 . 1 1 64 64 HIS N N 64 115.200 115.200 120.035 -4.835 19288 3404 1 8 . 1 1 64 64 HIS HA H 64 4.708 4.708 4.690 0.018 19288 3405 1 8 . 1 1 64 64 HIS C C 64 178.727 178.727 173.324 5.403 19288 3406 1 8 . 1 1 64 64 HIS CA C 64 55.628 55.628 55.296 0.332 19288 3407 1 8 . 1 1 64 64 HIS CB C 64 28.782 28.782 32.335 -3.553 19288 3408 1 8 . 1 1 64 64 HIS H H 64 7.155 7.155 8.303 -1.148 19288 3409 1 8 . 1 1 65 65 ASP N N 65 120.441 120.441 123.057 -2.616 19288 3410 1 8 . 1 1 65 65 ASP HA H 65 4.503 4.503 4.901 -0.398 19288 3411 1 8 . 1 1 65 65 ASP C C 65 177.648 177.648 176.185 1.463 19288 3412 1 8 . 1 1 65 65 ASP CA C 65 55.296 55.296 53.196 2.100 19288 3413 1 8 . 1 1 65 65 ASP CB C 65 41.122 41.122 41.549 -0.427 19288 3414 1 8 . 1 1 65 65 ASP H H 65 7.653 7.653 8.612 -0.959 19288 3415 1 8 . 1 1 66 66 ALA N N 66 123.184 123.184 129.800 -6.616 19288 3416 1 8 . 1 1 66 66 ALA HA H 66 4.141 4.141 4.241 -0.100 19288 3417 1 8 . 1 1 66 66 ALA C C 66 175.172 175.172 178.574 -3.402 19288 3418 1 8 . 1 1 66 66 ALA CA C 66 53.693 53.693 54.338 -0.645 19288 3419 1 8 . 1 1 66 66 ALA CB C 66 19.049 19.049 18.965 0.084 19288 3420 1 8 . 1 1 66 66 ALA H H 66 8.088 8.088 8.684 -0.596 19288 3421 1 8 . 1 1 67 67 ASP N N 67 117.608 117.608 119.693 -2.085 19288 3422 1 8 . 1 1 67 67 ASP HA H 67 4.175 4.175 4.492 -0.317 19288 3423 1 8 . 1 1 67 67 ASP C C 67 176.687 176.687 176.646 0.041 19288 3424 1 8 . 1 1 67 67 ASP CA C 67 54.842 54.842 55.000 -0.158 19288 3425 1 8 . 1 1 67 67 ASP CB C 67 40.957 40.957 41.472 -0.515 19288 3426 1 8 . 1 1 67 67 ASP H H 67 7.999 7.999 8.174 -0.175 19288 3427 1 8 . 1 1 68 68 SER N N 68 114.794 114.794 113.658 1.136 19288 3428 1 8 . 1 1 68 68 SER HA H 68 4.145 4.145 4.778 -0.633 19288 3429 1 8 . 1 1 68 68 SER C C 68 178.056 178.056 174.619 3.437 19288 3430 1 8 . 1 1 68 68 SER CA C 68 59.397 59.397 56.018 3.379 19288 3431 1 8 . 1 1 68 68 SER CB C 68 63.682 63.682 64.118 -0.436 19288 3432 1 8 . 1 1 68 68 SER H H 68 7.797 7.797 7.824 -0.027 19288 3433 1 8 . 1 1 69 69 PHE N N 69 120.277 120.277 122.400 -2.123 19288 3434 1 8 . 1 1 69 69 PHE HA H 69 4.474 4.474 4.559 -0.085 19288 3435 1 8 . 1 1 69 69 PHE C C 69 176.959 176.959 174.916 2.043 19288 3436 1 8 . 1 1 69 69 PHE CA C 69 58.048 58.048 57.844 0.204 19288 3437 1 8 . 1 1 69 69 PHE H H 69 7.850 7.850 8.562 -0.712 19288 3438 1 8 . 1 1 70 70 TYR N N 70 121.023 121.023 123.129 -2.106 19288 3439 1 8 . 1 1 70 70 TYR HA H 70 4.494 4.494 4.049 0.445 19288 3440 1 8 . 1 1 70 70 TYR C C 70 174.330 174.330 174.673 -0.343 19288 3441 1 8 . 1 1 70 70 TYR CA C 70 56.491 56.491 57.452 -0.961 19288 3442 1 8 . 1 1 70 70 TYR CB C 70 37.727 37.727 39.123 -1.396 19288 3443 1 8 . 1 1 70 70 TYR H H 70 7.818 7.818 8.011 -0.193 19288 3444 1 8 . 1 1 71 71 GLN N N 71 119.046 119.046 117.819 1.227 19288 3445 1 8 . 1 1 71 71 GLN HA H 71 4.085 4.085 3.936 0.149 19288 3446 1 8 . 1 1 71 71 GLN C C 71 175.830 175.830 174.104 1.726 19288 3447 1 8 . 1 1 71 71 GLN CA C 71 56.485 56.485 56.236 0.249 19288 3448 1 8 . 1 1 71 71 GLN CB C 71 30.291 30.291 25.695 4.596 19288 3449 1 8 . 1 1 71 71 GLN H H 71 8.352 8.352 7.896 0.456 19288 3450 1 8 . 1 1 72 72 PHE N N 72 117.779 117.779 119.344 -1.565 19288 3451 1 8 . 1 1 72 72 PHE HA H 72 4.850 4.850 5.053 -0.203 19288 3452 1 8 . 1 1 72 72 PHE C C 72 176.323 176.323 175.719 0.604 19288 3453 1 8 . 1 1 72 72 PHE CA C 72 57.157 57.157 56.635 0.522 19288 3454 1 8 . 1 1 72 72 PHE CB C 72 41.106 41.106 42.583 -1.477 19288 3455 1 8 . 1 1 72 72 PHE H H 72 7.901 7.901 7.613 0.288 19288 3456 1 8 . 1 1 73 73 SER N N 73 114.707 114.707 116.227 -1.520 19288 3457 1 8 . 1 1 73 73 SER HA H 73 5.469 5.469 4.479 0.990 19288 3458 1 8 . 1 1 73 73 SER C C 73 175.151 175.151 174.190 0.961 19288 3459 1 8 . 1 1 73 73 SER CA C 73 57.026 57.026 59.715 -2.689 19288 3460 1 8 . 1 1 73 73 SER CB C 73 65.963 65.963 64.288 1.675 19288 3461 1 8 . 1 1 73 73 SER H H 73 8.744 8.744 9.029 -0.285 19288 3462 1 8 . 1 1 74 74 CYS N N 74 124.143 124.143 116.744 7.399 19288 3463 1 8 . 1 1 74 74 CYS HA H 74 4.391 4.391 4.756 -0.365 19288 3464 1 8 . 1 1 74 74 CYS C C 74 174.848 174.848 175.509 -0.661 19288 3465 1 8 . 1 1 74 74 CYS CA C 74 59.743 59.743 57.879 1.864 19288 3466 1 8 . 1 1 74 74 CYS CB C 74 30.581 30.581 29.523 1.058 19288 3467 1 8 . 1 1 74 74 CYS H H 74 9.154 9.154 7.825 1.329 19288 3468 1 8 . 1 1 75 75 ASN HA H 75 4.501 4.501 3.819 0.682 19288 3469 1 8 . 1 1 75 75 ASN C C 75 173.664 173.664 177.053 -3.389 19288 3470 1 8 . 1 1 75 75 ASN CA C 75 55.316 55.316 56.301 -0.985 19288 3471 1 8 . 1 1 75 75 ASN CB C 75 36.774 36.774 38.004 -1.230 19288 3472 1 8 . 1 1 76 76 ILE N N 76 123.143 123.143 119.051 4.092 19288 3473 1 8 . 1 1 76 76 ILE HA H 76 3.908 3.908 3.855 0.053 19288 3474 1 8 . 1 1 76 76 ILE CA C 76 63.223 63.223 64.775 -1.552 19288 3475 1 8 . 1 1 76 76 ILE CB C 76 38.269 38.269 37.766 0.503 19288 3476 1 8 . 1 1 76 76 ILE H H 76 8.921 8.921 8.243 0.678 19288 3477 1 8 . 1 1 77 77 CYS N N 77 116.298 116.298 117.839 -1.541 19288 3478 1 8 . 1 1 77 77 CYS HA H 77 5.159 5.159 3.909 1.250 19288 3479 1 8 . 1 1 77 77 CYS C C 77 174.401 174.401 176.530 -2.129 19288 3480 1 8 . 1 1 77 77 CYS CA C 77 58.394 58.394 61.872 -3.478 19288 3481 1 8 . 1 1 77 77 CYS CB C 77 32.743 32.743 26.809 5.934 19288 3482 1 8 . 1 1 77 77 CYS H H 77 8.243 8.243 7.737 0.506 19288 3483 1 8 . 1 1 78 78 GLY N N 78 113.607 113.607 111.201 2.406 19288 3484 1 8 . 1 1 78 78 GLY C C 78 176.862 176.862 176.257 0.605 19288 3485 1 8 . 1 1 78 78 GLY CA C 78 46.321 46.321 49.129 -2.808 19288 3486 1 8 . 1 1 78 78 GLY H H 78 8.060 8.060 7.074 0.986 19288 3487 1 8 . 1 1 79 79 LYS N N 79 123.134 123.134 120.343 2.791 19288 3488 1 8 . 1 1 79 79 LYS HA H 79 3.950 3.950 3.703 0.247 19288 3489 1 8 . 1 1 79 79 LYS C C 79 176.484 176.484 178.039 -1.555 19288 3490 1 8 . 1 1 79 79 LYS CA C 79 58.342 58.342 60.843 -2.501 19288 3491 1 8 . 1 1 79 79 LYS CB C 79 33.770 33.770 31.663 2.107 19288 3492 1 8 . 1 1 79 79 LYS H H 79 7.977 7.977 7.983 -0.006 19288 3493 1 8 . 1 1 80 80 LYS N N 80 121.440 121.440 119.407 2.033 19288 3494 1 8 . 1 1 80 80 LYS HA H 80 4.884 4.884 3.948 0.936 19288 3495 1 8 . 1 1 80 80 LYS C C 80 173.961 173.961 178.302 -4.341 19288 3496 1 8 . 1 1 80 80 LYS CA C 80 55.524 55.524 59.371 -3.847 19288 3497 1 8 . 1 1 80 80 LYS CB C 80 35.024 35.024 31.437 3.587 19288 3498 1 8 . 1 1 80 80 LYS H H 80 7.918 7.918 7.531 0.387 19288 3499 1 8 . 1 1 81 81 PHE N N 81 116.724 116.724 119.569 -2.845 19288 3500 1 8 . 1 1 81 81 PHE HA H 81 4.598 4.598 4.278 0.320 19288 3501 1 8 . 1 1 81 81 PHE C C 81 174.541 174.541 177.952 -3.411 19288 3502 1 8 . 1 1 81 81 PHE CA C 81 57.359 57.359 61.895 -4.536 19288 3503 1 8 . 1 1 81 81 PHE CB C 81 44.738 44.738 39.298 5.439 19288 3504 1 8 . 1 1 81 81 PHE H H 81 8.725 8.725 7.797 0.928 19288 3505 1 8 . 1 1 82 82 GLU N N 82 120.474 120.474 119.931 0.543 19288 3506 1 8 . 1 1 82 82 GLU HA H 82 4.155 4.155 4.333 -0.178 19288 3507 1 8 . 1 1 82 82 GLU C C 82 175.832 175.832 178.941 -3.109 19288 3508 1 8 . 1 1 82 82 GLU CA C 82 57.900 57.900 59.275 -1.375 19288 3509 1 8 . 1 1 82 82 GLU CB C 82 30.829 30.829 29.764 1.065 19288 3510 1 8 . 1 1 82 82 GLU H H 82 8.775 8.775 8.515 0.260 19288 3511 1 8 . 1 1 83 83 LYS N N 83 114.607 114.607 116.960 -2.353 19288 3512 1 8 . 1 1 83 83 LYS HA H 83 4.607 4.607 4.179 0.427 19288 3513 1 8 . 1 1 83 83 LYS C C 83 174.585 174.585 176.905 -2.320 19288 3514 1 8 . 1 1 83 83 LYS CA C 83 54.369 54.369 58.875 -4.506 19288 3515 1 8 . 1 1 83 83 LYS CB C 83 35.540 35.540 32.226 3.314 19288 3516 1 8 . 1 1 83 83 LYS H H 83 7.547 7.547 7.994 -0.447 19288 3517 1 8 . 1 1 84 84 LYS N N 84 124.921 124.921 117.220 7.701 19288 3518 1 8 . 1 1 84 84 LYS HA H 84 3.073 3.073 4.338 -1.265 19288 3519 1 8 . 1 1 84 84 LYS C C 84 176.545 176.545 178.256 -1.711 19288 3520 1 8 . 1 1 84 84 LYS CA C 84 59.680 59.680 57.251 2.429 19288 3521 1 8 . 1 1 84 84 LYS CB C 84 31.920 31.920 33.270 -1.350 19288 3522 1 8 . 1 1 84 84 LYS H H 84 8.162 8.162 7.312 0.850 19288 3523 1 8 . 1 1 85 85 ASP N N 85 116.468 116.468 118.354 -1.886 19288 3524 1 8 . 1 1 85 85 ASP HA H 85 4.192 4.192 4.346 -0.154 19288 3525 1 8 . 1 1 85 85 ASP C C 85 176.385 176.385 175.798 0.587 19288 3526 1 8 . 1 1 85 85 ASP CA C 85 56.789 56.789 55.687 1.102 19288 3527 1 8 . 1 1 85 85 ASP CB C 85 39.780 39.780 41.042 -1.262 19288 3528 1 8 . 1 1 85 85 ASP H H 85 8.682 8.682 8.046 0.636 19288 3529 1 8 . 1 1 86 86 SER N N 86 114.601 114.601 116.921 -2.320 19288 3530 1 8 . 1 1 86 86 SER HA H 86 4.183 4.183 4.789 -0.606 19288 3531 1 8 . 1 1 86 86 SER C C 86 179.169 179.169 172.245 6.924 19288 3532 1 8 . 1 1 86 86 SER CA C 86 60.939 60.939 55.161 5.778 19288 3533 1 8 . 1 1 86 86 SER CB C 86 62.823 62.823 64.201 -1.378 19288 3534 1 8 . 1 1 86 86 SER H H 86 7.200 7.200 7.600 -0.400 19288 3535 1 8 . 1 1 87 87 VAL HA H 87 2.698 2.698 4.186 -1.488 19288 3536 1 8 . 1 1 87 87 VAL C C 87 178.806 178.806 175.090 3.716 19288 3537 1 8 . 1 1 87 87 VAL CA C 87 66.028 66.028 62.316 3.712 19288 3538 1 8 . 1 1 87 87 VAL CB C 87 31.461 31.461 31.028 0.433 19288 3539 1 8 . 1 1 88 88 VAL N N 88 120.424 120.424 124.244 -3.820 19288 3540 1 8 . 1 1 88 88 VAL HA H 88 3.485 3.485 4.471 -0.986 19288 3541 1 8 . 1 1 88 88 VAL C C 88 176.208 176.208 174.830 1.378 19288 3542 1 8 . 1 1 88 88 VAL CA C 88 66.735 66.735 61.440 5.295 19288 3543 1 8 . 1 1 88 88 VAL CB C 88 31.948 31.948 33.830 -1.882 19288 3544 1 8 . 1 1 88 88 VAL H H 88 7.190 7.190 7.978 -0.788 19288 3545 1 9 . 1 1 10 10 HIS HA H 10 4.620 4.620 4.865 -0.245 19288 3546 1 9 . 1 1 10 10 HIS CA C 10 56.302 56.302 55.362 0.940 19288 3547 1 9 . 1 1 10 10 HIS CB C 10 30.312 30.312 32.306 -1.994 19288 3548 1 9 . 1 1 11 11 MET N N 11 121.464 121.464 124.191 -2.727 19288 3549 1 9 . 1 1 11 11 MET HA H 11 4.387 4.387 4.715 -0.328 19288 3550 1 9 . 1 1 11 11 MET CA C 11 55.835 55.835 55.290 0.545 19288 3551 1 9 . 1 1 11 11 MET CB C 11 32.794 32.794 34.210 -1.416 19288 3552 1 9 . 1 1 11 11 MET H H 11 8.178 8.178 8.474 -0.296 19288 3553 1 9 . 1 1 12 12 ARG N N 12 121.614 121.614 122.390 -0.776 19288 3554 1 9 . 1 1 12 12 ARG HA H 12 4.244 4.244 4.294 -0.050 19288 3555 1 9 . 1 1 12 12 ARG CA C 12 55.802 55.802 57.712 -1.910 19288 3556 1 9 . 1 1 12 12 ARG CB C 12 31.110 31.110 30.673 0.437 19288 3557 1 9 . 1 1 12 12 ARG H H 12 8.209 8.209 8.496 -0.287 19288 3558 1 9 . 1 1 13 13 ASP N N 13 119.634 119.634 118.791 0.843 19288 3559 1 9 . 1 1 13 13 ASP HA H 13 4.667 4.667 4.629 0.038 19288 3560 1 9 . 1 1 13 13 ASP C C 13 175.723 175.723 173.958 1.765 19288 3561 1 9 . 1 1 13 13 ASP CA C 13 54.112 54.112 53.575 0.537 19288 3562 1 9 . 1 1 13 13 ASP CB C 13 42.459 42.459 42.654 -0.195 19288 3563 1 9 . 1 1 13 13 ASP H H 13 7.858 7.858 7.564 0.293 19288 3564 1 9 . 1 1 14 14 TYR N N 14 120.932 120.932 119.598 1.334 19288 3565 1 9 . 1 1 14 14 TYR HA H 14 4.534 4.534 4.779 -0.245 19288 3566 1 9 . 1 1 14 14 TYR C C 14 174.767 174.767 176.377 -1.610 19288 3567 1 9 . 1 1 14 14 TYR CA C 14 57.521 57.521 57.531 -0.010 19288 3568 1 9 . 1 1 14 14 TYR CB C 14 38.608 38.608 42.385 -3.777 19288 3569 1 9 . 1 1 14 14 TYR H H 14 8.676 8.676 8.745 -0.069 19288 3570 1 9 . 1 1 15 15 ILE N N 15 124.585 124.585 124.343 0.242 19288 3571 1 9 . 1 1 15 15 ILE HA H 15 4.714 4.714 3.975 0.739 19288 3572 1 9 . 1 1 15 15 ILE C C 15 175.178 175.178 175.089 0.089 19288 3573 1 9 . 1 1 15 15 ILE CA C 15 59.647 59.647 63.924 -4.277 19288 3574 1 9 . 1 1 15 15 ILE CB C 15 39.969 39.969 38.463 1.506 19288 3575 1 9 . 1 1 15 15 ILE H H 15 8.479 8.479 8.850 -0.371 19288 3576 1 9 . 1 1 16 16 CYS N N 16 129.411 129.411 114.156 15.255 19288 3577 1 9 . 1 1 16 16 CYS HA H 16 4.334 4.334 4.548 -0.214 19288 3578 1 9 . 1 1 16 16 CYS C C 16 174.675 174.675 175.167 -0.492 19288 3579 1 9 . 1 1 16 16 CYS CA C 16 61.303 61.303 57.642 3.661 19288 3580 1 9 . 1 1 16 16 CYS CB C 16 30.233 30.233 31.040 -0.807 19288 3581 1 9 . 1 1 16 16 CYS H H 16 9.141 9.141 7.906 1.235 19288 3582 1 9 . 1 1 17 17 GLU N N 17 133.830 133.830 124.194 9.636 19288 3583 1 9 . 1 1 17 17 GLU HA H 17 4.200 4.200 3.841 0.359 19288 3584 1 9 . 1 1 17 17 GLU C C 17 175.826 175.826 177.982 -2.156 19288 3585 1 9 . 1 1 17 17 GLU CA C 17 58.616 58.616 59.028 -0.412 19288 3586 1 9 . 1 1 17 17 GLU CB C 17 28.133 28.133 29.386 -1.253 19288 3587 1 9 . 1 1 17 17 GLU H H 17 10.744 10.744 8.342 2.402 19288 3588 1 9 . 1 1 18 18 TYR N N 18 121.850 121.850 121.544 0.306 19288 3589 1 9 . 1 1 18 18 TYR HA H 18 4.316 4.316 4.160 0.156 19288 3590 1 9 . 1 1 18 18 TYR C C 18 176.782 176.782 177.430 -0.648 19288 3591 1 9 . 1 1 18 18 TYR CA C 18 60.371 60.371 61.103 -0.733 19288 3592 1 9 . 1 1 18 18 TYR CB C 18 37.374 37.374 38.565 -1.191 19288 3593 1 9 . 1 1 18 18 TYR H H 18 9.190 9.190 8.405 0.785 19288 3594 1 9 . 1 1 19 19 CYS N N 19 116.138 116.138 118.523 -2.385 19288 3595 1 9 . 1 1 19 19 CYS HA H 19 5.111 5.111 4.224 0.887 19288 3596 1 9 . 1 1 19 19 CYS C C 19 176.019 176.019 176.877 -0.858 19288 3597 1 9 . 1 1 19 19 CYS CA C 19 58.721 58.721 61.871 -3.150 19288 3598 1 9 . 1 1 19 19 CYS CB C 19 32.573 32.573 27.151 5.422 19288 3599 1 9 . 1 1 19 19 CYS H H 19 7.999 7.999 7.991 0.008 19288 3600 1 9 . 1 1 20 20 ALA N N 20 122.058 122.058 122.435 -0.377 19288 3601 1 9 . 1 1 20 20 ALA HA H 20 4.140 4.140 3.308 0.832 19288 3602 1 9 . 1 1 20 20 ALA C C 20 177.014 177.014 178.499 -1.485 19288 3603 1 9 . 1 1 20 20 ALA CA C 20 54.584 54.584 54.584 0.000 19288 3604 1 9 . 1 1 20 20 ALA CB C 20 17.127 17.127 18.392 -1.265 19288 3605 1 9 . 1 1 20 20 ALA H H 20 8.067 8.067 7.424 0.643 19288 3606 1 9 . 1 1 21 21 ARG N N 21 121.286 121.286 120.070 1.216 19288 3607 1 9 . 1 1 21 21 ARG HA H 21 4.003 4.003 4.151 -0.148 19288 3608 1 9 . 1 1 21 21 ARG C C 21 175.133 175.133 178.205 -3.072 19288 3609 1 9 . 1 1 21 21 ARG CA C 21 58.236 58.236 58.953 -0.717 19288 3610 1 9 . 1 1 21 21 ARG CB C 21 31.677 31.677 29.461 2.216 19288 3611 1 9 . 1 1 21 21 ARG H H 21 7.947 7.947 7.704 0.243 19288 3612 1 9 . 1 1 22 22 ALA N N 22 123.966 123.966 120.610 3.356 19288 3613 1 9 . 1 1 22 22 ALA HA H 22 5.008 5.008 3.798 1.210 19288 3614 1 9 . 1 1 22 22 ALA C C 22 175.750 175.750 179.349 -3.599 19288 3615 1 9 . 1 1 22 22 ALA CA C 22 50.811 50.811 56.668 -5.857 19288 3616 1 9 . 1 1 22 22 ALA CB C 22 21.928 21.928 18.637 3.291 19288 3617 1 9 . 1 1 22 22 ALA H H 22 7.968 7.968 7.555 0.413 19288 3618 1 9 . 1 1 23 23 PHE N N 23 118.728 118.728 119.973 -1.245 19288 3619 1 9 . 1 1 23 23 PHE HA H 23 4.678 4.678 4.240 0.438 19288 3620 1 9 . 1 1 23 23 PHE C C 23 173.852 173.852 178.265 -4.413 19288 3621 1 9 . 1 1 23 23 PHE CA C 23 57.367 57.367 61.636 -4.269 19288 3622 1 9 . 1 1 23 23 PHE CB C 23 43.458 43.458 39.300 4.158 19288 3623 1 9 . 1 1 23 23 PHE H H 23 9.004 9.004 7.770 1.234 19288 3624 1 9 . 1 1 24 24 LYS N N 24 119.176 119.176 118.308 0.868 19288 3625 1 9 . 1 1 24 24 LYS HA H 24 4.709 4.709 4.426 0.283 19288 3626 1 9 . 1 1 24 24 LYS C C 24 176.934 176.934 179.055 -2.121 19288 3627 1 9 . 1 1 24 24 LYS CA C 24 56.482 56.482 58.567 -2.085 19288 3628 1 9 . 1 1 24 24 LYS CB C 24 33.111 33.111 32.038 1.073 19288 3629 1 9 . 1 1 24 24 LYS H H 24 9.211 9.211 8.273 0.938 19288 3630 1 9 . 1 1 25 25 SER N N 25 110.950 110.950 116.043 -5.093 19288 3631 1 9 . 1 1 25 25 SER HA H 25 4.566 4.566 4.226 0.340 19288 3632 1 9 . 1 1 25 25 SER C C 25 175.671 175.671 174.939 0.732 19288 3633 1 9 . 1 1 25 25 SER CA C 25 55.683 55.683 61.370 -5.687 19288 3634 1 9 . 1 1 25 25 SER CB C 25 66.490 66.490 63.677 2.813 19288 3635 1 9 . 1 1 25 25 SER H H 25 7.474 7.474 7.839 -0.365 19288 3636 1 9 . 1 1 26 26 SER N N 26 119.411 119.411 111.756 7.655 19288 3637 1 9 . 1 1 26 26 SER C C 26 176.269 176.269 176.308 -0.039 19288 3638 1 9 . 1 1 26 26 SER CA C 26 60.616 60.616 59.237 1.379 19288 3639 1 9 . 1 1 26 26 SER CB C 26 61.758 61.758 61.186 0.572 19288 3640 1 9 . 1 1 26 26 SER H H 26 8.487 8.487 7.422 1.065 19288 3641 1 9 . 1 1 27 27 HIS HA H 27 4.258 4.258 4.304 -0.046 19288 3642 1 9 . 1 1 27 27 HIS C C 27 173.658 173.658 176.444 -2.786 19288 3643 1 9 . 1 1 27 27 HIS CA C 27 59.581 59.581 58.477 1.104 19288 3644 1 9 . 1 1 27 27 HIS CB C 27 29.913 29.913 29.127 0.786 19288 3645 1 9 . 1 1 28 28 ASN N N 28 117.126 117.126 113.382 3.744 19288 3646 1 9 . 1 1 28 28 ASN HA H 28 4.216 4.216 4.696 -0.480 19288 3647 1 9 . 1 1 28 28 ASN CA C 28 55.547 55.547 52.822 2.725 19288 3648 1 9 . 1 1 28 28 ASN CB C 28 37.634 37.634 38.828 -1.194 19288 3649 1 9 . 1 1 28 28 ASN H H 28 7.681 7.681 7.626 0.055 19288 3650 1 9 . 1 1 29 29 LEU N N 29 121.121 121.121 122.729 -1.608 19288 3651 1 9 . 1 1 29 29 LEU HA H 29 3.177 3.177 3.919 -0.742 19288 3652 1 9 . 1 1 29 29 LEU C C 29 176.205 176.205 176.844 -0.639 19288 3653 1 9 . 1 1 29 29 LEU CA C 29 57.893 57.893 56.080 1.813 19288 3654 1 9 . 1 1 29 29 LEU H H 29 7.300 7.300 7.859 -0.559 19288 3655 1 9 . 1 1 30 30 ALA N N 30 122.058 122.058 121.328 0.730 19288 3656 1 9 . 1 1 30 30 ALA HA H 30 3.917 3.917 4.390 -0.473 19288 3657 1 9 . 1 1 30 30 ALA C C 30 178.363 178.363 176.437 1.926 19288 3658 1 9 . 1 1 30 30 ALA CA C 30 55.487 55.487 51.580 3.907 19288 3659 1 9 . 1 1 30 30 ALA CB C 30 17.947 17.947 20.528 -2.581 19288 3660 1 9 . 1 1 30 30 ALA H H 30 7.987 7.987 7.423 0.564 19288 3661 1 9 . 1 1 31 31 VAL N N 31 116.442 116.442 118.443 -2.001 19288 3662 1 9 . 1 1 31 31 VAL HA H 31 3.556 3.556 3.946 -0.390 19288 3663 1 9 . 1 1 31 31 VAL C C 31 176.352 176.352 173.785 2.567 19288 3664 1 9 . 1 1 31 31 VAL CA C 31 65.936 65.936 62.500 3.436 19288 3665 1 9 . 1 1 31 31 VAL CB C 31 32.281 32.281 29.703 2.578 19288 3666 1 9 . 1 1 31 31 VAL H H 31 7.636 7.636 7.583 0.053 19288 3667 1 9 . 1 1 32 32 HIS HA H 32 4.125 4.125 4.545 -0.420 19288 3668 1 9 . 1 1 32 32 HIS C C 32 180.696 180.696 173.560 7.136 19288 3669 1 9 . 1 1 32 32 HIS CA C 32 59.377 59.377 54.613 4.764 19288 3670 1 9 . 1 1 32 32 HIS CB C 32 28.332 28.332 30.746 -2.414 19288 3671 1 9 . 1 1 33 33 ARG N N 33 115.795 115.795 118.686 -2.891 19288 3672 1 9 . 1 1 33 33 ARG HA H 33 3.658 3.658 4.648 -0.990 19288 3673 1 9 . 1 1 33 33 ARG C C 33 178.735 178.735 175.388 3.347 19288 3674 1 9 . 1 1 33 33 ARG CA C 33 60.012 60.012 55.909 4.103 19288 3675 1 9 . 1 1 33 33 ARG CB C 33 31.144 31.144 31.539 -0.395 19288 3676 1 9 . 1 1 33 33 ARG H H 33 8.633 8.633 8.237 0.396 19288 3677 1 9 . 1 1 34 34 MET N N 34 115.672 115.672 119.813 -4.141 19288 3678 1 9 . 1 1 34 34 MET HA H 34 4.211 4.211 5.151 -0.940 19288 3679 1 9 . 1 1 34 34 MET C C 34 176.427 176.427 175.553 0.874 19288 3680 1 9 . 1 1 34 34 MET CA C 34 57.866 57.866 53.501 4.365 19288 3681 1 9 . 1 1 34 34 MET CB C 34 32.221 32.221 35.935 -3.715 19288 3682 1 9 . 1 1 34 34 MET H H 34 7.057 7.057 8.332 -1.275 19288 3683 1 9 . 1 1 35 35 ILE N N 35 116.381 116.381 127.901 -11.520 19288 3684 1 9 . 1 1 35 35 ILE HA H 35 3.904 3.904 4.146 -0.242 19288 3685 1 9 . 1 1 35 35 ILE C C 35 177.504 177.504 175.388 2.116 19288 3686 1 9 . 1 1 35 35 ILE CA C 35 63.402 63.402 61.202 2.200 19288 3687 1 9 . 1 1 35 35 ILE CB C 35 37.724 37.724 37.386 0.338 19288 3688 1 9 . 1 1 35 35 ILE H H 35 7.811 7.811 8.966 -1.155 19288 3689 1 9 . 1 1 36 36 HIS N N 36 117.423 117.423 128.625 -11.202 19288 3690 1 9 . 1 1 36 36 HIS HA H 36 4.481 4.481 4.679 -0.198 19288 3691 1 9 . 1 1 36 36 HIS C C 36 178.413 178.413 173.752 4.661 19288 3692 1 9 . 1 1 36 36 HIS CA C 36 55.260 55.260 56.099 -0.839 19288 3693 1 9 . 1 1 36 36 HIS CB C 36 28.066 28.066 28.437 -0.371 19288 3694 1 9 . 1 1 36 36 HIS H H 36 7.247 7.247 8.449 -1.202 19288 3695 1 9 . 1 1 37 37 THR N N 37 110.804 110.804 114.115 -3.311 19288 3696 1 9 . 1 1 37 37 THR HA H 37 4.160 4.160 4.306 -0.146 19288 3697 1 9 . 1 1 37 37 THR C C 37 177.179 177.179 174.307 2.872 19288 3698 1 9 . 1 1 37 37 THR CA C 37 62.791 62.791 62.242 0.549 19288 3699 1 9 . 1 1 37 37 THR CB C 37 69.712 69.712 71.368 -1.656 19288 3700 1 9 . 1 1 37 37 THR H H 37 7.553 7.553 7.640 -0.087 19288 3701 1 9 . 1 1 38 38 GLY N N 38 110.842 110.842 111.094 -0.252 19288 3702 1 9 . 1 1 38 38 GLY C C 38 175.821 175.821 175.635 0.186 19288 3703 1 9 . 1 1 38 38 GLY CA C 38 45.403 45.403 43.007 2.396 19288 3704 1 9 . 1 1 38 38 GLY H H 38 8.195 8.195 7.800 0.395 19288 3705 1 9 . 1 1 39 39 GLU N N 39 120.441 120.441 125.562 -5.121 19288 3706 1 9 . 1 1 39 39 GLU HA H 39 4.238 4.238 4.544 -0.306 19288 3707 1 9 . 1 1 39 39 GLU C C 39 175.390 175.390 174.981 0.409 19288 3708 1 9 . 1 1 39 39 GLU CA C 39 56.572 56.572 56.702 -0.130 19288 3709 1 9 . 1 1 39 39 GLU H H 39 7.953 7.953 8.832 -0.879 19288 3710 1 9 . 1 1 40 40 LYS N N 40 123.624 123.624 126.453 -2.829 19288 3711 1 9 . 1 1 40 40 LYS HA H 40 4.534 4.534 4.532 0.002 19288 3712 1 9 . 1 1 40 40 LYS C C 40 174.124 174.124 174.844 -0.720 19288 3713 1 9 . 1 1 40 40 LYS CA C 40 54.236 54.236 55.362 -1.126 19288 3714 1 9 . 1 1 40 40 LYS CB C 40 32.769 32.769 35.179 -2.410 19288 3715 1 9 . 1 1 40 40 LYS H H 40 8.321 8.321 8.423 -0.102 19288 3716 1 9 . 1 1 41 41 PRO HA H 41 4.404 4.404 5.142 -0.738 19288 3717 1 9 . 1 1 41 41 PRO C C 41 176.103 176.103 176.063 0.040 19288 3718 1 9 . 1 1 41 41 PRO CA C 41 63.174 63.174 62.551 0.623 19288 3719 1 9 . 1 1 41 41 PRO CB C 41 32.306 32.306 32.914 -0.608 19288 3720 1 9 . 1 1 42 42 LEU N N 42 122.177 122.177 126.155 -3.978 19288 3721 1 9 . 1 1 42 42 LEU HA H 42 4.381 4.381 4.708 -0.327 19288 3722 1 9 . 1 1 42 42 LEU CA C 42 54.626 54.626 52.294 2.332 19288 3723 1 9 . 1 1 42 42 LEU CB C 42 42.719 42.719 45.980 -3.261 19288 3724 1 9 . 1 1 42 42 LEU H H 42 8.293 8.293 9.160 -0.867 19288 3725 1 9 . 1 1 43 43 GLN N N 43 119.188 119.188 120.623 -1.435 19288 3726 1 9 . 1 1 43 43 GLN HA H 43 5.181 5.181 4.232 0.949 19288 3727 1 9 . 1 1 43 43 GLN C C 43 176.325 176.325 175.077 1.248 19288 3728 1 9 . 1 1 43 43 GLN CA C 43 53.898 53.898 56.663 -2.764 19288 3729 1 9 . 1 1 43 43 GLN CB C 43 32.969 32.969 29.490 3.479 19288 3730 1 9 . 1 1 43 43 GLN H H 43 8.180 8.180 8.777 -0.597 19288 3731 1 9 . 1 1 44 44 CYS N N 44 127.346 127.346 119.242 8.104 19288 3732 1 9 . 1 1 44 44 CYS HA H 44 4.453 4.453 4.598 -0.145 19288 3733 1 9 . 1 1 44 44 CYS C C 44 175.677 175.677 175.253 0.424 19288 3734 1 9 . 1 1 44 44 CYS CA C 44 59.437 59.437 58.077 1.360 19288 3735 1 9 . 1 1 44 44 CYS CB C 44 30.721 30.721 28.596 2.126 19288 3736 1 9 . 1 1 44 44 CYS H H 44 9.299 9.299 7.961 1.338 19288 3737 1 9 . 1 1 45 45 GLU N N 45 131.846 131.846 125.162 6.684 19288 3738 1 9 . 1 1 45 45 GLU HA H 45 4.178 4.178 4.068 0.110 19288 3739 1 9 . 1 1 45 45 GLU C C 45 174.655 174.655 178.048 -3.393 19288 3740 1 9 . 1 1 45 45 GLU CA C 45 58.342 58.342 59.278 -0.936 19288 3741 1 9 . 1 1 45 45 GLU CB C 45 29.819 29.819 29.153 0.666 19288 3742 1 9 . 1 1 45 45 GLU H H 45 9.602 9.602 9.139 0.463 19288 3743 1 9 . 1 1 46 46 ILE N N 46 121.898 121.898 120.219 1.679 19288 3744 1 9 . 1 1 46 46 ILE HA H 46 3.840 3.840 4.087 -0.247 19288 3745 1 9 . 1 1 46 46 ILE C C 46 177.404 177.404 178.412 -1.008 19288 3746 1 9 . 1 1 46 46 ILE CA C 46 63.494 63.494 64.235 -0.741 19288 3747 1 9 . 1 1 46 46 ILE CB C 46 38.461 38.461 36.851 1.610 19288 3748 1 9 . 1 1 46 46 ILE H H 46 8.973 8.973 8.461 0.512 19288 3749 1 9 . 1 1 47 47 CYS N N 47 117.274 117.274 118.417 -1.143 19288 3750 1 9 . 1 1 47 47 CYS HA H 47 5.231 5.231 4.100 1.131 19288 3751 1 9 . 1 1 47 47 CYS C C 47 176.087 176.087 177.218 -1.131 19288 3752 1 9 . 1 1 47 47 CYS CA C 47 58.455 58.455 62.021 -3.566 19288 3753 1 9 . 1 1 47 47 CYS CB C 47 33.590 33.590 27.486 6.104 19288 3754 1 9 . 1 1 47 47 CYS H H 47 8.432 8.432 7.506 0.926 19288 3755 1 9 . 1 1 48 48 GLY N N 48 112.655 112.655 109.014 3.641 19288 3756 1 9 . 1 1 48 48 GLY C C 48 177.177 177.177 176.676 0.501 19288 3757 1 9 . 1 1 48 48 GLY CA C 48 46.253 46.253 48.048 -1.795 19288 3758 1 9 . 1 1 48 48 GLY H H 48 8.016 8.016 7.624 0.392 19288 3759 1 9 . 1 1 49 49 PHE N N 49 125.000 125.000 118.573 6.427 19288 3760 1 9 . 1 1 49 49 PHE HA H 49 4.272 4.272 4.294 -0.022 19288 3761 1 9 . 1 1 49 49 PHE C C 49 176.313 176.313 177.592 -1.279 19288 3762 1 9 . 1 1 49 49 PHE CA C 49 59.750 59.750 61.528 -1.778 19288 3763 1 9 . 1 1 49 49 PHE CB C 49 41.278 41.278 39.303 1.975 19288 3764 1 9 . 1 1 49 49 PHE H H 49 8.333 8.333 8.395 -0.062 19288 3765 1 9 . 1 1 50 50 THR N N 50 118.297 118.297 110.567 7.730 19288 3766 1 9 . 1 1 50 50 THR HA H 50 5.150 5.150 4.348 0.802 19288 3767 1 9 . 1 1 50 50 THR C C 50 173.480 173.480 176.281 -2.801 19288 3768 1 9 . 1 1 50 50 THR CA C 50 59.186 59.186 64.671 -5.485 19288 3769 1 9 . 1 1 50 50 THR CB C 50 71.954 71.954 69.034 2.920 19288 3770 1 9 . 1 1 50 50 THR H H 50 7.336 7.336 7.812 -0.476 19288 3771 1 9 . 1 1 51 51 CYS N N 51 115.101 115.101 120.334 -5.233 19288 3772 1 9 . 1 1 51 51 CYS HA H 51 4.540 4.540 4.285 0.255 19288 3773 1 9 . 1 1 51 51 CYS C C 51 173.381 173.381 177.393 -4.012 19288 3774 1 9 . 1 1 51 51 CYS CA C 51 56.305 56.305 62.431 -6.126 19288 3775 1 9 . 1 1 51 51 CYS CB C 51 30.578 30.578 28.724 1.854 19288 3776 1 9 . 1 1 51 51 CYS H H 51 8.318 8.318 7.602 0.716 19288 3777 1 9 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.205 0.361 19288 3778 1 9 . 1 1 52 52 ARG C C 52 172.494 172.494 177.209 -4.715 19288 3779 1 9 . 1 1 52 52 ARG CA C 52 56.923 56.923 59.933 -3.010 19288 3780 1 9 . 1 1 52 52 ARG CB C 52 31.891 31.891 30.329 1.562 19288 3781 1 9 . 1 1 53 53 GLN N N 53 115.534 115.534 117.738 -2.204 19288 3782 1 9 . 1 1 53 53 GLN HA H 53 4.719 4.719 4.009 0.710 19288 3783 1 9 . 1 1 53 53 GLN CA C 53 54.637 54.637 58.362 -3.725 19288 3784 1 9 . 1 1 53 53 GLN CB C 53 30.904 30.904 28.064 2.840 19288 3785 1 9 . 1 1 53 53 GLN H H 53 7.649 7.649 8.281 -0.632 19288 3786 1 9 . 1 1 54 54 LYS N N 54 127.065 127.065 116.613 10.452 19288 3787 1 9 . 1 1 54 54 LYS HA H 54 3.771 3.771 4.075 -0.304 19288 3788 1 9 . 1 1 54 54 LYS C C 54 176.035 176.035 178.449 -2.414 19288 3789 1 9 . 1 1 54 54 LYS CA C 54 59.833 59.833 58.265 1.568 19288 3790 1 9 . 1 1 54 54 LYS CB C 54 32.087 32.087 32.264 -0.177 19288 3791 1 9 . 1 1 54 54 LYS H H 54 9.132 9.132 7.330 1.802 19288 3792 1 9 . 1 1 55 55 ALA N N 55 120.230 120.230 120.366 -0.136 19288 3793 1 9 . 1 1 55 55 ALA HA H 55 4.135 4.135 4.466 -0.331 19288 3794 1 9 . 1 1 55 55 ALA C C 55 176.728 176.728 179.323 -2.595 19288 3795 1 9 . 1 1 55 55 ALA CA C 55 55.456 55.456 53.737 1.719 19288 3796 1 9 . 1 1 55 55 ALA CB C 55 18.224 18.224 18.835 -0.611 19288 3797 1 9 . 1 1 55 55 ALA H H 55 9.016 9.016 7.269 1.747 19288 3798 1 9 . 1 1 56 56 SER N N 56 112.225 112.225 116.669 -4.444 19288 3799 1 9 . 1 1 56 56 SER HA H 56 4.509 4.509 4.202 0.307 19288 3800 1 9 . 1 1 56 56 SER C C 56 178.309 178.309 175.177 3.132 19288 3801 1 9 . 1 1 56 56 SER CA C 56 61.172 61.172 61.490 -0.318 19288 3802 1 9 . 1 1 56 56 SER CB C 56 62.925 62.925 63.266 -0.341 19288 3803 1 9 . 1 1 56 56 SER H H 56 7.097 7.097 7.606 -0.509 19288 3804 1 9 . 1 1 57 57 LEU N N 57 126.317 126.317 117.508 8.809 19288 3805 1 9 . 1 1 57 57 LEU HA H 57 4.327 4.327 4.422 -0.095 19288 3806 1 9 . 1 1 57 57 LEU C C 57 180.642 180.642 176.235 4.407 19288 3807 1 9 . 1 1 57 57 LEU CA C 57 58.038 58.038 55.239 2.799 19288 3808 1 9 . 1 1 57 57 LEU CB C 57 41.443 41.443 41.461 -0.018 19288 3809 1 9 . 1 1 57 57 LEU H H 57 7.667 7.667 8.282 -0.615 19288 3810 1 9 . 1 1 58 58 ASN N N 58 118.325 118.325 116.935 1.390 19288 3811 1 9 . 1 1 58 58 ASN HA H 58 4.364 4.364 4.894 -0.530 19288 3812 1 9 . 1 1 58 58 ASN C C 58 176.770 176.770 175.916 0.854 19288 3813 1 9 . 1 1 58 58 ASN CA C 58 56.457 56.457 52.640 3.817 19288 3814 1 9 . 1 1 58 58 ASN CB C 58 37.852 37.852 39.078 -1.226 19288 3815 1 9 . 1 1 58 58 ASN H H 58 8.533 8.533 7.676 0.857 19288 3816 1 9 . 1 1 59 59 TRP N N 59 119.802 119.802 122.020 -2.218 19288 3817 1 9 . 1 1 59 59 TRP HA H 59 4.349 4.349 3.347 1.002 19288 3818 1 9 . 1 1 59 59 TRP C C 59 178.160 178.160 177.454 0.706 19288 3819 1 9 . 1 1 59 59 TRP CA C 59 60.432 60.432 58.802 1.630 19288 3820 1 9 . 1 1 59 59 TRP CB C 59 29.304 29.304 28.997 0.307 19288 3821 1 9 . 1 1 59 59 TRP H H 59 7.914 7.914 8.171 -0.257 19288 3822 1 9 . 1 1 60 60 HIS N N 60 119.175 119.175 119.906 -0.731 19288 3823 1 9 . 1 1 60 60 HIS HA H 60 3.675 3.675 4.196 -0.521 19288 3824 1 9 . 1 1 60 60 HIS C C 60 174.721 174.721 175.743 -1.022 19288 3825 1 9 . 1 1 60 60 HIS CA C 60 60.038 60.038 57.633 2.405 19288 3826 1 9 . 1 1 60 60 HIS CB C 60 28.143 28.143 29.492 -1.349 19288 3827 1 9 . 1 1 60 60 HIS H H 60 8.131 8.131 7.880 0.251 19288 3828 1 9 . 1 1 61 61 MET N N 61 114.602 114.602 115.006 -0.404 19288 3829 1 9 . 1 1 61 61 MET HA H 61 4.127 4.127 3.982 0.145 19288 3830 1 9 . 1 1 61 61 MET C C 61 178.337 178.337 177.504 0.833 19288 3831 1 9 . 1 1 61 61 MET CA C 61 57.177 57.177 57.170 0.007 19288 3832 1 9 . 1 1 61 61 MET CB C 61 30.085 30.085 31.264 -1.179 19288 3833 1 9 . 1 1 61 61 MET H H 61 8.448 8.448 7.131 1.317 19288 3834 1 9 . 1 1 62 62 LYS N N 62 118.858 118.858 119.584 -0.726 19288 3835 1 9 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.151 -0.153 19288 3836 1 9 . 1 1 62 62 LYS C C 62 176.716 176.716 176.256 0.460 19288 3837 1 9 . 1 1 62 62 LYS CA C 62 58.512 58.512 56.866 1.646 19288 3838 1 9 . 1 1 62 62 LYS CB C 62 31.694 31.694 34.575 -2.881 19288 3839 1 9 . 1 1 62 62 LYS H H 62 7.285 7.285 7.484 -0.199 19288 3840 1 9 . 1 1 63 63 LYS N N 63 117.683 117.683 117.593 0.090 19288 3841 1 9 . 1 1 63 63 LYS HA H 63 3.793 3.793 4.395 -0.602 19288 3842 1 9 . 1 1 63 63 LYS C C 63 179.150 179.150 174.857 4.293 19288 3843 1 9 . 1 1 63 63 LYS CA C 63 57.827 57.827 55.400 2.427 19288 3844 1 9 . 1 1 63 63 LYS CB C 63 31.272 31.272 35.692 -4.420 19288 3845 1 9 . 1 1 63 63 LYS H H 63 7.516 7.516 8.085 -0.569 19288 3846 1 9 . 1 1 64 64 HIS N N 64 115.200 115.200 120.615 -5.415 19288 3847 1 9 . 1 1 64 64 HIS HA H 64 4.708 4.708 4.650 0.058 19288 3848 1 9 . 1 1 64 64 HIS C C 64 178.727 178.727 173.142 5.585 19288 3849 1 9 . 1 1 64 64 HIS CA C 64 55.628 55.628 55.144 0.484 19288 3850 1 9 . 1 1 64 64 HIS CB C 64 28.782 28.782 31.845 -3.063 19288 3851 1 9 . 1 1 64 64 HIS H H 64 7.155 7.155 8.316 -1.161 19288 3852 1 9 . 1 1 65 65 ASP N N 65 120.441 120.441 121.129 -0.688 19288 3853 1 9 . 1 1 65 65 ASP HA H 65 4.503 4.503 4.855 -0.352 19288 3854 1 9 . 1 1 65 65 ASP C C 65 177.648 177.648 176.139 1.509 19288 3855 1 9 . 1 1 65 65 ASP CA C 65 55.296 55.296 53.644 1.652 19288 3856 1 9 . 1 1 65 65 ASP CB C 65 41.122 41.122 43.063 -1.941 19288 3857 1 9 . 1 1 65 65 ASP H H 65 7.653 7.653 8.488 -0.835 19288 3858 1 9 . 1 1 66 66 ALA N N 66 123.184 123.184 128.526 -5.342 19288 3859 1 9 . 1 1 66 66 ALA HA H 66 4.141 4.141 4.113 0.028 19288 3860 1 9 . 1 1 66 66 ALA C C 66 175.172 175.172 178.585 -3.413 19288 3861 1 9 . 1 1 66 66 ALA CA C 66 53.693 53.693 54.878 -1.185 19288 3862 1 9 . 1 1 66 66 ALA CB C 66 19.049 19.049 19.086 -0.037 19288 3863 1 9 . 1 1 66 66 ALA H H 66 8.088 8.088 8.535 -0.447 19288 3864 1 9 . 1 1 67 67 ASP N N 67 117.608 117.608 118.740 -1.132 19288 3865 1 9 . 1 1 67 67 ASP HA H 67 4.175 4.175 4.460 -0.285 19288 3866 1 9 . 1 1 67 67 ASP C C 67 176.687 176.687 176.521 0.166 19288 3867 1 9 . 1 1 67 67 ASP CA C 67 54.842 54.842 54.961 -0.119 19288 3868 1 9 . 1 1 67 67 ASP CB C 67 40.957 40.957 41.203 -0.246 19288 3869 1 9 . 1 1 67 67 ASP H H 67 7.999 7.999 8.194 -0.195 19288 3870 1 9 . 1 1 68 68 SER N N 68 114.794 114.794 113.950 0.844 19288 3871 1 9 . 1 1 68 68 SER HA H 68 4.145 4.145 4.783 -0.638 19288 3872 1 9 . 1 1 68 68 SER C C 68 178.056 178.056 174.663 3.393 19288 3873 1 9 . 1 1 68 68 SER CA C 68 59.397 59.397 56.064 3.333 19288 3874 1 9 . 1 1 68 68 SER CB C 68 63.682 63.682 63.436 0.246 19288 3875 1 9 . 1 1 68 68 SER H H 68 7.797 7.797 8.062 -0.265 19288 3876 1 9 . 1 1 69 69 PHE N N 69 120.277 120.277 122.060 -1.783 19288 3877 1 9 . 1 1 69 69 PHE HA H 69 4.474 4.474 4.676 -0.202 19288 3878 1 9 . 1 1 69 69 PHE C C 69 176.959 176.959 174.734 2.225 19288 3879 1 9 . 1 1 69 69 PHE CA C 69 58.048 58.048 57.194 0.854 19288 3880 1 9 . 1 1 69 69 PHE H H 69 7.850 7.850 8.540 -0.690 19288 3881 1 9 . 1 1 70 70 TYR N N 70 121.023 121.023 121.587 -0.564 19288 3882 1 9 . 1 1 70 70 TYR HA H 70 4.494 4.494 4.120 0.374 19288 3883 1 9 . 1 1 70 70 TYR C C 70 174.330 174.330 175.035 -0.705 19288 3884 1 9 . 1 1 70 70 TYR CA C 70 56.491 56.491 57.597 -1.106 19288 3885 1 9 . 1 1 70 70 TYR CB C 70 37.727 37.727 39.172 -1.445 19288 3886 1 9 . 1 1 70 70 TYR H H 70 7.818 7.818 7.990 -0.172 19288 3887 1 9 . 1 1 71 71 GLN N N 71 119.046 119.046 116.849 2.197 19288 3888 1 9 . 1 1 71 71 GLN HA H 71 4.085 4.085 3.893 0.192 19288 3889 1 9 . 1 1 71 71 GLN C C 71 175.830 175.830 174.185 1.645 19288 3890 1 9 . 1 1 71 71 GLN CA C 71 56.485 56.485 56.319 0.166 19288 3891 1 9 . 1 1 71 71 GLN CB C 71 30.291 30.291 25.745 4.546 19288 3892 1 9 . 1 1 71 71 GLN H H 71 8.352 8.352 7.995 0.357 19288 3893 1 9 . 1 1 72 72 PHE N N 72 117.779 117.779 117.993 -0.214 19288 3894 1 9 . 1 1 72 72 PHE HA H 72 4.850 4.850 4.689 0.161 19288 3895 1 9 . 1 1 72 72 PHE C C 72 176.323 176.323 175.874 0.449 19288 3896 1 9 . 1 1 72 72 PHE CA C 72 57.157 57.157 55.776 1.381 19288 3897 1 9 . 1 1 72 72 PHE CB C 72 41.106 41.106 40.630 0.476 19288 3898 1 9 . 1 1 72 72 PHE H H 72 7.901 7.901 7.655 0.246 19288 3899 1 9 . 1 1 73 73 SER N N 73 114.707 114.707 117.877 -3.170 19288 3900 1 9 . 1 1 73 73 SER HA H 73 5.469 5.469 4.468 1.001 19288 3901 1 9 . 1 1 73 73 SER C C 73 175.151 175.151 174.571 0.580 19288 3902 1 9 . 1 1 73 73 SER CA C 73 57.026 57.026 59.450 -2.424 19288 3903 1 9 . 1 1 73 73 SER CB C 73 65.963 65.963 63.676 2.287 19288 3904 1 9 . 1 1 73 73 SER H H 73 8.744 8.744 8.864 -0.120 19288 3905 1 9 . 1 1 74 74 CYS N N 74 124.143 124.143 116.947 7.196 19288 3906 1 9 . 1 1 74 74 CYS HA H 74 4.391 4.391 5.207 -0.816 19288 3907 1 9 . 1 1 74 74 CYS C C 74 174.848 174.848 176.033 -1.185 19288 3908 1 9 . 1 1 74 74 CYS CA C 74 59.743 59.743 57.826 1.917 19288 3909 1 9 . 1 1 74 74 CYS CB C 74 30.581 30.581 30.387 0.194 19288 3910 1 9 . 1 1 74 74 CYS H H 74 9.154 9.154 7.771 1.383 19288 3911 1 9 . 1 1 75 75 ASN HA H 75 4.501 4.501 4.299 0.202 19288 3912 1 9 . 1 1 75 75 ASN C C 75 173.664 173.664 177.138 -3.474 19288 3913 1 9 . 1 1 75 75 ASN CA C 75 55.316 55.316 56.760 -1.444 19288 3914 1 9 . 1 1 75 75 ASN CB C 75 36.774 36.774 38.431 -1.657 19288 3915 1 9 . 1 1 76 76 ILE N N 76 123.143 123.143 118.724 4.419 19288 3916 1 9 . 1 1 76 76 ILE HA H 76 3.908 3.908 3.916 -0.008 19288 3917 1 9 . 1 1 76 76 ILE CA C 76 63.223 63.223 64.689 -1.466 19288 3918 1 9 . 1 1 76 76 ILE CB C 76 38.269 38.269 37.479 0.790 19288 3919 1 9 . 1 1 76 76 ILE H H 76 8.921 8.921 8.263 0.658 19288 3920 1 9 . 1 1 77 77 CYS N N 77 116.298 116.298 118.805 -2.507 19288 3921 1 9 . 1 1 77 77 CYS HA H 77 5.159 5.159 3.885 1.274 19288 3922 1 9 . 1 1 77 77 CYS C C 77 174.401 174.401 176.397 -1.996 19288 3923 1 9 . 1 1 77 77 CYS CA C 77 58.394 58.394 61.425 -3.031 19288 3924 1 9 . 1 1 77 77 CYS CB C 77 32.743 32.743 27.243 5.500 19288 3925 1 9 . 1 1 77 77 CYS H H 77 8.243 8.243 7.422 0.821 19288 3926 1 9 . 1 1 78 78 GLY N N 78 113.607 113.607 110.732 2.875 19288 3927 1 9 . 1 1 78 78 GLY C C 78 176.862 176.862 175.825 1.037 19288 3928 1 9 . 1 1 78 78 GLY CA C 78 46.321 46.321 48.475 -2.154 19288 3929 1 9 . 1 1 78 78 GLY H H 78 8.060 8.060 7.160 0.900 19288 3930 1 9 . 1 1 79 79 LYS N N 79 123.134 123.134 119.128 4.006 19288 3931 1 9 . 1 1 79 79 LYS HA H 79 3.950 3.950 3.864 0.086 19288 3932 1 9 . 1 1 79 79 LYS C C 79 176.484 176.484 177.839 -1.355 19288 3933 1 9 . 1 1 79 79 LYS CA C 79 58.342 58.342 59.504 -1.162 19288 3934 1 9 . 1 1 79 79 LYS CB C 79 33.770 33.770 31.860 1.910 19288 3935 1 9 . 1 1 79 79 LYS H H 79 7.977 7.977 7.569 0.408 19288 3936 1 9 . 1 1 80 80 LYS N N 80 121.440 121.440 119.325 2.115 19288 3937 1 9 . 1 1 80 80 LYS HA H 80 4.884 4.884 4.026 0.858 19288 3938 1 9 . 1 1 80 80 LYS C C 80 173.961 173.961 178.357 -4.396 19288 3939 1 9 . 1 1 80 80 LYS CA C 80 55.524 55.524 59.055 -3.531 19288 3940 1 9 . 1 1 80 80 LYS CB C 80 35.024 35.024 31.464 3.560 19288 3941 1 9 . 1 1 80 80 LYS H H 80 7.918 7.918 7.343 0.575 19288 3942 1 9 . 1 1 81 81 PHE N N 81 116.724 116.724 120.183 -3.459 19288 3943 1 9 . 1 1 81 81 PHE HA H 81 4.598 4.598 4.309 0.289 19288 3944 1 9 . 1 1 81 81 PHE C C 81 174.541 174.541 177.760 -3.219 19288 3945 1 9 . 1 1 81 81 PHE CA C 81 57.359 57.359 61.906 -4.547 19288 3946 1 9 . 1 1 81 81 PHE CB C 81 44.738 44.738 39.255 5.483 19288 3947 1 9 . 1 1 81 81 PHE H H 81 8.725 8.725 7.767 0.958 19288 3948 1 9 . 1 1 82 82 GLU N N 82 120.474 120.474 119.946 0.528 19288 3949 1 9 . 1 1 82 82 GLU HA H 82 4.155 4.155 4.167 -0.012 19288 3950 1 9 . 1 1 82 82 GLU C C 82 175.832 175.832 179.050 -3.218 19288 3951 1 9 . 1 1 82 82 GLU CA C 82 57.900 57.900 59.732 -1.832 19288 3952 1 9 . 1 1 82 82 GLU CB C 82 30.829 30.829 29.667 1.162 19288 3953 1 9 . 1 1 82 82 GLU H H 82 8.775 8.775 7.842 0.933 19288 3954 1 9 . 1 1 83 83 LYS N N 83 114.607 114.607 116.977 -2.370 19288 3955 1 9 . 1 1 83 83 LYS HA H 83 4.607 4.607 4.135 0.472 19288 3956 1 9 . 1 1 83 83 LYS C C 83 174.585 174.585 177.595 -3.010 19288 3957 1 9 . 1 1 83 83 LYS CA C 83 54.369 54.369 59.041 -4.672 19288 3958 1 9 . 1 1 83 83 LYS CB C 83 35.540 35.540 32.065 3.475 19288 3959 1 9 . 1 1 83 83 LYS H H 83 7.547 7.547 8.002 -0.455 19288 3960 1 9 . 1 1 84 84 LYS N N 84 124.921 124.921 115.531 9.390 19288 3961 1 9 . 1 1 84 84 LYS HA H 84 3.073 3.073 4.397 -1.324 19288 3962 1 9 . 1 1 84 84 LYS C C 84 176.545 176.545 177.878 -1.333 19288 3963 1 9 . 1 1 84 84 LYS CA C 84 59.680 59.680 57.239 2.441 19288 3964 1 9 . 1 1 84 84 LYS CB C 84 31.920 31.920 33.334 -1.414 19288 3965 1 9 . 1 1 84 84 LYS H H 84 8.162 8.162 7.479 0.683 19288 3966 1 9 . 1 1 85 85 ASP N N 85 116.468 116.468 118.881 -2.413 19288 3967 1 9 . 1 1 85 85 ASP HA H 85 4.192 4.192 4.407 -0.215 19288 3968 1 9 . 1 1 85 85 ASP C C 85 176.385 176.385 175.838 0.547 19288 3969 1 9 . 1 1 85 85 ASP CA C 85 56.789 56.789 55.463 1.326 19288 3970 1 9 . 1 1 85 85 ASP CB C 85 39.780 39.780 41.707 -1.927 19288 3971 1 9 . 1 1 85 85 ASP H H 85 8.682 8.682 8.170 0.512 19288 3972 1 9 . 1 1 86 86 SER N N 86 114.601 114.601 117.534 -2.933 19288 3973 1 9 . 1 1 86 86 SER HA H 86 4.183 4.183 4.845 -0.661 19288 3974 1 9 . 1 1 86 86 SER C C 86 179.169 179.169 172.127 7.042 19288 3975 1 9 . 1 1 86 86 SER CA C 86 60.939 60.939 54.985 5.954 19288 3976 1 9 . 1 1 86 86 SER CB C 86 62.823 62.823 63.439 -0.616 19288 3977 1 9 . 1 1 86 86 SER H H 86 7.200 7.200 7.728 -0.528 19288 3978 1 9 . 1 1 87 87 VAL HA H 87 2.698 2.698 4.103 -1.405 19288 3979 1 9 . 1 1 87 87 VAL C C 87 178.806 178.806 174.968 3.838 19288 3980 1 9 . 1 1 87 87 VAL CA C 87 66.028 66.028 62.406 3.622 19288 3981 1 9 . 1 1 87 87 VAL CB C 87 31.461 31.461 30.774 0.687 19288 3982 1 9 . 1 1 88 88 VAL N N 88 120.424 120.424 123.921 -3.497 19288 3983 1 9 . 1 1 88 88 VAL HA H 88 3.485 3.485 4.406 -0.921 19288 3984 1 9 . 1 1 88 88 VAL C C 88 176.208 176.208 174.244 1.964 19288 3985 1 9 . 1 1 88 88 VAL CA C 88 66.735 66.735 61.538 5.197 19288 3986 1 9 . 1 1 88 88 VAL CB C 88 31.948 31.948 34.256 -2.308 19288 3987 1 9 . 1 1 88 88 VAL H H 88 7.190 7.190 7.972 -0.782 19288 3988 1 10 . 1 1 10 10 HIS HA H 10 4.620 4.620 4.981 -0.361 19288 3989 1 10 . 1 1 10 10 HIS CA C 10 56.302 56.302 54.410 1.892 19288 3990 1 10 . 1 1 10 10 HIS CB C 10 30.312 30.312 31.719 -1.407 19288 3991 1 10 . 1 1 11 11 MET N N 11 121.464 121.464 123.430 -1.966 19288 3992 1 10 . 1 1 11 11 MET HA H 11 4.387 4.387 4.620 -0.233 19288 3993 1 10 . 1 1 11 11 MET CA C 11 55.835 55.835 55.280 0.555 19288 3994 1 10 . 1 1 11 11 MET CB C 11 32.794 32.794 34.226 -1.432 19288 3995 1 10 . 1 1 11 11 MET H H 11 8.178 8.178 8.040 0.138 19288 3996 1 10 . 1 1 12 12 ARG N N 12 121.614 121.614 119.365 2.249 19288 3997 1 10 . 1 1 12 12 ARG HA H 12 4.244 4.244 4.816 -0.572 19288 3998 1 10 . 1 1 12 12 ARG CA C 12 55.802 55.802 57.036 -1.234 19288 3999 1 10 . 1 1 12 12 ARG CB C 12 31.110 31.110 31.712 -0.602 19288 4000 1 10 . 1 1 12 12 ARG H H 12 8.209 8.209 8.807 -0.598 19288 4001 1 10 . 1 1 13 13 ASP N N 13 119.634 119.634 119.466 0.168 19288 4002 1 10 . 1 1 13 13 ASP HA H 13 4.667 4.667 4.606 0.061 19288 4003 1 10 . 1 1 13 13 ASP C C 13 175.723 175.723 173.634 2.089 19288 4004 1 10 . 1 1 13 13 ASP CA C 13 54.112 54.112 53.648 0.464 19288 4005 1 10 . 1 1 13 13 ASP CB C 13 42.459 42.459 42.179 0.279 19288 4006 1 10 . 1 1 13 13 ASP H H 13 7.858 7.858 7.449 0.409 19288 4007 1 10 . 1 1 14 14 TYR N N 14 120.932 120.932 117.316 3.616 19288 4008 1 10 . 1 1 14 14 TYR HA H 14 4.534 4.534 4.904 -0.370 19288 4009 1 10 . 1 1 14 14 TYR C C 14 174.767 174.767 175.781 -1.014 19288 4010 1 10 . 1 1 14 14 TYR CA C 14 57.521 57.521 57.530 -0.009 19288 4011 1 10 . 1 1 14 14 TYR CB C 14 38.608 38.608 42.581 -3.973 19288 4012 1 10 . 1 1 14 14 TYR H H 14 8.676 8.676 8.423 0.253 19288 4013 1 10 . 1 1 15 15 ILE N N 15 124.585 124.585 121.438 3.147 19288 4014 1 10 . 1 1 15 15 ILE HA H 15 4.714 4.714 4.210 0.504 19288 4015 1 10 . 1 1 15 15 ILE C C 15 175.178 175.178 174.563 0.615 19288 4016 1 10 . 1 1 15 15 ILE CA C 15 59.647 59.647 61.786 -2.139 19288 4017 1 10 . 1 1 15 15 ILE CB C 15 39.969 39.969 38.745 1.224 19288 4018 1 10 . 1 1 15 15 ILE H H 15 8.479 8.479 8.645 -0.166 19288 4019 1 10 . 1 1 16 16 CYS N N 16 129.411 129.411 113.252 16.159 19288 4020 1 10 . 1 1 16 16 CYS HA H 16 4.334 4.334 4.735 -0.401 19288 4021 1 10 . 1 1 16 16 CYS C C 16 174.675 174.675 174.449 0.226 19288 4022 1 10 . 1 1 16 16 CYS CA C 16 61.303 61.303 57.856 3.447 19288 4023 1 10 . 1 1 16 16 CYS CB C 16 30.233 30.233 30.742 -0.509 19288 4024 1 10 . 1 1 16 16 CYS H H 16 9.141 9.141 7.522 1.619 19288 4025 1 10 . 1 1 17 17 GLU N N 17 133.830 133.830 122.676 11.154 19288 4026 1 10 . 1 1 17 17 GLU HA H 17 4.200 4.200 3.443 0.757 19288 4027 1 10 . 1 1 17 17 GLU C C 17 175.826 175.826 178.015 -2.189 19288 4028 1 10 . 1 1 17 17 GLU CA C 17 58.616 58.616 58.138 0.478 19288 4029 1 10 . 1 1 17 17 GLU CB C 17 28.133 28.133 29.158 -1.025 19288 4030 1 10 . 1 1 17 17 GLU H H 17 10.744 10.744 8.593 2.151 19288 4031 1 10 . 1 1 18 18 TYR N N 18 121.850 121.850 122.037 -0.187 19288 4032 1 10 . 1 1 18 18 TYR HA H 18 4.316 4.316 4.341 -0.025 19288 4033 1 10 . 1 1 18 18 TYR C C 18 176.782 176.782 177.623 -0.841 19288 4034 1 10 . 1 1 18 18 TYR CA C 18 60.371 60.371 62.100 -1.729 19288 4035 1 10 . 1 1 18 18 TYR CB C 18 37.374 37.374 38.364 -0.990 19288 4036 1 10 . 1 1 18 18 TYR H H 18 9.190 9.190 8.484 0.706 19288 4037 1 10 . 1 1 19 19 CYS N N 19 116.138 116.138 117.719 -1.581 19288 4038 1 10 . 1 1 19 19 CYS HA H 19 5.111 5.111 4.233 0.878 19288 4039 1 10 . 1 1 19 19 CYS C C 19 176.019 176.019 177.065 -1.046 19288 4040 1 10 . 1 1 19 19 CYS CA C 19 58.721 58.721 61.862 -3.141 19288 4041 1 10 . 1 1 19 19 CYS CB C 19 32.573 32.573 27.185 5.388 19288 4042 1 10 . 1 1 19 19 CYS H H 19 7.999 7.999 8.430 -0.431 19288 4043 1 10 . 1 1 20 20 ALA N N 20 122.058 122.058 122.734 -0.676 19288 4044 1 10 . 1 1 20 20 ALA HA H 20 4.140 4.140 3.015 1.125 19288 4045 1 10 . 1 1 20 20 ALA C C 20 177.014 177.014 178.191 -1.177 19288 4046 1 10 . 1 1 20 20 ALA CA C 20 54.584 54.584 54.908 -0.324 19288 4047 1 10 . 1 1 20 20 ALA CB C 20 17.127 17.127 18.175 -1.048 19288 4048 1 10 . 1 1 20 20 ALA H H 20 8.067 8.067 7.033 1.034 19288 4049 1 10 . 1 1 21 21 ARG N N 21 121.286 121.286 118.641 2.645 19288 4050 1 10 . 1 1 21 21 ARG HA H 21 4.003 4.003 3.869 0.134 19288 4051 1 10 . 1 1 21 21 ARG C C 21 175.133 175.133 178.514 -3.381 19288 4052 1 10 . 1 1 21 21 ARG CA C 21 58.236 58.236 59.042 -0.806 19288 4053 1 10 . 1 1 21 21 ARG CB C 21 31.677 31.677 29.368 2.309 19288 4054 1 10 . 1 1 21 21 ARG H H 21 7.947 7.947 7.967 -0.020 19288 4055 1 10 . 1 1 22 22 ALA N N 22 123.966 123.966 120.495 3.471 19288 4056 1 10 . 1 1 22 22 ALA HA H 22 5.008 5.008 3.639 1.369 19288 4057 1 10 . 1 1 22 22 ALA C C 22 175.750 175.750 179.154 -3.404 19288 4058 1 10 . 1 1 22 22 ALA CA C 22 50.811 50.811 56.493 -5.682 19288 4059 1 10 . 1 1 22 22 ALA CB C 22 21.928 21.928 18.749 3.179 19288 4060 1 10 . 1 1 22 22 ALA H H 22 7.968 7.968 7.594 0.374 19288 4061 1 10 . 1 1 23 23 PHE N N 23 118.728 118.728 120.029 -1.301 19288 4062 1 10 . 1 1 23 23 PHE HA H 23 4.678 4.678 4.234 0.444 19288 4063 1 10 . 1 1 23 23 PHE C C 23 173.852 173.852 177.891 -4.039 19288 4064 1 10 . 1 1 23 23 PHE CA C 23 57.367 57.367 61.547 -4.179 19288 4065 1 10 . 1 1 23 23 PHE CB C 23 43.458 43.458 39.289 4.169 19288 4066 1 10 . 1 1 23 23 PHE H H 23 9.004 9.004 7.838 1.167 19288 4067 1 10 . 1 1 24 24 LYS N N 24 119.176 119.176 115.515 3.661 19288 4068 1 10 . 1 1 24 24 LYS HA H 24 4.709 4.709 4.305 0.404 19288 4069 1 10 . 1 1 24 24 LYS C C 24 176.934 176.934 177.312 -0.378 19288 4070 1 10 . 1 1 24 24 LYS CA C 24 56.482 56.482 57.823 -1.341 19288 4071 1 10 . 1 1 24 24 LYS CB C 24 33.111 33.111 31.915 1.196 19288 4072 1 10 . 1 1 24 24 LYS H H 24 9.211 9.211 8.256 0.955 19288 4073 1 10 . 1 1 25 25 SER N N 25 110.950 110.950 115.385 -4.435 19288 4074 1 10 . 1 1 25 25 SER HA H 25 4.566 4.566 4.332 0.234 19288 4075 1 10 . 1 1 25 25 SER C C 25 175.671 175.671 175.639 0.032 19288 4076 1 10 . 1 1 25 25 SER CA C 25 55.683 55.683 60.746 -5.064 19288 4077 1 10 . 1 1 25 25 SER CB C 25 66.490 66.490 64.769 1.722 19288 4078 1 10 . 1 1 25 25 SER H H 25 7.474 7.474 7.295 0.179 19288 4079 1 10 . 1 1 26 26 SER N N 26 119.411 119.411 113.018 6.393 19288 4080 1 10 . 1 1 26 26 SER C C 26 176.269 176.269 177.035 -0.766 19288 4081 1 10 . 1 1 26 26 SER CA C 26 60.616 60.616 59.908 0.708 19288 4082 1 10 . 1 1 26 26 SER CB C 26 61.758 61.758 60.778 0.980 19288 4083 1 10 . 1 1 26 26 SER H H 26 8.487 8.487 7.830 0.657 19288 4084 1 10 . 1 1 27 27 HIS HA H 27 4.258 4.258 4.277 -0.019 19288 4085 1 10 . 1 1 27 27 HIS C C 27 173.658 173.658 177.063 -3.405 19288 4086 1 10 . 1 1 27 27 HIS CA C 27 59.581 59.581 59.025 0.556 19288 4087 1 10 . 1 1 27 27 HIS CB C 27 29.913 29.913 29.622 0.291 19288 4088 1 10 . 1 1 28 28 ASN N N 28 117.126 117.126 115.539 1.587 19288 4089 1 10 . 1 1 28 28 ASN HA H 28 4.216 4.216 4.674 -0.458 19288 4090 1 10 . 1 1 28 28 ASN CA C 28 55.547 55.547 54.118 1.429 19288 4091 1 10 . 1 1 28 28 ASN CB C 28 37.634 37.634 39.307 -1.673 19288 4092 1 10 . 1 1 28 28 ASN H H 28 7.681 7.681 7.776 -0.095 19288 4093 1 10 . 1 1 29 29 LEU N N 29 121.121 121.121 124.624 -3.503 19288 4094 1 10 . 1 1 29 29 LEU HA H 29 3.177 3.177 3.932 -0.755 19288 4095 1 10 . 1 1 29 29 LEU C C 29 176.205 176.205 176.803 -0.598 19288 4096 1 10 . 1 1 29 29 LEU CA C 29 57.893 57.893 55.491 2.402 19288 4097 1 10 . 1 1 29 29 LEU H H 29 7.300 7.300 7.785 -0.485 19288 4098 1 10 . 1 1 30 30 ALA N N 30 122.058 122.058 123.033 -0.975 19288 4099 1 10 . 1 1 30 30 ALA HA H 30 3.917 3.917 4.328 -0.411 19288 4100 1 10 . 1 1 30 30 ALA C C 30 178.363 178.363 176.796 1.567 19288 4101 1 10 . 1 1 30 30 ALA CA C 30 55.487 55.487 51.606 3.881 19288 4102 1 10 . 1 1 30 30 ALA CB C 30 17.947 17.947 18.319 -0.372 19288 4103 1 10 . 1 1 30 30 ALA H H 30 7.987 7.987 7.881 0.106 19288 4104 1 10 . 1 1 31 31 VAL N N 31 116.442 116.442 119.520 -3.078 19288 4105 1 10 . 1 1 31 31 VAL HA H 31 3.556 3.556 4.365 -0.809 19288 4106 1 10 . 1 1 31 31 VAL C C 31 176.352 176.352 174.309 2.043 19288 4107 1 10 . 1 1 31 31 VAL CA C 31 65.936 65.936 59.465 6.471 19288 4108 1 10 . 1 1 31 31 VAL CB C 31 32.281 32.281 33.093 -0.812 19288 4109 1 10 . 1 1 31 31 VAL H H 31 7.636 7.636 7.342 0.294 19288 4110 1 10 . 1 1 32 32 HIS HA H 32 4.125 4.125 4.436 -0.311 19288 4111 1 10 . 1 1 32 32 HIS C C 32 180.696 180.696 174.865 5.831 19288 4112 1 10 . 1 1 32 32 HIS CA C 32 59.377 59.377 57.128 2.249 19288 4113 1 10 . 1 1 32 32 HIS CB C 32 28.332 28.332 30.319 -1.987 19288 4114 1 10 . 1 1 33 33 ARG N N 33 115.795 115.795 120.152 -4.357 19288 4115 1 10 . 1 1 33 33 ARG HA H 33 3.658 3.658 4.633 -0.975 19288 4116 1 10 . 1 1 33 33 ARG C C 33 178.735 178.735 174.825 3.910 19288 4117 1 10 . 1 1 33 33 ARG CA C 33 60.012 60.012 55.897 4.115 19288 4118 1 10 . 1 1 33 33 ARG CB C 33 31.144 31.144 32.171 -1.027 19288 4119 1 10 . 1 1 33 33 ARG H H 33 8.633 8.633 7.801 0.832 19288 4120 1 10 . 1 1 34 34 MET N N 34 115.672 115.672 122.047 -6.375 19288 4121 1 10 . 1 1 34 34 MET HA H 34 4.211 4.211 5.166 -0.955 19288 4122 1 10 . 1 1 34 34 MET C C 34 176.427 176.427 175.238 1.189 19288 4123 1 10 . 1 1 34 34 MET CA C 34 57.866 57.866 53.973 3.893 19288 4124 1 10 . 1 1 34 34 MET CB C 34 32.221 32.221 35.633 -3.412 19288 4125 1 10 . 1 1 34 34 MET H H 34 7.057 7.057 8.372 -1.315 19288 4126 1 10 . 1 1 35 35 ILE N N 35 116.381 116.381 128.152 -11.771 19288 4127 1 10 . 1 1 35 35 ILE HA H 35 3.904 3.904 4.321 -0.417 19288 4128 1 10 . 1 1 35 35 ILE C C 35 177.504 177.504 175.678 1.826 19288 4129 1 10 . 1 1 35 35 ILE CA C 35 63.402 63.402 60.736 2.666 19288 4130 1 10 . 1 1 35 35 ILE CB C 35 37.724 37.724 37.052 0.672 19288 4131 1 10 . 1 1 35 35 ILE H H 35 7.811 7.811 8.827 -1.016 19288 4132 1 10 . 1 1 36 36 HIS N N 36 117.423 117.423 128.451 -11.028 19288 4133 1 10 . 1 1 36 36 HIS HA H 36 4.481 4.481 4.592 -0.111 19288 4134 1 10 . 1 1 36 36 HIS C C 36 178.413 178.413 173.620 4.793 19288 4135 1 10 . 1 1 36 36 HIS CA C 36 55.260 55.260 56.081 -0.821 19288 4136 1 10 . 1 1 36 36 HIS CB C 36 28.066 28.066 28.237 -0.171 19288 4137 1 10 . 1 1 36 36 HIS H H 36 7.247 7.247 8.714 -1.467 19288 4138 1 10 . 1 1 37 37 THR N N 37 110.804 110.804 116.682 -5.878 19288 4139 1 10 . 1 1 37 37 THR HA H 37 4.160 4.160 4.503 -0.343 19288 4140 1 10 . 1 1 37 37 THR C C 37 177.179 177.179 173.766 3.413 19288 4141 1 10 . 1 1 37 37 THR CA C 37 62.791 62.791 63.358 -0.567 19288 4142 1 10 . 1 1 37 37 THR CB C 37 69.712 69.712 71.656 -1.944 19288 4143 1 10 . 1 1 37 37 THR H H 37 7.553 7.553 7.927 -0.374 19288 4144 1 10 . 1 1 38 38 GLY N N 38 110.842 110.842 106.730 4.112 19288 4145 1 10 . 1 1 38 38 GLY C C 38 175.821 175.821 173.660 2.161 19288 4146 1 10 . 1 1 38 38 GLY CA C 38 45.403 45.403 42.859 2.544 19288 4147 1 10 . 1 1 38 38 GLY H H 38 8.195 8.195 7.878 0.317 19288 4148 1 10 . 1 1 39 39 GLU N N 39 120.441 120.441 119.566 0.875 19288 4149 1 10 . 1 1 39 39 GLU HA H 39 4.238 4.238 4.856 -0.618 19288 4150 1 10 . 1 1 39 39 GLU C C 39 175.390 175.390 174.244 1.146 19288 4151 1 10 . 1 1 39 39 GLU CA C 39 56.572 56.572 56.160 0.412 19288 4152 1 10 . 1 1 39 39 GLU H H 39 7.953 7.953 8.496 -0.543 19288 4153 1 10 . 1 1 40 40 LYS N N 40 123.624 123.624 126.926 -3.302 19288 4154 1 10 . 1 1 40 40 LYS HA H 40 4.534 4.534 4.596 -0.062 19288 4155 1 10 . 1 1 40 40 LYS C C 40 174.124 174.124 174.167 -0.043 19288 4156 1 10 . 1 1 40 40 LYS CA C 40 54.236 54.236 55.470 -1.234 19288 4157 1 10 . 1 1 40 40 LYS CB C 40 32.769 32.769 35.817 -3.048 19288 4158 1 10 . 1 1 40 40 LYS H H 40 8.321 8.321 9.219 -0.898 19288 4159 1 10 . 1 1 41 41 PRO HA H 41 4.404 4.404 5.537 -1.133 19288 4160 1 10 . 1 1 41 41 PRO C C 41 176.103 176.103 175.915 0.188 19288 4161 1 10 . 1 1 41 41 PRO CA C 41 63.174 63.174 62.208 0.966 19288 4162 1 10 . 1 1 41 41 PRO CB C 41 32.306 32.306 33.389 -1.083 19288 4163 1 10 . 1 1 42 42 LEU N N 42 122.177 122.177 126.715 -4.538 19288 4164 1 10 . 1 1 42 42 LEU HA H 42 4.381 4.381 4.662 -0.281 19288 4165 1 10 . 1 1 42 42 LEU CA C 42 54.626 54.626 52.647 1.979 19288 4166 1 10 . 1 1 42 42 LEU CB C 42 42.719 42.719 44.308 -1.589 19288 4167 1 10 . 1 1 42 42 LEU H H 42 8.293 8.293 8.685 -0.392 19288 4168 1 10 . 1 1 43 43 GLN N N 43 119.188 119.188 119.353 -0.165 19288 4169 1 10 . 1 1 43 43 GLN HA H 43 5.181 5.181 4.381 0.800 19288 4170 1 10 . 1 1 43 43 GLN C C 43 176.325 176.325 175.264 1.061 19288 4171 1 10 . 1 1 43 43 GLN CA C 43 53.898 53.898 55.987 -2.089 19288 4172 1 10 . 1 1 43 43 GLN CB C 43 32.969 32.969 29.630 3.339 19288 4173 1 10 . 1 1 43 43 GLN H H 43 8.180 8.180 8.706 -0.526 19288 4174 1 10 . 1 1 44 44 CYS N N 44 127.346 127.346 119.864 7.482 19288 4175 1 10 . 1 1 44 44 CYS HA H 44 4.453 4.453 4.696 -0.243 19288 4176 1 10 . 1 1 44 44 CYS C C 44 175.677 175.677 175.056 0.621 19288 4177 1 10 . 1 1 44 44 CYS CA C 44 59.437 59.437 58.006 1.431 19288 4178 1 10 . 1 1 44 44 CYS CB C 44 30.721 30.721 29.313 1.408 19288 4179 1 10 . 1 1 44 44 CYS H H 44 9.299 9.299 7.592 1.707 19288 4180 1 10 . 1 1 45 45 GLU N N 45 131.846 131.846 123.484 8.362 19288 4181 1 10 . 1 1 45 45 GLU HA H 45 4.178 4.178 4.036 0.142 19288 4182 1 10 . 1 1 45 45 GLU C C 45 174.655 174.655 177.499 -2.844 19288 4183 1 10 . 1 1 45 45 GLU CA C 45 58.342 58.342 59.675 -1.333 19288 4184 1 10 . 1 1 45 45 GLU CB C 45 29.819 29.819 29.022 0.797 19288 4185 1 10 . 1 1 45 45 GLU H H 45 9.602 9.602 9.026 0.576 19288 4186 1 10 . 1 1 46 46 ILE N N 46 121.898 121.898 121.487 0.411 19288 4187 1 10 . 1 1 46 46 ILE HA H 46 3.840 3.840 4.095 -0.255 19288 4188 1 10 . 1 1 46 46 ILE C C 46 177.404 177.404 178.693 -1.289 19288 4189 1 10 . 1 1 46 46 ILE CA C 46 63.494 63.494 64.205 -0.711 19288 4190 1 10 . 1 1 46 46 ILE CB C 46 38.461 38.461 36.797 1.664 19288 4191 1 10 . 1 1 46 46 ILE H H 46 8.973 8.973 8.484 0.489 19288 4192 1 10 . 1 1 47 47 CYS N N 47 117.274 117.274 117.476 -0.202 19288 4193 1 10 . 1 1 47 47 CYS HA H 47 5.231 5.231 4.350 0.881 19288 4194 1 10 . 1 1 47 47 CYS C C 47 176.087 176.087 176.354 -0.267 19288 4195 1 10 . 1 1 47 47 CYS CA C 47 58.455 58.455 62.496 -4.041 19288 4196 1 10 . 1 1 47 47 CYS CB C 47 33.590 33.590 27.339 6.251 19288 4197 1 10 . 1 1 47 47 CYS H H 47 8.432 8.432 7.957 0.475 19288 4198 1 10 . 1 1 48 48 GLY N N 48 112.655 112.655 107.462 5.193 19288 4199 1 10 . 1 1 48 48 GLY C C 48 177.177 177.177 176.614 0.563 19288 4200 1 10 . 1 1 48 48 GLY CA C 48 46.253 46.253 47.684 -1.431 19288 4201 1 10 . 1 1 48 48 GLY H H 48 8.016 8.016 7.532 0.484 19288 4202 1 10 . 1 1 49 49 PHE N N 49 125.000 125.000 119.809 5.191 19288 4203 1 10 . 1 1 49 49 PHE HA H 49 4.272 4.272 4.180 0.092 19288 4204 1 10 . 1 1 49 49 PHE C C 49 176.313 176.313 178.159 -1.846 19288 4205 1 10 . 1 1 49 49 PHE CA C 49 59.750 59.750 60.954 -1.204 19288 4206 1 10 . 1 1 49 49 PHE CB C 49 41.278 41.278 38.651 2.627 19288 4207 1 10 . 1 1 49 49 PHE H H 49 8.333 8.333 8.437 -0.104 19288 4208 1 10 . 1 1 50 50 THR N N 50 118.297 118.297 110.955 7.342 19288 4209 1 10 . 1 1 50 50 THR HA H 50 5.150 5.150 4.244 0.906 19288 4210 1 10 . 1 1 50 50 THR C C 50 173.480 173.480 175.613 -2.133 19288 4211 1 10 . 1 1 50 50 THR CA C 50 59.186 59.186 64.119 -4.933 19288 4212 1 10 . 1 1 50 50 THR CB C 50 71.954 71.954 69.089 2.865 19288 4213 1 10 . 1 1 50 50 THR H H 50 7.336 7.336 7.938 -0.602 19288 4214 1 10 . 1 1 51 51 CYS N N 51 115.101 115.101 119.087 -3.986 19288 4215 1 10 . 1 1 51 51 CYS HA H 51 4.540 4.540 4.220 0.320 19288 4216 1 10 . 1 1 51 51 CYS C C 51 173.381 173.381 177.186 -3.805 19288 4217 1 10 . 1 1 51 51 CYS CA C 51 56.305 56.305 61.687 -5.381 19288 4218 1 10 . 1 1 51 51 CYS CB C 51 30.578 30.578 28.391 2.187 19288 4219 1 10 . 1 1 51 51 CYS H H 51 8.318 8.318 7.513 0.805 19288 4220 1 10 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.073 0.493 19288 4221 1 10 . 1 1 52 52 ARG C C 52 172.494 172.494 177.679 -5.185 19288 4222 1 10 . 1 1 52 52 ARG CA C 52 56.923 56.923 59.831 -2.908 19288 4223 1 10 . 1 1 52 52 ARG CB C 52 31.891 31.891 30.015 1.876 19288 4224 1 10 . 1 1 53 53 GLN N N 53 115.534 115.534 118.188 -2.654 19288 4225 1 10 . 1 1 53 53 GLN HA H 53 4.719 4.719 4.048 0.671 19288 4226 1 10 . 1 1 53 53 GLN CA C 53 54.637 54.637 58.567 -3.930 19288 4227 1 10 . 1 1 53 53 GLN CB C 53 30.904 30.904 28.087 2.817 19288 4228 1 10 . 1 1 53 53 GLN H H 53 7.649 7.649 8.261 -0.612 19288 4229 1 10 . 1 1 54 54 LYS N N 54 127.065 127.065 118.115 8.950 19288 4230 1 10 . 1 1 54 54 LYS HA H 54 3.771 3.771 4.004 -0.233 19288 4231 1 10 . 1 1 54 54 LYS C C 54 176.035 176.035 178.636 -2.601 19288 4232 1 10 . 1 1 54 54 LYS CA C 54 59.833 59.833 57.926 1.907 19288 4233 1 10 . 1 1 54 54 LYS CB C 54 32.087 32.087 31.696 0.391 19288 4234 1 10 . 1 1 54 54 LYS H H 54 9.132 9.132 7.466 1.666 19288 4235 1 10 . 1 1 55 55 ALA N N 55 120.230 120.230 120.589 -0.359 19288 4236 1 10 . 1 1 55 55 ALA HA H 55 4.135 4.135 4.855 -0.720 19288 4237 1 10 . 1 1 55 55 ALA C C 55 176.728 176.728 177.794 -1.066 19288 4238 1 10 . 1 1 55 55 ALA CA C 55 55.456 55.456 51.945 3.511 19288 4239 1 10 . 1 1 55 55 ALA CB C 55 18.224 18.224 17.966 0.258 19288 4240 1 10 . 1 1 55 55 ALA H H 55 9.016 9.016 7.184 1.833 19288 4241 1 10 . 1 1 56 56 SER N N 56 112.225 112.225 116.190 -3.965 19288 4242 1 10 . 1 1 56 56 SER HA H 56 4.509 4.509 4.060 0.449 19288 4243 1 10 . 1 1 56 56 SER C C 56 178.309 178.309 176.255 2.054 19288 4244 1 10 . 1 1 56 56 SER CA C 56 61.172 61.172 61.828 -0.656 19288 4245 1 10 . 1 1 56 56 SER CB C 56 62.925 62.925 63.391 -0.466 19288 4246 1 10 . 1 1 56 56 SER H H 56 7.097 7.097 7.467 -0.370 19288 4247 1 10 . 1 1 57 57 LEU N N 57 126.317 126.317 119.281 7.036 19288 4248 1 10 . 1 1 57 57 LEU HA H 57 4.327 4.327 4.248 0.079 19288 4249 1 10 . 1 1 57 57 LEU C C 57 180.642 180.642 178.390 2.252 19288 4250 1 10 . 1 1 57 57 LEU CA C 57 58.038 58.038 57.239 0.799 19288 4251 1 10 . 1 1 57 57 LEU CB C 57 41.443 41.443 41.902 -0.459 19288 4252 1 10 . 1 1 57 57 LEU H H 57 7.667 7.667 8.082 -0.415 19288 4253 1 10 . 1 1 58 58 ASN N N 58 118.325 118.325 115.317 3.008 19288 4254 1 10 . 1 1 58 58 ASN HA H 58 4.364 4.364 4.818 -0.454 19288 4255 1 10 . 1 1 58 58 ASN C C 58 176.770 176.770 175.512 1.258 19288 4256 1 10 . 1 1 58 58 ASN CA C 58 56.457 56.457 52.578 3.880 19288 4257 1 10 . 1 1 58 58 ASN CB C 58 37.852 37.852 37.258 0.594 19288 4258 1 10 . 1 1 58 58 ASN H H 58 8.533 8.533 8.606 -0.073 19288 4259 1 10 . 1 1 59 59 TRP N N 59 119.802 119.802 121.552 -1.750 19288 4260 1 10 . 1 1 59 59 TRP HA H 59 4.349 4.349 4.672 -0.323 19288 4261 1 10 . 1 1 59 59 TRP C C 59 178.160 178.160 177.391 0.769 19288 4262 1 10 . 1 1 59 59 TRP CA C 59 60.432 60.432 59.118 1.314 19288 4263 1 10 . 1 1 59 59 TRP CB C 59 29.304 29.304 29.549 -0.245 19288 4264 1 10 . 1 1 59 59 TRP H H 59 7.914 7.914 7.554 0.360 19288 4265 1 10 . 1 1 60 60 HIS N N 60 119.175 119.175 121.439 -2.264 19288 4266 1 10 . 1 1 60 60 HIS HA H 60 3.675 3.675 4.332 -0.657 19288 4267 1 10 . 1 1 60 60 HIS C C 60 174.721 174.721 175.663 -0.942 19288 4268 1 10 . 1 1 60 60 HIS CA C 60 60.038 60.038 57.502 2.535 19288 4269 1 10 . 1 1 60 60 HIS CB C 60 28.143 28.143 29.852 -1.708 19288 4270 1 10 . 1 1 60 60 HIS H H 60 8.131 8.131 8.663 -0.532 19288 4271 1 10 . 1 1 61 61 MET N N 61 114.602 114.602 119.219 -4.617 19288 4272 1 10 . 1 1 61 61 MET HA H 61 4.127 4.127 4.023 0.104 19288 4273 1 10 . 1 1 61 61 MET C C 61 178.337 178.337 177.108 1.229 19288 4274 1 10 . 1 1 61 61 MET CA C 61 57.177 57.177 57.457 -0.280 19288 4275 1 10 . 1 1 61 61 MET CB C 61 30.085 30.085 32.985 -2.900 19288 4276 1 10 . 1 1 61 61 MET H H 61 8.448 8.448 7.645 0.803 19288 4277 1 10 . 1 1 62 62 LYS N N 62 118.858 118.858 118.262 0.596 19288 4278 1 10 . 1 1 62 62 LYS HA H 62 3.998 3.998 3.692 0.306 19288 4279 1 10 . 1 1 62 62 LYS C C 62 176.716 176.716 176.792 -0.076 19288 4280 1 10 . 1 1 62 62 LYS CA C 62 58.512 58.512 58.998 -0.486 19288 4281 1 10 . 1 1 62 62 LYS CB C 62 31.694 31.694 32.881 -1.187 19288 4282 1 10 . 1 1 62 62 LYS H H 62 7.285 7.285 7.517 -0.232 19288 4283 1 10 . 1 1 63 63 LYS N N 63 117.683 117.683 116.708 0.975 19288 4284 1 10 . 1 1 63 63 LYS HA H 63 3.793 3.793 4.235 -0.442 19288 4285 1 10 . 1 1 63 63 LYS C C 63 179.150 179.150 175.240 3.910 19288 4286 1 10 . 1 1 63 63 LYS CA C 63 57.827 57.827 55.306 2.521 19288 4287 1 10 . 1 1 63 63 LYS CB C 63 31.272 31.272 34.362 -3.091 19288 4288 1 10 . 1 1 63 63 LYS H H 63 7.516 7.516 7.793 -0.277 19288 4289 1 10 . 1 1 64 64 HIS N N 64 115.200 115.200 121.017 -5.817 19288 4290 1 10 . 1 1 64 64 HIS HA H 64 4.708 4.708 4.527 0.181 19288 4291 1 10 . 1 1 64 64 HIS C C 64 178.727 178.727 172.840 5.887 19288 4292 1 10 . 1 1 64 64 HIS CA C 64 55.628 55.628 55.087 0.541 19288 4293 1 10 . 1 1 64 64 HIS CB C 64 28.782 28.782 31.999 -3.217 19288 4294 1 10 . 1 1 64 64 HIS H H 64 7.155 7.155 8.209 -1.054 19288 4295 1 10 . 1 1 65 65 ASP N N 65 120.441 120.441 122.540 -2.099 19288 4296 1 10 . 1 1 65 65 ASP HA H 65 4.503 4.503 4.939 -0.436 19288 4297 1 10 . 1 1 65 65 ASP C C 65 177.648 177.648 176.594 1.054 19288 4298 1 10 . 1 1 65 65 ASP CA C 65 55.296 55.296 52.569 2.727 19288 4299 1 10 . 1 1 65 65 ASP CB C 65 41.122 41.122 42.448 -1.326 19288 4300 1 10 . 1 1 65 65 ASP H H 65 7.653 7.653 8.603 -0.950 19288 4301 1 10 . 1 1 66 66 ALA N N 66 123.184 123.184 130.460 -7.276 19288 4302 1 10 . 1 1 66 66 ALA HA H 66 4.141 4.141 4.104 0.037 19288 4303 1 10 . 1 1 66 66 ALA C C 66 175.172 175.172 178.526 -3.354 19288 4304 1 10 . 1 1 66 66 ALA CA C 66 53.693 53.693 54.287 -0.594 19288 4305 1 10 . 1 1 66 66 ALA CB C 66 19.049 19.049 18.547 0.502 19288 4306 1 10 . 1 1 66 66 ALA H H 66 8.088 8.088 8.735 -0.647 19288 4307 1 10 . 1 1 67 67 ASP N N 67 117.608 117.608 119.913 -2.305 19288 4308 1 10 . 1 1 67 67 ASP HA H 67 4.175 4.175 4.508 -0.333 19288 4309 1 10 . 1 1 67 67 ASP C C 67 176.687 176.687 176.425 0.262 19288 4310 1 10 . 1 1 67 67 ASP CA C 67 54.842 54.842 55.078 -0.236 19288 4311 1 10 . 1 1 67 67 ASP CB C 67 40.957 40.957 41.411 -0.454 19288 4312 1 10 . 1 1 67 67 ASP H H 67 7.999 7.999 8.218 -0.219 19288 4313 1 10 . 1 1 68 68 SER N N 68 114.794 114.794 113.336 1.458 19288 4314 1 10 . 1 1 68 68 SER HA H 68 4.145 4.145 4.812 -0.667 19288 4315 1 10 . 1 1 68 68 SER C C 68 178.056 178.056 174.797 3.259 19288 4316 1 10 . 1 1 68 68 SER CA C 68 59.397 59.397 56.167 3.230 19288 4317 1 10 . 1 1 68 68 SER CB C 68 63.682 63.682 63.873 -0.191 19288 4318 1 10 . 1 1 68 68 SER H H 68 7.797 7.797 7.865 -0.068 19288 4319 1 10 . 1 1 69 69 PHE N N 69 120.277 120.277 122.204 -1.927 19288 4320 1 10 . 1 1 69 69 PHE HA H 69 4.474 4.474 4.509 -0.035 19288 4321 1 10 . 1 1 69 69 PHE C C 69 176.959 176.959 174.386 2.573 19288 4322 1 10 . 1 1 69 69 PHE CA C 69 58.048 58.048 57.987 0.061 19288 4323 1 10 . 1 1 69 69 PHE H H 69 7.850 7.850 8.516 -0.666 19288 4324 1 10 . 1 1 70 70 TYR N N 70 121.023 121.023 120.594 0.429 19288 4325 1 10 . 1 1 70 70 TYR HA H 70 4.494 4.494 4.132 0.362 19288 4326 1 10 . 1 1 70 70 TYR C C 70 174.330 174.330 174.734 -0.404 19288 4327 1 10 . 1 1 70 70 TYR CA C 70 56.491 56.491 57.517 -1.026 19288 4328 1 10 . 1 1 70 70 TYR CB C 70 37.727 37.727 39.002 -1.275 19288 4329 1 10 . 1 1 70 70 TYR H H 70 7.818 7.818 7.994 -0.176 19288 4330 1 10 . 1 1 71 71 GLN N N 71 119.046 119.046 119.375 -0.329 19288 4331 1 10 . 1 1 71 71 GLN HA H 71 4.085 4.085 3.814 0.271 19288 4332 1 10 . 1 1 71 71 GLN C C 71 175.830 175.830 173.887 1.943 19288 4333 1 10 . 1 1 71 71 GLN CA C 71 56.485 56.485 56.115 0.370 19288 4334 1 10 . 1 1 71 71 GLN CB C 71 30.291 30.291 26.588 3.703 19288 4335 1 10 . 1 1 71 71 GLN H H 71 8.352 8.352 7.985 0.367 19288 4336 1 10 . 1 1 72 72 PHE N N 72 117.779 117.779 119.883 -2.104 19288 4337 1 10 . 1 1 72 72 PHE HA H 72 4.850 4.850 4.377 0.473 19288 4338 1 10 . 1 1 72 72 PHE C C 72 176.323 176.323 175.326 0.997 19288 4339 1 10 . 1 1 72 72 PHE CA C 72 57.157 57.157 55.715 1.442 19288 4340 1 10 . 1 1 72 72 PHE CB C 72 41.106 41.106 41.005 0.101 19288 4341 1 10 . 1 1 72 72 PHE H H 72 7.901 7.901 7.566 0.335 19288 4342 1 10 . 1 1 73 73 SER N N 73 114.707 114.707 117.297 -2.590 19288 4343 1 10 . 1 1 73 73 SER HA H 73 5.469 5.469 4.043 1.426 19288 4344 1 10 . 1 1 73 73 SER C C 73 175.151 175.151 174.381 0.770 19288 4345 1 10 . 1 1 73 73 SER CA C 73 57.026 57.026 59.778 -2.752 19288 4346 1 10 . 1 1 73 73 SER CB C 73 65.963 65.963 63.504 2.459 19288 4347 1 10 . 1 1 73 73 SER H H 73 8.744 8.744 8.598 0.146 19288 4348 1 10 . 1 1 74 74 CYS N N 74 124.143 124.143 117.789 6.354 19288 4349 1 10 . 1 1 74 74 CYS HA H 74 4.391 4.391 4.621 -0.230 19288 4350 1 10 . 1 1 74 74 CYS C C 74 174.848 174.848 175.324 -0.476 19288 4351 1 10 . 1 1 74 74 CYS CA C 74 59.743 59.743 58.119 1.624 19288 4352 1 10 . 1 1 74 74 CYS CB C 74 30.581 30.581 28.602 1.979 19288 4353 1 10 . 1 1 74 74 CYS H H 74 9.154 9.154 7.725 1.429 19288 4354 1 10 . 1 1 75 75 ASN HA H 75 4.501 4.501 4.539 -0.038 19288 4355 1 10 . 1 1 75 75 ASN C C 75 173.664 173.664 176.796 -3.132 19288 4356 1 10 . 1 1 75 75 ASN CA C 75 55.316 55.316 56.252 -0.936 19288 4357 1 10 . 1 1 75 75 ASN CB C 75 36.774 36.774 38.170 -1.397 19288 4358 1 10 . 1 1 76 76 ILE N N 76 123.143 123.143 119.487 3.656 19288 4359 1 10 . 1 1 76 76 ILE HA H 76 3.908 3.908 3.965 -0.057 19288 4360 1 10 . 1 1 76 76 ILE CA C 76 63.223 63.223 64.573 -1.349 19288 4361 1 10 . 1 1 76 76 ILE CB C 76 38.269 38.269 37.495 0.774 19288 4362 1 10 . 1 1 76 76 ILE H H 76 8.921 8.921 8.471 0.450 19288 4363 1 10 . 1 1 77 77 CYS N N 77 116.298 116.298 119.466 -3.168 19288 4364 1 10 . 1 1 77 77 CYS HA H 77 5.159 5.159 3.969 1.190 19288 4365 1 10 . 1 1 77 77 CYS C C 77 174.401 174.401 176.448 -2.047 19288 4366 1 10 . 1 1 77 77 CYS CA C 77 58.394 58.394 61.218 -2.824 19288 4367 1 10 . 1 1 77 77 CYS CB C 77 32.743 32.743 27.329 5.414 19288 4368 1 10 . 1 1 77 77 CYS H H 77 8.243 8.243 7.424 0.819 19288 4369 1 10 . 1 1 78 78 GLY N N 78 113.607 113.607 111.837 1.770 19288 4370 1 10 . 1 1 78 78 GLY C C 78 176.862 176.862 175.753 1.109 19288 4371 1 10 . 1 1 78 78 GLY CA C 78 46.321 46.321 48.033 -1.712 19288 4372 1 10 . 1 1 78 78 GLY H H 78 8.060 8.060 7.276 0.784 19288 4373 1 10 . 1 1 79 79 LYS N N 79 123.134 123.134 120.946 2.188 19288 4374 1 10 . 1 1 79 79 LYS HA H 79 3.950 3.950 3.813 0.137 19288 4375 1 10 . 1 1 79 79 LYS C C 79 176.484 176.484 177.993 -1.509 19288 4376 1 10 . 1 1 79 79 LYS CA C 79 58.342 58.342 61.053 -2.711 19288 4377 1 10 . 1 1 79 79 LYS CB C 79 33.770 33.770 31.651 2.119 19288 4378 1 10 . 1 1 79 79 LYS H H 79 7.977 7.977 7.928 0.049 19288 4379 1 10 . 1 1 80 80 LYS N N 80 121.440 121.440 119.136 2.304 19288 4380 1 10 . 1 1 80 80 LYS HA H 80 4.884 4.884 4.000 0.884 19288 4381 1 10 . 1 1 80 80 LYS C C 80 173.961 173.961 178.323 -4.362 19288 4382 1 10 . 1 1 80 80 LYS CA C 80 55.524 55.524 59.247 -3.723 19288 4383 1 10 . 1 1 80 80 LYS CB C 80 35.024 35.024 31.474 3.550 19288 4384 1 10 . 1 1 80 80 LYS H H 80 7.918 7.918 7.572 0.346 19288 4385 1 10 . 1 1 81 81 PHE N N 81 116.724 116.724 119.912 -3.188 19288 4386 1 10 . 1 1 81 81 PHE HA H 81 4.598 4.598 4.284 0.314 19288 4387 1 10 . 1 1 81 81 PHE C C 81 174.541 174.541 177.904 -3.363 19288 4388 1 10 . 1 1 81 81 PHE CA C 81 57.359 57.359 61.978 -4.619 19288 4389 1 10 . 1 1 81 81 PHE CB C 81 44.738 44.738 39.368 5.370 19288 4390 1 10 . 1 1 81 81 PHE H H 81 8.725 8.725 7.846 0.879 19288 4391 1 10 . 1 1 82 82 GLU N N 82 120.474 120.474 119.838 0.636 19288 4392 1 10 . 1 1 82 82 GLU HA H 82 4.155 4.155 4.326 -0.171 19288 4393 1 10 . 1 1 82 82 GLU C C 82 175.832 175.832 178.922 -3.090 19288 4394 1 10 . 1 1 82 82 GLU CA C 82 57.900 57.900 59.632 -1.732 19288 4395 1 10 . 1 1 82 82 GLU CB C 82 30.829 30.829 29.810 1.019 19288 4396 1 10 . 1 1 82 82 GLU H H 82 8.775 8.775 8.282 0.493 19288 4397 1 10 . 1 1 83 83 LYS N N 83 114.607 114.607 117.534 -2.927 19288 4398 1 10 . 1 1 83 83 LYS HA H 83 4.607 4.607 4.115 0.492 19288 4399 1 10 . 1 1 83 83 LYS C C 83 174.585 174.585 177.382 -2.797 19288 4400 1 10 . 1 1 83 83 LYS CA C 83 54.369 54.369 59.071 -4.702 19288 4401 1 10 . 1 1 83 83 LYS CB C 83 35.540 35.540 32.003 3.537 19288 4402 1 10 . 1 1 83 83 LYS H H 83 7.547 7.547 8.121 -0.574 19288 4403 1 10 . 1 1 84 84 LYS N N 84 124.921 124.921 116.969 7.952 19288 4404 1 10 . 1 1 84 84 LYS HA H 84 3.073 3.073 4.279 -1.206 19288 4405 1 10 . 1 1 84 84 LYS C C 84 176.545 176.545 178.278 -1.733 19288 4406 1 10 . 1 1 84 84 LYS CA C 84 59.680 59.680 57.897 1.783 19288 4407 1 10 . 1 1 84 84 LYS CB C 84 31.920 31.920 33.282 -1.362 19288 4408 1 10 . 1 1 84 84 LYS H H 84 8.162 8.162 7.424 0.738 19288 4409 1 10 . 1 1 85 85 ASP N N 85 116.468 116.468 117.824 -1.356 19288 4410 1 10 . 1 1 85 85 ASP HA H 85 4.192 4.192 4.427 -0.235 19288 4411 1 10 . 1 1 85 85 ASP C C 85 176.385 176.385 175.989 0.396 19288 4412 1 10 . 1 1 85 85 ASP CA C 85 56.789 56.789 55.492 1.297 19288 4413 1 10 . 1 1 85 85 ASP CB C 85 39.780 39.780 41.572 -1.792 19288 4414 1 10 . 1 1 85 85 ASP H H 85 8.682 8.682 7.913 0.769 19288 4415 1 10 . 1 1 86 86 SER N N 86 114.601 114.601 117.650 -3.049 19288 4416 1 10 . 1 1 86 86 SER HA H 86 4.183 4.183 4.842 -0.659 19288 4417 1 10 . 1 1 86 86 SER C C 86 179.169 179.169 172.392 6.777 19288 4418 1 10 . 1 1 86 86 SER CA C 86 60.939 60.939 55.053 5.886 19288 4419 1 10 . 1 1 86 86 SER CB C 86 62.823 62.823 63.997 -1.174 19288 4420 1 10 . 1 1 86 86 SER H H 86 7.200 7.200 7.822 -0.622 19288 4421 1 10 . 1 1 87 87 VAL HA H 87 2.698 2.698 4.125 -1.427 19288 4422 1 10 . 1 1 87 87 VAL C C 87 178.806 178.806 174.894 3.912 19288 4423 1 10 . 1 1 87 87 VAL CA C 87 66.028 66.028 62.413 3.615 19288 4424 1 10 . 1 1 87 87 VAL CB C 87 31.461 31.461 30.590 0.871 19288 4425 1 10 . 1 1 88 88 VAL N N 88 120.424 120.424 123.659 -3.235 19288 4426 1 10 . 1 1 88 88 VAL HA H 88 3.485 3.485 4.436 -0.951 19288 4427 1 10 . 1 1 88 88 VAL C C 88 176.208 176.208 175.365 0.843 19288 4428 1 10 . 1 1 88 88 VAL CA C 88 66.735 66.735 61.643 5.092 19288 4429 1 10 . 1 1 88 88 VAL CB C 88 31.948 31.948 32.631 -0.683 19288 4430 1 10 . 1 1 88 88 VAL H H 88 7.190 7.190 8.023 -0.833 19288 4431 1 11 . 1 1 10 10 HIS HA H 10 4.620 4.620 4.886 -0.266 19288 4432 1 11 . 1 1 10 10 HIS CA C 10 56.302 56.302 55.404 0.898 19288 4433 1 11 . 1 1 10 10 HIS CB C 10 30.312 30.312 32.332 -2.020 19288 4434 1 11 . 1 1 11 11 MET N N 11 121.464 121.464 124.139 -2.675 19288 4435 1 11 . 1 1 11 11 MET HA H 11 4.387 4.387 4.695 -0.308 19288 4436 1 11 . 1 1 11 11 MET CA C 11 55.835 55.835 55.276 0.559 19288 4437 1 11 . 1 1 11 11 MET CB C 11 32.794 32.794 34.202 -1.407 19288 4438 1 11 . 1 1 11 11 MET H H 11 8.178 8.178 8.361 -0.183 19288 4439 1 11 . 1 1 12 12 ARG N N 12 121.614 121.614 122.182 -0.568 19288 4440 1 11 . 1 1 12 12 ARG HA H 12 4.244 4.244 4.239 0.005 19288 4441 1 11 . 1 1 12 12 ARG CA C 12 55.802 55.802 57.330 -1.528 19288 4442 1 11 . 1 1 12 12 ARG CB C 12 31.110 31.110 30.577 0.533 19288 4443 1 11 . 1 1 12 12 ARG H H 12 8.209 8.209 8.520 -0.311 19288 4444 1 11 . 1 1 13 13 ASP N N 13 119.634 119.634 117.964 1.670 19288 4445 1 11 . 1 1 13 13 ASP HA H 13 4.667 4.667 4.568 0.099 19288 4446 1 11 . 1 1 13 13 ASP C C 13 175.723 175.723 173.964 1.759 19288 4447 1 11 . 1 1 13 13 ASP CA C 13 54.112 54.112 53.485 0.627 19288 4448 1 11 . 1 1 13 13 ASP CB C 13 42.459 42.459 42.355 0.104 19288 4449 1 11 . 1 1 13 13 ASP H H 13 7.858 7.858 7.459 0.399 19288 4450 1 11 . 1 1 14 14 TYR N N 14 120.932 120.932 119.046 1.886 19288 4451 1 11 . 1 1 14 14 TYR HA H 14 4.534 4.534 4.709 -0.175 19288 4452 1 11 . 1 1 14 14 TYR C C 14 174.767 174.767 176.167 -1.400 19288 4453 1 11 . 1 1 14 14 TYR CA C 14 57.521 57.521 57.761 -0.240 19288 4454 1 11 . 1 1 14 14 TYR CB C 14 38.608 38.608 42.760 -4.152 19288 4455 1 11 . 1 1 14 14 TYR H H 14 8.676 8.676 8.493 0.183 19288 4456 1 11 . 1 1 15 15 ILE N N 15 124.585 124.585 123.239 1.346 19288 4457 1 11 . 1 1 15 15 ILE HA H 15 4.714 4.714 4.240 0.474 19288 4458 1 11 . 1 1 15 15 ILE C C 15 175.178 175.178 175.721 -0.543 19288 4459 1 11 . 1 1 15 15 ILE CA C 15 59.647 59.647 61.988 -2.341 19288 4460 1 11 . 1 1 15 15 ILE CB C 15 39.969 39.969 38.355 1.614 19288 4461 1 11 . 1 1 15 15 ILE H H 15 8.479 8.479 8.733 -0.254 19288 4462 1 11 . 1 1 16 16 CYS N N 16 129.411 129.411 115.300 14.111 19288 4463 1 11 . 1 1 16 16 CYS HA H 16 4.334 4.334 4.490 -0.156 19288 4464 1 11 . 1 1 16 16 CYS C C 16 174.675 174.675 175.139 -0.464 19288 4465 1 11 . 1 1 16 16 CYS CA C 16 61.303 61.303 57.230 4.073 19288 4466 1 11 . 1 1 16 16 CYS CB C 16 30.233 30.233 29.917 0.316 19288 4467 1 11 . 1 1 16 16 CYS H H 16 9.141 9.141 7.690 1.451 19288 4468 1 11 . 1 1 17 17 GLU N N 17 133.830 133.830 126.923 6.907 19288 4469 1 11 . 1 1 17 17 GLU HA H 17 4.200 4.200 3.471 0.729 19288 4470 1 11 . 1 1 17 17 GLU C C 17 175.826 175.826 178.092 -2.266 19288 4471 1 11 . 1 1 17 17 GLU CA C 17 58.616 58.616 58.923 -0.307 19288 4472 1 11 . 1 1 17 17 GLU CB C 17 28.133 28.133 29.104 -0.971 19288 4473 1 11 . 1 1 17 17 GLU H H 17 10.744 10.744 8.328 2.416 19288 4474 1 11 . 1 1 18 18 TYR N N 18 121.850 121.850 121.804 0.046 19288 4475 1 11 . 1 1 18 18 TYR HA H 18 4.316 4.316 4.269 0.047 19288 4476 1 11 . 1 1 18 18 TYR C C 18 176.782 176.782 177.956 -1.174 19288 4477 1 11 . 1 1 18 18 TYR CA C 18 60.371 60.371 62.130 -1.759 19288 4478 1 11 . 1 1 18 18 TYR CB C 18 37.374 37.374 38.003 -0.629 19288 4479 1 11 . 1 1 18 18 TYR H H 18 9.190 9.190 7.436 1.754 19288 4480 1 11 . 1 1 19 19 CYS N N 19 116.138 116.138 118.955 -2.817 19288 4481 1 11 . 1 1 19 19 CYS HA H 19 5.111 5.111 4.163 0.948 19288 4482 1 11 . 1 1 19 19 CYS C C 19 176.019 176.019 176.701 -0.682 19288 4483 1 11 . 1 1 19 19 CYS CA C 19 58.721 58.721 61.789 -3.068 19288 4484 1 11 . 1 1 19 19 CYS CB C 19 32.573 32.573 27.719 4.854 19288 4485 1 11 . 1 1 19 19 CYS H H 19 7.999 7.999 7.660 0.339 19288 4486 1 11 . 1 1 20 20 ALA N N 20 122.058 122.058 122.219 -0.161 19288 4487 1 11 . 1 1 20 20 ALA HA H 20 4.140 4.140 3.553 0.587 19288 4488 1 11 . 1 1 20 20 ALA C C 20 177.014 177.014 178.181 -1.167 19288 4489 1 11 . 1 1 20 20 ALA CA C 20 54.584 54.584 54.421 0.163 19288 4490 1 11 . 1 1 20 20 ALA CB C 20 17.127 17.127 18.728 -1.601 19288 4491 1 11 . 1 1 20 20 ALA H H 20 8.067 8.067 7.611 0.456 19288 4492 1 11 . 1 1 21 21 ARG N N 21 121.286 121.286 119.662 1.624 19288 4493 1 11 . 1 1 21 21 ARG HA H 21 4.003 4.003 4.023 -0.020 19288 4494 1 11 . 1 1 21 21 ARG C C 21 175.133 175.133 178.477 -3.344 19288 4495 1 11 . 1 1 21 21 ARG CA C 21 58.236 58.236 59.096 -0.860 19288 4496 1 11 . 1 1 21 21 ARG CB C 21 31.677 31.677 29.337 2.340 19288 4497 1 11 . 1 1 21 21 ARG H H 21 7.947 7.947 7.922 0.025 19288 4498 1 11 . 1 1 22 22 ALA N N 22 123.966 123.966 121.243 2.723 19288 4499 1 11 . 1 1 22 22 ALA HA H 22 5.008 5.008 3.703 1.305 19288 4500 1 11 . 1 1 22 22 ALA C C 22 175.750 175.750 179.130 -3.380 19288 4501 1 11 . 1 1 22 22 ALA CA C 22 50.811 50.811 56.581 -5.770 19288 4502 1 11 . 1 1 22 22 ALA CB C 22 21.928 21.928 18.851 3.077 19288 4503 1 11 . 1 1 22 22 ALA H H 22 7.968 7.968 7.638 0.330 19288 4504 1 11 . 1 1 23 23 PHE N N 23 118.728 118.728 119.957 -1.229 19288 4505 1 11 . 1 1 23 23 PHE HA H 23 4.678 4.678 4.173 0.505 19288 4506 1 11 . 1 1 23 23 PHE C C 23 173.852 173.852 177.871 -4.019 19288 4507 1 11 . 1 1 23 23 PHE CA C 23 57.367 57.367 61.883 -4.516 19288 4508 1 11 . 1 1 23 23 PHE CB C 23 43.458 43.458 39.077 4.381 19288 4509 1 11 . 1 1 23 23 PHE H H 23 9.004 9.004 7.800 1.204 19288 4510 1 11 . 1 1 24 24 LYS N N 24 119.176 119.176 116.145 3.031 19288 4511 1 11 . 1 1 24 24 LYS HA H 24 4.709 4.709 4.329 0.380 19288 4512 1 11 . 1 1 24 24 LYS C C 24 176.934 176.934 177.448 -0.514 19288 4513 1 11 . 1 1 24 24 LYS CA C 24 56.482 56.482 57.969 -1.488 19288 4514 1 11 . 1 1 24 24 LYS CB C 24 33.111 33.111 32.246 0.865 19288 4515 1 11 . 1 1 24 24 LYS H H 24 9.211 9.211 8.232 0.979 19288 4516 1 11 . 1 1 25 25 SER N N 25 110.950 110.950 115.951 -5.001 19288 4517 1 11 . 1 1 25 25 SER HA H 25 4.566 4.566 4.425 0.141 19288 4518 1 11 . 1 1 25 25 SER C C 25 175.671 175.671 175.515 0.156 19288 4519 1 11 . 1 1 25 25 SER CA C 25 55.683 55.683 58.650 -2.967 19288 4520 1 11 . 1 1 25 25 SER CB C 25 66.490 66.490 63.851 2.639 19288 4521 1 11 . 1 1 25 25 SER H H 25 7.474 7.474 7.307 0.167 19288 4522 1 11 . 1 1 26 26 SER N N 26 119.411 119.411 113.339 6.072 19288 4523 1 11 . 1 1 26 26 SER C C 26 176.269 176.269 175.873 0.396 19288 4524 1 11 . 1 1 26 26 SER CA C 26 60.616 60.616 59.901 0.715 19288 4525 1 11 . 1 1 26 26 SER CB C 26 61.758 61.758 61.014 0.744 19288 4526 1 11 . 1 1 26 26 SER H H 26 8.487 8.487 7.643 0.844 19288 4527 1 11 . 1 1 27 27 HIS HA H 27 4.258 4.258 4.495 -0.237 19288 4528 1 11 . 1 1 27 27 HIS C C 27 173.658 173.658 176.726 -3.068 19288 4529 1 11 . 1 1 27 27 HIS CA C 27 59.581 59.581 57.355 2.225 19288 4530 1 11 . 1 1 27 27 HIS CB C 27 29.913 29.913 29.215 0.698 19288 4531 1 11 . 1 1 28 28 ASN N N 28 117.126 117.126 116.905 0.221 19288 4532 1 11 . 1 1 28 28 ASN HA H 28 4.216 4.216 4.611 -0.395 19288 4533 1 11 . 1 1 28 28 ASN CA C 28 55.547 55.547 53.126 2.421 19288 4534 1 11 . 1 1 28 28 ASN CB C 28 37.634 37.634 36.249 1.385 19288 4535 1 11 . 1 1 28 28 ASN H H 28 7.681 7.681 7.656 0.025 19288 4536 1 11 . 1 1 29 29 LEU N N 29 121.121 121.121 124.129 -3.008 19288 4537 1 11 . 1 1 29 29 LEU HA H 29 3.177 3.177 4.026 -0.849 19288 4538 1 11 . 1 1 29 29 LEU C C 29 176.205 176.205 176.820 -0.615 19288 4539 1 11 . 1 1 29 29 LEU CA C 29 57.893 57.893 54.544 3.349 19288 4540 1 11 . 1 1 29 29 LEU H H 29 7.300 7.300 7.785 -0.485 19288 4541 1 11 . 1 1 30 30 ALA N N 30 122.058 122.058 122.488 -0.430 19288 4542 1 11 . 1 1 30 30 ALA HA H 30 3.917 3.917 4.206 -0.289 19288 4543 1 11 . 1 1 30 30 ALA C C 30 178.363 178.363 176.816 1.547 19288 4544 1 11 . 1 1 30 30 ALA CA C 30 55.487 55.487 50.611 4.876 19288 4545 1 11 . 1 1 30 30 ALA CB C 30 17.947 17.947 17.449 0.498 19288 4546 1 11 . 1 1 30 30 ALA H H 30 7.987 7.987 8.124 -0.137 19288 4547 1 11 . 1 1 31 31 VAL N N 31 116.442 116.442 117.844 -1.402 19288 4548 1 11 . 1 1 31 31 VAL HA H 31 3.556 3.556 3.849 -0.293 19288 4549 1 11 . 1 1 31 31 VAL C C 31 176.352 176.352 174.652 1.700 19288 4550 1 11 . 1 1 31 31 VAL CA C 31 65.936 65.936 62.160 3.776 19288 4551 1 11 . 1 1 31 31 VAL CB C 31 32.281 32.281 29.456 2.825 19288 4552 1 11 . 1 1 31 31 VAL H H 31 7.636 7.636 7.644 -0.008 19288 4553 1 11 . 1 1 32 32 HIS HA H 32 4.125 4.125 4.537 -0.412 19288 4554 1 11 . 1 1 32 32 HIS C C 32 180.696 180.696 174.742 5.954 19288 4555 1 11 . 1 1 32 32 HIS CA C 32 59.377 59.377 57.373 2.004 19288 4556 1 11 . 1 1 32 32 HIS CB C 32 28.332 28.332 30.378 -2.046 19288 4557 1 11 . 1 1 33 33 ARG N N 33 115.795 115.795 116.705 -0.910 19288 4558 1 11 . 1 1 33 33 ARG HA H 33 3.658 3.658 4.773 -1.115 19288 4559 1 11 . 1 1 33 33 ARG C C 33 178.735 178.735 174.271 4.464 19288 4560 1 11 . 1 1 33 33 ARG CA C 33 60.012 60.012 55.687 4.325 19288 4561 1 11 . 1 1 33 33 ARG CB C 33 31.144 31.144 33.608 -2.464 19288 4562 1 11 . 1 1 33 33 ARG H H 33 8.633 8.633 7.746 0.887 19288 4563 1 11 . 1 1 34 34 MET N N 34 115.672 115.672 120.736 -5.064 19288 4564 1 11 . 1 1 34 34 MET HA H 34 4.211 4.211 5.082 -0.871 19288 4565 1 11 . 1 1 34 34 MET C C 34 176.427 176.427 175.198 1.229 19288 4566 1 11 . 1 1 34 34 MET CA C 34 57.866 57.866 54.510 3.356 19288 4567 1 11 . 1 1 34 34 MET CB C 34 32.221 32.221 36.228 -4.007 19288 4568 1 11 . 1 1 34 34 MET H H 34 7.057 7.057 8.538 -1.481 19288 4569 1 11 . 1 1 35 35 ILE N N 35 116.381 116.381 129.171 -12.790 19288 4570 1 11 . 1 1 35 35 ILE HA H 35 3.904 3.904 4.153 -0.249 19288 4571 1 11 . 1 1 35 35 ILE C C 35 177.504 177.504 175.085 2.419 19288 4572 1 11 . 1 1 35 35 ILE CA C 35 63.402 63.402 61.532 1.871 19288 4573 1 11 . 1 1 35 35 ILE CB C 35 37.724 37.724 37.987 -0.263 19288 4574 1 11 . 1 1 35 35 ILE H H 35 7.811 7.811 8.985 -1.174 19288 4575 1 11 . 1 1 36 36 HIS N N 36 117.423 117.423 127.989 -10.566 19288 4576 1 11 . 1 1 36 36 HIS HA H 36 4.481 4.481 4.715 -0.234 19288 4577 1 11 . 1 1 36 36 HIS C C 36 178.413 178.413 173.679 4.734 19288 4578 1 11 . 1 1 36 36 HIS CA C 36 55.260 55.260 55.568 -0.308 19288 4579 1 11 . 1 1 36 36 HIS CB C 36 28.066 28.066 29.494 -1.429 19288 4580 1 11 . 1 1 36 36 HIS H H 36 7.247 7.247 8.811 -1.564 19288 4581 1 11 . 1 1 37 37 THR N N 37 110.804 110.804 118.106 -7.302 19288 4582 1 11 . 1 1 37 37 THR HA H 37 4.160 4.160 4.378 -0.218 19288 4583 1 11 . 1 1 37 37 THR C C 37 177.179 177.179 173.979 3.200 19288 4584 1 11 . 1 1 37 37 THR CA C 37 62.791 62.791 62.650 0.141 19288 4585 1 11 . 1 1 37 37 THR CB C 37 69.712 69.712 71.150 -1.438 19288 4586 1 11 . 1 1 37 37 THR H H 37 7.553 7.553 7.847 -0.294 19288 4587 1 11 . 1 1 38 38 GLY N N 38 110.842 110.842 110.128 0.714 19288 4588 1 11 . 1 1 38 38 GLY C C 38 175.821 175.821 175.507 0.314 19288 4589 1 11 . 1 1 38 38 GLY CA C 38 45.403 45.403 43.243 2.160 19288 4590 1 11 . 1 1 38 38 GLY H H 38 8.195 8.195 7.799 0.396 19288 4591 1 11 . 1 1 39 39 GLU N N 39 120.441 120.441 124.333 -3.892 19288 4592 1 11 . 1 1 39 39 GLU HA H 39 4.238 4.238 4.314 -0.076 19288 4593 1 11 . 1 1 39 39 GLU C C 39 175.390 175.390 174.801 0.589 19288 4594 1 11 . 1 1 39 39 GLU CA C 39 56.572 56.572 57.934 -1.362 19288 4595 1 11 . 1 1 39 39 GLU H H 39 7.953 7.953 8.776 -0.823 19288 4596 1 11 . 1 1 40 40 LYS N N 40 123.624 123.624 126.528 -2.904 19288 4597 1 11 . 1 1 40 40 LYS HA H 40 4.534 4.534 4.533 0.001 19288 4598 1 11 . 1 1 40 40 LYS C C 40 174.124 174.124 174.342 -0.218 19288 4599 1 11 . 1 1 40 40 LYS CA C 40 54.236 54.236 55.176 -0.940 19288 4600 1 11 . 1 1 40 40 LYS CB C 40 32.769 32.769 35.830 -3.061 19288 4601 1 11 . 1 1 40 40 LYS H H 40 8.321 8.321 7.909 0.412 19288 4602 1 11 . 1 1 41 41 PRO HA H 41 4.404 4.404 5.133 -0.729 19288 4603 1 11 . 1 1 41 41 PRO C C 41 176.103 176.103 175.765 0.338 19288 4604 1 11 . 1 1 41 41 PRO CA C 41 63.174 63.174 62.372 0.802 19288 4605 1 11 . 1 1 41 41 PRO CB C 41 32.306 32.306 32.681 -0.375 19288 4606 1 11 . 1 1 42 42 LEU N N 42 122.177 122.177 127.308 -5.131 19288 4607 1 11 . 1 1 42 42 LEU HA H 42 4.381 4.381 4.753 -0.372 19288 4608 1 11 . 1 1 42 42 LEU CA C 42 54.626 54.626 52.401 2.225 19288 4609 1 11 . 1 1 42 42 LEU CB C 42 42.719 42.719 44.706 -1.988 19288 4610 1 11 . 1 1 42 42 LEU H H 42 8.293 8.293 8.521 -0.228 19288 4611 1 11 . 1 1 43 43 GLN N N 43 119.188 119.188 119.178 0.010 19288 4612 1 11 . 1 1 43 43 GLN HA H 43 5.181 5.181 4.461 0.720 19288 4613 1 11 . 1 1 43 43 GLN C C 43 176.325 176.325 174.814 1.511 19288 4614 1 11 . 1 1 43 43 GLN CA C 43 53.898 53.898 55.749 -1.851 19288 4615 1 11 . 1 1 43 43 GLN CB C 43 32.969 32.969 28.816 4.153 19288 4616 1 11 . 1 1 43 43 GLN H H 43 8.180 8.180 8.604 -0.424 19288 4617 1 11 . 1 1 44 44 CYS N N 44 127.346 127.346 120.685 6.661 19288 4618 1 11 . 1 1 44 44 CYS HA H 44 4.453 4.453 4.719 -0.266 19288 4619 1 11 . 1 1 44 44 CYS C C 44 175.677 175.677 174.518 1.159 19288 4620 1 11 . 1 1 44 44 CYS CA C 44 59.437 59.437 58.100 1.337 19288 4621 1 11 . 1 1 44 44 CYS CB C 44 30.721 30.721 28.981 1.740 19288 4622 1 11 . 1 1 44 44 CYS H H 44 9.299 9.299 7.534 1.765 19288 4623 1 11 . 1 1 45 45 GLU N N 45 131.846 131.846 126.780 5.066 19288 4624 1 11 . 1 1 45 45 GLU HA H 45 4.178 4.178 4.015 0.163 19288 4625 1 11 . 1 1 45 45 GLU C C 45 174.655 174.655 178.221 -3.566 19288 4626 1 11 . 1 1 45 45 GLU CA C 45 58.342 58.342 59.520 -1.178 19288 4627 1 11 . 1 1 45 45 GLU CB C 45 29.819 29.819 29.599 0.220 19288 4628 1 11 . 1 1 45 45 GLU H H 45 9.602 9.602 9.173 0.429 19288 4629 1 11 . 1 1 46 46 ILE N N 46 121.898 121.898 118.735 3.163 19288 4630 1 11 . 1 1 46 46 ILE HA H 46 3.840 3.840 4.068 -0.228 19288 4631 1 11 . 1 1 46 46 ILE C C 46 177.404 177.404 178.302 -0.898 19288 4632 1 11 . 1 1 46 46 ILE CA C 46 63.494 63.494 64.367 -0.873 19288 4633 1 11 . 1 1 46 46 ILE CB C 46 38.461 38.461 37.023 1.438 19288 4634 1 11 . 1 1 46 46 ILE H H 46 8.973 8.973 8.639 0.334 19288 4635 1 11 . 1 1 47 47 CYS N N 47 117.274 117.274 118.079 -0.805 19288 4636 1 11 . 1 1 47 47 CYS HA H 47 5.231 5.231 4.379 0.852 19288 4637 1 11 . 1 1 47 47 CYS C C 47 176.087 176.087 177.053 -0.966 19288 4638 1 11 . 1 1 47 47 CYS CA C 47 58.455 58.455 62.069 -3.614 19288 4639 1 11 . 1 1 47 47 CYS CB C 47 33.590 33.590 27.767 5.822 19288 4640 1 11 . 1 1 47 47 CYS H H 47 8.432 8.432 7.532 0.900 19288 4641 1 11 . 1 1 48 48 GLY N N 48 112.655 112.655 111.092 1.563 19288 4642 1 11 . 1 1 48 48 GLY C C 48 177.177 177.177 176.971 0.206 19288 4643 1 11 . 1 1 48 48 GLY CA C 48 46.253 46.253 48.132 -1.879 19288 4644 1 11 . 1 1 48 48 GLY H H 48 8.016 8.016 7.634 0.382 19288 4645 1 11 . 1 1 49 49 PHE N N 49 125.000 125.000 119.704 5.296 19288 4646 1 11 . 1 1 49 49 PHE HA H 49 4.272 4.272 4.068 0.204 19288 4647 1 11 . 1 1 49 49 PHE C C 49 176.313 176.313 177.664 -1.351 19288 4648 1 11 . 1 1 49 49 PHE CA C 49 59.750 59.750 61.718 -1.968 19288 4649 1 11 . 1 1 49 49 PHE CB C 49 41.278 41.278 38.720 2.558 19288 4650 1 11 . 1 1 49 49 PHE H H 49 8.333 8.333 8.500 -0.167 19288 4651 1 11 . 1 1 50 50 THR N N 50 118.297 118.297 111.982 6.315 19288 4652 1 11 . 1 1 50 50 THR HA H 50 5.150 5.150 4.173 0.977 19288 4653 1 11 . 1 1 50 50 THR C C 50 173.480 173.480 176.712 -3.232 19288 4654 1 11 . 1 1 50 50 THR CA C 50 59.186 59.186 65.357 -6.171 19288 4655 1 11 . 1 1 50 50 THR CB C 50 71.954 71.954 68.694 3.260 19288 4656 1 11 . 1 1 50 50 THR H H 50 7.336 7.336 7.573 -0.237 19288 4657 1 11 . 1 1 51 51 CYS N N 51 115.101 115.101 120.848 -5.747 19288 4658 1 11 . 1 1 51 51 CYS HA H 51 4.540 4.540 3.850 0.690 19288 4659 1 11 . 1 1 51 51 CYS C C 51 173.381 173.381 177.045 -3.664 19288 4660 1 11 . 1 1 51 51 CYS CA C 51 56.305 56.305 63.164 -6.859 19288 4661 1 11 . 1 1 51 51 CYS CB C 51 30.578 30.578 27.902 2.676 19288 4662 1 11 . 1 1 51 51 CYS H H 51 8.318 8.318 8.338 -0.020 19288 4663 1 11 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.325 0.241 19288 4664 1 11 . 1 1 52 52 ARG C C 52 172.494 172.494 177.803 -5.309 19288 4665 1 11 . 1 1 52 52 ARG CA C 52 56.923 56.923 58.593 -1.670 19288 4666 1 11 . 1 1 52 52 ARG CB C 52 31.891 31.891 29.739 2.152 19288 4667 1 11 . 1 1 53 53 GLN N N 53 115.534 115.534 119.535 -4.001 19288 4668 1 11 . 1 1 53 53 GLN HA H 53 4.719 4.719 3.987 0.732 19288 4669 1 11 . 1 1 53 53 GLN CA C 53 54.637 54.637 58.837 -4.200 19288 4670 1 11 . 1 1 53 53 GLN CB C 53 30.904 30.904 28.089 2.815 19288 4671 1 11 . 1 1 53 53 GLN H H 53 7.649 7.649 7.621 0.028 19288 4672 1 11 . 1 1 54 54 LYS N N 54 127.065 127.065 116.918 10.147 19288 4673 1 11 . 1 1 54 54 LYS HA H 54 3.771 3.771 4.061 -0.290 19288 4674 1 11 . 1 1 54 54 LYS C C 54 176.035 176.035 178.485 -2.450 19288 4675 1 11 . 1 1 54 54 LYS CA C 54 59.833 59.833 58.193 1.640 19288 4676 1 11 . 1 1 54 54 LYS CB C 54 32.087 32.087 31.723 0.365 19288 4677 1 11 . 1 1 54 54 LYS H H 54 9.132 9.132 7.669 1.463 19288 4678 1 11 . 1 1 55 55 ALA N N 55 120.230 120.230 120.667 -0.437 19288 4679 1 11 . 1 1 55 55 ALA HA H 55 4.135 4.135 4.346 -0.211 19288 4680 1 11 . 1 1 55 55 ALA C C 55 176.728 176.728 178.999 -2.271 19288 4681 1 11 . 1 1 55 55 ALA CA C 55 55.456 55.456 55.053 0.403 19288 4682 1 11 . 1 1 55 55 ALA CB C 55 18.224 18.224 19.308 -1.084 19288 4683 1 11 . 1 1 55 55 ALA H H 55 9.016 9.016 7.038 1.978 19288 4684 1 11 . 1 1 56 56 SER N N 56 112.225 112.225 114.804 -2.579 19288 4685 1 11 . 1 1 56 56 SER HA H 56 4.509 4.509 4.139 0.370 19288 4686 1 11 . 1 1 56 56 SER C C 56 178.309 178.309 176.475 1.834 19288 4687 1 11 . 1 1 56 56 SER CA C 56 61.172 61.172 60.949 0.223 19288 4688 1 11 . 1 1 56 56 SER CB C 56 62.925 62.925 63.252 -0.327 19288 4689 1 11 . 1 1 56 56 SER H H 56 7.097 7.097 7.901 -0.804 19288 4690 1 11 . 1 1 57 57 LEU N N 57 126.317 126.317 120.418 5.899 19288 4691 1 11 . 1 1 57 57 LEU HA H 57 4.327 4.327 4.100 0.227 19288 4692 1 11 . 1 1 57 57 LEU C C 57 180.642 180.642 178.450 2.192 19288 4693 1 11 . 1 1 57 57 LEU CA C 57 58.038 58.038 57.862 0.176 19288 4694 1 11 . 1 1 57 57 LEU CB C 57 41.443 41.443 41.747 -0.304 19288 4695 1 11 . 1 1 57 57 LEU H H 57 7.667 7.667 7.716 -0.049 19288 4696 1 11 . 1 1 58 58 ASN N N 58 118.325 118.325 116.033 2.292 19288 4697 1 11 . 1 1 58 58 ASN HA H 58 4.364 4.364 4.982 -0.618 19288 4698 1 11 . 1 1 58 58 ASN C C 58 176.770 176.770 177.156 -0.386 19288 4699 1 11 . 1 1 58 58 ASN CA C 58 56.457 56.457 54.582 1.875 19288 4700 1 11 . 1 1 58 58 ASN CB C 58 37.852 37.852 38.831 -0.979 19288 4701 1 11 . 1 1 58 58 ASN H H 58 8.533 8.533 7.973 0.560 19288 4702 1 11 . 1 1 59 59 TRP N N 59 119.802 119.802 122.117 -2.315 19288 4703 1 11 . 1 1 59 59 TRP HA H 59 4.349 4.349 3.474 0.875 19288 4704 1 11 . 1 1 59 59 TRP C C 59 178.160 178.160 176.999 1.161 19288 4705 1 11 . 1 1 59 59 TRP CA C 59 60.432 60.432 60.456 -0.025 19288 4706 1 11 . 1 1 59 59 TRP CB C 59 29.304 29.304 28.486 0.818 19288 4707 1 11 . 1 1 59 59 TRP H H 59 7.914 7.914 7.529 0.385 19288 4708 1 11 . 1 1 60 60 HIS N N 60 119.175 119.175 120.154 -0.979 19288 4709 1 11 . 1 1 60 60 HIS HA H 60 3.675 3.675 4.293 -0.618 19288 4710 1 11 . 1 1 60 60 HIS C C 60 174.721 174.721 176.813 -2.092 19288 4711 1 11 . 1 1 60 60 HIS CA C 60 60.038 60.038 57.810 2.228 19288 4712 1 11 . 1 1 60 60 HIS CB C 60 28.143 28.143 28.831 -0.688 19288 4713 1 11 . 1 1 60 60 HIS H H 60 8.131 8.131 7.830 0.301 19288 4714 1 11 . 1 1 61 61 MET N N 61 114.602 114.602 116.083 -1.481 19288 4715 1 11 . 1 1 61 61 MET HA H 61 4.127 4.127 4.227 -0.100 19288 4716 1 11 . 1 1 61 61 MET C C 61 178.337 178.337 177.102 1.235 19288 4717 1 11 . 1 1 61 61 MET CA C 61 57.177 57.177 55.445 1.732 19288 4718 1 11 . 1 1 61 61 MET CB C 61 30.085 30.085 30.947 -0.862 19288 4719 1 11 . 1 1 61 61 MET H H 61 8.448 8.448 7.794 0.654 19288 4720 1 11 . 1 1 62 62 LYS N N 62 118.858 118.858 118.877 -0.019 19288 4721 1 11 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.029 -0.031 19288 4722 1 11 . 1 1 62 62 LYS C C 62 176.716 176.716 177.051 -0.335 19288 4723 1 11 . 1 1 62 62 LYS CA C 62 58.512 58.512 58.345 0.167 19288 4724 1 11 . 1 1 62 62 LYS CB C 62 31.694 31.694 32.618 -0.924 19288 4725 1 11 . 1 1 62 62 LYS H H 62 7.285 7.285 7.590 -0.305 19288 4726 1 11 . 1 1 63 63 LYS N N 63 117.683 117.683 118.891 -1.208 19288 4727 1 11 . 1 1 63 63 LYS HA H 63 3.793 3.793 4.516 -0.723 19288 4728 1 11 . 1 1 63 63 LYS C C 63 179.150 179.150 174.878 4.272 19288 4729 1 11 . 1 1 63 63 LYS CA C 63 57.827 57.827 55.246 2.581 19288 4730 1 11 . 1 1 63 63 LYS CB C 63 31.272 31.272 35.490 -4.218 19288 4731 1 11 . 1 1 63 63 LYS H H 63 7.516 7.516 7.688 -0.172 19288 4732 1 11 . 1 1 64 64 HIS N N 64 115.200 115.200 120.908 -5.708 19288 4733 1 11 . 1 1 64 64 HIS HA H 64 4.708 4.708 4.761 -0.053 19288 4734 1 11 . 1 1 64 64 HIS C C 64 178.727 178.727 173.108 5.619 19288 4735 1 11 . 1 1 64 64 HIS CA C 64 55.628 55.628 55.225 0.403 19288 4736 1 11 . 1 1 64 64 HIS CB C 64 28.782 28.782 32.593 -3.811 19288 4737 1 11 . 1 1 64 64 HIS H H 64 7.155 7.155 8.565 -1.410 19288 4738 1 11 . 1 1 65 65 ASP N N 65 120.441 120.441 122.872 -2.431 19288 4739 1 11 . 1 1 65 65 ASP HA H 65 4.503 4.503 4.955 -0.452 19288 4740 1 11 . 1 1 65 65 ASP C C 65 177.648 177.648 176.945 0.703 19288 4741 1 11 . 1 1 65 65 ASP CA C 65 55.296 55.296 53.304 1.992 19288 4742 1 11 . 1 1 65 65 ASP CB C 65 41.122 41.122 43.136 -2.014 19288 4743 1 11 . 1 1 65 65 ASP H H 65 7.653 7.653 8.931 -1.278 19288 4744 1 11 . 1 1 66 66 ALA N N 66 123.184 123.184 129.315 -6.131 19288 4745 1 11 . 1 1 66 66 ALA HA H 66 4.141 4.141 4.175 -0.034 19288 4746 1 11 . 1 1 66 66 ALA C C 66 175.172 175.172 178.823 -3.651 19288 4747 1 11 . 1 1 66 66 ALA CA C 66 53.693 53.693 54.455 -0.762 19288 4748 1 11 . 1 1 66 66 ALA CB C 66 19.049 19.049 19.048 0.001 19288 4749 1 11 . 1 1 66 66 ALA H H 66 8.088 8.088 8.770 -0.682 19288 4750 1 11 . 1 1 67 67 ASP N N 67 117.608 117.608 119.453 -1.845 19288 4751 1 11 . 1 1 67 67 ASP HA H 67 4.175 4.175 4.491 -0.316 19288 4752 1 11 . 1 1 67 67 ASP C C 67 176.687 176.687 176.639 0.048 19288 4753 1 11 . 1 1 67 67 ASP CA C 67 54.842 54.842 55.355 -0.513 19288 4754 1 11 . 1 1 67 67 ASP CB C 67 40.957 40.957 41.350 -0.393 19288 4755 1 11 . 1 1 67 67 ASP H H 67 7.999 7.999 8.356 -0.357 19288 4756 1 11 . 1 1 68 68 SER N N 68 114.794 114.794 112.928 1.866 19288 4757 1 11 . 1 1 68 68 SER HA H 68 4.145 4.145 4.812 -0.667 19288 4758 1 11 . 1 1 68 68 SER C C 68 178.056 178.056 174.513 3.543 19288 4759 1 11 . 1 1 68 68 SER CA C 68 59.397 59.397 56.343 3.054 19288 4760 1 11 . 1 1 68 68 SER CB C 68 63.682 63.682 65.024 -1.342 19288 4761 1 11 . 1 1 68 68 SER H H 68 7.797 7.797 7.838 -0.041 19288 4762 1 11 . 1 1 69 69 PHE N N 69 120.277 120.277 121.834 -1.557 19288 4763 1 11 . 1 1 69 69 PHE HA H 69 4.474 4.474 4.527 -0.053 19288 4764 1 11 . 1 1 69 69 PHE C C 69 176.959 176.959 175.021 1.938 19288 4765 1 11 . 1 1 69 69 PHE CA C 69 58.048 58.048 58.071 -0.023 19288 4766 1 11 . 1 1 69 69 PHE H H 69 7.850 7.850 8.461 -0.611 19288 4767 1 11 . 1 1 70 70 TYR N N 70 121.023 121.023 120.863 0.160 19288 4768 1 11 . 1 1 70 70 TYR HA H 70 4.494 4.494 3.869 0.625 19288 4769 1 11 . 1 1 70 70 TYR C C 70 174.330 174.330 175.121 -0.791 19288 4770 1 11 . 1 1 70 70 TYR CA C 70 56.491 56.491 57.497 -1.006 19288 4771 1 11 . 1 1 70 70 TYR CB C 70 37.727 37.727 39.118 -1.391 19288 4772 1 11 . 1 1 70 70 TYR H H 70 7.818 7.818 8.144 -0.326 19288 4773 1 11 . 1 1 71 71 GLN N N 71 119.046 119.046 117.683 1.363 19288 4774 1 11 . 1 1 71 71 GLN HA H 71 4.085 4.085 4.135 -0.050 19288 4775 1 11 . 1 1 71 71 GLN C C 71 175.830 175.830 174.273 1.557 19288 4776 1 11 . 1 1 71 71 GLN CA C 71 56.485 56.485 56.442 0.043 19288 4777 1 11 . 1 1 71 71 GLN CB C 71 30.291 30.291 25.960 4.331 19288 4778 1 11 . 1 1 71 71 GLN H H 71 8.352 8.352 8.134 0.218 19288 4779 1 11 . 1 1 72 72 PHE N N 72 117.779 117.779 116.858 0.921 19288 4780 1 11 . 1 1 72 72 PHE HA H 72 4.850 4.850 4.645 0.205 19288 4781 1 11 . 1 1 72 72 PHE C C 72 176.323 176.323 176.526 -0.203 19288 4782 1 11 . 1 1 72 72 PHE CA C 72 57.157 57.157 56.432 0.725 19288 4783 1 11 . 1 1 72 72 PHE CB C 72 41.106 41.106 40.642 0.464 19288 4784 1 11 . 1 1 72 72 PHE H H 72 7.901 7.901 7.921 -0.020 19288 4785 1 11 . 1 1 73 73 SER N N 73 114.707 114.707 116.052 -1.345 19288 4786 1 11 . 1 1 73 73 SER HA H 73 5.469 5.469 4.413 1.056 19288 4787 1 11 . 1 1 73 73 SER C C 73 175.151 175.151 174.146 1.005 19288 4788 1 11 . 1 1 73 73 SER CA C 73 57.026 57.026 59.759 -2.733 19288 4789 1 11 . 1 1 73 73 SER CB C 73 65.963 65.963 63.407 2.556 19288 4790 1 11 . 1 1 73 73 SER H H 73 8.744 8.744 8.806 -0.062 19288 4791 1 11 . 1 1 74 74 CYS N N 74 124.143 124.143 115.795 8.348 19288 4792 1 11 . 1 1 74 74 CYS HA H 74 4.391 4.391 4.609 -0.218 19288 4793 1 11 . 1 1 74 74 CYS C C 74 174.848 174.848 173.956 0.892 19288 4794 1 11 . 1 1 74 74 CYS CA C 74 59.743 59.743 57.549 2.194 19288 4795 1 11 . 1 1 74 74 CYS CB C 74 30.581 30.581 30.247 0.334 19288 4796 1 11 . 1 1 74 74 CYS H H 74 9.154 9.154 7.392 1.762 19288 4797 1 11 . 1 1 75 75 ASN HA H 75 4.501 4.501 4.134 0.367 19288 4798 1 11 . 1 1 75 75 ASN C C 75 173.664 173.664 176.904 -3.240 19288 4799 1 11 . 1 1 75 75 ASN CA C 75 55.316 55.316 56.299 -0.983 19288 4800 1 11 . 1 1 75 75 ASN CB C 75 36.774 36.774 38.178 -1.404 19288 4801 1 11 . 1 1 76 76 ILE N N 76 123.143 123.143 119.257 3.886 19288 4802 1 11 . 1 1 76 76 ILE HA H 76 3.908 3.908 3.874 0.034 19288 4803 1 11 . 1 1 76 76 ILE CA C 76 63.223 63.223 64.976 -1.753 19288 4804 1 11 . 1 1 76 76 ILE CB C 76 38.269 38.269 37.427 0.842 19288 4805 1 11 . 1 1 76 76 ILE H H 76 8.921 8.921 8.463 0.458 19288 4806 1 11 . 1 1 77 77 CYS N N 77 116.298 116.298 118.215 -1.917 19288 4807 1 11 . 1 1 77 77 CYS HA H 77 5.159 5.159 3.947 1.212 19288 4808 1 11 . 1 1 77 77 CYS C C 77 174.401 174.401 176.392 -1.991 19288 4809 1 11 . 1 1 77 77 CYS CA C 77 58.394 58.394 61.566 -3.172 19288 4810 1 11 . 1 1 77 77 CYS CB C 77 32.743 32.743 26.765 5.978 19288 4811 1 11 . 1 1 77 77 CYS H H 77 8.243 8.243 7.393 0.850 19288 4812 1 11 . 1 1 78 78 GLY N N 78 113.607 113.607 111.554 2.053 19288 4813 1 11 . 1 1 78 78 GLY C C 78 176.862 176.862 176.487 0.375 19288 4814 1 11 . 1 1 78 78 GLY CA C 78 46.321 46.321 49.275 -2.954 19288 4815 1 11 . 1 1 78 78 GLY H H 78 8.060 8.060 7.016 1.044 19288 4816 1 11 . 1 1 79 79 LYS N N 79 123.134 123.134 120.545 2.589 19288 4817 1 11 . 1 1 79 79 LYS HA H 79 3.950 3.950 3.838 0.112 19288 4818 1 11 . 1 1 79 79 LYS C C 79 176.484 176.484 178.120 -1.636 19288 4819 1 11 . 1 1 79 79 LYS CA C 79 58.342 58.342 60.798 -2.456 19288 4820 1 11 . 1 1 79 79 LYS CB C 79 33.770 33.770 31.668 2.102 19288 4821 1 11 . 1 1 79 79 LYS H H 79 7.977 7.977 8.167 -0.190 19288 4822 1 11 . 1 1 80 80 LYS N N 80 121.440 121.440 118.956 2.484 19288 4823 1 11 . 1 1 80 80 LYS HA H 80 4.884 4.884 4.026 0.858 19288 4824 1 11 . 1 1 80 80 LYS C C 80 173.961 173.961 178.345 -4.384 19288 4825 1 11 . 1 1 80 80 LYS CA C 80 55.524 55.524 59.247 -3.723 19288 4826 1 11 . 1 1 80 80 LYS CB C 80 35.024 35.024 31.556 3.468 19288 4827 1 11 . 1 1 80 80 LYS H H 80 7.918 7.918 7.539 0.379 19288 4828 1 11 . 1 1 81 81 PHE N N 81 116.724 116.724 120.194 -3.470 19288 4829 1 11 . 1 1 81 81 PHE HA H 81 4.598 4.598 4.328 0.270 19288 4830 1 11 . 1 1 81 81 PHE C C 81 174.541 174.541 178.008 -3.467 19288 4831 1 11 . 1 1 81 81 PHE CA C 81 57.359 57.359 61.934 -4.575 19288 4832 1 11 . 1 1 81 81 PHE CB C 81 44.738 44.738 39.416 5.322 19288 4833 1 11 . 1 1 81 81 PHE H H 81 8.725 8.725 7.848 0.877 19288 4834 1 11 . 1 1 82 82 GLU N N 82 120.474 120.474 118.537 1.937 19288 4835 1 11 . 1 1 82 82 GLU HA H 82 4.155 4.155 4.305 -0.150 19288 4836 1 11 . 1 1 82 82 GLU C C 82 175.832 175.832 177.744 -1.912 19288 4837 1 11 . 1 1 82 82 GLU CA C 82 57.900 57.900 59.018 -1.118 19288 4838 1 11 . 1 1 82 82 GLU CB C 82 30.829 30.829 29.801 1.028 19288 4839 1 11 . 1 1 82 82 GLU H H 82 8.775 8.775 8.411 0.364 19288 4840 1 11 . 1 1 83 83 LYS N N 83 114.607 114.607 118.726 -4.119 19288 4841 1 11 . 1 1 83 83 LYS HA H 83 4.607 4.607 4.141 0.466 19288 4842 1 11 . 1 1 83 83 LYS C C 83 174.585 174.585 178.373 -3.788 19288 4843 1 11 . 1 1 83 83 LYS CA C 83 54.369 54.369 59.188 -4.819 19288 4844 1 11 . 1 1 83 83 LYS CB C 83 35.540 35.540 32.267 3.272 19288 4845 1 11 . 1 1 83 83 LYS H H 83 7.547 7.547 7.793 -0.246 19288 4846 1 11 . 1 1 84 84 LYS N N 84 124.921 124.921 116.939 7.982 19288 4847 1 11 . 1 1 84 84 LYS HA H 84 3.073 3.073 4.356 -1.283 19288 4848 1 11 . 1 1 84 84 LYS C C 84 176.545 176.545 178.850 -2.305 19288 4849 1 11 . 1 1 84 84 LYS CA C 84 59.680 59.680 57.598 2.082 19288 4850 1 11 . 1 1 84 84 LYS CB C 84 31.920 31.920 32.331 -0.411 19288 4851 1 11 . 1 1 84 84 LYS H H 84 8.162 8.162 7.666 0.496 19288 4852 1 11 . 1 1 85 85 ASP N N 85 116.468 116.468 118.964 -2.496 19288 4853 1 11 . 1 1 85 85 ASP HA H 85 4.192 4.192 4.320 -0.128 19288 4854 1 11 . 1 1 85 85 ASP C C 85 176.385 176.385 175.753 0.632 19288 4855 1 11 . 1 1 85 85 ASP CA C 85 56.789 56.789 56.100 0.689 19288 4856 1 11 . 1 1 85 85 ASP CB C 85 39.780 39.780 40.950 -1.171 19288 4857 1 11 . 1 1 85 85 ASP H H 85 8.682 8.682 7.856 0.826 19288 4858 1 11 . 1 1 86 86 SER N N 86 114.601 114.601 116.435 -1.834 19288 4859 1 11 . 1 1 86 86 SER HA H 86 4.183 4.183 4.833 -0.650 19288 4860 1 11 . 1 1 86 86 SER C C 86 179.169 179.169 172.241 6.928 19288 4861 1 11 . 1 1 86 86 SER CA C 86 60.939 60.939 55.050 5.889 19288 4862 1 11 . 1 1 86 86 SER CB C 86 62.823 62.823 63.849 -1.026 19288 4863 1 11 . 1 1 86 86 SER H H 86 7.200 7.200 7.586 -0.386 19288 4864 1 11 . 1 1 87 87 VAL HA H 87 2.698 2.698 4.181 -1.483 19288 4865 1 11 . 1 1 87 87 VAL C C 87 178.806 178.806 175.087 3.719 19288 4866 1 11 . 1 1 87 87 VAL CA C 87 66.028 66.028 62.069 3.959 19288 4867 1 11 . 1 1 87 87 VAL CB C 87 31.461 31.461 30.977 0.484 19288 4868 1 11 . 1 1 88 88 VAL N N 88 120.424 120.424 123.257 -2.833 19288 4869 1 11 . 1 1 88 88 VAL HA H 88 3.485 3.485 4.226 -0.741 19288 4870 1 11 . 1 1 88 88 VAL C C 88 176.208 176.208 176.134 0.074 19288 4871 1 11 . 1 1 88 88 VAL CA C 88 66.735 66.735 61.580 5.155 19288 4872 1 11 . 1 1 88 88 VAL CB C 88 31.948 31.948 31.190 0.758 19288 4873 1 11 . 1 1 88 88 VAL H H 88 7.190 7.190 7.862 -0.672 19288 4874 1 12 . 1 1 10 10 HIS HA H 10 4.620 4.620 4.883 -0.263 19288 4875 1 12 . 1 1 10 10 HIS CA C 10 56.302 56.302 54.541 1.761 19288 4876 1 12 . 1 1 10 10 HIS CB C 10 30.312 30.312 32.184 -1.872 19288 4877 1 12 . 1 1 11 11 MET N N 11 121.464 121.464 123.777 -2.313 19288 4878 1 12 . 1 1 11 11 MET HA H 11 4.387 4.387 4.702 -0.315 19288 4879 1 12 . 1 1 11 11 MET CA C 11 55.835 55.835 55.418 0.417 19288 4880 1 12 . 1 1 11 11 MET CB C 11 32.794 32.794 34.285 -1.491 19288 4881 1 12 . 1 1 11 11 MET H H 11 8.178 8.178 8.370 -0.192 19288 4882 1 12 . 1 1 12 12 ARG N N 12 121.614 121.614 122.173 -0.559 19288 4883 1 12 . 1 1 12 12 ARG HA H 12 4.244 4.244 4.271 -0.027 19288 4884 1 12 . 1 1 12 12 ARG CA C 12 55.802 55.802 57.169 -1.367 19288 4885 1 12 . 1 1 12 12 ARG CB C 12 31.110 31.110 30.592 0.518 19288 4886 1 12 . 1 1 12 12 ARG H H 12 8.209 8.209 8.563 -0.354 19288 4887 1 12 . 1 1 13 13 ASP N N 13 119.634 119.634 117.913 1.721 19288 4888 1 12 . 1 1 13 13 ASP HA H 13 4.667 4.667 4.671 -0.004 19288 4889 1 12 . 1 1 13 13 ASP C C 13 175.723 175.723 173.857 1.866 19288 4890 1 12 . 1 1 13 13 ASP CA C 13 54.112 54.112 53.666 0.446 19288 4891 1 12 . 1 1 13 13 ASP CB C 13 42.459 42.459 42.429 0.030 19288 4892 1 12 . 1 1 13 13 ASP H H 13 7.858 7.858 7.557 0.301 19288 4893 1 12 . 1 1 14 14 TYR N N 14 120.932 120.932 119.198 1.734 19288 4894 1 12 . 1 1 14 14 TYR HA H 14 4.534 4.534 4.761 -0.227 19288 4895 1 12 . 1 1 14 14 TYR C C 14 174.767 174.767 176.393 -1.626 19288 4896 1 12 . 1 1 14 14 TYR CA C 14 57.521 57.521 57.809 -0.288 19288 4897 1 12 . 1 1 14 14 TYR CB C 14 38.608 38.608 42.789 -4.181 19288 4898 1 12 . 1 1 14 14 TYR H H 14 8.676 8.676 8.292 0.384 19288 4899 1 12 . 1 1 15 15 ILE N N 15 124.585 124.585 122.642 1.943 19288 4900 1 12 . 1 1 15 15 ILE HA H 15 4.714 4.714 4.137 0.577 19288 4901 1 12 . 1 1 15 15 ILE C C 15 175.178 175.178 175.971 -0.793 19288 4902 1 12 . 1 1 15 15 ILE CA C 15 59.647 59.647 63.897 -4.250 19288 4903 1 12 . 1 1 15 15 ILE CB C 15 39.969 39.969 38.609 1.360 19288 4904 1 12 . 1 1 15 15 ILE H H 15 8.479 8.479 8.529 -0.050 19288 4905 1 12 . 1 1 16 16 CYS N N 16 129.411 129.411 115.500 13.911 19288 4906 1 12 . 1 1 16 16 CYS HA H 16 4.334 4.334 4.624 -0.290 19288 4907 1 12 . 1 1 16 16 CYS C C 16 174.675 174.675 174.902 -0.227 19288 4908 1 12 . 1 1 16 16 CYS CA C 16 61.303 61.303 57.427 3.876 19288 4909 1 12 . 1 1 16 16 CYS CB C 16 30.233 30.233 31.087 -0.854 19288 4910 1 12 . 1 1 16 16 CYS H H 16 9.141 9.141 7.659 1.482 19288 4911 1 12 . 1 1 17 17 GLU N N 17 133.830 133.830 123.755 10.075 19288 4912 1 12 . 1 1 17 17 GLU HA H 17 4.200 4.200 3.728 0.472 19288 4913 1 12 . 1 1 17 17 GLU C C 17 175.826 175.826 178.092 -2.266 19288 4914 1 12 . 1 1 17 17 GLU CA C 17 58.616 58.616 59.208 -0.592 19288 4915 1 12 . 1 1 17 17 GLU CB C 17 28.133 28.133 29.277 -1.144 19288 4916 1 12 . 1 1 17 17 GLU H H 17 10.744 10.744 8.391 2.353 19288 4917 1 12 . 1 1 18 18 TYR N N 18 121.850 121.850 121.649 0.201 19288 4918 1 12 . 1 1 18 18 TYR HA H 18 4.316 4.316 4.363 -0.047 19288 4919 1 12 . 1 1 18 18 TYR C C 18 176.782 176.782 178.130 -1.348 19288 4920 1 12 . 1 1 18 18 TYR CA C 18 60.371 60.371 60.595 -0.224 19288 4921 1 12 . 1 1 18 18 TYR CB C 18 37.374 37.374 38.152 -0.778 19288 4922 1 12 . 1 1 18 18 TYR H H 18 9.190 9.190 8.600 0.590 19288 4923 1 12 . 1 1 19 19 CYS N N 19 116.138 116.138 119.092 -2.954 19288 4924 1 12 . 1 1 19 19 CYS HA H 19 5.111 5.111 4.294 0.817 19288 4925 1 12 . 1 1 19 19 CYS C C 19 176.019 176.019 177.095 -1.076 19288 4926 1 12 . 1 1 19 19 CYS CA C 19 58.721 58.721 61.714 -2.993 19288 4927 1 12 . 1 1 19 19 CYS CB C 19 32.573 32.573 27.716 4.857 19288 4928 1 12 . 1 1 19 19 CYS H H 19 7.999 7.999 8.091 -0.092 19288 4929 1 12 . 1 1 20 20 ALA N N 20 122.058 122.058 122.121 -0.063 19288 4930 1 12 . 1 1 20 20 ALA HA H 20 4.140 4.140 3.353 0.787 19288 4931 1 12 . 1 1 20 20 ALA C C 20 177.014 177.014 178.306 -1.292 19288 4932 1 12 . 1 1 20 20 ALA CA C 20 54.584 54.584 54.597 -0.013 19288 4933 1 12 . 1 1 20 20 ALA CB C 20 17.127 17.127 18.781 -1.654 19288 4934 1 12 . 1 1 20 20 ALA H H 20 8.067 8.067 8.108 -0.041 19288 4935 1 12 . 1 1 21 21 ARG N N 21 121.286 121.286 119.239 2.047 19288 4936 1 12 . 1 1 21 21 ARG HA H 21 4.003 4.003 4.002 0.001 19288 4937 1 12 . 1 1 21 21 ARG C C 21 175.133 175.133 178.431 -3.298 19288 4938 1 12 . 1 1 21 21 ARG CA C 21 58.236 58.236 59.042 -0.806 19288 4939 1 12 . 1 1 21 21 ARG CB C 21 31.677 31.677 29.246 2.431 19288 4940 1 12 . 1 1 21 21 ARG H H 21 7.947 7.947 7.881 0.066 19288 4941 1 12 . 1 1 22 22 ALA N N 22 123.966 123.966 120.491 3.475 19288 4942 1 12 . 1 1 22 22 ALA HA H 22 5.008 5.008 3.789 1.219 19288 4943 1 12 . 1 1 22 22 ALA C C 22 175.750 175.750 179.235 -3.485 19288 4944 1 12 . 1 1 22 22 ALA CA C 22 50.811 50.811 55.766 -4.955 19288 4945 1 12 . 1 1 22 22 ALA CB C 22 21.928 21.928 18.888 3.040 19288 4946 1 12 . 1 1 22 22 ALA H H 22 7.968 7.968 7.435 0.533 19288 4947 1 12 . 1 1 23 23 PHE N N 23 118.728 118.728 120.164 -1.436 19288 4948 1 12 . 1 1 23 23 PHE HA H 23 4.678 4.678 4.313 0.365 19288 4949 1 12 . 1 1 23 23 PHE C C 23 173.852 173.852 178.319 -4.467 19288 4950 1 12 . 1 1 23 23 PHE CA C 23 57.367 57.367 61.560 -4.193 19288 4951 1 12 . 1 1 23 23 PHE CB C 23 43.458 43.458 39.191 4.267 19288 4952 1 12 . 1 1 23 23 PHE H H 23 9.004 9.004 7.442 1.562 19288 4953 1 12 . 1 1 24 24 LYS N N 24 119.176 119.176 118.399 0.777 19288 4954 1 12 . 1 1 24 24 LYS HA H 24 4.709 4.709 4.377 0.332 19288 4955 1 12 . 1 1 24 24 LYS C C 24 176.934 176.934 178.176 -1.242 19288 4956 1 12 . 1 1 24 24 LYS CA C 24 56.482 56.482 58.456 -1.974 19288 4957 1 12 . 1 1 24 24 LYS CB C 24 33.111 33.111 31.856 1.255 19288 4958 1 12 . 1 1 24 24 LYS H H 24 9.211 9.211 8.414 0.797 19288 4959 1 12 . 1 1 25 25 SER N N 25 110.950 110.950 115.780 -4.830 19288 4960 1 12 . 1 1 25 25 SER HA H 25 4.566 4.566 4.286 0.280 19288 4961 1 12 . 1 1 25 25 SER C C 25 175.671 175.671 175.212 0.459 19288 4962 1 12 . 1 1 25 25 SER CA C 25 55.683 55.683 60.968 -5.285 19288 4963 1 12 . 1 1 25 25 SER CB C 25 66.490 66.490 63.722 2.768 19288 4964 1 12 . 1 1 25 25 SER H H 25 7.474 7.474 7.574 -0.100 19288 4965 1 12 . 1 1 26 26 SER N N 26 119.411 119.411 113.162 6.249 19288 4966 1 12 . 1 1 26 26 SER C C 26 176.269 176.269 177.322 -1.053 19288 4967 1 12 . 1 1 26 26 SER CA C 26 60.616 60.616 60.021 0.595 19288 4968 1 12 . 1 1 26 26 SER CB C 26 61.758 61.758 61.549 0.209 19288 4969 1 12 . 1 1 26 26 SER H H 26 8.487 8.487 7.463 1.024 19288 4970 1 12 . 1 1 27 27 HIS HA H 27 4.258 4.258 4.587 -0.329 19288 4971 1 12 . 1 1 27 27 HIS C C 27 173.658 173.658 176.754 -3.096 19288 4972 1 12 . 1 1 27 27 HIS CA C 27 59.581 59.581 58.497 1.084 19288 4973 1 12 . 1 1 27 27 HIS CB C 27 29.913 29.913 29.232 0.681 19288 4974 1 12 . 1 1 28 28 ASN N N 28 117.126 117.126 116.064 1.062 19288 4975 1 12 . 1 1 28 28 ASN HA H 28 4.216 4.216 4.550 -0.334 19288 4976 1 12 . 1 1 28 28 ASN CA C 28 55.547 55.547 55.314 0.233 19288 4977 1 12 . 1 1 28 28 ASN CB C 28 37.634 37.634 39.071 -1.437 19288 4978 1 12 . 1 1 28 28 ASN H H 28 7.681 7.681 7.507 0.174 19288 4979 1 12 . 1 1 29 29 LEU N N 29 121.121 121.121 121.506 -0.385 19288 4980 1 12 . 1 1 29 29 LEU HA H 29 3.177 3.177 3.860 -0.683 19288 4981 1 12 . 1 1 29 29 LEU C C 29 176.205 176.205 176.437 -0.232 19288 4982 1 12 . 1 1 29 29 LEU CA C 29 57.893 57.893 55.176 2.717 19288 4983 1 12 . 1 1 29 29 LEU H H 29 7.300 7.300 8.609 -1.309 19288 4984 1 12 . 1 1 30 30 ALA N N 30 122.058 122.058 124.466 -2.408 19288 4985 1 12 . 1 1 30 30 ALA HA H 30 3.917 3.917 4.275 -0.358 19288 4986 1 12 . 1 1 30 30 ALA C C 30 178.363 178.363 177.026 1.337 19288 4987 1 12 . 1 1 30 30 ALA CA C 30 55.487 55.487 51.868 3.619 19288 4988 1 12 . 1 1 30 30 ALA CB C 30 17.947 17.947 17.323 0.624 19288 4989 1 12 . 1 1 30 30 ALA H H 30 7.987 7.987 8.198 -0.211 19288 4990 1 12 . 1 1 31 31 VAL N N 31 116.442 116.442 120.218 -3.776 19288 4991 1 12 . 1 1 31 31 VAL HA H 31 3.556 3.556 4.350 -0.794 19288 4992 1 12 . 1 1 31 31 VAL C C 31 176.352 176.352 173.090 3.262 19288 4993 1 12 . 1 1 31 31 VAL CA C 31 65.936 65.936 60.240 5.696 19288 4994 1 12 . 1 1 31 31 VAL CB C 31 32.281 32.281 30.503 1.778 19288 4995 1 12 . 1 1 31 31 VAL H H 31 7.636 7.636 7.652 -0.016 19288 4996 1 12 . 1 1 32 32 HIS HA H 32 4.125 4.125 4.395 -0.270 19288 4997 1 12 . 1 1 32 32 HIS C C 32 180.696 180.696 174.422 6.274 19288 4998 1 12 . 1 1 32 32 HIS CA C 32 59.377 59.377 55.635 3.742 19288 4999 1 12 . 1 1 32 32 HIS CB C 32 28.332 28.332 30.038 -1.706 19288 5000 1 12 . 1 1 33 33 ARG N N 33 115.795 115.795 119.965 -4.170 19288 5001 1 12 . 1 1 33 33 ARG HA H 33 3.658 3.658 4.294 -0.636 19288 5002 1 12 . 1 1 33 33 ARG C C 33 178.735 178.735 176.093 2.642 19288 5003 1 12 . 1 1 33 33 ARG CA C 33 60.012 60.012 56.507 3.505 19288 5004 1 12 . 1 1 33 33 ARG CB C 33 31.144 31.144 30.017 1.127 19288 5005 1 12 . 1 1 33 33 ARG H H 33 8.633 8.633 8.122 0.511 19288 5006 1 12 . 1 1 34 34 MET N N 34 115.672 115.672 121.409 -5.737 19288 5007 1 12 . 1 1 34 34 MET HA H 34 4.211 4.211 5.043 -0.832 19288 5008 1 12 . 1 1 34 34 MET C C 34 176.427 176.427 175.495 0.932 19288 5009 1 12 . 1 1 34 34 MET CA C 34 57.866 57.866 53.688 4.178 19288 5010 1 12 . 1 1 34 34 MET CB C 34 32.221 32.221 35.697 -3.477 19288 5011 1 12 . 1 1 34 34 MET H H 34 7.057 7.057 8.026 -0.969 19288 5012 1 12 . 1 1 35 35 ILE N N 35 116.381 116.381 128.764 -12.383 19288 5013 1 12 . 1 1 35 35 ILE HA H 35 3.904 3.904 4.137 -0.233 19288 5014 1 12 . 1 1 35 35 ILE C C 35 177.504 177.504 174.963 2.541 19288 5015 1 12 . 1 1 35 35 ILE CA C 35 63.402 63.402 61.765 1.637 19288 5016 1 12 . 1 1 35 35 ILE CB C 35 37.724 37.724 37.930 -0.206 19288 5017 1 12 . 1 1 35 35 ILE H H 35 7.811 7.811 8.809 -0.998 19288 5018 1 12 . 1 1 36 36 HIS N N 36 117.423 117.423 127.775 -10.352 19288 5019 1 12 . 1 1 36 36 HIS HA H 36 4.481 4.481 4.696 -0.215 19288 5020 1 12 . 1 1 36 36 HIS C C 36 178.413 178.413 173.715 4.698 19288 5021 1 12 . 1 1 36 36 HIS CA C 36 55.260 55.260 55.547 -0.287 19288 5022 1 12 . 1 1 36 36 HIS CB C 36 28.066 28.066 29.836 -1.770 19288 5023 1 12 . 1 1 36 36 HIS H H 36 7.247 7.247 8.687 -1.440 19288 5024 1 12 . 1 1 37 37 THR N N 37 110.804 110.804 117.413 -6.609 19288 5025 1 12 . 1 1 37 37 THR HA H 37 4.160 4.160 4.379 -0.219 19288 5026 1 12 . 1 1 37 37 THR C C 37 177.179 177.179 174.134 3.045 19288 5027 1 12 . 1 1 37 37 THR CA C 37 62.791 62.791 62.664 0.127 19288 5028 1 12 . 1 1 37 37 THR CB C 37 69.712 69.712 71.786 -2.074 19288 5029 1 12 . 1 1 37 37 THR H H 37 7.553 7.553 7.575 -0.022 19288 5030 1 12 . 1 1 38 38 GLY N N 38 110.842 110.842 110.790 0.052 19288 5031 1 12 . 1 1 38 38 GLY C C 38 175.821 175.821 175.268 0.553 19288 5032 1 12 . 1 1 38 38 GLY CA C 38 45.403 45.403 42.923 2.479 19288 5033 1 12 . 1 1 38 38 GLY H H 38 8.195 8.195 7.514 0.681 19288 5034 1 12 . 1 1 39 39 GLU N N 39 120.441 120.441 124.416 -3.975 19288 5035 1 12 . 1 1 39 39 GLU HA H 39 4.238 4.238 4.289 -0.051 19288 5036 1 12 . 1 1 39 39 GLU C C 39 175.390 175.390 175.281 0.109 19288 5037 1 12 . 1 1 39 39 GLU CA C 39 56.572 56.572 57.353 -0.782 19288 5038 1 12 . 1 1 39 39 GLU H H 39 7.953 7.953 8.550 -0.597 19288 5039 1 12 . 1 1 40 40 LYS N N 40 123.624 123.624 126.940 -3.316 19288 5040 1 12 . 1 1 40 40 LYS HA H 40 4.534 4.534 4.544 -0.010 19288 5041 1 12 . 1 1 40 40 LYS C C 40 174.124 174.124 173.934 0.190 19288 5042 1 12 . 1 1 40 40 LYS CA C 40 54.236 54.236 55.404 -1.168 19288 5043 1 12 . 1 1 40 40 LYS CB C 40 32.769 32.769 35.904 -3.135 19288 5044 1 12 . 1 1 40 40 LYS H H 40 8.321 8.321 7.574 0.747 19288 5045 1 12 . 1 1 41 41 PRO HA H 41 4.404 4.404 5.101 -0.697 19288 5046 1 12 . 1 1 41 41 PRO C C 41 176.103 176.103 176.012 0.091 19288 5047 1 12 . 1 1 41 41 PRO CA C 41 63.174 63.174 62.526 0.648 19288 5048 1 12 . 1 1 41 41 PRO CB C 41 32.306 32.306 32.438 -0.132 19288 5049 1 12 . 1 1 42 42 LEU N N 42 122.177 122.177 126.800 -4.623 19288 5050 1 12 . 1 1 42 42 LEU HA H 42 4.381 4.381 4.516 -0.135 19288 5051 1 12 . 1 1 42 42 LEU CA C 42 54.626 54.626 53.000 1.626 19288 5052 1 12 . 1 1 42 42 LEU CB C 42 42.719 42.719 45.491 -2.772 19288 5053 1 12 . 1 1 42 42 LEU H H 42 8.293 8.293 8.534 -0.241 19288 5054 1 12 . 1 1 43 43 GLN N N 43 119.188 119.188 120.651 -1.463 19288 5055 1 12 . 1 1 43 43 GLN HA H 43 5.181 5.181 4.045 1.136 19288 5056 1 12 . 1 1 43 43 GLN C C 43 176.325 176.325 175.607 0.718 19288 5057 1 12 . 1 1 43 43 GLN CA C 43 53.898 53.898 57.757 -3.859 19288 5058 1 12 . 1 1 43 43 GLN CB C 43 32.969 32.969 28.812 4.157 19288 5059 1 12 . 1 1 43 43 GLN H H 43 8.180 8.180 8.518 -0.338 19288 5060 1 12 . 1 1 44 44 CYS N N 44 127.346 127.346 116.824 10.522 19288 5061 1 12 . 1 1 44 44 CYS HA H 44 4.453 4.453 4.606 -0.153 19288 5062 1 12 . 1 1 44 44 CYS C C 44 175.677 175.677 174.700 0.977 19288 5063 1 12 . 1 1 44 44 CYS CA C 44 59.437 59.437 57.786 1.651 19288 5064 1 12 . 1 1 44 44 CYS CB C 44 30.721 30.721 28.668 2.053 19288 5065 1 12 . 1 1 44 44 CYS H H 44 9.299 9.299 7.773 1.526 19288 5066 1 12 . 1 1 45 45 GLU N N 45 131.846 131.846 126.486 5.360 19288 5067 1 12 . 1 1 45 45 GLU HA H 45 4.178 4.178 3.990 0.188 19288 5068 1 12 . 1 1 45 45 GLU C C 45 174.655 174.655 177.917 -3.262 19288 5069 1 12 . 1 1 45 45 GLU CA C 45 58.342 58.342 59.252 -0.910 19288 5070 1 12 . 1 1 45 45 GLU CB C 45 29.819 29.819 29.598 0.221 19288 5071 1 12 . 1 1 45 45 GLU H H 45 9.602 9.602 9.118 0.484 19288 5072 1 12 . 1 1 46 46 ILE N N 46 121.898 121.898 118.981 2.917 19288 5073 1 12 . 1 1 46 46 ILE HA H 46 3.840 3.840 4.070 -0.230 19288 5074 1 12 . 1 1 46 46 ILE C C 46 177.404 177.404 178.427 -1.023 19288 5075 1 12 . 1 1 46 46 ILE CA C 46 63.494 63.494 64.275 -0.781 19288 5076 1 12 . 1 1 46 46 ILE CB C 46 38.461 38.461 37.146 1.315 19288 5077 1 12 . 1 1 46 46 ILE H H 46 8.973 8.973 8.541 0.432 19288 5078 1 12 . 1 1 47 47 CYS N N 47 117.274 117.274 118.095 -0.821 19288 5079 1 12 . 1 1 47 47 CYS HA H 47 5.231 5.231 4.344 0.887 19288 5080 1 12 . 1 1 47 47 CYS C C 47 176.087 176.087 176.973 -0.886 19288 5081 1 12 . 1 1 47 47 CYS CA C 47 58.455 58.455 62.461 -4.006 19288 5082 1 12 . 1 1 47 47 CYS CB C 47 33.590 33.590 27.581 6.009 19288 5083 1 12 . 1 1 47 47 CYS H H 47 8.432 8.432 7.718 0.714 19288 5084 1 12 . 1 1 48 48 GLY N N 48 112.655 112.655 110.075 2.580 19288 5085 1 12 . 1 1 48 48 GLY C C 48 177.177 177.177 176.850 0.327 19288 5086 1 12 . 1 1 48 48 GLY CA C 48 46.253 46.253 47.899 -1.646 19288 5087 1 12 . 1 1 48 48 GLY H H 48 8.016 8.016 7.483 0.533 19288 5088 1 12 . 1 1 49 49 PHE N N 49 125.000 125.000 120.643 4.357 19288 5089 1 12 . 1 1 49 49 PHE HA H 49 4.272 4.272 4.209 0.063 19288 5090 1 12 . 1 1 49 49 PHE C C 49 176.313 176.313 178.132 -1.819 19288 5091 1 12 . 1 1 49 49 PHE CA C 49 59.750 59.750 61.676 -1.926 19288 5092 1 12 . 1 1 49 49 PHE CB C 49 41.278 41.278 38.626 2.652 19288 5093 1 12 . 1 1 49 49 PHE H H 49 8.333 8.333 8.526 -0.193 19288 5094 1 12 . 1 1 50 50 THR N N 50 118.297 118.297 112.637 5.660 19288 5095 1 12 . 1 1 50 50 THR HA H 50 5.150 5.150 4.261 0.889 19288 5096 1 12 . 1 1 50 50 THR C C 50 173.480 173.480 176.836 -3.356 19288 5097 1 12 . 1 1 50 50 THR CA C 50 59.186 59.186 65.008 -5.822 19288 5098 1 12 . 1 1 50 50 THR CB C 50 71.954 71.954 68.501 3.453 19288 5099 1 12 . 1 1 50 50 THR H H 50 7.336 7.336 7.965 -0.629 19288 5100 1 12 . 1 1 51 51 CYS N N 51 115.101 115.101 120.117 -5.016 19288 5101 1 12 . 1 1 51 51 CYS HA H 51 4.540 4.540 3.882 0.658 19288 5102 1 12 . 1 1 51 51 CYS C C 51 173.381 173.381 177.315 -3.934 19288 5103 1 12 . 1 1 51 51 CYS CA C 51 56.305 56.305 62.937 -6.632 19288 5104 1 12 . 1 1 51 51 CYS CB C 51 30.578 30.578 27.933 2.645 19288 5105 1 12 . 1 1 51 51 CYS H H 51 8.318 8.318 7.753 0.565 19288 5106 1 12 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.180 0.386 19288 5107 1 12 . 1 1 52 52 ARG C C 52 172.494 172.494 178.106 -5.612 19288 5108 1 12 . 1 1 52 52 ARG CA C 52 56.923 56.923 59.549 -2.626 19288 5109 1 12 . 1 1 52 52 ARG CB C 52 31.891 31.891 30.729 1.162 19288 5110 1 12 . 1 1 53 53 GLN N N 53 115.534 115.534 117.964 -2.430 19288 5111 1 12 . 1 1 53 53 GLN HA H 53 4.719 4.719 4.014 0.705 19288 5112 1 12 . 1 1 53 53 GLN CA C 53 54.637 54.637 58.358 -3.721 19288 5113 1 12 . 1 1 53 53 GLN CB C 53 30.904 30.904 28.125 2.779 19288 5114 1 12 . 1 1 53 53 GLN H H 53 7.649 7.649 7.570 0.079 19288 5115 1 12 . 1 1 54 54 LYS N N 54 127.065 127.065 115.826 11.239 19288 5116 1 12 . 1 1 54 54 LYS HA H 54 3.771 3.771 4.044 -0.273 19288 5117 1 12 . 1 1 54 54 LYS C C 54 176.035 176.035 178.589 -2.554 19288 5118 1 12 . 1 1 54 54 LYS CA C 54 59.833 59.833 58.437 1.396 19288 5119 1 12 . 1 1 54 54 LYS CB C 54 32.087 32.087 32.045 0.042 19288 5120 1 12 . 1 1 54 54 LYS H H 54 9.132 9.132 7.194 1.938 19288 5121 1 12 . 1 1 55 55 ALA N N 55 120.230 120.230 121.006 -0.776 19288 5122 1 12 . 1 1 55 55 ALA HA H 55 4.135 4.135 4.335 -0.200 19288 5123 1 12 . 1 1 55 55 ALA C C 55 176.728 176.728 179.089 -2.361 19288 5124 1 12 . 1 1 55 55 ALA CA C 55 55.456 55.456 53.014 2.442 19288 5125 1 12 . 1 1 55 55 ALA CB C 55 18.224 18.224 18.410 -0.186 19288 5126 1 12 . 1 1 55 55 ALA H H 55 9.016 9.016 7.380 1.636 19288 5127 1 12 . 1 1 56 56 SER N N 56 112.225 112.225 115.707 -3.482 19288 5128 1 12 . 1 1 56 56 SER HA H 56 4.509 4.509 4.276 0.233 19288 5129 1 12 . 1 1 56 56 SER C C 56 178.309 178.309 175.508 2.801 19288 5130 1 12 . 1 1 56 56 SER CA C 56 61.172 61.172 60.710 0.462 19288 5131 1 12 . 1 1 56 56 SER CB C 56 62.925 62.925 63.181 -0.257 19288 5132 1 12 . 1 1 56 56 SER H H 56 7.097 7.097 7.716 -0.619 19288 5133 1 12 . 1 1 57 57 LEU N N 57 126.317 126.317 119.654 6.663 19288 5134 1 12 . 1 1 57 57 LEU HA H 57 4.327 4.327 4.147 0.180 19288 5135 1 12 . 1 1 57 57 LEU C C 57 180.642 180.642 178.250 2.392 19288 5136 1 12 . 1 1 57 57 LEU CA C 57 58.038 58.038 57.205 0.833 19288 5137 1 12 . 1 1 57 57 LEU CB C 57 41.443 41.443 41.861 -0.418 19288 5138 1 12 . 1 1 57 57 LEU H H 57 7.667 7.667 7.614 0.053 19288 5139 1 12 . 1 1 58 58 ASN N N 58 118.325 118.325 116.149 2.176 19288 5140 1 12 . 1 1 58 58 ASN HA H 58 4.364 4.364 5.001 -0.637 19288 5141 1 12 . 1 1 58 58 ASN C C 58 176.770 176.770 175.696 1.074 19288 5142 1 12 . 1 1 58 58 ASN CA C 58 56.457 56.457 52.025 4.432 19288 5143 1 12 . 1 1 58 58 ASN CB C 58 37.852 37.852 37.526 0.326 19288 5144 1 12 . 1 1 58 58 ASN H H 58 8.533 8.533 8.010 0.523 19288 5145 1 12 . 1 1 59 59 TRP N N 59 119.802 119.802 122.793 -2.991 19288 5146 1 12 . 1 1 59 59 TRP HA H 59 4.349 4.349 4.739 -0.390 19288 5147 1 12 . 1 1 59 59 TRP C C 59 178.160 178.160 177.405 0.755 19288 5148 1 12 . 1 1 59 59 TRP CA C 59 60.432 60.432 58.884 1.548 19288 5149 1 12 . 1 1 59 59 TRP CB C 59 29.304 29.304 29.640 -0.336 19288 5150 1 12 . 1 1 59 59 TRP H H 59 7.914 7.914 7.681 0.233 19288 5151 1 12 . 1 1 60 60 HIS N N 60 119.175 119.175 120.524 -1.349 19288 5152 1 12 . 1 1 60 60 HIS HA H 60 3.675 3.675 4.369 -0.694 19288 5153 1 12 . 1 1 60 60 HIS C C 60 174.721 174.721 174.892 -0.171 19288 5154 1 12 . 1 1 60 60 HIS CA C 60 60.038 60.038 55.777 4.261 19288 5155 1 12 . 1 1 60 60 HIS CB C 60 28.143 28.143 29.787 -1.644 19288 5156 1 12 . 1 1 60 60 HIS H H 60 8.131 8.131 8.344 -0.213 19288 5157 1 12 . 1 1 61 61 MET N N 61 114.602 114.602 117.254 -2.652 19288 5158 1 12 . 1 1 61 61 MET HA H 61 4.127 4.127 4.000 0.127 19288 5159 1 12 . 1 1 61 61 MET C C 61 178.337 178.337 177.004 1.333 19288 5160 1 12 . 1 1 61 61 MET CA C 61 57.177 57.177 55.486 1.691 19288 5161 1 12 . 1 1 61 61 MET CB C 61 30.085 30.085 31.925 -1.840 19288 5162 1 12 . 1 1 61 61 MET H H 61 8.448 8.448 7.735 0.713 19288 5163 1 12 . 1 1 62 62 LYS N N 62 118.858 118.858 117.455 1.403 19288 5164 1 12 . 1 1 62 62 LYS HA H 62 3.998 3.998 3.325 0.673 19288 5165 1 12 . 1 1 62 62 LYS C C 62 176.716 176.716 176.034 0.682 19288 5166 1 12 . 1 1 62 62 LYS CA C 62 58.512 58.512 58.563 -0.051 19288 5167 1 12 . 1 1 62 62 LYS CB C 62 31.694 31.694 31.436 0.258 19288 5168 1 12 . 1 1 62 62 LYS H H 62 7.285 7.285 7.452 -0.167 19288 5169 1 12 . 1 1 63 63 LYS N N 63 117.683 117.683 115.956 1.727 19288 5170 1 12 . 1 1 63 63 LYS HA H 63 3.793 3.793 4.551 -0.758 19288 5171 1 12 . 1 1 63 63 LYS C C 63 179.150 179.150 174.772 4.378 19288 5172 1 12 . 1 1 63 63 LYS CA C 63 57.827 57.827 54.539 3.288 19288 5173 1 12 . 1 1 63 63 LYS CB C 63 31.272 31.272 37.210 -5.938 19288 5174 1 12 . 1 1 63 63 LYS H H 63 7.516 7.516 7.554 -0.038 19288 5175 1 12 . 1 1 64 64 HIS N N 64 115.200 115.200 119.515 -4.315 19288 5176 1 12 . 1 1 64 64 HIS HA H 64 4.708 4.708 4.878 -0.170 19288 5177 1 12 . 1 1 64 64 HIS C C 64 178.727 178.727 173.425 5.302 19288 5178 1 12 . 1 1 64 64 HIS CA C 64 55.628 55.628 54.958 0.670 19288 5179 1 12 . 1 1 64 64 HIS CB C 64 28.782 28.782 31.934 -3.152 19288 5180 1 12 . 1 1 64 64 HIS H H 64 7.155 7.155 8.540 -1.385 19288 5181 1 12 . 1 1 65 65 ASP N N 65 120.441 120.441 124.455 -4.014 19288 5182 1 12 . 1 1 65 65 ASP HA H 65 4.503 4.503 4.922 -0.419 19288 5183 1 12 . 1 1 65 65 ASP C C 65 177.648 177.648 177.429 0.219 19288 5184 1 12 . 1 1 65 65 ASP CA C 65 55.296 55.296 53.001 2.295 19288 5185 1 12 . 1 1 65 65 ASP CB C 65 41.122 41.122 42.822 -1.700 19288 5186 1 12 . 1 1 65 65 ASP H H 65 7.653 7.653 9.059 -1.406 19288 5187 1 12 . 1 1 66 66 ALA N N 66 123.184 123.184 129.910 -6.726 19288 5188 1 12 . 1 1 66 66 ALA HA H 66 4.141 4.141 4.131 0.010 19288 5189 1 12 . 1 1 66 66 ALA C C 66 175.172 175.172 179.065 -3.893 19288 5190 1 12 . 1 1 66 66 ALA CA C 66 53.693 53.693 55.192 -1.499 19288 5191 1 12 . 1 1 66 66 ALA CB C 66 19.049 19.049 19.201 -0.152 19288 5192 1 12 . 1 1 66 66 ALA H H 66 8.088 8.088 8.644 -0.556 19288 5193 1 12 . 1 1 67 67 ASP N N 67 117.608 117.608 119.460 -1.852 19288 5194 1 12 . 1 1 67 67 ASP HA H 67 4.175 4.175 4.465 -0.290 19288 5195 1 12 . 1 1 67 67 ASP C C 67 176.687 176.687 176.326 0.361 19288 5196 1 12 . 1 1 67 67 ASP CA C 67 54.842 54.842 55.143 -0.301 19288 5197 1 12 . 1 1 67 67 ASP CB C 67 40.957 40.957 41.220 -0.263 19288 5198 1 12 . 1 1 67 67 ASP H H 67 7.999 7.999 8.304 -0.305 19288 5199 1 12 . 1 1 68 68 SER N N 68 114.794 114.794 112.775 2.019 19288 5200 1 12 . 1 1 68 68 SER HA H 68 4.145 4.145 4.796 -0.651 19288 5201 1 12 . 1 1 68 68 SER C C 68 178.056 178.056 174.463 3.593 19288 5202 1 12 . 1 1 68 68 SER CA C 68 59.397 59.397 56.339 3.058 19288 5203 1 12 . 1 1 68 68 SER CB C 68 63.682 63.682 65.230 -1.548 19288 5204 1 12 . 1 1 68 68 SER H H 68 7.797 7.797 7.799 -0.002 19288 5205 1 12 . 1 1 69 69 PHE N N 69 120.277 120.277 121.724 -1.447 19288 5206 1 12 . 1 1 69 69 PHE HA H 69 4.474 4.474 4.559 -0.085 19288 5207 1 12 . 1 1 69 69 PHE C C 69 176.959 176.959 174.787 2.172 19288 5208 1 12 . 1 1 69 69 PHE CA C 69 58.048 58.048 57.824 0.224 19288 5209 1 12 . 1 1 69 69 PHE H H 69 7.850 7.850 8.477 -0.627 19288 5210 1 12 . 1 1 70 70 TYR N N 70 121.023 121.023 121.177 -0.154 19288 5211 1 12 . 1 1 70 70 TYR HA H 70 4.494 4.494 3.915 0.579 19288 5212 1 12 . 1 1 70 70 TYR C C 70 174.330 174.330 174.910 -0.580 19288 5213 1 12 . 1 1 70 70 TYR CA C 70 56.491 56.491 57.289 -0.798 19288 5214 1 12 . 1 1 70 70 TYR CB C 70 37.727 37.727 39.295 -1.568 19288 5215 1 12 . 1 1 70 70 TYR H H 70 7.818 7.818 8.113 -0.295 19288 5216 1 12 . 1 1 71 71 GLN N N 71 119.046 119.046 117.911 1.135 19288 5217 1 12 . 1 1 71 71 GLN HA H 71 4.085 4.085 3.811 0.274 19288 5218 1 12 . 1 1 71 71 GLN C C 71 175.830 175.830 173.706 2.124 19288 5219 1 12 . 1 1 71 71 GLN CA C 71 56.485 56.485 56.226 0.259 19288 5220 1 12 . 1 1 71 71 GLN CB C 71 30.291 30.291 26.233 4.058 19288 5221 1 12 . 1 1 71 71 GLN H H 71 8.352 8.352 8.083 0.269 19288 5222 1 12 . 1 1 72 72 PHE N N 72 117.779 117.779 117.337 0.442 19288 5223 1 12 . 1 1 72 72 PHE HA H 72 4.850 4.850 4.608 0.242 19288 5224 1 12 . 1 1 72 72 PHE C C 72 176.323 176.323 176.033 0.290 19288 5225 1 12 . 1 1 72 72 PHE CA C 72 57.157 57.157 56.035 1.122 19288 5226 1 12 . 1 1 72 72 PHE CB C 72 41.106 41.106 41.916 -0.810 19288 5227 1 12 . 1 1 72 72 PHE H H 72 7.901 7.901 7.765 0.136 19288 5228 1 12 . 1 1 73 73 SER N N 73 114.707 114.707 117.084 -2.377 19288 5229 1 12 . 1 1 73 73 SER HA H 73 5.469 5.469 4.242 1.227 19288 5230 1 12 . 1 1 73 73 SER C C 73 175.151 175.151 174.031 1.120 19288 5231 1 12 . 1 1 73 73 SER CA C 73 57.026 57.026 59.708 -2.682 19288 5232 1 12 . 1 1 73 73 SER CB C 73 65.963 65.963 63.333 2.630 19288 5233 1 12 . 1 1 73 73 SER H H 73 8.744 8.744 8.783 -0.039 19288 5234 1 12 . 1 1 74 74 CYS N N 74 124.143 124.143 116.055 8.088 19288 5235 1 12 . 1 1 74 74 CYS HA H 74 4.391 4.391 4.765 -0.374 19288 5236 1 12 . 1 1 74 74 CYS C C 74 174.848 174.848 174.726 0.122 19288 5237 1 12 . 1 1 74 74 CYS CA C 74 59.743 59.743 57.562 2.181 19288 5238 1 12 . 1 1 74 74 CYS CB C 74 30.581 30.581 29.982 0.599 19288 5239 1 12 . 1 1 74 74 CYS H H 74 9.154 9.154 7.697 1.457 19288 5240 1 12 . 1 1 75 75 ASN HA H 75 4.501 4.501 4.097 0.404 19288 5241 1 12 . 1 1 75 75 ASN C C 75 173.664 173.664 176.877 -3.213 19288 5242 1 12 . 1 1 75 75 ASN CA C 75 55.316 55.316 55.959 -0.643 19288 5243 1 12 . 1 1 75 75 ASN CB C 75 36.774 36.774 38.041 -1.267 19288 5244 1 12 . 1 1 76 76 ILE N N 76 123.143 123.143 118.989 4.154 19288 5245 1 12 . 1 1 76 76 ILE HA H 76 3.908 3.908 3.897 0.011 19288 5246 1 12 . 1 1 76 76 ILE CA C 76 63.223 63.223 64.456 -1.233 19288 5247 1 12 . 1 1 76 76 ILE CB C 76 38.269 38.269 37.687 0.582 19288 5248 1 12 . 1 1 76 76 ILE H H 76 8.921 8.921 8.140 0.781 19288 5249 1 12 . 1 1 77 77 CYS N N 77 116.298 116.298 117.841 -1.543 19288 5250 1 12 . 1 1 77 77 CYS HA H 77 5.159 5.159 4.086 1.073 19288 5251 1 12 . 1 1 77 77 CYS C C 77 174.401 174.401 176.649 -2.248 19288 5252 1 12 . 1 1 77 77 CYS CA C 77 58.394 58.394 61.033 -2.639 19288 5253 1 12 . 1 1 77 77 CYS CB C 77 32.743 32.743 27.318 5.425 19288 5254 1 12 . 1 1 77 77 CYS H H 77 8.243 8.243 7.413 0.830 19288 5255 1 12 . 1 1 78 78 GLY N N 78 113.607 113.607 110.699 2.908 19288 5256 1 12 . 1 1 78 78 GLY C C 78 176.862 176.862 176.329 0.533 19288 5257 1 12 . 1 1 78 78 GLY CA C 78 46.321 46.321 48.498 -2.177 19288 5258 1 12 . 1 1 78 78 GLY H H 78 8.060 8.060 7.270 0.790 19288 5259 1 12 . 1 1 79 79 LYS N N 79 123.134 123.134 119.837 3.297 19288 5260 1 12 . 1 1 79 79 LYS HA H 79 3.950 3.950 3.752 0.198 19288 5261 1 12 . 1 1 79 79 LYS C C 79 176.484 176.484 178.010 -1.526 19288 5262 1 12 . 1 1 79 79 LYS CA C 79 58.342 58.342 60.387 -2.045 19288 5263 1 12 . 1 1 79 79 LYS CB C 79 33.770 33.770 31.574 2.196 19288 5264 1 12 . 1 1 79 79 LYS H H 79 7.977 7.977 7.861 0.116 19288 5265 1 12 . 1 1 80 80 LYS N N 80 121.440 121.440 118.959 2.481 19288 5266 1 12 . 1 1 80 80 LYS HA H 80 4.884 4.884 4.012 0.872 19288 5267 1 12 . 1 1 80 80 LYS C C 80 173.961 173.961 178.229 -4.268 19288 5268 1 12 . 1 1 80 80 LYS CA C 80 55.524 55.524 59.170 -3.646 19288 5269 1 12 . 1 1 80 80 LYS CB C 80 35.024 35.024 31.583 3.441 19288 5270 1 12 . 1 1 80 80 LYS H H 80 7.918 7.918 7.422 0.496 19288 5271 1 12 . 1 1 81 81 PHE N N 81 116.724 116.724 120.059 -3.335 19288 5272 1 12 . 1 1 81 81 PHE HA H 81 4.598 4.598 4.328 0.270 19288 5273 1 12 . 1 1 81 81 PHE C C 81 174.541 174.541 177.951 -3.410 19288 5274 1 12 . 1 1 81 81 PHE CA C 81 57.359 57.359 61.738 -4.379 19288 5275 1 12 . 1 1 81 81 PHE CB C 81 44.738 44.738 39.374 5.364 19288 5276 1 12 . 1 1 81 81 PHE H H 81 8.725 8.725 7.692 1.033 19288 5277 1 12 . 1 1 82 82 GLU N N 82 120.474 120.474 119.897 0.577 19288 5278 1 12 . 1 1 82 82 GLU HA H 82 4.155 4.155 4.305 -0.150 19288 5279 1 12 . 1 1 82 82 GLU C C 82 175.832 175.832 178.866 -3.034 19288 5280 1 12 . 1 1 82 82 GLU CA C 82 57.900 57.900 59.172 -1.272 19288 5281 1 12 . 1 1 82 82 GLU CB C 82 30.829 30.829 29.455 1.374 19288 5282 1 12 . 1 1 82 82 GLU H H 82 8.775 8.775 8.570 0.205 19288 5283 1 12 . 1 1 83 83 LYS N N 83 114.607 114.607 117.034 -2.427 19288 5284 1 12 . 1 1 83 83 LYS HA H 83 4.607 4.607 4.161 0.446 19288 5285 1 12 . 1 1 83 83 LYS C C 83 174.585 174.585 177.202 -2.617 19288 5286 1 12 . 1 1 83 83 LYS CA C 83 54.369 54.369 58.819 -4.450 19288 5287 1 12 . 1 1 83 83 LYS CB C 83 35.540 35.540 32.139 3.401 19288 5288 1 12 . 1 1 83 83 LYS H H 83 7.547 7.547 7.900 -0.353 19288 5289 1 12 . 1 1 84 84 LYS N N 84 124.921 124.921 116.577 8.344 19288 5290 1 12 . 1 1 84 84 LYS HA H 84 3.073 3.073 4.379 -1.306 19288 5291 1 12 . 1 1 84 84 LYS C C 84 176.545 176.545 178.029 -1.484 19288 5292 1 12 . 1 1 84 84 LYS CA C 84 59.680 59.680 57.260 2.420 19288 5293 1 12 . 1 1 84 84 LYS CB C 84 31.920 31.920 32.781 -0.861 19288 5294 1 12 . 1 1 84 84 LYS H H 84 8.162 8.162 7.304 0.858 19288 5295 1 12 . 1 1 85 85 ASP N N 85 116.468 116.468 118.228 -1.760 19288 5296 1 12 . 1 1 85 85 ASP HA H 85 4.192 4.192 4.430 -0.238 19288 5297 1 12 . 1 1 85 85 ASP C C 85 176.385 176.385 175.521 0.864 19288 5298 1 12 . 1 1 85 85 ASP CA C 85 56.789 56.789 55.144 1.645 19288 5299 1 12 . 1 1 85 85 ASP CB C 85 39.780 39.780 41.287 -1.507 19288 5300 1 12 . 1 1 85 85 ASP H H 85 8.682 8.682 8.054 0.628 19288 5301 1 12 . 1 1 86 86 SER N N 86 114.601 114.601 116.384 -1.783 19288 5302 1 12 . 1 1 86 86 SER HA H 86 4.183 4.183 4.834 -0.651 19288 5303 1 12 . 1 1 86 86 SER C C 86 179.169 179.169 172.328 6.841 19288 5304 1 12 . 1 1 86 86 SER CA C 86 60.939 60.939 55.108 5.831 19288 5305 1 12 . 1 1 86 86 SER CB C 86 62.823 62.823 64.517 -1.694 19288 5306 1 12 . 1 1 86 86 SER H H 86 7.200 7.200 7.721 -0.521 19288 5307 1 12 . 1 1 87 87 VAL HA H 87 2.698 2.698 4.317 -1.619 19288 5308 1 12 . 1 1 87 87 VAL C C 87 178.806 178.806 174.842 3.964 19288 5309 1 12 . 1 1 87 87 VAL CA C 87 66.028 66.028 62.193 3.835 19288 5310 1 12 . 1 1 87 87 VAL CB C 87 31.461 31.461 30.390 1.071 19288 5311 1 12 . 1 1 88 88 VAL N N 88 120.424 120.424 122.277 -1.853 19288 5312 1 12 . 1 1 88 88 VAL HA H 88 3.485 3.485 4.379 -0.894 19288 5313 1 12 . 1 1 88 88 VAL C C 88 176.208 176.208 174.457 1.751 19288 5314 1 12 . 1 1 88 88 VAL CA C 88 66.735 66.735 61.551 5.184 19288 5315 1 12 . 1 1 88 88 VAL CB C 88 31.948 31.948 34.049 -2.101 19288 5316 1 12 . 1 1 88 88 VAL H H 88 7.190 7.190 7.709 -0.519 19288 5317 1 13 . 1 1 10 10 HIS HA H 10 4.620 4.620 4.846 -0.226 19288 5318 1 13 . 1 1 10 10 HIS CA C 10 56.302 56.302 54.416 1.886 19288 5319 1 13 . 1 1 10 10 HIS CB C 10 30.312 30.312 31.508 -1.196 19288 5320 1 13 . 1 1 11 11 MET N N 11 121.464 121.464 124.079 -2.615 19288 5321 1 13 . 1 1 11 11 MET HA H 11 4.387 4.387 4.786 -0.399 19288 5322 1 13 . 1 1 11 11 MET CA C 11 55.835 55.835 55.322 0.513 19288 5323 1 13 . 1 1 11 11 MET CB C 11 32.794 32.794 34.865 -2.071 19288 5324 1 13 . 1 1 11 11 MET H H 11 8.178 8.178 8.095 0.083 19288 5325 1 13 . 1 1 12 12 ARG N N 12 121.614 121.614 122.465 -0.851 19288 5326 1 13 . 1 1 12 12 ARG HA H 12 4.244 4.244 4.276 -0.032 19288 5327 1 13 . 1 1 12 12 ARG CA C 12 55.802 55.802 57.812 -2.010 19288 5328 1 13 . 1 1 12 12 ARG CB C 12 31.110 31.110 30.506 0.604 19288 5329 1 13 . 1 1 12 12 ARG H H 12 8.209 8.209 8.555 -0.346 19288 5330 1 13 . 1 1 13 13 ASP N N 13 119.634 119.634 118.427 1.207 19288 5331 1 13 . 1 1 13 13 ASP HA H 13 4.667 4.667 4.689 -0.022 19288 5332 1 13 . 1 1 13 13 ASP C C 13 175.723 175.723 173.965 1.758 19288 5333 1 13 . 1 1 13 13 ASP CA C 13 54.112 54.112 53.613 0.499 19288 5334 1 13 . 1 1 13 13 ASP CB C 13 42.459 42.459 42.262 0.197 19288 5335 1 13 . 1 1 13 13 ASP H H 13 7.858 7.858 7.695 0.163 19288 5336 1 13 . 1 1 14 14 TYR N N 14 120.932 120.932 118.291 2.641 19288 5337 1 13 . 1 1 14 14 TYR HA H 14 4.534 4.534 4.807 -0.273 19288 5338 1 13 . 1 1 14 14 TYR C C 14 174.767 174.767 175.361 -0.594 19288 5339 1 13 . 1 1 14 14 TYR CA C 14 57.521 57.521 57.340 0.181 19288 5340 1 13 . 1 1 14 14 TYR CB C 14 38.608 38.608 42.792 -4.184 19288 5341 1 13 . 1 1 14 14 TYR H H 14 8.676 8.676 8.271 0.405 19288 5342 1 13 . 1 1 15 15 ILE N N 15 124.585 124.585 120.491 4.094 19288 5343 1 13 . 1 1 15 15 ILE HA H 15 4.714 4.714 4.709 0.005 19288 5344 1 13 . 1 1 15 15 ILE C C 15 175.178 175.178 174.711 0.467 19288 5345 1 13 . 1 1 15 15 ILE CA C 15 59.647 59.647 60.469 -0.822 19288 5346 1 13 . 1 1 15 15 ILE CB C 15 39.969 39.969 38.817 1.152 19288 5347 1 13 . 1 1 15 15 ILE H H 15 8.479 8.479 8.537 -0.058 19288 5348 1 13 . 1 1 16 16 CYS N N 16 129.411 129.411 118.235 11.176 19288 5349 1 13 . 1 1 16 16 CYS HA H 16 4.334 4.334 4.642 -0.308 19288 5350 1 13 . 1 1 16 16 CYS C C 16 174.675 174.675 174.306 0.369 19288 5351 1 13 . 1 1 16 16 CYS CA C 16 61.303 61.303 58.076 3.227 19288 5352 1 13 . 1 1 16 16 CYS CB C 16 30.233 30.233 30.622 -0.389 19288 5353 1 13 . 1 1 16 16 CYS H H 16 9.141 9.141 7.968 1.173 19288 5354 1 13 . 1 1 17 17 GLU N N 17 133.830 133.830 126.309 7.521 19288 5355 1 13 . 1 1 17 17 GLU HA H 17 4.200 4.200 3.118 1.082 19288 5356 1 13 . 1 1 17 17 GLU C C 17 175.826 175.826 178.003 -2.177 19288 5357 1 13 . 1 1 17 17 GLU CA C 17 58.616 58.616 59.512 -0.896 19288 5358 1 13 . 1 1 17 17 GLU CB C 17 28.133 28.133 29.307 -1.174 19288 5359 1 13 . 1 1 17 17 GLU H H 17 10.744 10.744 8.798 1.946 19288 5360 1 13 . 1 1 18 18 TYR N N 18 121.850 121.850 120.709 1.141 19288 5361 1 13 . 1 1 18 18 TYR HA H 18 4.316 4.316 4.361 -0.045 19288 5362 1 13 . 1 1 18 18 TYR C C 18 176.782 176.782 177.853 -1.071 19288 5363 1 13 . 1 1 18 18 TYR CA C 18 60.371 60.371 61.291 -0.920 19288 5364 1 13 . 1 1 18 18 TYR CB C 18 37.374 37.374 38.309 -0.935 19288 5365 1 13 . 1 1 18 18 TYR H H 18 9.190 9.190 8.207 0.983 19288 5366 1 13 . 1 1 19 19 CYS N N 19 116.138 116.138 118.580 -2.442 19288 5367 1 13 . 1 1 19 19 CYS HA H 19 5.111 5.111 4.285 0.826 19288 5368 1 13 . 1 1 19 19 CYS C C 19 176.019 176.019 176.811 -0.792 19288 5369 1 13 . 1 1 19 19 CYS CA C 19 58.721 58.721 61.638 -2.917 19288 5370 1 13 . 1 1 19 19 CYS CB C 19 32.573 32.573 27.224 5.349 19288 5371 1 13 . 1 1 19 19 CYS H H 19 7.999 7.999 8.272 -0.273 19288 5372 1 13 . 1 1 20 20 ALA N N 20 122.058 122.058 122.785 -0.727 19288 5373 1 13 . 1 1 20 20 ALA HA H 20 4.140 4.140 3.530 0.610 19288 5374 1 13 . 1 1 20 20 ALA C C 20 177.014 177.014 178.292 -1.278 19288 5375 1 13 . 1 1 20 20 ALA CA C 20 54.584 54.584 55.278 -0.694 19288 5376 1 13 . 1 1 20 20 ALA CB C 20 17.127 17.127 18.539 -1.412 19288 5377 1 13 . 1 1 20 20 ALA H H 20 8.067 8.067 7.353 0.714 19288 5378 1 13 . 1 1 21 21 ARG N N 21 121.286 121.286 118.878 2.408 19288 5379 1 13 . 1 1 21 21 ARG HA H 21 4.003 4.003 4.042 -0.039 19288 5380 1 13 . 1 1 21 21 ARG C C 21 175.133 175.133 178.647 -3.514 19288 5381 1 13 . 1 1 21 21 ARG CA C 21 58.236 58.236 59.156 -0.919 19288 5382 1 13 . 1 1 21 21 ARG CB C 21 31.677 31.677 29.436 2.241 19288 5383 1 13 . 1 1 21 21 ARG H H 21 7.947 7.947 7.854 0.093 19288 5384 1 13 . 1 1 22 22 ALA N N 22 123.966 123.966 120.458 3.508 19288 5385 1 13 . 1 1 22 22 ALA HA H 22 5.008 5.008 3.906 1.102 19288 5386 1 13 . 1 1 22 22 ALA C C 22 175.750 175.750 179.314 -3.564 19288 5387 1 13 . 1 1 22 22 ALA CA C 22 50.811 50.811 55.919 -5.108 19288 5388 1 13 . 1 1 22 22 ALA CB C 22 21.928 21.928 18.337 3.591 19288 5389 1 13 . 1 1 22 22 ALA H H 22 7.968 7.968 7.862 0.106 19288 5390 1 13 . 1 1 23 23 PHE N N 23 118.728 118.728 120.312 -1.584 19288 5391 1 13 . 1 1 23 23 PHE HA H 23 4.678 4.678 4.070 0.608 19288 5392 1 13 . 1 1 23 23 PHE C C 23 173.852 173.852 177.669 -3.817 19288 5393 1 13 . 1 1 23 23 PHE CA C 23 57.367 57.367 61.528 -4.160 19288 5394 1 13 . 1 1 23 23 PHE CB C 23 43.458 43.458 39.280 4.178 19288 5395 1 13 . 1 1 23 23 PHE H H 23 9.004 9.004 7.661 1.343 19288 5396 1 13 . 1 1 24 24 LYS N N 24 119.176 119.176 116.779 2.397 19288 5397 1 13 . 1 1 24 24 LYS HA H 24 4.709 4.709 4.233 0.476 19288 5398 1 13 . 1 1 24 24 LYS C C 24 176.934 176.934 178.891 -1.957 19288 5399 1 13 . 1 1 24 24 LYS CA C 24 56.482 56.482 58.796 -2.314 19288 5400 1 13 . 1 1 24 24 LYS CB C 24 33.111 33.111 32.130 0.981 19288 5401 1 13 . 1 1 24 24 LYS H H 24 9.211 9.211 8.364 0.847 19288 5402 1 13 . 1 1 25 25 SER N N 25 110.950 110.950 116.486 -5.536 19288 5403 1 13 . 1 1 25 25 SER HA H 25 4.566 4.566 4.341 0.225 19288 5404 1 13 . 1 1 25 25 SER C C 25 175.671 175.671 175.325 0.346 19288 5405 1 13 . 1 1 25 25 SER CA C 25 55.683 55.683 58.914 -3.231 19288 5406 1 13 . 1 1 25 25 SER CB C 25 66.490 66.490 62.642 3.848 19288 5407 1 13 . 1 1 25 25 SER H H 25 7.474 7.474 7.368 0.106 19288 5408 1 13 . 1 1 26 26 SER N N 26 119.411 119.411 112.795 6.616 19288 5409 1 13 . 1 1 26 26 SER C C 26 176.269 176.269 175.722 0.547 19288 5410 1 13 . 1 1 26 26 SER CA C 26 60.616 60.616 60.102 0.513 19288 5411 1 13 . 1 1 26 26 SER CB C 26 61.758 61.758 61.186 0.572 19288 5412 1 13 . 1 1 26 26 SER H H 26 8.487 8.487 7.432 1.055 19288 5413 1 13 . 1 1 27 27 HIS HA H 27 4.258 4.258 4.416 -0.158 19288 5414 1 13 . 1 1 27 27 HIS C C 27 173.658 173.658 176.309 -2.651 19288 5415 1 13 . 1 1 27 27 HIS CA C 27 59.581 59.581 56.822 2.759 19288 5416 1 13 . 1 1 27 27 HIS CB C 27 29.913 29.913 29.336 0.577 19288 5417 1 13 . 1 1 28 28 ASN N N 28 117.126 117.126 116.566 0.560 19288 5418 1 13 . 1 1 28 28 ASN HA H 28 4.216 4.216 4.616 -0.400 19288 5419 1 13 . 1 1 28 28 ASN CA C 28 55.547 55.547 53.621 1.926 19288 5420 1 13 . 1 1 28 28 ASN CB C 28 37.634 37.634 36.823 0.811 19288 5421 1 13 . 1 1 28 28 ASN H H 28 7.681 7.681 7.700 -0.019 19288 5422 1 13 . 1 1 29 29 LEU N N 29 121.121 121.121 124.285 -3.164 19288 5423 1 13 . 1 1 29 29 LEU HA H 29 3.177 3.177 4.079 -0.902 19288 5424 1 13 . 1 1 29 29 LEU C C 29 176.205 176.205 176.738 -0.533 19288 5425 1 13 . 1 1 29 29 LEU CA C 29 57.893 57.893 54.712 3.181 19288 5426 1 13 . 1 1 29 29 LEU H H 29 7.300 7.300 8.013 -0.713 19288 5427 1 13 . 1 1 30 30 ALA N N 30 122.058 122.058 123.340 -1.282 19288 5428 1 13 . 1 1 30 30 ALA HA H 30 3.917 3.917 4.070 -0.153 19288 5429 1 13 . 1 1 30 30 ALA C C 30 178.363 178.363 177.732 0.631 19288 5430 1 13 . 1 1 30 30 ALA CA C 30 55.487 55.487 53.502 1.986 19288 5431 1 13 . 1 1 30 30 ALA CB C 30 17.947 17.947 19.404 -1.457 19288 5432 1 13 . 1 1 30 30 ALA H H 30 7.987 7.987 8.273 -0.286 19288 5433 1 13 . 1 1 31 31 VAL N N 31 116.442 116.442 117.478 -1.036 19288 5434 1 13 . 1 1 31 31 VAL HA H 31 3.556 3.556 4.534 -0.978 19288 5435 1 13 . 1 1 31 31 VAL C C 31 176.352 176.352 174.699 1.653 19288 5436 1 13 . 1 1 31 31 VAL CA C 31 65.936 65.936 59.230 6.706 19288 5437 1 13 . 1 1 31 31 VAL CB C 31 32.281 32.281 31.590 0.691 19288 5438 1 13 . 1 1 31 31 VAL H H 31 7.636 7.636 7.663 -0.027 19288 5439 1 13 . 1 1 32 32 HIS HA H 32 4.125 4.125 4.451 -0.326 19288 5440 1 13 . 1 1 32 32 HIS C C 32 180.696 180.696 174.753 5.943 19288 5441 1 13 . 1 1 32 32 HIS CA C 32 59.377 59.377 57.488 1.889 19288 5442 1 13 . 1 1 32 32 HIS CB C 32 28.332 28.332 30.129 -1.797 19288 5443 1 13 . 1 1 33 33 ARG N N 33 115.795 115.795 115.717 0.078 19288 5444 1 13 . 1 1 33 33 ARG HA H 33 3.658 3.658 4.669 -1.011 19288 5445 1 13 . 1 1 33 33 ARG C C 33 178.735 178.735 173.812 4.923 19288 5446 1 13 . 1 1 33 33 ARG CA C 33 60.012 60.012 56.061 3.951 19288 5447 1 13 . 1 1 33 33 ARG CB C 33 31.144 31.144 34.347 -3.203 19288 5448 1 13 . 1 1 33 33 ARG H H 33 8.633 8.633 7.614 1.019 19288 5449 1 13 . 1 1 34 34 MET N N 34 115.672 115.672 121.131 -5.459 19288 5450 1 13 . 1 1 34 34 MET HA H 34 4.211 4.211 5.077 -0.866 19288 5451 1 13 . 1 1 34 34 MET C C 34 176.427 176.427 175.338 1.089 19288 5452 1 13 . 1 1 34 34 MET CA C 34 57.866 57.866 54.334 3.532 19288 5453 1 13 . 1 1 34 34 MET CB C 34 32.221 32.221 35.725 -3.504 19288 5454 1 13 . 1 1 34 34 MET H H 34 7.057 7.057 8.529 -1.472 19288 5455 1 13 . 1 1 35 35 ILE N N 35 116.381 116.381 128.686 -12.305 19288 5456 1 13 . 1 1 35 35 ILE HA H 35 3.904 3.904 4.216 -0.312 19288 5457 1 13 . 1 1 35 35 ILE C C 35 177.504 177.504 174.755 2.749 19288 5458 1 13 . 1 1 35 35 ILE CA C 35 63.402 63.402 62.408 0.994 19288 5459 1 13 . 1 1 35 35 ILE CB C 35 37.724 37.724 38.132 -0.408 19288 5460 1 13 . 1 1 35 35 ILE H H 35 7.811 7.811 9.007 -1.196 19288 5461 1 13 . 1 1 36 36 HIS N N 36 117.423 117.423 128.034 -10.611 19288 5462 1 13 . 1 1 36 36 HIS HA H 36 4.481 4.481 4.847 -0.366 19288 5463 1 13 . 1 1 36 36 HIS C C 36 178.413 178.413 173.485 4.928 19288 5464 1 13 . 1 1 36 36 HIS CA C 36 55.260 55.260 55.463 -0.203 19288 5465 1 13 . 1 1 36 36 HIS CB C 36 28.066 28.066 29.526 -1.460 19288 5466 1 13 . 1 1 36 36 HIS H H 36 7.247 7.247 8.846 -1.599 19288 5467 1 13 . 1 1 37 37 THR N N 37 110.804 110.804 118.064 -7.260 19288 5468 1 13 . 1 1 37 37 THR HA H 37 4.160 4.160 4.419 -0.259 19288 5469 1 13 . 1 1 37 37 THR C C 37 177.179 177.179 174.160 3.019 19288 5470 1 13 . 1 1 37 37 THR CA C 37 62.791 62.791 62.841 -0.050 19288 5471 1 13 . 1 1 37 37 THR CB C 37 69.712 69.712 70.932 -1.220 19288 5472 1 13 . 1 1 37 37 THR H H 37 7.553 7.553 8.066 -0.513 19288 5473 1 13 . 1 1 38 38 GLY N N 38 110.842 110.842 109.781 1.061 19288 5474 1 13 . 1 1 38 38 GLY C C 38 175.821 175.821 175.498 0.323 19288 5475 1 13 . 1 1 38 38 GLY CA C 38 45.403 45.403 42.978 2.425 19288 5476 1 13 . 1 1 38 38 GLY H H 38 8.195 8.195 7.727 0.468 19288 5477 1 13 . 1 1 39 39 GLU N N 39 120.441 120.441 124.270 -3.829 19288 5478 1 13 . 1 1 39 39 GLU HA H 39 4.238 4.238 4.427 -0.189 19288 5479 1 13 . 1 1 39 39 GLU C C 39 175.390 175.390 174.787 0.603 19288 5480 1 13 . 1 1 39 39 GLU CA C 39 56.572 56.572 57.996 -1.424 19288 5481 1 13 . 1 1 39 39 GLU H H 39 7.953 7.953 8.758 -0.805 19288 5482 1 13 . 1 1 40 40 LYS N N 40 123.624 123.624 127.733 -4.109 19288 5483 1 13 . 1 1 40 40 LYS HA H 40 4.534 4.534 4.559 -0.024 19288 5484 1 13 . 1 1 40 40 LYS C C 40 174.124 174.124 174.172 -0.048 19288 5485 1 13 . 1 1 40 40 LYS CA C 40 54.236 54.236 54.740 -0.505 19288 5486 1 13 . 1 1 40 40 LYS CB C 40 32.769 32.769 35.761 -2.992 19288 5487 1 13 . 1 1 40 40 LYS H H 40 8.321 8.321 7.949 0.372 19288 5488 1 13 . 1 1 41 41 PRO HA H 41 4.404 4.404 5.031 -0.627 19288 5489 1 13 . 1 1 41 41 PRO C C 41 176.103 176.103 175.747 0.356 19288 5490 1 13 . 1 1 41 41 PRO CA C 41 63.174 63.174 62.096 1.078 19288 5491 1 13 . 1 1 41 41 PRO CB C 41 32.306 32.306 32.912 -0.606 19288 5492 1 13 . 1 1 42 42 LEU N N 42 122.177 122.177 126.565 -4.388 19288 5493 1 13 . 1 1 42 42 LEU HA H 42 4.381 4.381 4.443 -0.062 19288 5494 1 13 . 1 1 42 42 LEU CA C 42 54.626 54.626 53.235 1.391 19288 5495 1 13 . 1 1 42 42 LEU CB C 42 42.719 42.719 44.895 -2.176 19288 5496 1 13 . 1 1 42 42 LEU H H 42 8.293 8.293 8.191 0.102 19288 5497 1 13 . 1 1 43 43 GLN N N 43 119.188 119.188 121.430 -2.242 19288 5498 1 13 . 1 1 43 43 GLN HA H 43 5.181 5.181 4.221 0.961 19288 5499 1 13 . 1 1 43 43 GLN C C 43 176.325 176.325 175.286 1.039 19288 5500 1 13 . 1 1 43 43 GLN CA C 43 53.898 53.898 56.363 -2.465 19288 5501 1 13 . 1 1 43 43 GLN CB C 43 32.969 32.969 28.784 4.185 19288 5502 1 13 . 1 1 43 43 GLN H H 43 8.180 8.180 8.603 -0.423 19288 5503 1 13 . 1 1 44 44 CYS N N 44 127.346 127.346 119.652 7.694 19288 5504 1 13 . 1 1 44 44 CYS HA H 44 4.453 4.453 4.617 -0.164 19288 5505 1 13 . 1 1 44 44 CYS C C 44 175.677 175.677 175.204 0.473 19288 5506 1 13 . 1 1 44 44 CYS CA C 44 59.437 59.437 58.413 1.024 19288 5507 1 13 . 1 1 44 44 CYS CB C 44 30.721 30.721 28.235 2.486 19288 5508 1 13 . 1 1 44 44 CYS H H 44 9.299 9.299 7.402 1.897 19288 5509 1 13 . 1 1 45 45 GLU N N 45 131.846 131.846 125.180 6.666 19288 5510 1 13 . 1 1 45 45 GLU HA H 45 4.178 4.178 4.032 0.146 19288 5511 1 13 . 1 1 45 45 GLU C C 45 174.655 174.655 178.288 -3.633 19288 5512 1 13 . 1 1 45 45 GLU CA C 45 58.342 58.342 60.183 -1.841 19288 5513 1 13 . 1 1 45 45 GLU CB C 45 29.819 29.819 29.564 0.255 19288 5514 1 13 . 1 1 45 45 GLU H H 45 9.602 9.602 8.822 0.780 19288 5515 1 13 . 1 1 46 46 ILE N N 46 121.898 121.898 118.446 3.452 19288 5516 1 13 . 1 1 46 46 ILE HA H 46 3.840 3.840 4.076 -0.236 19288 5517 1 13 . 1 1 46 46 ILE C C 46 177.404 177.404 177.216 0.188 19288 5518 1 13 . 1 1 46 46 ILE CA C 46 63.494 63.494 63.598 -0.104 19288 5519 1 13 . 1 1 46 46 ILE CB C 46 38.461 38.461 36.761 1.700 19288 5520 1 13 . 1 1 46 46 ILE H H 46 8.973 8.973 8.659 0.314 19288 5521 1 13 . 1 1 47 47 CYS N N 47 117.274 117.274 117.721 -0.447 19288 5522 1 13 . 1 1 47 47 CYS HA H 47 5.231 5.231 4.389 0.842 19288 5523 1 13 . 1 1 47 47 CYS C C 47 176.087 176.087 176.891 -0.804 19288 5524 1 13 . 1 1 47 47 CYS CA C 47 58.455 58.455 61.756 -3.301 19288 5525 1 13 . 1 1 47 47 CYS CB C 47 33.590 33.590 27.980 5.610 19288 5526 1 13 . 1 1 47 47 CYS H H 47 8.432 8.432 7.580 0.852 19288 5527 1 13 . 1 1 48 48 GLY N N 48 112.655 112.655 110.090 2.565 19288 5528 1 13 . 1 1 48 48 GLY C C 48 177.177 177.177 176.842 0.335 19288 5529 1 13 . 1 1 48 48 GLY CA C 48 46.253 46.253 48.278 -2.025 19288 5530 1 13 . 1 1 48 48 GLY H H 48 8.016 8.016 7.951 0.065 19288 5531 1 13 . 1 1 49 49 PHE N N 49 125.000 125.000 119.954 5.046 19288 5532 1 13 . 1 1 49 49 PHE HA H 49 4.272 4.272 4.286 -0.014 19288 5533 1 13 . 1 1 49 49 PHE C C 49 176.313 176.313 177.790 -1.477 19288 5534 1 13 . 1 1 49 49 PHE CA C 49 59.750 59.750 62.136 -2.386 19288 5535 1 13 . 1 1 49 49 PHE CB C 49 41.278 41.278 38.805 2.473 19288 5536 1 13 . 1 1 49 49 PHE H H 49 8.333 8.333 8.192 0.141 19288 5537 1 13 . 1 1 50 50 THR N N 50 118.297 118.297 112.710 5.587 19288 5538 1 13 . 1 1 50 50 THR HA H 50 5.150 5.150 4.250 0.900 19288 5539 1 13 . 1 1 50 50 THR C C 50 173.480 173.480 176.767 -3.287 19288 5540 1 13 . 1 1 50 50 THR CA C 50 59.186 59.186 65.329 -6.143 19288 5541 1 13 . 1 1 50 50 THR CB C 50 71.954 71.954 68.605 3.349 19288 5542 1 13 . 1 1 50 50 THR H H 50 7.336 7.336 7.774 -0.438 19288 5543 1 13 . 1 1 51 51 CYS N N 51 115.101 115.101 120.579 -5.478 19288 5544 1 13 . 1 1 51 51 CYS HA H 51 4.540 4.540 3.859 0.681 19288 5545 1 13 . 1 1 51 51 CYS C C 51 173.381 173.381 177.308 -3.927 19288 5546 1 13 . 1 1 51 51 CYS CA C 51 56.305 56.305 63.244 -6.939 19288 5547 1 13 . 1 1 51 51 CYS CB C 51 30.578 30.578 28.097 2.481 19288 5548 1 13 . 1 1 51 51 CYS H H 51 8.318 8.318 8.464 -0.146 19288 5549 1 13 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.380 0.186 19288 5550 1 13 . 1 1 52 52 ARG C C 52 172.494 172.494 177.740 -5.246 19288 5551 1 13 . 1 1 52 52 ARG CA C 52 56.923 56.923 59.839 -2.916 19288 5552 1 13 . 1 1 52 52 ARG CB C 52 31.891 31.891 30.541 1.350 19288 5553 1 13 . 1 1 53 53 GLN N N 53 115.534 115.534 119.521 -3.987 19288 5554 1 13 . 1 1 53 53 GLN HA H 53 4.719 4.719 3.923 0.796 19288 5555 1 13 . 1 1 53 53 GLN CA C 53 54.637 54.637 58.791 -4.154 19288 5556 1 13 . 1 1 53 53 GLN CB C 53 30.904 30.904 28.082 2.822 19288 5557 1 13 . 1 1 53 53 GLN H H 53 7.649 7.649 7.721 -0.072 19288 5558 1 13 . 1 1 54 54 LYS N N 54 127.065 127.065 118.853 8.212 19288 5559 1 13 . 1 1 54 54 LYS HA H 54 3.771 3.771 3.724 0.047 19288 5560 1 13 . 1 1 54 54 LYS C C 54 176.035 176.035 179.074 -3.039 19288 5561 1 13 . 1 1 54 54 LYS CA C 54 59.833 59.833 59.111 0.722 19288 5562 1 13 . 1 1 54 54 LYS CB C 54 32.087 32.087 31.985 0.102 19288 5563 1 13 . 1 1 54 54 LYS H H 54 9.132 9.132 7.607 1.525 19288 5564 1 13 . 1 1 55 55 ALA N N 55 120.230 120.230 120.353 -0.123 19288 5565 1 13 . 1 1 55 55 ALA HA H 55 4.135 4.135 4.124 0.011 19288 5566 1 13 . 1 1 55 55 ALA C C 55 176.728 176.728 180.252 -3.524 19288 5567 1 13 . 1 1 55 55 ALA CA C 55 55.456 55.456 54.968 0.488 19288 5568 1 13 . 1 1 55 55 ALA CB C 55 18.224 18.224 18.791 -0.567 19288 5569 1 13 . 1 1 55 55 ALA H H 55 9.016 9.016 7.119 1.897 19288 5570 1 13 . 1 1 56 56 SER N N 56 112.225 112.225 114.571 -2.346 19288 5571 1 13 . 1 1 56 56 SER HA H 56 4.509 4.509 4.425 0.084 19288 5572 1 13 . 1 1 56 56 SER C C 56 178.309 178.309 175.622 2.687 19288 5573 1 13 . 1 1 56 56 SER CA C 56 61.172 61.172 59.624 1.548 19288 5574 1 13 . 1 1 56 56 SER CB C 56 62.925 62.925 63.012 -0.087 19288 5575 1 13 . 1 1 56 56 SER H H 56 7.097 7.097 7.956 -0.859 19288 5576 1 13 . 1 1 57 57 LEU N N 57 126.317 126.317 119.397 6.920 19288 5577 1 13 . 1 1 57 57 LEU HA H 57 4.327 4.327 4.209 0.118 19288 5578 1 13 . 1 1 57 57 LEU C C 57 180.642 180.642 177.479 3.163 19288 5579 1 13 . 1 1 57 57 LEU CA C 57 58.038 58.038 56.693 1.345 19288 5580 1 13 . 1 1 57 57 LEU CB C 57 41.443 41.443 42.449 -1.006 19288 5581 1 13 . 1 1 57 57 LEU H H 57 7.667 7.667 7.836 -0.169 19288 5582 1 13 . 1 1 58 58 ASN N N 58 118.325 118.325 111.085 7.240 19288 5583 1 13 . 1 1 58 58 ASN HA H 58 4.364 4.364 4.422 -0.058 19288 5584 1 13 . 1 1 58 58 ASN C C 58 176.770 176.770 176.415 0.355 19288 5585 1 13 . 1 1 58 58 ASN CA C 58 56.457 56.457 55.700 0.756 19288 5586 1 13 . 1 1 58 58 ASN CB C 58 37.852 37.852 36.590 1.262 19288 5587 1 13 . 1 1 58 58 ASN H H 58 8.533 8.533 8.231 0.302 19288 5588 1 13 . 1 1 59 59 TRP N N 59 119.802 119.802 122.386 -2.584 19288 5589 1 13 . 1 1 59 59 TRP HA H 59 4.349 4.349 4.659 -0.310 19288 5590 1 13 . 1 1 59 59 TRP C C 59 178.160 178.160 177.848 0.312 19288 5591 1 13 . 1 1 59 59 TRP CA C 59 60.432 60.432 60.014 0.418 19288 5592 1 13 . 1 1 59 59 TRP CB C 59 29.304 29.304 29.786 -0.482 19288 5593 1 13 . 1 1 59 59 TRP H H 59 7.914 7.914 7.858 0.056 19288 5594 1 13 . 1 1 60 60 HIS N N 60 119.175 119.175 118.199 0.976 19288 5595 1 13 . 1 1 60 60 HIS HA H 60 3.675 3.675 4.456 -0.781 19288 5596 1 13 . 1 1 60 60 HIS C C 60 174.721 174.721 175.873 -1.152 19288 5597 1 13 . 1 1 60 60 HIS CA C 60 60.038 60.038 56.815 3.223 19288 5598 1 13 . 1 1 60 60 HIS CB C 60 28.143 28.143 28.872 -0.729 19288 5599 1 13 . 1 1 60 60 HIS H H 60 8.131 8.131 8.384 -0.253 19288 5600 1 13 . 1 1 61 61 MET N N 61 114.602 114.602 116.136 -1.534 19288 5601 1 13 . 1 1 61 61 MET HA H 61 4.127 4.127 4.220 -0.093 19288 5602 1 13 . 1 1 61 61 MET C C 61 178.337 178.337 176.733 1.604 19288 5603 1 13 . 1 1 61 61 MET CA C 61 57.177 57.177 56.218 0.959 19288 5604 1 13 . 1 1 61 61 MET CB C 61 30.085 30.085 32.245 -2.160 19288 5605 1 13 . 1 1 61 61 MET H H 61 8.448 8.448 7.891 0.557 19288 5606 1 13 . 1 1 62 62 LYS N N 62 118.858 118.858 117.324 1.534 19288 5607 1 13 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.107 -0.109 19288 5608 1 13 . 1 1 62 62 LYS C C 62 176.716 176.716 175.344 1.372 19288 5609 1 13 . 1 1 62 62 LYS CA C 62 58.512 58.512 56.170 2.342 19288 5610 1 13 . 1 1 62 62 LYS CB C 62 31.694 31.694 34.941 -3.248 19288 5611 1 13 . 1 1 62 62 LYS H H 62 7.285 7.285 7.106 0.179 19288 5612 1 13 . 1 1 63 63 LYS N N 63 117.683 117.683 118.866 -1.183 19288 5613 1 13 . 1 1 63 63 LYS HA H 63 3.793 3.793 4.378 -0.585 19288 5614 1 13 . 1 1 63 63 LYS C C 63 179.150 179.150 174.601 4.549 19288 5615 1 13 . 1 1 63 63 LYS CA C 63 57.827 57.827 55.602 2.225 19288 5616 1 13 . 1 1 63 63 LYS CB C 63 31.272 31.272 35.926 -4.654 19288 5617 1 13 . 1 1 63 63 LYS H H 63 7.516 7.516 8.140 -0.624 19288 5618 1 13 . 1 1 64 64 HIS N N 64 115.200 115.200 121.273 -6.073 19288 5619 1 13 . 1 1 64 64 HIS HA H 64 4.708 4.708 4.616 0.092 19288 5620 1 13 . 1 1 64 64 HIS C C 64 178.727 178.727 173.172 5.555 19288 5621 1 13 . 1 1 64 64 HIS CA C 64 55.628 55.628 54.810 0.818 19288 5622 1 13 . 1 1 64 64 HIS CB C 64 28.782 28.782 31.933 -3.151 19288 5623 1 13 . 1 1 64 64 HIS H H 64 7.155 7.155 8.265 -1.110 19288 5624 1 13 . 1 1 65 65 ASP N N 65 120.441 120.441 122.037 -1.596 19288 5625 1 13 . 1 1 65 65 ASP HA H 65 4.503 4.503 4.897 -0.394 19288 5626 1 13 . 1 1 65 65 ASP C C 65 177.648 177.648 176.738 0.910 19288 5627 1 13 . 1 1 65 65 ASP CA C 65 55.296 55.296 53.530 1.766 19288 5628 1 13 . 1 1 65 65 ASP CB C 65 41.122 41.122 41.426 -0.304 19288 5629 1 13 . 1 1 65 65 ASP H H 65 7.653 7.653 8.292 -0.639 19288 5630 1 13 . 1 1 66 66 ALA N N 66 123.184 123.184 129.756 -6.572 19288 5631 1 13 . 1 1 66 66 ALA HA H 66 4.141 4.141 4.101 0.040 19288 5632 1 13 . 1 1 66 66 ALA C C 66 175.172 175.172 178.478 -3.306 19288 5633 1 13 . 1 1 66 66 ALA CA C 66 53.693 53.693 54.806 -1.113 19288 5634 1 13 . 1 1 66 66 ALA CB C 66 19.049 19.049 19.150 -0.101 19288 5635 1 13 . 1 1 66 66 ALA H H 66 8.088 8.088 8.664 -0.576 19288 5636 1 13 . 1 1 67 67 ASP N N 67 117.608 117.608 119.981 -2.373 19288 5637 1 13 . 1 1 67 67 ASP HA H 67 4.175 4.175 4.462 -0.287 19288 5638 1 13 . 1 1 67 67 ASP C C 67 176.687 176.687 176.512 0.175 19288 5639 1 13 . 1 1 67 67 ASP CA C 67 54.842 54.842 55.413 -0.571 19288 5640 1 13 . 1 1 67 67 ASP CB C 67 40.957 40.957 41.250 -0.293 19288 5641 1 13 . 1 1 67 67 ASP H H 67 7.999 7.999 8.219 -0.220 19288 5642 1 13 . 1 1 68 68 SER N N 68 114.794 114.794 113.500 1.294 19288 5643 1 13 . 1 1 68 68 SER HA H 68 4.145 4.145 4.825 -0.680 19288 5644 1 13 . 1 1 68 68 SER C C 68 178.056 178.056 174.556 3.500 19288 5645 1 13 . 1 1 68 68 SER CA C 68 59.397 59.397 56.193 3.204 19288 5646 1 13 . 1 1 68 68 SER CB C 68 63.682 63.682 65.018 -1.336 19288 5647 1 13 . 1 1 68 68 SER H H 68 7.797 7.797 7.856 -0.059 19288 5648 1 13 . 1 1 69 69 PHE N N 69 120.277 120.277 122.125 -1.848 19288 5649 1 13 . 1 1 69 69 PHE HA H 69 4.474 4.474 4.477 -0.003 19288 5650 1 13 . 1 1 69 69 PHE C C 69 176.959 176.959 175.043 1.916 19288 5651 1 13 . 1 1 69 69 PHE CA C 69 58.048 58.048 57.957 0.091 19288 5652 1 13 . 1 1 69 69 PHE H H 69 7.850 7.850 8.398 -0.548 19288 5653 1 13 . 1 1 70 70 TYR N N 70 121.023 121.023 121.634 -0.611 19288 5654 1 13 . 1 1 70 70 TYR HA H 70 4.494 4.494 3.914 0.580 19288 5655 1 13 . 1 1 70 70 TYR C C 70 174.330 174.330 174.899 -0.569 19288 5656 1 13 . 1 1 70 70 TYR CA C 70 56.491 56.491 57.425 -0.934 19288 5657 1 13 . 1 1 70 70 TYR CB C 70 37.727 37.727 38.975 -1.248 19288 5658 1 13 . 1 1 70 70 TYR H H 70 7.818 7.818 8.089 -0.271 19288 5659 1 13 . 1 1 71 71 GLN N N 71 119.046 119.046 117.338 1.708 19288 5660 1 13 . 1 1 71 71 GLN HA H 71 4.085 4.085 4.065 0.020 19288 5661 1 13 . 1 1 71 71 GLN C C 71 175.830 175.830 174.110 1.720 19288 5662 1 13 . 1 1 71 71 GLN CA C 71 56.485 56.485 56.326 0.159 19288 5663 1 13 . 1 1 71 71 GLN CB C 71 30.291 30.291 25.860 4.431 19288 5664 1 13 . 1 1 71 71 GLN H H 71 8.352 8.352 8.058 0.294 19288 5665 1 13 . 1 1 72 72 PHE N N 72 117.779 117.779 117.210 0.569 19288 5666 1 13 . 1 1 72 72 PHE HA H 72 4.850 4.850 4.624 0.226 19288 5667 1 13 . 1 1 72 72 PHE C C 72 176.323 176.323 175.947 0.376 19288 5668 1 13 . 1 1 72 72 PHE CA C 72 57.157 57.157 55.463 1.694 19288 5669 1 13 . 1 1 72 72 PHE CB C 72 41.106 41.106 40.833 0.273 19288 5670 1 13 . 1 1 72 72 PHE H H 72 7.901 7.901 7.667 0.234 19288 5671 1 13 . 1 1 73 73 SER N N 73 114.707 114.707 118.626 -3.919 19288 5672 1 13 . 1 1 73 73 SER HA H 73 5.469 5.469 4.342 1.127 19288 5673 1 13 . 1 1 73 73 SER C C 73 175.151 175.151 173.786 1.365 19288 5674 1 13 . 1 1 73 73 SER CA C 73 57.026 57.026 59.853 -2.827 19288 5675 1 13 . 1 1 73 73 SER CB C 73 65.963 65.963 63.780 2.183 19288 5676 1 13 . 1 1 73 73 SER H H 73 8.744 8.744 8.784 -0.040 19288 5677 1 13 . 1 1 74 74 CYS N N 74 124.143 124.143 115.673 8.470 19288 5678 1 13 . 1 1 74 74 CYS HA H 74 4.391 4.391 4.477 -0.086 19288 5679 1 13 . 1 1 74 74 CYS C C 74 174.848 174.848 175.279 -0.431 19288 5680 1 13 . 1 1 74 74 CYS CA C 74 59.743 59.743 58.118 1.625 19288 5681 1 13 . 1 1 74 74 CYS CB C 74 30.581 30.581 28.784 1.797 19288 5682 1 13 . 1 1 74 74 CYS H H 74 9.154 9.154 7.747 1.407 19288 5683 1 13 . 1 1 75 75 ASN HA H 75 4.501 4.501 4.078 0.423 19288 5684 1 13 . 1 1 75 75 ASN C C 75 173.664 173.664 177.125 -3.461 19288 5685 1 13 . 1 1 75 75 ASN CA C 75 55.316 55.316 55.974 -0.658 19288 5686 1 13 . 1 1 75 75 ASN CB C 75 36.774 36.774 37.998 -1.224 19288 5687 1 13 . 1 1 76 76 ILE N N 76 123.143 123.143 119.269 3.874 19288 5688 1 13 . 1 1 76 76 ILE HA H 76 3.908 3.908 3.886 0.022 19288 5689 1 13 . 1 1 76 76 ILE CA C 76 63.223 63.223 64.566 -1.343 19288 5690 1 13 . 1 1 76 76 ILE CB C 76 38.269 38.269 37.786 0.483 19288 5691 1 13 . 1 1 76 76 ILE H H 76 8.921 8.921 8.274 0.647 19288 5692 1 13 . 1 1 77 77 CYS N N 77 116.298 116.298 118.561 -2.263 19288 5693 1 13 . 1 1 77 77 CYS HA H 77 5.159 5.159 3.883 1.276 19288 5694 1 13 . 1 1 77 77 CYS C C 77 174.401 174.401 176.726 -2.325 19288 5695 1 13 . 1 1 77 77 CYS CA C 77 58.394 58.394 61.845 -3.451 19288 5696 1 13 . 1 1 77 77 CYS CB C 77 32.743 32.743 27.258 5.485 19288 5697 1 13 . 1 1 77 77 CYS H H 77 8.243 8.243 7.381 0.862 19288 5698 1 13 . 1 1 78 78 GLY N N 78 113.607 113.607 111.212 2.395 19288 5699 1 13 . 1 1 78 78 GLY C C 78 176.862 176.862 176.200 0.662 19288 5700 1 13 . 1 1 78 78 GLY CA C 78 46.321 46.321 49.059 -2.738 19288 5701 1 13 . 1 1 78 78 GLY H H 78 8.060 8.060 7.173 0.887 19288 5702 1 13 . 1 1 79 79 LYS N N 79 123.134 123.134 119.805 3.329 19288 5703 1 13 . 1 1 79 79 LYS HA H 79 3.950 3.950 3.781 0.169 19288 5704 1 13 . 1 1 79 79 LYS C C 79 176.484 176.484 178.428 -1.944 19288 5705 1 13 . 1 1 79 79 LYS CA C 79 58.342 58.342 59.905 -1.563 19288 5706 1 13 . 1 1 79 79 LYS CB C 79 33.770 33.770 31.010 2.760 19288 5707 1 13 . 1 1 79 79 LYS H H 79 7.977 7.977 8.021 -0.044 19288 5708 1 13 . 1 1 80 80 LYS N N 80 121.440 121.440 119.083 2.357 19288 5709 1 13 . 1 1 80 80 LYS HA H 80 4.884 4.884 3.993 0.891 19288 5710 1 13 . 1 1 80 80 LYS C C 80 173.961 173.961 178.058 -4.097 19288 5711 1 13 . 1 1 80 80 LYS CA C 80 55.524 55.524 59.190 -3.666 19288 5712 1 13 . 1 1 80 80 LYS CB C 80 35.024 35.024 31.732 3.292 19288 5713 1 13 . 1 1 80 80 LYS H H 80 7.918 7.918 7.537 0.381 19288 5714 1 13 . 1 1 81 81 PHE N N 81 116.724 116.724 119.355 -2.631 19288 5715 1 13 . 1 1 81 81 PHE HA H 81 4.598 4.598 4.294 0.304 19288 5716 1 13 . 1 1 81 81 PHE C C 81 174.541 174.541 178.082 -3.541 19288 5717 1 13 . 1 1 81 81 PHE CA C 81 57.359 57.359 62.073 -4.714 19288 5718 1 13 . 1 1 81 81 PHE CB C 81 44.738 44.738 39.422 5.316 19288 5719 1 13 . 1 1 81 81 PHE H H 81 8.725 8.725 7.798 0.927 19288 5720 1 13 . 1 1 82 82 GLU N N 82 120.474 120.474 120.283 0.191 19288 5721 1 13 . 1 1 82 82 GLU HA H 82 4.155 4.155 4.312 -0.157 19288 5722 1 13 . 1 1 82 82 GLU C C 82 175.832 175.832 178.330 -2.498 19288 5723 1 13 . 1 1 82 82 GLU CA C 82 57.900 57.900 59.581 -1.681 19288 5724 1 13 . 1 1 82 82 GLU CB C 82 30.829 30.829 29.875 0.954 19288 5725 1 13 . 1 1 82 82 GLU H H 82 8.775 8.775 8.432 0.343 19288 5726 1 13 . 1 1 83 83 LYS N N 83 114.607 114.607 115.525 -0.918 19288 5727 1 13 . 1 1 83 83 LYS HA H 83 4.607 4.607 4.230 0.377 19288 5728 1 13 . 1 1 83 83 LYS C C 83 174.585 174.585 176.829 -2.244 19288 5729 1 13 . 1 1 83 83 LYS CA C 83 54.369 54.369 58.418 -4.049 19288 5730 1 13 . 1 1 83 83 LYS CB C 83 35.540 35.540 32.182 3.357 19288 5731 1 13 . 1 1 83 83 LYS H H 83 7.547 7.547 7.713 -0.166 19288 5732 1 13 . 1 1 84 84 LYS N N 84 124.921 124.921 116.876 8.045 19288 5733 1 13 . 1 1 84 84 LYS HA H 84 3.073 3.073 4.344 -1.271 19288 5734 1 13 . 1 1 84 84 LYS C C 84 176.545 176.545 177.926 -1.381 19288 5735 1 13 . 1 1 84 84 LYS CA C 84 59.680 59.680 57.605 2.075 19288 5736 1 13 . 1 1 84 84 LYS CB C 84 31.920 31.920 33.678 -1.758 19288 5737 1 13 . 1 1 84 84 LYS H H 84 8.162 8.162 7.279 0.883 19288 5738 1 13 . 1 1 85 85 ASP N N 85 116.468 116.468 117.502 -1.034 19288 5739 1 13 . 1 1 85 85 ASP HA H 85 4.192 4.192 4.558 -0.366 19288 5740 1 13 . 1 1 85 85 ASP C C 85 176.385 176.385 175.493 0.892 19288 5741 1 13 . 1 1 85 85 ASP CA C 85 56.789 56.789 55.078 1.711 19288 5742 1 13 . 1 1 85 85 ASP CB C 85 39.780 39.780 41.839 -2.059 19288 5743 1 13 . 1 1 85 85 ASP H H 85 8.682 8.682 7.890 0.792 19288 5744 1 13 . 1 1 86 86 SER N N 86 114.601 114.601 117.321 -2.720 19288 5745 1 13 . 1 1 86 86 SER HA H 86 4.183 4.183 4.895 -0.712 19288 5746 1 13 . 1 1 86 86 SER C C 86 179.169 179.169 172.614 6.555 19288 5747 1 13 . 1 1 86 86 SER CA C 86 60.939 60.939 55.758 5.181 19288 5748 1 13 . 1 1 86 86 SER CB C 86 62.823 62.823 65.762 -2.939 19288 5749 1 13 . 1 1 86 86 SER H H 86 7.200 7.200 8.135 -0.935 19288 5750 1 13 . 1 1 87 87 VAL HA H 87 2.698 2.698 4.255 -1.557 19288 5751 1 13 . 1 1 87 87 VAL C C 87 178.806 178.806 174.803 4.003 19288 5752 1 13 . 1 1 87 87 VAL CA C 87 66.028 66.028 62.307 3.721 19288 5753 1 13 . 1 1 87 87 VAL CB C 87 31.461 31.461 30.007 1.454 19288 5754 1 13 . 1 1 88 88 VAL N N 88 120.424 120.424 120.127 0.297 19288 5755 1 13 . 1 1 88 88 VAL HA H 88 3.485 3.485 4.330 -0.845 19288 5756 1 13 . 1 1 88 88 VAL C C 88 176.208 176.208 174.109 2.099 19288 5757 1 13 . 1 1 88 88 VAL CA C 88 66.735 66.735 61.320 5.415 19288 5758 1 13 . 1 1 88 88 VAL CB C 88 31.948 31.948 33.989 -2.041 19288 5759 1 13 . 1 1 88 88 VAL H H 88 7.190 7.190 7.871 -0.681 19288 5760 1 14 . 1 1 10 10 HIS HA H 10 4.620 4.620 4.885 -0.265 19288 5761 1 14 . 1 1 10 10 HIS CA C 10 56.302 56.302 54.905 1.397 19288 5762 1 14 . 1 1 10 10 HIS CB C 10 30.312 30.312 31.407 -1.095 19288 5763 1 14 . 1 1 11 11 MET N N 11 121.464 121.464 123.252 -1.788 19288 5764 1 14 . 1 1 11 11 MET HA H 11 4.387 4.387 4.657 -0.270 19288 5765 1 14 . 1 1 11 11 MET CA C 11 55.835 55.835 55.433 0.402 19288 5766 1 14 . 1 1 11 11 MET CB C 11 32.794 32.794 34.580 -1.786 19288 5767 1 14 . 1 1 11 11 MET H H 11 8.178 8.178 7.977 0.201 19288 5768 1 14 . 1 1 12 12 ARG N N 12 121.614 121.614 122.602 -0.988 19288 5769 1 14 . 1 1 12 12 ARG HA H 12 4.244 4.244 4.236 0.008 19288 5770 1 14 . 1 1 12 12 ARG CA C 12 55.802 55.802 57.478 -1.676 19288 5771 1 14 . 1 1 12 12 ARG CB C 12 31.110 31.110 30.598 0.512 19288 5772 1 14 . 1 1 12 12 ARG H H 12 8.209 8.209 8.507 -0.298 19288 5773 1 14 . 1 1 13 13 ASP N N 13 119.634 119.634 117.505 2.129 19288 5774 1 14 . 1 1 13 13 ASP HA H 13 4.667 4.667 4.580 0.087 19288 5775 1 14 . 1 1 13 13 ASP C C 13 175.723 175.723 173.947 1.776 19288 5776 1 14 . 1 1 13 13 ASP CA C 13 54.112 54.112 53.511 0.601 19288 5777 1 14 . 1 1 13 13 ASP CB C 13 42.459 42.459 42.380 0.079 19288 5778 1 14 . 1 1 13 13 ASP H H 13 7.858 7.858 7.470 0.388 19288 5779 1 14 . 1 1 14 14 TYR N N 14 120.932 120.932 119.198 1.734 19288 5780 1 14 . 1 1 14 14 TYR HA H 14 4.534 4.534 4.741 -0.207 19288 5781 1 14 . 1 1 14 14 TYR C C 14 174.767 174.767 176.093 -1.326 19288 5782 1 14 . 1 1 14 14 TYR CA C 14 57.521 57.521 57.450 0.071 19288 5783 1 14 . 1 1 14 14 TYR CB C 14 38.608 38.608 42.122 -3.514 19288 5784 1 14 . 1 1 14 14 TYR H H 14 8.676 8.676 8.468 0.208 19288 5785 1 14 . 1 1 15 15 ILE N N 15 124.585 124.585 124.995 -0.410 19288 5786 1 14 . 1 1 15 15 ILE HA H 15 4.714 4.714 4.072 0.642 19288 5787 1 14 . 1 1 15 15 ILE C C 15 175.178 175.178 175.525 -0.347 19288 5788 1 14 . 1 1 15 15 ILE CA C 15 59.647 59.647 62.528 -2.881 19288 5789 1 14 . 1 1 15 15 ILE CB C 15 39.969 39.969 38.545 1.424 19288 5790 1 14 . 1 1 15 15 ILE H H 15 8.479 8.479 8.704 -0.225 19288 5791 1 14 . 1 1 16 16 CYS N N 16 129.411 129.411 114.142 15.269 19288 5792 1 14 . 1 1 16 16 CYS HA H 16 4.334 4.334 4.617 -0.283 19288 5793 1 14 . 1 1 16 16 CYS C C 16 174.675 174.675 175.228 -0.553 19288 5794 1 14 . 1 1 16 16 CYS CA C 16 61.303 61.303 57.298 4.005 19288 5795 1 14 . 1 1 16 16 CYS CB C 16 30.233 30.233 29.661 0.572 19288 5796 1 14 . 1 1 16 16 CYS H H 16 9.141 9.141 7.725 1.416 19288 5797 1 14 . 1 1 17 17 GLU N N 17 133.830 133.830 127.369 6.461 19288 5798 1 14 . 1 1 17 17 GLU HA H 17 4.200 4.200 3.585 0.615 19288 5799 1 14 . 1 1 17 17 GLU C C 17 175.826 175.826 178.059 -2.233 19288 5800 1 14 . 1 1 17 17 GLU CA C 17 58.616 58.616 59.432 -0.816 19288 5801 1 14 . 1 1 17 17 GLU CB C 17 28.133 28.133 29.172 -1.038 19288 5802 1 14 . 1 1 17 17 GLU H H 17 10.744 10.744 8.595 2.149 19288 5803 1 14 . 1 1 18 18 TYR N N 18 121.850 121.850 122.130 -0.280 19288 5804 1 14 . 1 1 18 18 TYR HA H 18 4.316 4.316 4.235 0.081 19288 5805 1 14 . 1 1 18 18 TYR C C 18 176.782 176.782 177.702 -0.920 19288 5806 1 14 . 1 1 18 18 TYR CA C 18 60.371 60.371 61.906 -1.535 19288 5807 1 14 . 1 1 18 18 TYR CB C 18 37.374 37.374 38.251 -0.877 19288 5808 1 14 . 1 1 18 18 TYR H H 18 9.190 9.190 7.433 1.757 19288 5809 1 14 . 1 1 19 19 CYS N N 19 116.138 116.138 118.047 -1.909 19288 5810 1 14 . 1 1 19 19 CYS HA H 19 5.111 5.111 4.312 0.799 19288 5811 1 14 . 1 1 19 19 CYS C C 19 176.019 176.019 176.665 -0.646 19288 5812 1 14 . 1 1 19 19 CYS CA C 19 58.721 58.721 61.507 -2.786 19288 5813 1 14 . 1 1 19 19 CYS CB C 19 32.573 32.573 27.284 5.289 19288 5814 1 14 . 1 1 19 19 CYS H H 19 7.999 7.999 8.310 -0.311 19288 5815 1 14 . 1 1 20 20 ALA N N 20 122.058 122.058 122.091 -0.033 19288 5816 1 14 . 1 1 20 20 ALA HA H 20 4.140 4.140 3.267 0.873 19288 5817 1 14 . 1 1 20 20 ALA C C 20 177.014 177.014 178.385 -1.371 19288 5818 1 14 . 1 1 20 20 ALA CA C 20 54.584 54.584 54.388 0.196 19288 5819 1 14 . 1 1 20 20 ALA CB C 20 17.127 17.127 18.325 -1.198 19288 5820 1 14 . 1 1 20 20 ALA H H 20 8.067 8.067 7.378 0.689 19288 5821 1 14 . 1 1 21 21 ARG N N 21 121.286 121.286 119.738 1.548 19288 5822 1 14 . 1 1 21 21 ARG HA H 21 4.003 4.003 3.956 0.047 19288 5823 1 14 . 1 1 21 21 ARG C C 21 175.133 175.133 178.381 -3.248 19288 5824 1 14 . 1 1 21 21 ARG CA C 21 58.236 58.236 59.163 -0.927 19288 5825 1 14 . 1 1 21 21 ARG CB C 21 31.677 31.677 29.297 2.380 19288 5826 1 14 . 1 1 21 21 ARG H H 21 7.947 7.947 7.948 -0.001 19288 5827 1 14 . 1 1 22 22 ALA N N 22 123.966 123.966 120.581 3.385 19288 5828 1 14 . 1 1 22 22 ALA HA H 22 5.008 5.008 3.712 1.296 19288 5829 1 14 . 1 1 22 22 ALA C C 22 175.750 175.750 179.197 -3.447 19288 5830 1 14 . 1 1 22 22 ALA CA C 22 50.811 50.811 55.997 -5.186 19288 5831 1 14 . 1 1 22 22 ALA CB C 22 21.928 21.928 18.892 3.036 19288 5832 1 14 . 1 1 22 22 ALA H H 22 7.968 7.968 7.393 0.575 19288 5833 1 14 . 1 1 23 23 PHE N N 23 118.728 118.728 119.708 -0.980 19288 5834 1 14 . 1 1 23 23 PHE HA H 23 4.678 4.678 4.177 0.501 19288 5835 1 14 . 1 1 23 23 PHE C C 23 173.852 173.852 178.174 -4.322 19288 5836 1 14 . 1 1 23 23 PHE CA C 23 57.367 57.367 61.585 -4.218 19288 5837 1 14 . 1 1 23 23 PHE CB C 23 43.458 43.458 39.210 4.248 19288 5838 1 14 . 1 1 23 23 PHE H H 23 9.004 9.004 7.707 1.297 19288 5839 1 14 . 1 1 24 24 LYS N N 24 119.176 119.176 117.620 1.556 19288 5840 1 14 . 1 1 24 24 LYS HA H 24 4.709 4.709 3.798 0.911 19288 5841 1 14 . 1 1 24 24 LYS C C 24 176.934 176.934 178.622 -1.688 19288 5842 1 14 . 1 1 24 24 LYS CA C 24 56.482 56.482 58.465 -1.983 19288 5843 1 14 . 1 1 24 24 LYS CB C 24 33.111 33.111 31.837 1.274 19288 5844 1 14 . 1 1 24 24 LYS H H 24 9.211 9.211 8.271 0.940 19288 5845 1 14 . 1 1 25 25 SER N N 25 110.950 110.950 116.375 -5.425 19288 5846 1 14 . 1 1 25 25 SER HA H 25 4.566 4.566 4.210 0.356 19288 5847 1 14 . 1 1 25 25 SER C C 25 175.671 175.671 174.900 0.771 19288 5848 1 14 . 1 1 25 25 SER CA C 25 55.683 55.683 61.052 -5.369 19288 5849 1 14 . 1 1 25 25 SER CB C 25 66.490 66.490 63.428 3.062 19288 5850 1 14 . 1 1 25 25 SER H H 25 7.474 7.474 7.536 -0.062 19288 5851 1 14 . 1 1 26 26 SER N N 26 119.411 119.411 110.840 8.571 19288 5852 1 14 . 1 1 26 26 SER C C 26 176.269 176.269 175.519 0.750 19288 5853 1 14 . 1 1 26 26 SER CA C 26 60.616 60.616 58.725 1.891 19288 5854 1 14 . 1 1 26 26 SER CB C 26 61.758 61.758 61.430 0.328 19288 5855 1 14 . 1 1 26 26 SER H H 26 8.487 8.487 7.287 1.200 19288 5856 1 14 . 1 1 27 27 HIS HA H 27 4.258 4.258 4.610 -0.352 19288 5857 1 14 . 1 1 27 27 HIS C C 27 173.658 173.658 176.384 -2.726 19288 5858 1 14 . 1 1 27 27 HIS CA C 27 59.581 59.581 54.796 4.785 19288 5859 1 14 . 1 1 27 27 HIS CB C 27 29.913 29.913 28.913 1.000 19288 5860 1 14 . 1 1 28 28 ASN N N 28 117.126 117.126 116.787 0.339 19288 5861 1 14 . 1 1 28 28 ASN HA H 28 4.216 4.216 4.567 -0.351 19288 5862 1 14 . 1 1 28 28 ASN CA C 28 55.547 55.547 53.076 2.471 19288 5863 1 14 . 1 1 28 28 ASN CB C 28 37.634 37.634 36.220 1.414 19288 5864 1 14 . 1 1 28 28 ASN H H 28 7.681 7.681 7.636 0.045 19288 5865 1 14 . 1 1 29 29 LEU N N 29 121.121 121.121 123.833 -2.712 19288 5866 1 14 . 1 1 29 29 LEU HA H 29 3.177 3.177 4.052 -0.875 19288 5867 1 14 . 1 1 29 29 LEU C C 29 176.205 176.205 176.597 -0.392 19288 5868 1 14 . 1 1 29 29 LEU CA C 29 57.893 57.893 54.905 2.988 19288 5869 1 14 . 1 1 29 29 LEU H H 29 7.300 7.300 7.962 -0.662 19288 5870 1 14 . 1 1 30 30 ALA N N 30 122.058 122.058 123.237 -1.179 19288 5871 1 14 . 1 1 30 30 ALA HA H 30 3.917 3.917 4.282 -0.365 19288 5872 1 14 . 1 1 30 30 ALA C C 30 178.363 178.363 176.894 1.469 19288 5873 1 14 . 1 1 30 30 ALA CA C 30 55.487 55.487 52.064 3.423 19288 5874 1 14 . 1 1 30 30 ALA CB C 30 17.947 17.947 18.445 -0.498 19288 5875 1 14 . 1 1 30 30 ALA H H 30 7.987 7.987 8.451 -0.464 19288 5876 1 14 . 1 1 31 31 VAL N N 31 116.442 116.442 116.030 0.412 19288 5877 1 14 . 1 1 31 31 VAL HA H 31 3.556 3.556 4.308 -0.752 19288 5878 1 14 . 1 1 31 31 VAL C C 31 176.352 176.352 173.883 2.469 19288 5879 1 14 . 1 1 31 31 VAL CA C 31 65.936 65.936 60.742 5.194 19288 5880 1 14 . 1 1 31 31 VAL CB C 31 32.281 32.281 30.918 1.363 19288 5881 1 14 . 1 1 31 31 VAL H H 31 7.636 7.636 7.338 0.298 19288 5882 1 14 . 1 1 32 32 HIS HA H 32 4.125 4.125 4.454 -0.329 19288 5883 1 14 . 1 1 32 32 HIS C C 32 180.696 180.696 174.657 6.039 19288 5884 1 14 . 1 1 32 32 HIS CA C 32 59.377 59.377 56.783 2.594 19288 5885 1 14 . 1 1 32 32 HIS CB C 32 28.332 28.332 30.359 -2.027 19288 5886 1 14 . 1 1 33 33 ARG N N 33 115.795 115.795 120.444 -4.649 19288 5887 1 14 . 1 1 33 33 ARG HA H 33 3.658 3.658 4.608 -0.950 19288 5888 1 14 . 1 1 33 33 ARG C C 33 178.735 178.735 174.878 3.857 19288 5889 1 14 . 1 1 33 33 ARG CA C 33 60.012 60.012 54.834 5.178 19288 5890 1 14 . 1 1 33 33 ARG CB C 33 31.144 31.144 30.716 0.428 19288 5891 1 14 . 1 1 33 33 ARG H H 33 8.633 8.633 7.910 0.723 19288 5892 1 14 . 1 1 34 34 MET N N 34 115.672 115.672 121.979 -6.307 19288 5893 1 14 . 1 1 34 34 MET HA H 34 4.211 4.211 4.888 -0.677 19288 5894 1 14 . 1 1 34 34 MET C C 34 176.427 176.427 175.184 1.243 19288 5895 1 14 . 1 1 34 34 MET CA C 34 57.866 57.866 53.984 3.882 19288 5896 1 14 . 1 1 34 34 MET CB C 34 32.221 32.221 34.570 -2.349 19288 5897 1 14 . 1 1 34 34 MET H H 34 7.057 7.057 8.389 -1.332 19288 5898 1 14 . 1 1 35 35 ILE N N 35 116.381 116.381 129.638 -13.257 19288 5899 1 14 . 1 1 35 35 ILE HA H 35 3.904 3.904 4.213 -0.309 19288 5900 1 14 . 1 1 35 35 ILE C C 35 177.504 177.504 174.580 2.924 19288 5901 1 14 . 1 1 35 35 ILE CA C 35 63.402 63.402 60.937 2.465 19288 5902 1 14 . 1 1 35 35 ILE CB C 35 37.724 37.724 37.862 -0.138 19288 5903 1 14 . 1 1 35 35 ILE H H 35 7.811 7.811 8.716 -0.905 19288 5904 1 14 . 1 1 36 36 HIS N N 36 117.423 117.423 127.254 -9.831 19288 5905 1 14 . 1 1 36 36 HIS HA H 36 4.481 4.481 4.750 -0.269 19288 5906 1 14 . 1 1 36 36 HIS C C 36 178.413 178.413 173.427 4.986 19288 5907 1 14 . 1 1 36 36 HIS CA C 36 55.260 55.260 55.873 -0.613 19288 5908 1 14 . 1 1 36 36 HIS CB C 36 28.066 28.066 28.879 -0.813 19288 5909 1 14 . 1 1 36 36 HIS H H 36 7.247 7.247 8.773 -1.526 19288 5910 1 14 . 1 1 37 37 THR N N 37 110.804 110.804 118.332 -7.528 19288 5911 1 14 . 1 1 37 37 THR HA H 37 4.160 4.160 4.393 -0.233 19288 5912 1 14 . 1 1 37 37 THR C C 37 177.179 177.179 173.944 3.235 19288 5913 1 14 . 1 1 37 37 THR CA C 37 62.791 62.791 62.814 -0.023 19288 5914 1 14 . 1 1 37 37 THR CB C 37 69.712 69.712 71.096 -1.384 19288 5915 1 14 . 1 1 37 37 THR H H 37 7.553 7.553 7.956 -0.403 19288 5916 1 14 . 1 1 38 38 GLY N N 38 110.842 110.842 110.593 0.249 19288 5917 1 14 . 1 1 38 38 GLY C C 38 175.821 175.821 174.816 1.005 19288 5918 1 14 . 1 1 38 38 GLY CA C 38 45.403 45.403 42.924 2.479 19288 5919 1 14 . 1 1 38 38 GLY H H 38 8.195 8.195 7.515 0.680 19288 5920 1 14 . 1 1 39 39 GLU N N 39 120.441 120.441 124.250 -3.809 19288 5921 1 14 . 1 1 39 39 GLU HA H 39 4.238 4.238 4.431 -0.194 19288 5922 1 14 . 1 1 39 39 GLU C C 39 175.390 175.390 175.436 -0.046 19288 5923 1 14 . 1 1 39 39 GLU CA C 39 56.572 56.572 57.812 -1.240 19288 5924 1 14 . 1 1 39 39 GLU H H 39 7.953 7.953 8.702 -0.749 19288 5925 1 14 . 1 1 40 40 LYS N N 40 123.624 123.624 127.766 -4.142 19288 5926 1 14 . 1 1 40 40 LYS HA H 40 4.534 4.534 4.514 0.020 19288 5927 1 14 . 1 1 40 40 LYS C C 40 174.124 174.124 174.076 0.048 19288 5928 1 14 . 1 1 40 40 LYS CA C 40 54.236 54.236 55.145 -0.909 19288 5929 1 14 . 1 1 40 40 LYS CB C 40 32.769 32.769 36.236 -3.467 19288 5930 1 14 . 1 1 40 40 LYS H H 40 8.321 8.321 9.235 -0.914 19288 5931 1 14 . 1 1 41 41 PRO HA H 41 4.404 4.404 5.162 -0.758 19288 5932 1 14 . 1 1 41 41 PRO C C 41 176.103 176.103 175.917 0.186 19288 5933 1 14 . 1 1 41 41 PRO CA C 41 63.174 63.174 62.324 0.850 19288 5934 1 14 . 1 1 41 41 PRO CB C 41 32.306 32.306 32.801 -0.495 19288 5935 1 14 . 1 1 42 42 LEU N N 42 122.177 122.177 125.819 -3.642 19288 5936 1 14 . 1 1 42 42 LEU HA H 42 4.381 4.381 4.588 -0.207 19288 5937 1 14 . 1 1 42 42 LEU CA C 42 54.626 54.626 52.648 1.978 19288 5938 1 14 . 1 1 42 42 LEU CB C 42 42.719 42.719 45.914 -3.196 19288 5939 1 14 . 1 1 42 42 LEU H H 42 8.293 8.293 8.413 -0.120 19288 5940 1 14 . 1 1 43 43 GLN N N 43 119.188 119.188 118.626 0.562 19288 5941 1 14 . 1 1 43 43 GLN HA H 43 5.181 5.181 4.210 0.971 19288 5942 1 14 . 1 1 43 43 GLN C C 43 176.325 176.325 175.133 1.192 19288 5943 1 14 . 1 1 43 43 GLN CA C 43 53.898 53.898 56.203 -2.305 19288 5944 1 14 . 1 1 43 43 GLN CB C 43 32.969 32.969 28.764 4.205 19288 5945 1 14 . 1 1 43 43 GLN H H 43 8.180 8.180 8.543 -0.363 19288 5946 1 14 . 1 1 44 44 CYS N N 44 127.346 127.346 118.739 8.607 19288 5947 1 14 . 1 1 44 44 CYS HA H 44 4.453 4.453 4.672 -0.219 19288 5948 1 14 . 1 1 44 44 CYS C C 44 175.677 175.677 175.019 0.658 19288 5949 1 14 . 1 1 44 44 CYS CA C 44 59.437 59.437 57.618 1.819 19288 5950 1 14 . 1 1 44 44 CYS CB C 44 30.721 30.721 28.652 2.068 19288 5951 1 14 . 1 1 44 44 CYS H H 44 9.299 9.299 7.724 1.575 19288 5952 1 14 . 1 1 45 45 GLU N N 45 131.846 131.846 124.516 7.330 19288 5953 1 14 . 1 1 45 45 GLU HA H 45 4.178 4.178 3.995 0.183 19288 5954 1 14 . 1 1 45 45 GLU C C 45 174.655 174.655 177.763 -3.108 19288 5955 1 14 . 1 1 45 45 GLU CA C 45 58.342 58.342 59.463 -1.121 19288 5956 1 14 . 1 1 45 45 GLU CB C 45 29.819 29.819 29.293 0.526 19288 5957 1 14 . 1 1 45 45 GLU H H 45 9.602 9.602 8.925 0.677 19288 5958 1 14 . 1 1 46 46 ILE N N 46 121.898 121.898 120.115 1.783 19288 5959 1 14 . 1 1 46 46 ILE HA H 46 3.840 3.840 4.036 -0.196 19288 5960 1 14 . 1 1 46 46 ILE C C 46 177.404 177.404 178.336 -0.932 19288 5961 1 14 . 1 1 46 46 ILE CA C 46 63.494 63.494 63.957 -0.463 19288 5962 1 14 . 1 1 46 46 ILE CB C 46 38.461 38.461 36.701 1.760 19288 5963 1 14 . 1 1 46 46 ILE H H 46 8.973 8.973 8.426 0.547 19288 5964 1 14 . 1 1 47 47 CYS N N 47 117.274 117.274 118.029 -0.755 19288 5965 1 14 . 1 1 47 47 CYS HA H 47 5.231 5.231 4.513 0.718 19288 5966 1 14 . 1 1 47 47 CYS C C 47 176.087 176.087 176.622 -0.535 19288 5967 1 14 . 1 1 47 47 CYS CA C 47 58.455 58.455 61.694 -3.239 19288 5968 1 14 . 1 1 47 47 CYS CB C 47 33.590 33.590 27.717 5.873 19288 5969 1 14 . 1 1 47 47 CYS H H 47 8.432 8.432 7.490 0.942 19288 5970 1 14 . 1 1 48 48 GLY N N 48 112.655 112.655 109.385 3.270 19288 5971 1 14 . 1 1 48 48 GLY C C 48 177.177 177.177 176.982 0.195 19288 5972 1 14 . 1 1 48 48 GLY CA C 48 46.253 46.253 47.924 -1.671 19288 5973 1 14 . 1 1 48 48 GLY H H 48 8.016 8.016 7.551 0.465 19288 5974 1 14 . 1 1 49 49 PHE N N 49 125.000 125.000 120.430 4.570 19288 5975 1 14 . 1 1 49 49 PHE HA H 49 4.272 4.272 4.185 0.087 19288 5976 1 14 . 1 1 49 49 PHE C C 49 176.313 176.313 178.003 -1.690 19288 5977 1 14 . 1 1 49 49 PHE CA C 49 59.750 59.750 61.486 -1.736 19288 5978 1 14 . 1 1 49 49 PHE CB C 49 41.278 41.278 38.701 2.577 19288 5979 1 14 . 1 1 49 49 PHE H H 49 8.333 8.333 8.652 -0.319 19288 5980 1 14 . 1 1 50 50 THR N N 50 118.297 118.297 112.474 5.823 19288 5981 1 14 . 1 1 50 50 THR HA H 50 5.150 5.150 4.297 0.853 19288 5982 1 14 . 1 1 50 50 THR C C 50 173.480 173.480 176.256 -2.776 19288 5983 1 14 . 1 1 50 50 THR CA C 50 59.186 59.186 62.817 -3.631 19288 5984 1 14 . 1 1 50 50 THR CB C 50 71.954 71.954 67.665 4.289 19288 5985 1 14 . 1 1 50 50 THR H H 50 7.336 7.336 7.571 -0.235 19288 5986 1 14 . 1 1 51 51 CYS N N 51 115.101 115.101 121.885 -6.784 19288 5987 1 14 . 1 1 51 51 CYS HA H 51 4.540 4.540 3.304 1.236 19288 5988 1 14 . 1 1 51 51 CYS C C 51 173.381 173.381 177.586 -4.205 19288 5989 1 14 . 1 1 51 51 CYS CA C 51 56.305 56.305 62.718 -6.413 19288 5990 1 14 . 1 1 51 51 CYS CB C 51 30.578 30.578 27.595 2.983 19288 5991 1 14 . 1 1 51 51 CYS H H 51 8.318 8.318 7.034 1.284 19288 5992 1 14 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.146 0.420 19288 5993 1 14 . 1 1 52 52 ARG C C 52 172.494 172.494 177.525 -5.031 19288 5994 1 14 . 1 1 52 52 ARG CA C 52 56.923 56.923 59.849 -2.926 19288 5995 1 14 . 1 1 52 52 ARG CB C 52 31.891 31.891 30.401 1.490 19288 5996 1 14 . 1 1 53 53 GLN N N 53 115.534 115.534 118.559 -3.025 19288 5997 1 14 . 1 1 53 53 GLN HA H 53 4.719 4.719 4.000 0.719 19288 5998 1 14 . 1 1 53 53 GLN CA C 53 54.637 54.637 58.798 -4.161 19288 5999 1 14 . 1 1 53 53 GLN CB C 53 30.904 30.904 28.214 2.690 19288 6000 1 14 . 1 1 53 53 GLN H H 53 7.649 7.649 7.766 -0.117 19288 6001 1 14 . 1 1 54 54 LYS N N 54 127.065 127.065 117.741 9.324 19288 6002 1 14 . 1 1 54 54 LYS HA H 54 3.771 3.771 4.047 -0.276 19288 6003 1 14 . 1 1 54 54 LYS C C 54 176.035 176.035 177.852 -1.817 19288 6004 1 14 . 1 1 54 54 LYS CA C 54 59.833 59.833 58.170 1.663 19288 6005 1 14 . 1 1 54 54 LYS CB C 54 32.087 32.087 31.707 0.380 19288 6006 1 14 . 1 1 54 54 LYS H H 54 9.132 9.132 7.356 1.776 19288 6007 1 14 . 1 1 55 55 ALA N N 55 120.230 120.230 120.484 -0.254 19288 6008 1 14 . 1 1 55 55 ALA HA H 55 4.135 4.135 4.548 -0.413 19288 6009 1 14 . 1 1 55 55 ALA C C 55 176.728 176.728 180.044 -3.316 19288 6010 1 14 . 1 1 55 55 ALA CA C 55 55.456 55.456 54.728 0.728 19288 6011 1 14 . 1 1 55 55 ALA CB C 55 18.224 18.224 19.331 -1.107 19288 6012 1 14 . 1 1 55 55 ALA H H 55 9.016 9.016 7.304 1.712 19288 6013 1 14 . 1 1 56 56 SER N N 56 112.225 112.225 116.206 -3.981 19288 6014 1 14 . 1 1 56 56 SER HA H 56 4.509 4.509 4.326 0.183 19288 6015 1 14 . 1 1 56 56 SER C C 56 178.309 178.309 176.169 2.140 19288 6016 1 14 . 1 1 56 56 SER CA C 56 61.172 61.172 60.506 0.666 19288 6017 1 14 . 1 1 56 56 SER CB C 56 62.925 62.925 63.524 -0.599 19288 6018 1 14 . 1 1 56 56 SER H H 56 7.097 7.097 8.195 -1.098 19288 6019 1 14 . 1 1 57 57 LEU N N 57 126.317 126.317 119.089 7.228 19288 6020 1 14 . 1 1 57 57 LEU HA H 57 4.327 4.327 4.159 0.168 19288 6021 1 14 . 1 1 57 57 LEU C C 57 180.642 180.642 176.923 3.719 19288 6022 1 14 . 1 1 57 57 LEU CA C 57 58.038 58.038 56.217 1.821 19288 6023 1 14 . 1 1 57 57 LEU CB C 57 41.443 41.443 42.545 -1.102 19288 6024 1 14 . 1 1 57 57 LEU H H 57 7.667 7.667 7.679 -0.012 19288 6025 1 14 . 1 1 58 58 ASN N N 58 118.325 118.325 112.320 6.005 19288 6026 1 14 . 1 1 58 58 ASN HA H 58 4.364 4.364 4.811 -0.447 19288 6027 1 14 . 1 1 58 58 ASN C C 58 176.770 176.770 176.332 0.438 19288 6028 1 14 . 1 1 58 58 ASN CA C 58 56.457 56.457 53.959 2.498 19288 6029 1 14 . 1 1 58 58 ASN CB C 58 37.852 37.852 37.855 -0.003 19288 6030 1 14 . 1 1 58 58 ASN H H 58 8.533 8.533 7.852 0.681 19288 6031 1 14 . 1 1 59 59 TRP N N 59 119.802 119.802 120.024 -0.222 19288 6032 1 14 . 1 1 59 59 TRP HA H 59 4.349 4.349 4.424 -0.075 19288 6033 1 14 . 1 1 59 59 TRP C C 59 178.160 178.160 177.309 0.851 19288 6034 1 14 . 1 1 59 59 TRP CA C 59 60.432 60.432 60.083 0.349 19288 6035 1 14 . 1 1 59 59 TRP CB C 59 29.304 29.304 29.281 0.023 19288 6036 1 14 . 1 1 59 59 TRP H H 59 7.914 7.914 8.154 -0.240 19288 6037 1 14 . 1 1 60 60 HIS N N 60 119.175 119.175 119.298 -0.123 19288 6038 1 14 . 1 1 60 60 HIS HA H 60 3.675 3.675 4.198 -0.523 19288 6039 1 14 . 1 1 60 60 HIS C C 60 174.721 174.721 173.806 0.915 19288 6040 1 14 . 1 1 60 60 HIS CA C 60 60.038 60.038 57.246 2.792 19288 6041 1 14 . 1 1 60 60 HIS CB C 60 28.143 28.143 30.239 -2.096 19288 6042 1 14 . 1 1 60 60 HIS H H 60 8.131 8.131 7.718 0.413 19288 6043 1 14 . 1 1 61 61 MET N N 61 114.602 114.602 115.445 -0.843 19288 6044 1 14 . 1 1 61 61 MET HA H 61 4.127 4.127 4.349 -0.222 19288 6045 1 14 . 1 1 61 61 MET C C 61 178.337 178.337 176.947 1.390 19288 6046 1 14 . 1 1 61 61 MET CA C 61 57.177 57.177 56.268 0.909 19288 6047 1 14 . 1 1 61 61 MET CB C 61 30.085 30.085 33.600 -3.515 19288 6048 1 14 . 1 1 61 61 MET H H 61 8.448 8.448 7.803 0.645 19288 6049 1 14 . 1 1 62 62 LYS N N 62 118.858 118.858 114.886 3.972 19288 6050 1 14 . 1 1 62 62 LYS HA H 62 3.998 3.998 3.887 0.111 19288 6051 1 14 . 1 1 62 62 LYS C C 62 176.716 176.716 175.287 1.429 19288 6052 1 14 . 1 1 62 62 LYS CA C 62 58.512 58.512 58.742 -0.230 19288 6053 1 14 . 1 1 62 62 LYS CB C 62 31.694 31.694 31.577 0.117 19288 6054 1 14 . 1 1 62 62 LYS H H 62 7.285 7.285 8.441 -1.156 19288 6055 1 14 . 1 1 63 63 LYS N N 63 117.683 117.683 119.673 -1.990 19288 6056 1 14 . 1 1 63 63 LYS HA H 63 3.793 3.793 4.545 -0.752 19288 6057 1 14 . 1 1 63 63 LYS C C 63 179.150 179.150 175.066 4.084 19288 6058 1 14 . 1 1 63 63 LYS CA C 63 57.827 57.827 54.766 3.061 19288 6059 1 14 . 1 1 63 63 LYS CB C 63 31.272 31.272 35.557 -4.285 19288 6060 1 14 . 1 1 63 63 LYS H H 63 7.516 7.516 7.897 -0.381 19288 6061 1 14 . 1 1 64 64 HIS N N 64 115.200 115.200 120.035 -4.835 19288 6062 1 14 . 1 1 64 64 HIS HA H 64 4.708 4.708 4.877 -0.169 19288 6063 1 14 . 1 1 64 64 HIS C C 64 178.727 178.727 173.901 4.826 19288 6064 1 14 . 1 1 64 64 HIS CA C 64 55.628 55.628 54.702 0.926 19288 6065 1 14 . 1 1 64 64 HIS CB C 64 28.782 28.782 31.879 -3.097 19288 6066 1 14 . 1 1 64 64 HIS H H 64 7.155 7.155 8.548 -1.393 19288 6067 1 14 . 1 1 65 65 ASP N N 65 120.441 120.441 122.511 -2.070 19288 6068 1 14 . 1 1 65 65 ASP HA H 65 4.503 4.503 4.916 -0.413 19288 6069 1 14 . 1 1 65 65 ASP C C 65 177.648 177.648 177.460 0.188 19288 6070 1 14 . 1 1 65 65 ASP CA C 65 55.296 55.296 53.226 2.070 19288 6071 1 14 . 1 1 65 65 ASP CB C 65 41.122 41.122 42.150 -1.028 19288 6072 1 14 . 1 1 65 65 ASP H H 65 7.653 7.653 8.631 -0.978 19288 6073 1 14 . 1 1 66 66 ALA N N 66 123.184 123.184 129.777 -6.593 19288 6074 1 14 . 1 1 66 66 ALA HA H 66 4.141 4.141 4.119 0.022 19288 6075 1 14 . 1 1 66 66 ALA C C 66 175.172 175.172 178.725 -3.553 19288 6076 1 14 . 1 1 66 66 ALA CA C 66 53.693 53.693 55.053 -1.360 19288 6077 1 14 . 1 1 66 66 ALA CB C 66 19.049 19.049 19.190 -0.141 19288 6078 1 14 . 1 1 66 66 ALA H H 66 8.088 8.088 8.656 -0.568 19288 6079 1 14 . 1 1 67 67 ASP N N 67 117.608 117.608 118.908 -1.300 19288 6080 1 14 . 1 1 67 67 ASP HA H 67 4.175 4.175 4.480 -0.305 19288 6081 1 14 . 1 1 67 67 ASP C C 67 176.687 176.687 176.591 0.096 19288 6082 1 14 . 1 1 67 67 ASP CA C 67 54.842 54.842 54.984 -0.142 19288 6083 1 14 . 1 1 67 67 ASP CB C 67 40.957 40.957 41.332 -0.375 19288 6084 1 14 . 1 1 67 67 ASP H H 67 7.999 7.999 8.249 -0.250 19288 6085 1 14 . 1 1 68 68 SER N N 68 114.794 114.794 113.907 0.887 19288 6086 1 14 . 1 1 68 68 SER HA H 68 4.145 4.145 4.798 -0.653 19288 6087 1 14 . 1 1 68 68 SER C C 68 178.056 178.056 174.759 3.297 19288 6088 1 14 . 1 1 68 68 SER CA C 68 59.397 59.397 55.995 3.401 19288 6089 1 14 . 1 1 68 68 SER CB C 68 63.682 63.682 63.473 0.209 19288 6090 1 14 . 1 1 68 68 SER H H 68 7.797 7.797 7.850 -0.053 19288 6091 1 14 . 1 1 69 69 PHE N N 69 120.277 120.277 122.270 -1.993 19288 6092 1 14 . 1 1 69 69 PHE HA H 69 4.474 4.474 4.623 -0.149 19288 6093 1 14 . 1 1 69 69 PHE C C 69 176.959 176.959 174.694 2.265 19288 6094 1 14 . 1 1 69 69 PHE CA C 69 58.048 58.048 57.896 0.152 19288 6095 1 14 . 1 1 69 69 PHE H H 69 7.850 7.850 8.594 -0.744 19288 6096 1 14 . 1 1 70 70 TYR N N 70 121.023 121.023 120.856 0.167 19288 6097 1 14 . 1 1 70 70 TYR HA H 70 4.494 4.494 4.062 0.432 19288 6098 1 14 . 1 1 70 70 TYR C C 70 174.330 174.330 175.078 -0.748 19288 6099 1 14 . 1 1 70 70 TYR CA C 70 56.491 56.491 57.466 -0.975 19288 6100 1 14 . 1 1 70 70 TYR CB C 70 37.727 37.727 39.201 -1.474 19288 6101 1 14 . 1 1 70 70 TYR H H 70 7.818 7.818 8.203 -0.385 19288 6102 1 14 . 1 1 71 71 GLN N N 71 119.046 119.046 118.408 0.638 19288 6103 1 14 . 1 1 71 71 GLN HA H 71 4.085 4.085 4.103 -0.018 19288 6104 1 14 . 1 1 71 71 GLN C C 71 175.830 175.830 174.218 1.612 19288 6105 1 14 . 1 1 71 71 GLN CA C 71 56.485 56.485 56.343 0.142 19288 6106 1 14 . 1 1 71 71 GLN CB C 71 30.291 30.291 25.756 4.535 19288 6107 1 14 . 1 1 71 71 GLN H H 71 8.352 8.352 8.022 0.330 19288 6108 1 14 . 1 1 72 72 PHE N N 72 117.779 117.779 120.107 -2.328 19288 6109 1 14 . 1 1 72 72 PHE HA H 72 4.850 4.850 4.703 0.147 19288 6110 1 14 . 1 1 72 72 PHE C C 72 176.323 176.323 176.224 0.099 19288 6111 1 14 . 1 1 72 72 PHE CA C 72 57.157 57.157 56.042 1.115 19288 6112 1 14 . 1 1 72 72 PHE CB C 72 41.106 41.106 42.564 -1.458 19288 6113 1 14 . 1 1 72 72 PHE H H 72 7.901 7.901 7.555 0.346 19288 6114 1 14 . 1 1 73 73 SER N N 73 114.707 114.707 117.398 -2.691 19288 6115 1 14 . 1 1 73 73 SER HA H 73 5.469 5.469 4.239 1.230 19288 6116 1 14 . 1 1 73 73 SER C C 73 175.151 175.151 174.297 0.854 19288 6117 1 14 . 1 1 73 73 SER CA C 73 57.026 57.026 60.138 -3.112 19288 6118 1 14 . 1 1 73 73 SER CB C 73 65.963 65.963 63.656 2.307 19288 6119 1 14 . 1 1 73 73 SER H H 73 8.744 8.744 8.877 -0.133 19288 6120 1 14 . 1 1 74 74 CYS N N 74 124.143 124.143 116.539 7.604 19288 6121 1 14 . 1 1 74 74 CYS HA H 74 4.391 4.391 4.775 -0.384 19288 6122 1 14 . 1 1 74 74 CYS C C 74 174.848 174.848 175.579 -0.731 19288 6123 1 14 . 1 1 74 74 CYS CA C 74 59.743 59.743 57.658 2.085 19288 6124 1 14 . 1 1 74 74 CYS CB C 74 30.581 30.581 29.786 0.795 19288 6125 1 14 . 1 1 74 74 CYS H H 74 9.154 9.154 7.805 1.349 19288 6126 1 14 . 1 1 75 75 ASN HA H 75 4.501 4.501 4.348 0.153 19288 6127 1 14 . 1 1 75 75 ASN C C 75 173.664 173.664 177.031 -3.367 19288 6128 1 14 . 1 1 75 75 ASN CA C 75 55.316 55.316 55.389 -0.073 19288 6129 1 14 . 1 1 75 75 ASN CB C 75 36.774 36.774 37.703 -0.930 19288 6130 1 14 . 1 1 76 76 ILE N N 76 123.143 123.143 119.232 3.911 19288 6131 1 14 . 1 1 76 76 ILE HA H 76 3.908 3.908 3.930 -0.022 19288 6132 1 14 . 1 1 76 76 ILE CA C 76 63.223 63.223 64.600 -1.377 19288 6133 1 14 . 1 1 76 76 ILE CB C 76 38.269 38.269 37.998 0.271 19288 6134 1 14 . 1 1 76 76 ILE H H 76 8.921 8.921 8.305 0.616 19288 6135 1 14 . 1 1 77 77 CYS N N 77 116.298 116.298 118.361 -2.063 19288 6136 1 14 . 1 1 77 77 CYS HA H 77 5.159 5.159 3.975 1.184 19288 6137 1 14 . 1 1 77 77 CYS C C 77 174.401 174.401 176.568 -2.167 19288 6138 1 14 . 1 1 77 77 CYS CA C 77 58.394 58.394 61.627 -3.233 19288 6139 1 14 . 1 1 77 77 CYS CB C 77 32.743 32.743 27.172 5.572 19288 6140 1 14 . 1 1 77 77 CYS H H 77 8.243 8.243 7.481 0.762 19288 6141 1 14 . 1 1 78 78 GLY N N 78 113.607 113.607 111.460 2.147 19288 6142 1 14 . 1 1 78 78 GLY C C 78 176.862 176.862 175.482 1.380 19288 6143 1 14 . 1 1 78 78 GLY CA C 78 46.321 46.321 47.906 -1.585 19288 6144 1 14 . 1 1 78 78 GLY H H 78 8.060 8.060 7.343 0.717 19288 6145 1 14 . 1 1 79 79 LYS N N 79 123.134 123.134 120.131 3.003 19288 6146 1 14 . 1 1 79 79 LYS HA H 79 3.950 3.950 3.802 0.148 19288 6147 1 14 . 1 1 79 79 LYS C C 79 176.484 176.484 178.006 -1.522 19288 6148 1 14 . 1 1 79 79 LYS CA C 79 58.342 58.342 60.581 -2.239 19288 6149 1 14 . 1 1 79 79 LYS CB C 79 33.770 33.770 31.342 2.428 19288 6150 1 14 . 1 1 79 79 LYS H H 79 7.977 7.977 7.505 0.472 19288 6151 1 14 . 1 1 80 80 LYS N N 80 121.440 121.440 119.927 1.513 19288 6152 1 14 . 1 1 80 80 LYS HA H 80 4.884 4.884 4.016 0.868 19288 6153 1 14 . 1 1 80 80 LYS C C 80 173.961 173.961 178.484 -4.523 19288 6154 1 14 . 1 1 80 80 LYS CA C 80 55.524 55.524 59.389 -3.865 19288 6155 1 14 . 1 1 80 80 LYS CB C 80 35.024 35.024 31.540 3.484 19288 6156 1 14 . 1 1 80 80 LYS H H 80 7.918 7.918 7.457 0.461 19288 6157 1 14 . 1 1 81 81 PHE N N 81 116.724 116.724 119.664 -2.940 19288 6158 1 14 . 1 1 81 81 PHE HA H 81 4.598 4.598 4.284 0.314 19288 6159 1 14 . 1 1 81 81 PHE C C 81 174.541 174.541 178.008 -3.467 19288 6160 1 14 . 1 1 81 81 PHE CA C 81 57.359 57.359 62.082 -4.723 19288 6161 1 14 . 1 1 81 81 PHE CB C 81 44.738 44.738 39.306 5.431 19288 6162 1 14 . 1 1 81 81 PHE H H 81 8.725 8.725 7.656 1.069 19288 6163 1 14 . 1 1 82 82 GLU N N 82 120.474 120.474 120.210 0.264 19288 6164 1 14 . 1 1 82 82 GLU HA H 82 4.155 4.155 4.265 -0.110 19288 6165 1 14 . 1 1 82 82 GLU C C 82 175.832 175.832 178.715 -2.883 19288 6166 1 14 . 1 1 82 82 GLU CA C 82 57.900 57.900 59.572 -1.672 19288 6167 1 14 . 1 1 82 82 GLU CB C 82 30.829 30.829 29.855 0.974 19288 6168 1 14 . 1 1 82 82 GLU H H 82 8.775 8.775 8.713 0.062 19288 6169 1 14 . 1 1 83 83 LYS N N 83 114.607 114.607 116.926 -2.319 19288 6170 1 14 . 1 1 83 83 LYS HA H 83 4.607 4.607 4.191 0.416 19288 6171 1 14 . 1 1 83 83 LYS C C 83 174.585 174.585 177.039 -2.454 19288 6172 1 14 . 1 1 83 83 LYS CA C 83 54.369 54.369 58.583 -4.213 19288 6173 1 14 . 1 1 83 83 LYS CB C 83 35.540 35.540 32.196 3.344 19288 6174 1 14 . 1 1 83 83 LYS H H 83 7.547 7.547 7.896 -0.349 19288 6175 1 14 . 1 1 84 84 LYS N N 84 124.921 124.921 115.988 8.933 19288 6176 1 14 . 1 1 84 84 LYS HA H 84 3.073 3.073 4.307 -1.234 19288 6177 1 14 . 1 1 84 84 LYS C C 84 176.545 176.545 177.676 -1.131 19288 6178 1 14 . 1 1 84 84 LYS CA C 84 59.680 59.680 57.620 2.060 19288 6179 1 14 . 1 1 84 84 LYS CB C 84 31.920 31.920 33.212 -1.292 19288 6180 1 14 . 1 1 84 84 LYS H H 84 8.162 8.162 7.644 0.518 19288 6181 1 14 . 1 1 85 85 ASP N N 85 116.468 116.468 117.517 -1.049 19288 6182 1 14 . 1 1 85 85 ASP HA H 85 4.192 4.192 4.537 -0.345 19288 6183 1 14 . 1 1 85 85 ASP C C 85 176.385 176.385 175.868 0.517 19288 6184 1 14 . 1 1 85 85 ASP CA C 85 56.789 56.789 54.806 1.984 19288 6185 1 14 . 1 1 85 85 ASP CB C 85 39.780 39.780 41.753 -1.973 19288 6186 1 14 . 1 1 85 85 ASP H H 85 8.682 8.682 8.100 0.582 19288 6187 1 14 . 1 1 86 86 SER N N 86 114.601 114.601 117.282 -2.681 19288 6188 1 14 . 1 1 86 86 SER HA H 86 4.183 4.183 4.838 -0.655 19288 6189 1 14 . 1 1 86 86 SER C C 86 179.169 179.169 172.416 6.753 19288 6190 1 14 . 1 1 86 86 SER CA C 86 60.939 60.939 55.241 5.698 19288 6191 1 14 . 1 1 86 86 SER CB C 86 62.823 62.823 64.811 -1.988 19288 6192 1 14 . 1 1 86 86 SER H H 86 7.200 7.200 7.972 -0.772 19288 6193 1 14 . 1 1 87 87 VAL HA H 87 2.698 2.698 4.139 -1.441 19288 6194 1 14 . 1 1 87 87 VAL C C 87 178.806 178.806 174.805 4.001 19288 6195 1 14 . 1 1 87 87 VAL CA C 87 66.028 66.028 61.979 4.049 19288 6196 1 14 . 1 1 87 87 VAL CB C 87 31.461 31.461 30.534 0.927 19288 6197 1 14 . 1 1 88 88 VAL N N 88 120.424 120.424 124.257 -3.833 19288 6198 1 14 . 1 1 88 88 VAL HA H 88 3.485 3.485 4.301 -0.816 19288 6199 1 14 . 1 1 88 88 VAL C C 88 176.208 176.208 175.821 0.387 19288 6200 1 14 . 1 1 88 88 VAL CA C 88 66.735 66.735 61.652 5.083 19288 6201 1 14 . 1 1 88 88 VAL CB C 88 31.948 31.948 32.322 -0.374 19288 6202 1 14 . 1 1 88 88 VAL H H 88 7.190 7.190 7.745 -0.555 19288 6203 1 15 . 1 1 10 10 HIS HA H 10 4.620 4.620 4.942 -0.322 19288 6204 1 15 . 1 1 10 10 HIS CA C 10 56.302 56.302 55.012 1.290 19288 6205 1 15 . 1 1 10 10 HIS CB C 10 30.312 30.312 31.421 -1.109 19288 6206 1 15 . 1 1 11 11 MET N N 11 121.464 121.464 122.706 -1.242 19288 6207 1 15 . 1 1 11 11 MET HA H 11 4.387 4.387 4.898 -0.511 19288 6208 1 15 . 1 1 11 11 MET CA C 11 55.835 55.835 55.867 -0.032 19288 6209 1 15 . 1 1 11 11 MET CB C 11 32.794 32.794 34.285 -1.491 19288 6210 1 15 . 1 1 11 11 MET H H 11 8.178 8.178 8.102 0.076 19288 6211 1 15 . 1 1 12 12 ARG N N 12 121.614 121.614 123.198 -1.584 19288 6212 1 15 . 1 1 12 12 ARG HA H 12 4.244 4.244 4.298 -0.054 19288 6213 1 15 . 1 1 12 12 ARG CA C 12 55.802 55.802 57.819 -2.017 19288 6214 1 15 . 1 1 12 12 ARG CB C 12 31.110 31.110 30.754 0.356 19288 6215 1 15 . 1 1 12 12 ARG H H 12 8.209 8.209 8.583 -0.374 19288 6216 1 15 . 1 1 13 13 ASP N N 13 119.634 119.634 118.447 1.187 19288 6217 1 15 . 1 1 13 13 ASP HA H 13 4.667 4.667 4.702 -0.035 19288 6218 1 15 . 1 1 13 13 ASP C C 13 175.723 175.723 174.016 1.707 19288 6219 1 15 . 1 1 13 13 ASP CA C 13 54.112 54.112 53.736 0.376 19288 6220 1 15 . 1 1 13 13 ASP CB C 13 42.459 42.459 42.294 0.165 19288 6221 1 15 . 1 1 13 13 ASP H H 13 7.858 7.858 7.629 0.229 19288 6222 1 15 . 1 1 14 14 TYR N N 14 120.932 120.932 120.337 0.595 19288 6223 1 15 . 1 1 14 14 TYR HA H 14 4.534 4.534 4.744 -0.210 19288 6224 1 15 . 1 1 14 14 TYR C C 14 174.767 174.767 176.037 -1.270 19288 6225 1 15 . 1 1 14 14 TYR CA C 14 57.521 57.521 57.570 -0.049 19288 6226 1 15 . 1 1 14 14 TYR CB C 14 38.608 38.608 42.032 -3.424 19288 6227 1 15 . 1 1 14 14 TYR H H 14 8.676 8.676 8.580 0.096 19288 6228 1 15 . 1 1 15 15 ILE N N 15 124.585 124.585 123.327 1.258 19288 6229 1 15 . 1 1 15 15 ILE HA H 15 4.714 4.714 4.298 0.416 19288 6230 1 15 . 1 1 15 15 ILE C C 15 175.178 175.178 174.787 0.391 19288 6231 1 15 . 1 1 15 15 ILE CA C 15 59.647 59.647 61.294 -1.647 19288 6232 1 15 . 1 1 15 15 ILE CB C 15 39.969 39.969 39.328 0.641 19288 6233 1 15 . 1 1 15 15 ILE H H 15 8.479 8.479 8.773 -0.294 19288 6234 1 15 . 1 1 16 16 CYS N N 16 129.411 129.411 114.869 14.542 19288 6235 1 15 . 1 1 16 16 CYS HA H 16 4.334 4.334 4.641 -0.307 19288 6236 1 15 . 1 1 16 16 CYS C C 16 174.675 174.675 176.056 -1.381 19288 6237 1 15 . 1 1 16 16 CYS CA C 16 61.303 61.303 56.915 4.388 19288 6238 1 15 . 1 1 16 16 CYS CB C 16 30.233 30.233 29.592 0.641 19288 6239 1 15 . 1 1 16 16 CYS H H 16 9.141 9.141 7.753 1.388 19288 6240 1 15 . 1 1 17 17 GLU N N 17 133.830 133.830 127.350 6.480 19288 6241 1 15 . 1 1 17 17 GLU HA H 17 4.200 4.200 3.081 1.119 19288 6242 1 15 . 1 1 17 17 GLU C C 17 175.826 175.826 178.194 -2.368 19288 6243 1 15 . 1 1 17 17 GLU CA C 17 58.616 58.616 58.988 -0.372 19288 6244 1 15 . 1 1 17 17 GLU CB C 17 28.133 28.133 29.272 -1.139 19288 6245 1 15 . 1 1 17 17 GLU H H 17 10.744 10.744 8.975 1.769 19288 6246 1 15 . 1 1 18 18 TYR N N 18 121.850 121.850 122.399 -0.549 19288 6247 1 15 . 1 1 18 18 TYR HA H 18 4.316 4.316 4.310 0.006 19288 6248 1 15 . 1 1 18 18 TYR C C 18 176.782 176.782 178.182 -1.400 19288 6249 1 15 . 1 1 18 18 TYR CA C 18 60.371 60.371 60.907 -0.536 19288 6250 1 15 . 1 1 18 18 TYR CB C 18 37.374 37.374 38.471 -1.097 19288 6251 1 15 . 1 1 18 18 TYR H H 18 9.190 9.190 7.601 1.589 19288 6252 1 15 . 1 1 19 19 CYS N N 19 116.138 116.138 118.907 -2.769 19288 6253 1 15 . 1 1 19 19 CYS HA H 19 5.111 5.111 4.269 0.842 19288 6254 1 15 . 1 1 19 19 CYS C C 19 176.019 176.019 176.937 -0.918 19288 6255 1 15 . 1 1 19 19 CYS CA C 19 58.721 58.721 62.003 -3.282 19288 6256 1 15 . 1 1 19 19 CYS CB C 19 32.573 32.573 27.611 4.962 19288 6257 1 15 . 1 1 19 19 CYS H H 19 7.999 7.999 7.737 0.262 19288 6258 1 15 . 1 1 20 20 ALA N N 20 122.058 122.058 122.776 -0.718 19288 6259 1 15 . 1 1 20 20 ALA HA H 20 4.140 4.140 3.654 0.486 19288 6260 1 15 . 1 1 20 20 ALA C C 20 177.014 177.014 178.260 -1.246 19288 6261 1 15 . 1 1 20 20 ALA CA C 20 54.584 54.584 54.955 -0.371 19288 6262 1 15 . 1 1 20 20 ALA CB C 20 17.127 17.127 18.619 -1.492 19288 6263 1 15 . 1 1 20 20 ALA H H 20 8.067 8.067 7.456 0.611 19288 6264 1 15 . 1 1 21 21 ARG N N 21 121.286 121.286 119.560 1.726 19288 6265 1 15 . 1 1 21 21 ARG HA H 21 4.003 4.003 3.992 0.011 19288 6266 1 15 . 1 1 21 21 ARG C C 21 175.133 175.133 178.552 -3.419 19288 6267 1 15 . 1 1 21 21 ARG CA C 21 58.236 58.236 59.265 -1.029 19288 6268 1 15 . 1 1 21 21 ARG CB C 21 31.677 31.677 29.346 2.331 19288 6269 1 15 . 1 1 21 21 ARG H H 21 7.947 7.947 7.900 0.047 19288 6270 1 15 . 1 1 22 22 ALA N N 22 123.966 123.966 120.758 3.208 19288 6271 1 15 . 1 1 22 22 ALA HA H 22 5.008 5.008 3.839 1.169 19288 6272 1 15 . 1 1 22 22 ALA C C 22 175.750 175.750 179.053 -3.303 19288 6273 1 15 . 1 1 22 22 ALA CA C 22 50.811 50.811 56.808 -5.997 19288 6274 1 15 . 1 1 22 22 ALA CB C 22 21.928 21.928 18.652 3.276 19288 6275 1 15 . 1 1 22 22 ALA H H 22 7.968 7.968 7.826 0.142 19288 6276 1 15 . 1 1 23 23 PHE N N 23 118.728 118.728 120.371 -1.643 19288 6277 1 15 . 1 1 23 23 PHE HA H 23 4.678 4.678 4.223 0.455 19288 6278 1 15 . 1 1 23 23 PHE C C 23 173.852 173.852 178.032 -4.180 19288 6279 1 15 . 1 1 23 23 PHE CA C 23 57.367 57.367 61.978 -4.611 19288 6280 1 15 . 1 1 23 23 PHE CB C 23 43.458 43.458 39.188 4.270 19288 6281 1 15 . 1 1 23 23 PHE H H 23 9.004 9.004 7.573 1.431 19288 6282 1 15 . 1 1 24 24 LYS N N 24 119.176 119.176 116.730 2.446 19288 6283 1 15 . 1 1 24 24 LYS HA H 24 4.709 4.709 4.260 0.449 19288 6284 1 15 . 1 1 24 24 LYS C C 24 176.934 176.934 178.127 -1.193 19288 6285 1 15 . 1 1 24 24 LYS CA C 24 56.482 56.482 58.555 -2.073 19288 6286 1 15 . 1 1 24 24 LYS CB C 24 33.111 33.111 32.100 1.011 19288 6287 1 15 . 1 1 24 24 LYS H H 24 9.211 9.211 8.401 0.810 19288 6288 1 15 . 1 1 25 25 SER N N 25 110.950 110.950 114.938 -3.988 19288 6289 1 15 . 1 1 25 25 SER HA H 25 4.566 4.566 4.297 0.269 19288 6290 1 15 . 1 1 25 25 SER C C 25 175.671 175.671 175.424 0.247 19288 6291 1 15 . 1 1 25 25 SER CA C 25 55.683 55.683 60.802 -5.119 19288 6292 1 15 . 1 1 25 25 SER CB C 25 66.490 66.490 63.924 2.566 19288 6293 1 15 . 1 1 25 25 SER H H 25 7.474 7.474 7.280 0.194 19288 6294 1 15 . 1 1 26 26 SER N N 26 119.411 119.411 112.596 6.815 19288 6295 1 15 . 1 1 26 26 SER C C 26 176.269 176.269 176.794 -0.525 19288 6296 1 15 . 1 1 26 26 SER CA C 26 60.616 60.616 59.996 0.620 19288 6297 1 15 . 1 1 26 26 SER CB C 26 61.758 61.758 61.341 0.417 19288 6298 1 15 . 1 1 26 26 SER H H 26 8.487 8.487 7.830 0.657 19288 6299 1 15 . 1 1 27 27 HIS HA H 27 4.258 4.258 4.447 -0.189 19288 6300 1 15 . 1 1 27 27 HIS C C 27 173.658 173.658 176.908 -3.250 19288 6301 1 15 . 1 1 27 27 HIS CA C 27 59.581 59.581 59.057 0.524 19288 6302 1 15 . 1 1 27 27 HIS CB C 27 29.913 29.913 30.024 -0.111 19288 6303 1 15 . 1 1 28 28 ASN N N 28 117.126 117.126 114.060 3.066 19288 6304 1 15 . 1 1 28 28 ASN HA H 28 4.216 4.216 4.794 -0.578 19288 6305 1 15 . 1 1 28 28 ASN CA C 28 55.547 55.547 52.907 2.639 19288 6306 1 15 . 1 1 28 28 ASN CB C 28 37.634 37.634 37.306 0.328 19288 6307 1 15 . 1 1 28 28 ASN H H 28 7.681 7.681 7.608 0.073 19288 6308 1 15 . 1 1 29 29 LEU N N 29 121.121 121.121 123.446 -2.325 19288 6309 1 15 . 1 1 29 29 LEU HA H 29 3.177 3.177 4.076 -0.899 19288 6310 1 15 . 1 1 29 29 LEU C C 29 176.205 176.205 176.782 -0.577 19288 6311 1 15 . 1 1 29 29 LEU CA C 29 57.893 57.893 54.866 3.027 19288 6312 1 15 . 1 1 29 29 LEU H H 29 7.300 7.300 7.556 -0.256 19288 6313 1 15 . 1 1 30 30 ALA N N 30 122.058 122.058 123.418 -1.360 19288 6314 1 15 . 1 1 30 30 ALA HA H 30 3.917 3.917 4.389 -0.472 19288 6315 1 15 . 1 1 30 30 ALA C C 30 178.363 178.363 176.621 1.742 19288 6316 1 15 . 1 1 30 30 ALA CA C 30 55.487 55.487 51.273 4.213 19288 6317 1 15 . 1 1 30 30 ALA CB C 30 17.947 17.947 18.546 -0.599 19288 6318 1 15 . 1 1 30 30 ALA H H 30 7.987 7.987 7.845 0.142 19288 6319 1 15 . 1 1 31 31 VAL N N 31 116.442 116.442 119.123 -2.681 19288 6320 1 15 . 1 1 31 31 VAL HA H 31 3.556 3.556 4.317 -0.761 19288 6321 1 15 . 1 1 31 31 VAL C C 31 176.352 176.352 174.663 1.689 19288 6322 1 15 . 1 1 31 31 VAL CA C 31 65.936 65.936 59.234 6.702 19288 6323 1 15 . 1 1 31 31 VAL CB C 31 32.281 32.281 31.121 1.160 19288 6324 1 15 . 1 1 31 31 VAL H H 31 7.636 7.636 7.226 0.410 19288 6325 1 15 . 1 1 32 32 HIS HA H 32 4.125 4.125 4.465 -0.340 19288 6326 1 15 . 1 1 32 32 HIS C C 32 180.696 180.696 174.577 6.119 19288 6327 1 15 . 1 1 32 32 HIS CA C 32 59.377 59.377 57.316 2.062 19288 6328 1 15 . 1 1 32 32 HIS CB C 32 28.332 28.332 30.173 -1.841 19288 6329 1 15 . 1 1 33 33 ARG N N 33 115.795 115.795 115.198 0.597 19288 6330 1 15 . 1 1 33 33 ARG HA H 33 3.658 3.658 4.684 -1.026 19288 6331 1 15 . 1 1 33 33 ARG C C 33 178.735 178.735 174.030 4.705 19288 6332 1 15 . 1 1 33 33 ARG CA C 33 60.012 60.012 56.044 3.968 19288 6333 1 15 . 1 1 33 33 ARG CB C 33 31.144 31.144 33.804 -2.660 19288 6334 1 15 . 1 1 33 33 ARG H H 33 8.633 8.633 7.746 0.887 19288 6335 1 15 . 1 1 34 34 MET N N 34 115.672 115.672 120.753 -5.081 19288 6336 1 15 . 1 1 34 34 MET HA H 34 4.211 4.211 4.999 -0.788 19288 6337 1 15 . 1 1 34 34 MET C C 34 176.427 176.427 175.188 1.239 19288 6338 1 15 . 1 1 34 34 MET CA C 34 57.866 57.866 54.555 3.311 19288 6339 1 15 . 1 1 34 34 MET CB C 34 32.221 32.221 35.741 -3.520 19288 6340 1 15 . 1 1 34 34 MET H H 34 7.057 7.057 8.501 -1.444 19288 6341 1 15 . 1 1 35 35 ILE N N 35 116.381 116.381 129.227 -12.846 19288 6342 1 15 . 1 1 35 35 ILE HA H 35 3.904 3.904 4.227 -0.323 19288 6343 1 15 . 1 1 35 35 ILE C C 35 177.504 177.504 174.923 2.581 19288 6344 1 15 . 1 1 35 35 ILE CA C 35 63.402 63.402 61.359 2.043 19288 6345 1 15 . 1 1 35 35 ILE CB C 35 37.724 37.724 38.485 -0.761 19288 6346 1 15 . 1 1 35 35 ILE H H 35 7.811 7.811 8.829 -1.018 19288 6347 1 15 . 1 1 36 36 HIS N N 36 117.423 117.423 127.899 -10.476 19288 6348 1 15 . 1 1 36 36 HIS HA H 36 4.481 4.481 4.844 -0.363 19288 6349 1 15 . 1 1 36 36 HIS C C 36 178.413 178.413 173.804 4.609 19288 6350 1 15 . 1 1 36 36 HIS CA C 36 55.260 55.260 55.487 -0.227 19288 6351 1 15 . 1 1 36 36 HIS CB C 36 28.066 28.066 30.141 -2.075 19288 6352 1 15 . 1 1 36 36 HIS H H 36 7.247 7.247 8.797 -1.550 19288 6353 1 15 . 1 1 37 37 THR N N 37 110.804 110.804 117.891 -7.087 19288 6354 1 15 . 1 1 37 37 THR HA H 37 4.160 4.160 4.417 -0.257 19288 6355 1 15 . 1 1 37 37 THR C C 37 177.179 177.179 174.367 2.812 19288 6356 1 15 . 1 1 37 37 THR CA C 37 62.791 62.791 62.712 0.079 19288 6357 1 15 . 1 1 37 37 THR CB C 37 69.712 69.712 71.408 -1.696 19288 6358 1 15 . 1 1 37 37 THR H H 37 7.553 7.553 8.132 -0.579 19288 6359 1 15 . 1 1 38 38 GLY N N 38 110.842 110.842 109.713 1.129 19288 6360 1 15 . 1 1 38 38 GLY C C 38 175.821 175.821 175.546 0.275 19288 6361 1 15 . 1 1 38 38 GLY CA C 38 45.403 45.403 43.234 2.169 19288 6362 1 15 . 1 1 38 38 GLY H H 38 8.195 8.195 7.955 0.240 19288 6363 1 15 . 1 1 39 39 GLU N N 39 120.441 120.441 125.037 -4.596 19288 6364 1 15 . 1 1 39 39 GLU HA H 39 4.238 4.238 4.292 -0.054 19288 6365 1 15 . 1 1 39 39 GLU C C 39 175.390 175.390 174.489 0.901 19288 6366 1 15 . 1 1 39 39 GLU CA C 39 56.572 56.572 57.573 -1.001 19288 6367 1 15 . 1 1 39 39 GLU H H 39 7.953 7.953 8.936 -0.983 19288 6368 1 15 . 1 1 40 40 LYS N N 40 123.624 123.624 127.307 -3.683 19288 6369 1 15 . 1 1 40 40 LYS HA H 40 4.534 4.534 4.779 -0.245 19288 6370 1 15 . 1 1 40 40 LYS C C 40 174.124 174.124 173.794 0.330 19288 6371 1 15 . 1 1 40 40 LYS CA C 40 54.236 54.236 55.683 -1.447 19288 6372 1 15 . 1 1 40 40 LYS CB C 40 32.769 32.769 35.761 -2.992 19288 6373 1 15 . 1 1 40 40 LYS H H 40 8.321 8.321 7.729 0.592 19288 6374 1 15 . 1 1 41 41 PRO HA H 41 4.404 4.404 4.886 -0.482 19288 6375 1 15 . 1 1 41 41 PRO C C 41 176.103 176.103 175.914 0.189 19288 6376 1 15 . 1 1 41 41 PRO CA C 41 63.174 63.174 62.630 0.544 19288 6377 1 15 . 1 1 41 41 PRO CB C 41 32.306 32.306 32.368 -0.062 19288 6378 1 15 . 1 1 42 42 LEU N N 42 122.177 122.177 126.669 -4.492 19288 6379 1 15 . 1 1 42 42 LEU HA H 42 4.381 4.381 4.524 -0.143 19288 6380 1 15 . 1 1 42 42 LEU CA C 42 54.626 54.626 51.869 2.757 19288 6381 1 15 . 1 1 42 42 LEU CB C 42 42.719 42.719 44.302 -1.583 19288 6382 1 15 . 1 1 42 42 LEU H H 42 8.293 8.293 8.308 -0.015 19288 6383 1 15 . 1 1 43 43 GLN N N 43 119.188 119.188 119.361 -0.173 19288 6384 1 15 . 1 1 43 43 GLN HA H 43 5.181 5.181 4.383 0.798 19288 6385 1 15 . 1 1 43 43 GLN C C 43 176.325 176.325 175.504 0.821 19288 6386 1 15 . 1 1 43 43 GLN CA C 43 53.898 53.898 56.559 -2.661 19288 6387 1 15 . 1 1 43 43 GLN CB C 43 32.969 32.969 29.533 3.436 19288 6388 1 15 . 1 1 43 43 GLN H H 43 8.180 8.180 8.604 -0.424 19288 6389 1 15 . 1 1 44 44 CYS N N 44 127.346 127.346 119.714 7.632 19288 6390 1 15 . 1 1 44 44 CYS HA H 44 4.453 4.453 4.668 -0.215 19288 6391 1 15 . 1 1 44 44 CYS C C 44 175.677 175.677 175.123 0.554 19288 6392 1 15 . 1 1 44 44 CYS CA C 44 59.437 59.437 57.587 1.850 19288 6393 1 15 . 1 1 44 44 CYS CB C 44 30.721 30.721 28.078 2.643 19288 6394 1 15 . 1 1 44 44 CYS H H 44 9.299 9.299 7.531 1.768 19288 6395 1 15 . 1 1 45 45 GLU N N 45 131.846 131.846 125.020 6.826 19288 6396 1 15 . 1 1 45 45 GLU HA H 45 4.178 4.178 4.088 0.090 19288 6397 1 15 . 1 1 45 45 GLU C C 45 174.655 174.655 177.641 -2.986 19288 6398 1 15 . 1 1 45 45 GLU CA C 45 58.342 58.342 59.330 -0.988 19288 6399 1 15 . 1 1 45 45 GLU CB C 45 29.819 29.819 28.873 0.946 19288 6400 1 15 . 1 1 45 45 GLU H H 45 9.602 9.602 9.072 0.530 19288 6401 1 15 . 1 1 46 46 ILE N N 46 121.898 121.898 118.638 3.260 19288 6402 1 15 . 1 1 46 46 ILE HA H 46 3.840 3.840 4.044 -0.204 19288 6403 1 15 . 1 1 46 46 ILE C C 46 177.404 177.404 178.376 -0.972 19288 6404 1 15 . 1 1 46 46 ILE CA C 46 63.494 63.494 63.980 -0.486 19288 6405 1 15 . 1 1 46 46 ILE CB C 46 38.461 38.461 36.844 1.617 19288 6406 1 15 . 1 1 46 46 ILE H H 46 8.973 8.973 8.725 0.248 19288 6407 1 15 . 1 1 47 47 CYS N N 47 117.274 117.274 118.924 -1.650 19288 6408 1 15 . 1 1 47 47 CYS HA H 47 5.231 5.231 4.404 0.827 19288 6409 1 15 . 1 1 47 47 CYS C C 47 176.087 176.087 176.946 -0.859 19288 6410 1 15 . 1 1 47 47 CYS CA C 47 58.455 58.455 61.837 -3.382 19288 6411 1 15 . 1 1 47 47 CYS CB C 47 33.590 33.590 27.903 5.687 19288 6412 1 15 . 1 1 47 47 CYS H H 47 8.432 8.432 7.467 0.965 19288 6413 1 15 . 1 1 48 48 GLY N N 48 112.655 112.655 110.224 2.431 19288 6414 1 15 . 1 1 48 48 GLY C C 48 177.177 177.177 176.838 0.339 19288 6415 1 15 . 1 1 48 48 GLY CA C 48 46.253 46.253 48.188 -1.935 19288 6416 1 15 . 1 1 48 48 GLY H H 48 8.016 8.016 7.691 0.325 19288 6417 1 15 . 1 1 49 49 PHE N N 49 125.000 125.000 120.283 4.717 19288 6418 1 15 . 1 1 49 49 PHE HA H 49 4.272 4.272 4.115 0.157 19288 6419 1 15 . 1 1 49 49 PHE C C 49 176.313 176.313 178.139 -1.826 19288 6420 1 15 . 1 1 49 49 PHE CA C 49 59.750 59.750 61.387 -1.637 19288 6421 1 15 . 1 1 49 49 PHE CB C 49 41.278 41.278 38.310 2.968 19288 6422 1 15 . 1 1 49 49 PHE H H 49 8.333 8.333 8.646 -0.313 19288 6423 1 15 . 1 1 50 50 THR N N 50 118.297 118.297 112.830 5.467 19288 6424 1 15 . 1 1 50 50 THR HA H 50 5.150 5.150 4.168 0.982 19288 6425 1 15 . 1 1 50 50 THR C C 50 173.480 173.480 176.696 -3.216 19288 6426 1 15 . 1 1 50 50 THR CA C 50 59.186 59.186 65.421 -6.235 19288 6427 1 15 . 1 1 50 50 THR CB C 50 71.954 71.954 68.584 3.370 19288 6428 1 15 . 1 1 50 50 THR H H 50 7.336 7.336 7.590 -0.254 19288 6429 1 15 . 1 1 51 51 CYS N N 51 115.101 115.101 120.698 -5.597 19288 6430 1 15 . 1 1 51 51 CYS HA H 51 4.540 4.540 3.875 0.665 19288 6431 1 15 . 1 1 51 51 CYS C C 51 173.381 173.381 177.107 -3.726 19288 6432 1 15 . 1 1 51 51 CYS CA C 51 56.305 56.305 63.196 -6.891 19288 6433 1 15 . 1 1 51 51 CYS CB C 51 30.578 30.578 28.059 2.519 19288 6434 1 15 . 1 1 51 51 CYS H H 51 8.318 8.318 8.305 0.013 19288 6435 1 15 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.340 0.226 19288 6436 1 15 . 1 1 52 52 ARG C C 52 172.494 172.494 177.774 -5.280 19288 6437 1 15 . 1 1 52 52 ARG CA C 52 56.923 56.923 58.552 -1.629 19288 6438 1 15 . 1 1 52 52 ARG CB C 52 31.891 31.891 29.760 2.131 19288 6439 1 15 . 1 1 53 53 GLN N N 53 115.534 115.534 119.189 -3.655 19288 6440 1 15 . 1 1 53 53 GLN HA H 53 4.719 4.719 4.013 0.706 19288 6441 1 15 . 1 1 53 53 GLN CA C 53 54.637 54.637 58.573 -3.936 19288 6442 1 15 . 1 1 53 53 GLN CB C 53 30.904 30.904 28.099 2.805 19288 6443 1 15 . 1 1 53 53 GLN H H 53 7.649 7.649 7.627 0.022 19288 6444 1 15 . 1 1 54 54 LYS N N 54 127.065 127.065 117.026 10.039 19288 6445 1 15 . 1 1 54 54 LYS HA H 54 3.771 3.771 4.079 -0.308 19288 6446 1 15 . 1 1 54 54 LYS C C 54 176.035 176.035 178.474 -2.439 19288 6447 1 15 . 1 1 54 54 LYS CA C 54 59.833 59.833 58.535 1.298 19288 6448 1 15 . 1 1 54 54 LYS CB C 54 32.087 32.087 32.309 -0.222 19288 6449 1 15 . 1 1 54 54 LYS H H 54 9.132 9.132 7.567 1.565 19288 6450 1 15 . 1 1 55 55 ALA N N 55 120.230 120.230 119.296 0.934 19288 6451 1 15 . 1 1 55 55 ALA HA H 55 4.135 4.135 4.265 -0.130 19288 6452 1 15 . 1 1 55 55 ALA C C 55 176.728 176.728 178.723 -1.995 19288 6453 1 15 . 1 1 55 55 ALA CA C 55 55.456 55.456 53.090 2.366 19288 6454 1 15 . 1 1 55 55 ALA CB C 55 18.224 18.224 18.868 -0.644 19288 6455 1 15 . 1 1 55 55 ALA H H 55 9.016 9.016 7.202 1.814 19288 6456 1 15 . 1 1 56 56 SER N N 56 112.225 112.225 115.150 -2.925 19288 6457 1 15 . 1 1 56 56 SER HA H 56 4.509 4.509 4.265 0.244 19288 6458 1 15 . 1 1 56 56 SER C C 56 178.309 178.309 175.265 3.044 19288 6459 1 15 . 1 1 56 56 SER CA C 56 61.172 61.172 59.512 1.660 19288 6460 1 15 . 1 1 56 56 SER CB C 56 62.925 62.925 63.256 -0.331 19288 6461 1 15 . 1 1 56 56 SER H H 56 7.097 7.097 7.799 -0.702 19288 6462 1 15 . 1 1 57 57 LEU N N 57 126.317 126.317 119.630 6.687 19288 6463 1 15 . 1 1 57 57 LEU HA H 57 4.327 4.327 4.162 0.165 19288 6464 1 15 . 1 1 57 57 LEU C C 57 180.642 180.642 176.854 3.788 19288 6465 1 15 . 1 1 57 57 LEU CA C 57 58.038 58.038 56.173 1.865 19288 6466 1 15 . 1 1 57 57 LEU CB C 57 41.443 41.443 42.007 -0.564 19288 6467 1 15 . 1 1 57 57 LEU H H 57 7.667 7.667 7.536 0.131 19288 6468 1 15 . 1 1 58 58 ASN N N 58 118.325 118.325 115.689 2.636 19288 6469 1 15 . 1 1 58 58 ASN HA H 58 4.364 4.364 4.566 -0.202 19288 6470 1 15 . 1 1 58 58 ASN C C 58 176.770 176.770 175.420 1.350 19288 6471 1 15 . 1 1 58 58 ASN CA C 58 56.457 56.457 53.285 3.171 19288 6472 1 15 . 1 1 58 58 ASN CB C 58 37.852 37.852 37.592 0.260 19288 6473 1 15 . 1 1 58 58 ASN H H 58 8.533 8.533 7.985 0.548 19288 6474 1 15 . 1 1 59 59 TRP N N 59 119.802 119.802 122.199 -2.397 19288 6475 1 15 . 1 1 59 59 TRP HA H 59 4.349 4.349 4.331 0.018 19288 6476 1 15 . 1 1 59 59 TRP C C 59 178.160 178.160 176.530 1.630 19288 6477 1 15 . 1 1 59 59 TRP CA C 59 60.432 60.432 59.241 1.191 19288 6478 1 15 . 1 1 59 59 TRP CB C 59 29.304 29.304 29.138 0.166 19288 6479 1 15 . 1 1 59 59 TRP H H 59 7.914 7.914 8.359 -0.445 19288 6480 1 15 . 1 1 60 60 HIS N N 60 119.175 119.175 117.210 1.965 19288 6481 1 15 . 1 1 60 60 HIS HA H 60 3.675 3.675 4.499 -0.824 19288 6482 1 15 . 1 1 60 60 HIS C C 60 174.721 174.721 176.267 -1.546 19288 6483 1 15 . 1 1 60 60 HIS CA C 60 60.038 60.038 57.030 3.008 19288 6484 1 15 . 1 1 60 60 HIS CB C 60 28.143 28.143 29.981 -1.838 19288 6485 1 15 . 1 1 60 60 HIS H H 60 8.131 8.131 7.998 0.133 19288 6486 1 15 . 1 1 61 61 MET N N 61 114.602 114.602 116.041 -1.439 19288 6487 1 15 . 1 1 61 61 MET HA H 61 4.127 4.127 4.062 0.065 19288 6488 1 15 . 1 1 61 61 MET C C 61 178.337 178.337 177.342 0.995 19288 6489 1 15 . 1 1 61 61 MET CA C 61 57.177 57.177 59.236 -2.059 19288 6490 1 15 . 1 1 61 61 MET CB C 61 30.085 30.085 33.335 -3.250 19288 6491 1 15 . 1 1 61 61 MET H H 61 8.448 8.448 7.969 0.479 19288 6492 1 15 . 1 1 62 62 LYS N N 62 118.858 118.858 114.068 4.790 19288 6493 1 15 . 1 1 62 62 LYS HA H 62 3.998 3.998 3.805 0.193 19288 6494 1 15 . 1 1 62 62 LYS C C 62 176.716 176.716 175.310 1.406 19288 6495 1 15 . 1 1 62 62 LYS CA C 62 58.512 58.512 58.286 0.226 19288 6496 1 15 . 1 1 62 62 LYS CB C 62 31.694 31.694 32.024 -0.330 19288 6497 1 15 . 1 1 62 62 LYS H H 62 7.285 7.285 8.111 -0.826 19288 6498 1 15 . 1 1 63 63 LYS N N 63 117.683 117.683 117.397 0.286 19288 6499 1 15 . 1 1 63 63 LYS HA H 63 3.793 3.793 4.574 -0.781 19288 6500 1 15 . 1 1 63 63 LYS C C 63 179.150 179.150 174.554 4.596 19288 6501 1 15 . 1 1 63 63 LYS CA C 63 57.827 57.827 55.446 2.381 19288 6502 1 15 . 1 1 63 63 LYS CB C 63 31.272 31.272 36.331 -5.059 19288 6503 1 15 . 1 1 63 63 LYS H H 63 7.516 7.516 7.856 -0.340 19288 6504 1 15 . 1 1 64 64 HIS N N 64 115.200 115.200 120.272 -5.072 19288 6505 1 15 . 1 1 64 64 HIS HA H 64 4.708 4.708 4.886 -0.178 19288 6506 1 15 . 1 1 64 64 HIS C C 64 178.727 178.727 173.223 5.504 19288 6507 1 15 . 1 1 64 64 HIS CA C 64 55.628 55.628 54.912 0.716 19288 6508 1 15 . 1 1 64 64 HIS CB C 64 28.782 28.782 32.361 -3.579 19288 6509 1 15 . 1 1 64 64 HIS H H 64 7.155 7.155 8.461 -1.306 19288 6510 1 15 . 1 1 65 65 ASP N N 65 120.441 120.441 124.300 -3.859 19288 6511 1 15 . 1 1 65 65 ASP HA H 65 4.503 4.503 4.929 -0.426 19288 6512 1 15 . 1 1 65 65 ASP C C 65 177.648 177.648 176.562 1.086 19288 6513 1 15 . 1 1 65 65 ASP CA C 65 55.296 55.296 53.649 1.647 19288 6514 1 15 . 1 1 65 65 ASP CB C 65 41.122 41.122 43.354 -2.232 19288 6515 1 15 . 1 1 65 65 ASP H H 65 7.653 7.653 8.786 -1.133 19288 6516 1 15 . 1 1 66 66 ALA N N 66 123.184 123.184 129.026 -5.842 19288 6517 1 15 . 1 1 66 66 ALA HA H 66 4.141 4.141 4.157 -0.016 19288 6518 1 15 . 1 1 66 66 ALA C C 66 175.172 175.172 178.506 -3.334 19288 6519 1 15 . 1 1 66 66 ALA CA C 66 53.693 53.693 54.742 -1.049 19288 6520 1 15 . 1 1 66 66 ALA CB C 66 19.049 19.049 19.134 -0.085 19288 6521 1 15 . 1 1 66 66 ALA H H 66 8.088 8.088 8.474 -0.386 19288 6522 1 15 . 1 1 67 67 ASP N N 67 117.608 117.608 118.906 -1.298 19288 6523 1 15 . 1 1 67 67 ASP HA H 67 4.175 4.175 4.495 -0.320 19288 6524 1 15 . 1 1 67 67 ASP C C 67 176.687 176.687 176.613 0.074 19288 6525 1 15 . 1 1 67 67 ASP CA C 67 54.842 54.842 54.811 0.031 19288 6526 1 15 . 1 1 67 67 ASP CB C 67 40.957 40.957 41.304 -0.347 19288 6527 1 15 . 1 1 67 67 ASP H H 67 7.999 7.999 8.255 -0.256 19288 6528 1 15 . 1 1 68 68 SER N N 68 114.794 114.794 114.158 0.636 19288 6529 1 15 . 1 1 68 68 SER HA H 68 4.145 4.145 4.795 -0.650 19288 6530 1 15 . 1 1 68 68 SER C C 68 178.056 178.056 174.710 3.346 19288 6531 1 15 . 1 1 68 68 SER CA C 68 59.397 59.397 56.060 3.337 19288 6532 1 15 . 1 1 68 68 SER CB C 68 63.682 63.682 63.245 0.437 19288 6533 1 15 . 1 1 68 68 SER H H 68 7.797 7.797 7.944 -0.147 19288 6534 1 15 . 1 1 69 69 PHE N N 69 120.277 120.277 122.200 -1.923 19288 6535 1 15 . 1 1 69 69 PHE HA H 69 4.474 4.474 4.704 -0.230 19288 6536 1 15 . 1 1 69 69 PHE C C 69 176.959 176.959 174.641 2.318 19288 6537 1 15 . 1 1 69 69 PHE CA C 69 58.048 58.048 57.696 0.352 19288 6538 1 15 . 1 1 69 69 PHE H H 69 7.850 7.850 8.610 -0.760 19288 6539 1 15 . 1 1 70 70 TYR N N 70 121.023 121.023 119.974 1.049 19288 6540 1 15 . 1 1 70 70 TYR HA H 70 4.494 4.494 3.996 0.498 19288 6541 1 15 . 1 1 70 70 TYR C C 70 174.330 174.330 175.175 -0.845 19288 6542 1 15 . 1 1 70 70 TYR CA C 70 56.491 56.491 57.389 -0.898 19288 6543 1 15 . 1 1 70 70 TYR CB C 70 37.727 37.727 39.475 -1.748 19288 6544 1 15 . 1 1 70 70 TYR H H 70 7.818 7.818 8.066 -0.248 19288 6545 1 15 . 1 1 71 71 GLN N N 71 119.046 119.046 118.774 0.272 19288 6546 1 15 . 1 1 71 71 GLN HA H 71 4.085 4.085 4.188 -0.103 19288 6547 1 15 . 1 1 71 71 GLN C C 71 175.830 175.830 174.255 1.575 19288 6548 1 15 . 1 1 71 71 GLN CA C 71 56.485 56.485 56.486 -0.001 19288 6549 1 15 . 1 1 71 71 GLN CB C 71 30.291 30.291 26.012 4.279 19288 6550 1 15 . 1 1 71 71 GLN H H 71 8.352 8.352 7.913 0.439 19288 6551 1 15 . 1 1 72 72 PHE N N 72 117.779 117.779 118.873 -1.094 19288 6552 1 15 . 1 1 72 72 PHE HA H 72 4.850 4.850 4.748 0.102 19288 6553 1 15 . 1 1 72 72 PHE C C 72 176.323 176.323 176.038 0.285 19288 6554 1 15 . 1 1 72 72 PHE CA C 72 57.157 57.157 56.309 0.848 19288 6555 1 15 . 1 1 72 72 PHE CB C 72 41.106 41.106 42.374 -1.268 19288 6556 1 15 . 1 1 72 72 PHE H H 72 7.901 7.901 7.859 0.042 19288 6557 1 15 . 1 1 73 73 SER N N 73 114.707 114.707 116.724 -2.017 19288 6558 1 15 . 1 1 73 73 SER HA H 73 5.469 5.469 4.309 1.160 19288 6559 1 15 . 1 1 73 73 SER C C 73 175.151 175.151 174.125 1.026 19288 6560 1 15 . 1 1 73 73 SER CA C 73 57.026 57.026 59.696 -2.670 19288 6561 1 15 . 1 1 73 73 SER CB C 73 65.963 65.963 63.641 2.322 19288 6562 1 15 . 1 1 73 73 SER H H 73 8.744 8.744 8.828 -0.084 19288 6563 1 15 . 1 1 74 74 CYS N N 74 124.143 124.143 115.382 8.761 19288 6564 1 15 . 1 1 74 74 CYS HA H 74 4.391 4.391 4.865 -0.474 19288 6565 1 15 . 1 1 74 74 CYS C C 74 174.848 174.848 174.224 0.624 19288 6566 1 15 . 1 1 74 74 CYS CA C 74 59.743 59.743 57.782 1.962 19288 6567 1 15 . 1 1 74 74 CYS CB C 74 30.581 30.581 29.620 0.961 19288 6568 1 15 . 1 1 74 74 CYS H H 74 9.154 9.154 7.484 1.670 19288 6569 1 15 . 1 1 75 75 ASN HA H 75 4.501 4.501 3.916 0.585 19288 6570 1 15 . 1 1 75 75 ASN C C 75 173.664 173.664 176.788 -3.124 19288 6571 1 15 . 1 1 75 75 ASN CA C 75 55.316 55.316 55.322 -0.006 19288 6572 1 15 . 1 1 75 75 ASN CB C 75 36.774 36.774 38.083 -1.308 19288 6573 1 15 . 1 1 76 76 ILE N N 76 123.143 123.143 119.564 3.579 19288 6574 1 15 . 1 1 76 76 ILE HA H 76 3.908 3.908 3.847 0.061 19288 6575 1 15 . 1 1 76 76 ILE CA C 76 63.223 63.223 64.647 -1.424 19288 6576 1 15 . 1 1 76 76 ILE CB C 76 38.269 38.269 37.737 0.532 19288 6577 1 15 . 1 1 76 76 ILE H H 76 8.921 8.921 8.245 0.676 19288 6578 1 15 . 1 1 77 77 CYS N N 77 116.298 116.298 118.317 -2.019 19288 6579 1 15 . 1 1 77 77 CYS HA H 77 5.159 5.159 3.947 1.212 19288 6580 1 15 . 1 1 77 77 CYS C C 77 174.401 174.401 176.720 -2.319 19288 6581 1 15 . 1 1 77 77 CYS CA C 77 58.394 58.394 61.861 -3.467 19288 6582 1 15 . 1 1 77 77 CYS CB C 77 32.743 32.743 26.927 5.816 19288 6583 1 15 . 1 1 77 77 CYS H H 77 8.243 8.243 7.390 0.853 19288 6584 1 15 . 1 1 78 78 GLY N N 78 113.607 113.607 111.409 2.198 19288 6585 1 15 . 1 1 78 78 GLY C C 78 176.862 176.862 176.373 0.489 19288 6586 1 15 . 1 1 78 78 GLY CA C 78 46.321 46.321 49.002 -2.682 19288 6587 1 15 . 1 1 78 78 GLY H H 78 8.060 8.060 7.066 0.994 19288 6588 1 15 . 1 1 79 79 LYS N N 79 123.134 123.134 120.346 2.788 19288 6589 1 15 . 1 1 79 79 LYS HA H 79 3.950 3.950 3.809 0.141 19288 6590 1 15 . 1 1 79 79 LYS C C 79 176.484 176.484 178.348 -1.864 19288 6591 1 15 . 1 1 79 79 LYS CA C 79 58.342 58.342 60.161 -1.819 19288 6592 1 15 . 1 1 79 79 LYS CB C 79 33.770 33.770 31.014 2.756 19288 6593 1 15 . 1 1 79 79 LYS H H 79 7.977 7.977 8.224 -0.247 19288 6594 1 15 . 1 1 80 80 LYS N N 80 121.440 121.440 119.482 1.958 19288 6595 1 15 . 1 1 80 80 LYS HA H 80 4.884 4.884 4.022 0.862 19288 6596 1 15 . 1 1 80 80 LYS C C 80 173.961 173.961 178.390 -4.429 19288 6597 1 15 . 1 1 80 80 LYS CA C 80 55.524 55.524 59.260 -3.736 19288 6598 1 15 . 1 1 80 80 LYS CB C 80 35.024 35.024 31.666 3.358 19288 6599 1 15 . 1 1 80 80 LYS H H 80 7.918 7.918 7.586 0.332 19288 6600 1 15 . 1 1 81 81 PHE N N 81 116.724 116.724 119.987 -3.263 19288 6601 1 15 . 1 1 81 81 PHE HA H 81 4.598 4.598 4.324 0.274 19288 6602 1 15 . 1 1 81 81 PHE C C 81 174.541 174.541 177.955 -3.414 19288 6603 1 15 . 1 1 81 81 PHE CA C 81 57.359 57.359 61.833 -4.474 19288 6604 1 15 . 1 1 81 81 PHE CB C 81 44.738 44.738 39.366 5.372 19288 6605 1 15 . 1 1 81 81 PHE H H 81 8.725 8.725 8.099 0.626 19288 6606 1 15 . 1 1 82 82 GLU N N 82 120.474 120.474 120.028 0.446 19288 6607 1 15 . 1 1 82 82 GLU HA H 82 4.155 4.155 4.247 -0.092 19288 6608 1 15 . 1 1 82 82 GLU C C 82 175.832 175.832 178.782 -2.950 19288 6609 1 15 . 1 1 82 82 GLU CA C 82 57.900 57.900 59.615 -1.715 19288 6610 1 15 . 1 1 82 82 GLU CB C 82 30.829 30.829 29.727 1.102 19288 6611 1 15 . 1 1 82 82 GLU H H 82 8.775 8.775 8.493 0.282 19288 6612 1 15 . 1 1 83 83 LYS N N 83 114.607 114.607 117.101 -2.494 19288 6613 1 15 . 1 1 83 83 LYS HA H 83 4.607 4.607 4.157 0.450 19288 6614 1 15 . 1 1 83 83 LYS C C 83 174.585 174.585 177.187 -2.602 19288 6615 1 15 . 1 1 83 83 LYS CA C 83 54.369 54.369 58.820 -4.451 19288 6616 1 15 . 1 1 83 83 LYS CB C 83 35.540 35.540 32.167 3.373 19288 6617 1 15 . 1 1 83 83 LYS H H 83 7.547 7.547 7.983 -0.436 19288 6618 1 15 . 1 1 84 84 LYS N N 84 124.921 124.921 116.685 8.236 19288 6619 1 15 . 1 1 84 84 LYS HA H 84 3.073 3.073 4.317 -1.244 19288 6620 1 15 . 1 1 84 84 LYS C C 84 176.545 176.545 177.927 -1.382 19288 6621 1 15 . 1 1 84 84 LYS CA C 84 59.680 59.680 57.840 1.840 19288 6622 1 15 . 1 1 84 84 LYS CB C 84 31.920 31.920 33.482 -1.562 19288 6623 1 15 . 1 1 84 84 LYS H H 84 8.162 8.162 7.560 0.602 19288 6624 1 15 . 1 1 85 85 ASP N N 85 116.468 116.468 116.938 -0.470 19288 6625 1 15 . 1 1 85 85 ASP HA H 85 4.192 4.192 4.557 -0.365 19288 6626 1 15 . 1 1 85 85 ASP C C 85 176.385 176.385 175.505 0.880 19288 6627 1 15 . 1 1 85 85 ASP CA C 85 56.789 56.789 54.572 2.217 19288 6628 1 15 . 1 1 85 85 ASP CB C 85 39.780 39.780 41.846 -2.066 19288 6629 1 15 . 1 1 85 85 ASP H H 85 8.682 8.682 8.031 0.651 19288 6630 1 15 . 1 1 86 86 SER N N 86 114.601 114.601 117.124 -2.523 19288 6631 1 15 . 1 1 86 86 SER HA H 86 4.183 4.183 4.836 -0.653 19288 6632 1 15 . 1 1 86 86 SER C C 86 179.169 179.169 172.386 6.783 19288 6633 1 15 . 1 1 86 86 SER CA C 86 60.939 60.939 55.286 5.653 19288 6634 1 15 . 1 1 86 86 SER CB C 86 62.823 62.823 64.750 -1.927 19288 6635 1 15 . 1 1 86 86 SER H H 86 7.200 7.200 7.841 -0.641 19288 6636 1 15 . 1 1 87 87 VAL HA H 87 2.698 2.698 4.231 -1.533 19288 6637 1 15 . 1 1 87 87 VAL C C 87 178.806 178.806 174.775 4.031 19288 6638 1 15 . 1 1 87 87 VAL CA C 87 66.028 66.028 62.215 3.813 19288 6639 1 15 . 1 1 87 87 VAL CB C 87 31.461 31.461 30.359 1.102 19288 6640 1 15 . 1 1 88 88 VAL N N 88 120.424 120.424 121.883 -1.459 19288 6641 1 15 . 1 1 88 88 VAL HA H 88 3.485 3.485 4.327 -0.842 19288 6642 1 15 . 1 1 88 88 VAL C C 88 176.208 176.208 174.796 1.412 19288 6643 1 15 . 1 1 88 88 VAL CA C 88 66.735 66.735 61.363 5.372 19288 6644 1 15 . 1 1 88 88 VAL CB C 88 31.948 31.948 33.714 -1.766 19288 6645 1 15 . 1 1 88 88 VAL H H 88 7.190 7.190 7.759 -0.569 19288 6646 1 16 . 1 1 10 10 HIS HA H 10 4.620 4.620 4.966 -0.346 19288 6647 1 16 . 1 1 10 10 HIS CA C 10 56.302 56.302 54.667 1.635 19288 6648 1 16 . 1 1 10 10 HIS CB C 10 30.312 30.312 31.831 -1.518 19288 6649 1 16 . 1 1 11 11 MET N N 11 121.464 121.464 124.176 -2.712 19288 6650 1 16 . 1 1 11 11 MET HA H 11 4.387 4.387 4.794 -0.407 19288 6651 1 16 . 1 1 11 11 MET CA C 11 55.835 55.835 55.648 0.187 19288 6652 1 16 . 1 1 11 11 MET CB C 11 32.794 32.794 34.521 -1.727 19288 6653 1 16 . 1 1 11 11 MET H H 11 8.178 8.178 8.154 0.024 19288 6654 1 16 . 1 1 12 12 ARG N N 12 121.614 121.614 120.482 1.132 19288 6655 1 16 . 1 1 12 12 ARG HA H 12 4.244 4.244 4.708 -0.464 19288 6656 1 16 . 1 1 12 12 ARG CA C 12 55.802 55.802 56.415 -0.613 19288 6657 1 16 . 1 1 12 12 ARG CB C 12 31.110 31.110 31.380 -0.270 19288 6658 1 16 . 1 1 12 12 ARG H H 12 8.209 8.209 8.919 -0.710 19288 6659 1 16 . 1 1 13 13 ASP N N 13 119.634 119.634 120.028 -0.394 19288 6660 1 16 . 1 1 13 13 ASP HA H 13 4.667 4.667 4.803 -0.136 19288 6661 1 16 . 1 1 13 13 ASP C C 13 175.723 175.723 174.019 1.704 19288 6662 1 16 . 1 1 13 13 ASP CA C 13 54.112 54.112 53.819 0.293 19288 6663 1 16 . 1 1 13 13 ASP CB C 13 42.459 42.459 42.273 0.186 19288 6664 1 16 . 1 1 13 13 ASP H H 13 7.858 7.858 7.705 0.153 19288 6665 1 16 . 1 1 14 14 TYR N N 14 120.932 120.932 120.387 0.545 19288 6666 1 16 . 1 1 14 14 TYR HA H 14 4.534 4.534 4.811 -0.277 19288 6667 1 16 . 1 1 14 14 TYR C C 14 174.767 174.767 176.046 -1.279 19288 6668 1 16 . 1 1 14 14 TYR CA C 14 57.521 57.521 57.822 -0.301 19288 6669 1 16 . 1 1 14 14 TYR CB C 14 38.608 38.608 42.638 -4.030 19288 6670 1 16 . 1 1 14 14 TYR H H 14 8.676 8.676 8.839 -0.163 19288 6671 1 16 . 1 1 15 15 ILE N N 15 124.585 124.585 120.114 4.471 19288 6672 1 16 . 1 1 15 15 ILE HA H 15 4.714 4.714 4.316 0.398 19288 6673 1 16 . 1 1 15 15 ILE C C 15 175.178 175.178 175.429 -0.251 19288 6674 1 16 . 1 1 15 15 ILE CA C 15 59.647 59.647 61.862 -2.216 19288 6675 1 16 . 1 1 15 15 ILE CB C 15 39.969 39.969 38.646 1.323 19288 6676 1 16 . 1 1 15 15 ILE H H 15 8.479 8.479 8.491 -0.012 19288 6677 1 16 . 1 1 16 16 CYS N N 16 129.411 129.411 116.116 13.295 19288 6678 1 16 . 1 1 16 16 CYS HA H 16 4.334 4.334 4.662 -0.328 19288 6679 1 16 . 1 1 16 16 CYS C C 16 174.675 174.675 174.750 -0.075 19288 6680 1 16 . 1 1 16 16 CYS CA C 16 61.303 61.303 58.147 3.156 19288 6681 1 16 . 1 1 16 16 CYS CB C 16 30.233 30.233 31.065 -0.832 19288 6682 1 16 . 1 1 16 16 CYS H H 16 9.141 9.141 7.828 1.313 19288 6683 1 16 . 1 1 17 17 GLU N N 17 133.830 133.830 123.172 10.658 19288 6684 1 16 . 1 1 17 17 GLU HA H 17 4.200 4.200 3.711 0.489 19288 6685 1 16 . 1 1 17 17 GLU C C 17 175.826 175.826 177.792 -1.966 19288 6686 1 16 . 1 1 17 17 GLU CA C 17 58.616 58.616 59.089 -0.473 19288 6687 1 16 . 1 1 17 17 GLU CB C 17 28.133 28.133 29.224 -1.091 19288 6688 1 16 . 1 1 17 17 GLU H H 17 10.744 10.744 8.796 1.948 19288 6689 1 16 . 1 1 18 18 TYR N N 18 121.850 121.850 120.904 0.946 19288 6690 1 16 . 1 1 18 18 TYR HA H 18 4.316 4.316 4.316 -0.000 19288 6691 1 16 . 1 1 18 18 TYR C C 18 176.782 176.782 178.241 -1.459 19288 6692 1 16 . 1 1 18 18 TYR CA C 18 60.371 60.371 61.873 -1.502 19288 6693 1 16 . 1 1 18 18 TYR CB C 18 37.374 37.374 38.201 -0.827 19288 6694 1 16 . 1 1 18 18 TYR H H 18 9.190 9.190 8.287 0.903 19288 6695 1 16 . 1 1 19 19 CYS N N 19 116.138 116.138 118.668 -2.530 19288 6696 1 16 . 1 1 19 19 CYS HA H 19 5.111 5.111 4.306 0.805 19288 6697 1 16 . 1 1 19 19 CYS C C 19 176.019 176.019 177.004 -0.985 19288 6698 1 16 . 1 1 19 19 CYS CA C 19 58.721 58.721 61.484 -2.763 19288 6699 1 16 . 1 1 19 19 CYS CB C 19 32.573 32.573 27.788 4.785 19288 6700 1 16 . 1 1 19 19 CYS H H 19 7.999 7.999 7.630 0.369 19288 6701 1 16 . 1 1 20 20 ALA N N 20 122.058 122.058 122.055 0.003 19288 6702 1 16 . 1 1 20 20 ALA HA H 20 4.140 4.140 3.622 0.518 19288 6703 1 16 . 1 1 20 20 ALA C C 20 177.014 177.014 178.574 -1.560 19288 6704 1 16 . 1 1 20 20 ALA CA C 20 54.584 54.584 54.691 -0.107 19288 6705 1 16 . 1 1 20 20 ALA CB C 20 17.127 17.127 18.428 -1.301 19288 6706 1 16 . 1 1 20 20 ALA H H 20 8.067 8.067 7.362 0.705 19288 6707 1 16 . 1 1 21 21 ARG N N 21 121.286 121.286 119.866 1.420 19288 6708 1 16 . 1 1 21 21 ARG HA H 21 4.003 4.003 4.030 -0.027 19288 6709 1 16 . 1 1 21 21 ARG C C 21 175.133 175.133 178.459 -3.326 19288 6710 1 16 . 1 1 21 21 ARG CA C 21 58.236 58.236 59.212 -0.976 19288 6711 1 16 . 1 1 21 21 ARG CB C 21 31.677 31.677 29.368 2.309 19288 6712 1 16 . 1 1 21 21 ARG H H 21 7.947 7.947 7.902 0.045 19288 6713 1 16 . 1 1 22 22 ALA N N 22 123.966 123.966 120.939 3.027 19288 6714 1 16 . 1 1 22 22 ALA HA H 22 5.008 5.008 3.821 1.187 19288 6715 1 16 . 1 1 22 22 ALA C C 22 175.750 175.750 179.385 -3.635 19288 6716 1 16 . 1 1 22 22 ALA CA C 22 50.811 50.811 56.136 -5.325 19288 6717 1 16 . 1 1 22 22 ALA CB C 22 21.928 21.928 18.068 3.860 19288 6718 1 16 . 1 1 22 22 ALA H H 22 7.968 7.968 7.542 0.426 19288 6719 1 16 . 1 1 23 23 PHE N N 23 118.728 118.728 120.429 -1.701 19288 6720 1 16 . 1 1 23 23 PHE HA H 23 4.678 4.678 4.162 0.516 19288 6721 1 16 . 1 1 23 23 PHE C C 23 173.852 173.852 177.326 -3.474 19288 6722 1 16 . 1 1 23 23 PHE CA C 23 57.367 57.367 61.787 -4.420 19288 6723 1 16 . 1 1 23 23 PHE CB C 23 43.458 43.458 39.380 4.078 19288 6724 1 16 . 1 1 23 23 PHE H H 23 9.004 9.004 7.933 1.071 19288 6725 1 16 . 1 1 24 24 LYS N N 24 119.176 119.176 115.999 3.177 19288 6726 1 16 . 1 1 24 24 LYS HA H 24 4.709 4.709 4.357 0.352 19288 6727 1 16 . 1 1 24 24 LYS C C 24 176.934 176.934 178.579 -1.645 19288 6728 1 16 . 1 1 24 24 LYS CA C 24 56.482 56.482 58.212 -1.730 19288 6729 1 16 . 1 1 24 24 LYS CB C 24 33.111 33.111 32.285 0.826 19288 6730 1 16 . 1 1 24 24 LYS H H 24 9.211 9.211 8.152 1.059 19288 6731 1 16 . 1 1 25 25 SER N N 25 110.950 110.950 117.017 -6.067 19288 6732 1 16 . 1 1 25 25 SER HA H 25 4.566 4.566 4.245 0.321 19288 6733 1 16 . 1 1 25 25 SER C C 25 175.671 175.671 175.385 0.286 19288 6734 1 16 . 1 1 25 25 SER CA C 25 55.683 55.683 61.161 -5.478 19288 6735 1 16 . 1 1 25 25 SER CB C 25 66.490 66.490 63.488 3.002 19288 6736 1 16 . 1 1 25 25 SER H H 25 7.474 7.474 7.304 0.170 19288 6737 1 16 . 1 1 26 26 SER N N 26 119.411 119.411 111.970 7.441 19288 6738 1 16 . 1 1 26 26 SER C C 26 176.269 176.269 175.770 0.499 19288 6739 1 16 . 1 1 26 26 SER CA C 26 60.616 60.616 59.987 0.629 19288 6740 1 16 . 1 1 26 26 SER CB C 26 61.758 61.758 61.092 0.666 19288 6741 1 16 . 1 1 26 26 SER H H 26 8.487 8.487 7.551 0.936 19288 6742 1 16 . 1 1 27 27 HIS HA H 27 4.258 4.258 4.417 -0.159 19288 6743 1 16 . 1 1 27 27 HIS C C 27 173.658 173.658 176.629 -2.971 19288 6744 1 16 . 1 1 27 27 HIS CA C 27 59.581 59.581 56.743 2.838 19288 6745 1 16 . 1 1 27 27 HIS CB C 27 29.913 29.913 28.806 1.107 19288 6746 1 16 . 1 1 28 28 ASN N N 28 117.126 117.126 116.614 0.512 19288 6747 1 16 . 1 1 28 28 ASN HA H 28 4.216 4.216 4.659 -0.443 19288 6748 1 16 . 1 1 28 28 ASN CA C 28 55.547 55.547 52.717 2.830 19288 6749 1 16 . 1 1 28 28 ASN CB C 28 37.634 37.634 37.338 0.296 19288 6750 1 16 . 1 1 28 28 ASN H H 28 7.681 7.681 7.609 0.072 19288 6751 1 16 . 1 1 29 29 LEU N N 29 121.121 121.121 120.938 0.183 19288 6752 1 16 . 1 1 29 29 LEU HA H 29 3.177 3.177 4.134 -0.957 19288 6753 1 16 . 1 1 29 29 LEU C C 29 176.205 176.205 176.830 -0.625 19288 6754 1 16 . 1 1 29 29 LEU CA C 29 57.893 57.893 54.496 3.397 19288 6755 1 16 . 1 1 29 29 LEU H H 29 7.300 7.300 7.292 0.008 19288 6756 1 16 . 1 1 30 30 ALA N N 30 122.058 122.058 118.629 3.429 19288 6757 1 16 . 1 1 30 30 ALA HA H 30 3.917 3.917 3.870 0.047 19288 6758 1 16 . 1 1 30 30 ALA C C 30 178.363 178.363 176.717 1.646 19288 6759 1 16 . 1 1 30 30 ALA CA C 30 55.487 55.487 53.722 1.765 19288 6760 1 16 . 1 1 30 30 ALA CB C 30 17.947 17.947 17.742 0.205 19288 6761 1 16 . 1 1 30 30 ALA H H 30 7.987 7.987 8.314 -0.327 19288 6762 1 16 . 1 1 31 31 VAL N N 31 116.442 116.442 119.546 -3.104 19288 6763 1 16 . 1 1 31 31 VAL HA H 31 3.556 3.556 4.516 -0.960 19288 6764 1 16 . 1 1 31 31 VAL C C 31 176.352 176.352 174.866 1.486 19288 6765 1 16 . 1 1 31 31 VAL CA C 31 65.936 65.936 59.480 6.456 19288 6766 1 16 . 1 1 31 31 VAL CB C 31 32.281 32.281 32.049 0.232 19288 6767 1 16 . 1 1 31 31 VAL H H 31 7.636 7.636 7.520 0.116 19288 6768 1 16 . 1 1 32 32 HIS HA H 32 4.125 4.125 4.423 -0.298 19288 6769 1 16 . 1 1 32 32 HIS C C 32 180.696 180.696 175.067 5.629 19288 6770 1 16 . 1 1 32 32 HIS CA C 32 59.377 59.377 57.050 2.328 19288 6771 1 16 . 1 1 32 32 HIS CB C 32 28.332 28.332 30.297 -1.964 19288 6772 1 16 . 1 1 33 33 ARG N N 33 115.795 115.795 119.221 -3.426 19288 6773 1 16 . 1 1 33 33 ARG HA H 33 3.658 3.658 4.706 -1.048 19288 6774 1 16 . 1 1 33 33 ARG C C 33 178.735 178.735 173.972 4.763 19288 6775 1 16 . 1 1 33 33 ARG CA C 33 60.012 60.012 56.014 3.998 19288 6776 1 16 . 1 1 33 33 ARG CB C 33 31.144 31.144 30.341 0.803 19288 6777 1 16 . 1 1 33 33 ARG H H 33 8.633 8.633 8.199 0.434 19288 6778 1 16 . 1 1 34 34 MET N N 34 115.672 115.672 118.757 -3.085 19288 6779 1 16 . 1 1 34 34 MET HA H 34 4.211 4.211 5.221 -1.010 19288 6780 1 16 . 1 1 34 34 MET C C 34 176.427 176.427 175.344 1.083 19288 6781 1 16 . 1 1 34 34 MET CA C 34 57.866 57.866 52.929 4.937 19288 6782 1 16 . 1 1 34 34 MET CB C 34 32.221 32.221 35.808 -3.587 19288 6783 1 16 . 1 1 34 34 MET H H 34 7.057 7.057 7.712 -0.655 19288 6784 1 16 . 1 1 35 35 ILE N N 35 116.381 116.381 123.856 -7.475 19288 6785 1 16 . 1 1 35 35 ILE HA H 35 3.904 3.904 4.204 -0.300 19288 6786 1 16 . 1 1 35 35 ILE C C 35 177.504 177.504 175.693 1.811 19288 6787 1 16 . 1 1 35 35 ILE CA C 35 63.402 63.402 62.475 0.927 19288 6788 1 16 . 1 1 35 35 ILE CB C 35 37.724 37.724 38.730 -1.006 19288 6789 1 16 . 1 1 35 35 ILE H H 35 7.811 7.811 8.761 -0.950 19288 6790 1 16 . 1 1 36 36 HIS N N 36 117.423 117.423 123.947 -6.524 19288 6791 1 16 . 1 1 36 36 HIS HA H 36 4.481 4.481 4.775 -0.294 19288 6792 1 16 . 1 1 36 36 HIS C C 36 178.413 178.413 173.179 5.234 19288 6793 1 16 . 1 1 36 36 HIS CA C 36 55.260 55.260 55.976 -0.716 19288 6794 1 16 . 1 1 36 36 HIS CB C 36 28.066 28.066 30.135 -2.069 19288 6795 1 16 . 1 1 36 36 HIS H H 36 7.247 7.247 8.541 -1.294 19288 6796 1 16 . 1 1 37 37 THR N N 37 110.804 110.804 116.425 -5.621 19288 6797 1 16 . 1 1 37 37 THR HA H 37 4.160 4.160 4.127 0.033 19288 6798 1 16 . 1 1 37 37 THR C C 37 177.179 177.179 173.406 3.773 19288 6799 1 16 . 1 1 37 37 THR CA C 37 62.791 62.791 62.431 0.360 19288 6800 1 16 . 1 1 37 37 THR CB C 37 69.712 69.712 72.068 -2.356 19288 6801 1 16 . 1 1 37 37 THR H H 37 7.553 7.553 7.753 -0.200 19288 6802 1 16 . 1 1 38 38 GLY N N 38 110.842 110.842 109.161 1.681 19288 6803 1 16 . 1 1 38 38 GLY C C 38 175.821 175.821 175.784 0.037 19288 6804 1 16 . 1 1 38 38 GLY CA C 38 45.403 45.403 41.890 3.513 19288 6805 1 16 . 1 1 38 38 GLY H H 38 8.195 8.195 7.890 0.305 19288 6806 1 16 . 1 1 39 39 GLU N N 39 120.441 120.441 125.335 -4.894 19288 6807 1 16 . 1 1 39 39 GLU HA H 39 4.238 4.238 4.375 -0.137 19288 6808 1 16 . 1 1 39 39 GLU C C 39 175.390 175.390 174.981 0.409 19288 6809 1 16 . 1 1 39 39 GLU CA C 39 56.572 56.572 56.788 -0.216 19288 6810 1 16 . 1 1 39 39 GLU H H 39 7.953 7.953 8.853 -0.900 19288 6811 1 16 . 1 1 40 40 LYS N N 40 123.624 123.624 127.203 -3.579 19288 6812 1 16 . 1 1 40 40 LYS HA H 40 4.534 4.534 4.432 0.102 19288 6813 1 16 . 1 1 40 40 LYS C C 40 174.124 174.124 174.885 -0.761 19288 6814 1 16 . 1 1 40 40 LYS CA C 40 54.236 54.236 54.755 -0.519 19288 6815 1 16 . 1 1 40 40 LYS CB C 40 32.769 32.769 33.852 -1.083 19288 6816 1 16 . 1 1 40 40 LYS H H 40 8.321 8.321 8.410 -0.089 19288 6817 1 16 . 1 1 41 41 PRO HA H 41 4.404 4.404 4.581 -0.177 19288 6818 1 16 . 1 1 41 41 PRO C C 41 176.103 176.103 175.823 0.280 19288 6819 1 16 . 1 1 41 41 PRO CA C 41 63.174 63.174 63.074 0.100 19288 6820 1 16 . 1 1 41 41 PRO CB C 41 32.306 32.306 32.156 0.150 19288 6821 1 16 . 1 1 42 42 LEU N N 42 122.177 122.177 126.583 -4.406 19288 6822 1 16 . 1 1 42 42 LEU HA H 42 4.381 4.381 4.446 -0.065 19288 6823 1 16 . 1 1 42 42 LEU CA C 42 54.626 54.626 52.057 2.569 19288 6824 1 16 . 1 1 42 42 LEU CB C 42 42.719 42.719 44.630 -1.911 19288 6825 1 16 . 1 1 42 42 LEU H H 42 8.293 8.293 8.658 -0.365 19288 6826 1 16 . 1 1 43 43 GLN N N 43 119.188 119.188 119.114 0.074 19288 6827 1 16 . 1 1 43 43 GLN HA H 43 5.181 5.181 4.374 0.807 19288 6828 1 16 . 1 1 43 43 GLN C C 43 176.325 176.325 175.438 0.887 19288 6829 1 16 . 1 1 43 43 GLN CA C 43 53.898 53.898 55.859 -1.962 19288 6830 1 16 . 1 1 43 43 GLN CB C 43 32.969 32.969 28.912 4.057 19288 6831 1 16 . 1 1 43 43 GLN H H 43 8.180 8.180 8.517 -0.337 19288 6832 1 16 . 1 1 44 44 CYS N N 44 127.346 127.346 120.699 6.647 19288 6833 1 16 . 1 1 44 44 CYS HA H 44 4.453 4.453 4.752 -0.299 19288 6834 1 16 . 1 1 44 44 CYS C C 44 175.677 175.677 174.685 0.992 19288 6835 1 16 . 1 1 44 44 CYS CA C 44 59.437 59.437 57.630 1.807 19288 6836 1 16 . 1 1 44 44 CYS CB C 44 30.721 30.721 29.438 1.283 19288 6837 1 16 . 1 1 44 44 CYS H H 44 9.299 9.299 7.485 1.814 19288 6838 1 16 . 1 1 45 45 GLU N N 45 131.846 131.846 124.601 7.245 19288 6839 1 16 . 1 1 45 45 GLU HA H 45 4.178 4.178 4.031 0.147 19288 6840 1 16 . 1 1 45 45 GLU C C 45 174.655 174.655 177.480 -2.825 19288 6841 1 16 . 1 1 45 45 GLU CA C 45 58.342 58.342 59.484 -1.142 19288 6842 1 16 . 1 1 45 45 GLU CB C 45 29.819 29.819 29.168 0.651 19288 6843 1 16 . 1 1 45 45 GLU H H 45 9.602 9.602 9.084 0.518 19288 6844 1 16 . 1 1 46 46 ILE N N 46 121.898 121.898 120.002 1.896 19288 6845 1 16 . 1 1 46 46 ILE HA H 46 3.840 3.840 3.954 -0.114 19288 6846 1 16 . 1 1 46 46 ILE C C 46 177.404 177.404 178.306 -0.902 19288 6847 1 16 . 1 1 46 46 ILE CA C 46 63.494 63.494 64.248 -0.754 19288 6848 1 16 . 1 1 46 46 ILE CB C 46 38.461 38.461 36.883 1.578 19288 6849 1 16 . 1 1 46 46 ILE H H 46 8.973 8.973 8.664 0.309 19288 6850 1 16 . 1 1 47 47 CYS N N 47 117.274 117.274 118.665 -1.391 19288 6851 1 16 . 1 1 47 47 CYS HA H 47 5.231 5.231 4.269 0.962 19288 6852 1 16 . 1 1 47 47 CYS C C 47 176.087 176.087 177.297 -1.210 19288 6853 1 16 . 1 1 47 47 CYS CA C 47 58.455 58.455 62.046 -3.591 19288 6854 1 16 . 1 1 47 47 CYS CB C 47 33.590 33.590 27.623 5.967 19288 6855 1 16 . 1 1 47 47 CYS H H 47 8.432 8.432 7.647 0.785 19288 6856 1 16 . 1 1 48 48 GLY N N 48 112.655 112.655 109.148 3.507 19288 6857 1 16 . 1 1 48 48 GLY C C 48 177.177 177.177 176.824 0.353 19288 6858 1 16 . 1 1 48 48 GLY CA C 48 46.253 46.253 48.271 -2.018 19288 6859 1 16 . 1 1 48 48 GLY H H 48 8.016 8.016 7.700 0.316 19288 6860 1 16 . 1 1 49 49 PHE N N 49 125.000 125.000 118.413 6.587 19288 6861 1 16 . 1 1 49 49 PHE HA H 49 4.272 4.272 4.185 0.087 19288 6862 1 16 . 1 1 49 49 PHE C C 49 176.313 176.313 177.332 -1.019 19288 6863 1 16 . 1 1 49 49 PHE CA C 49 59.750 59.750 60.707 -0.957 19288 6864 1 16 . 1 1 49 49 PHE CB C 49 41.278 41.278 38.659 2.619 19288 6865 1 16 . 1 1 49 49 PHE H H 49 8.333 8.333 8.222 0.111 19288 6866 1 16 . 1 1 50 50 THR N N 50 118.297 118.297 110.769 7.528 19288 6867 1 16 . 1 1 50 50 THR HA H 50 5.150 5.150 4.327 0.823 19288 6868 1 16 . 1 1 50 50 THR C C 50 173.480 173.480 175.856 -2.376 19288 6869 1 16 . 1 1 50 50 THR CA C 50 59.186 59.186 63.536 -4.350 19288 6870 1 16 . 1 1 50 50 THR CB C 50 71.954 71.954 69.345 2.609 19288 6871 1 16 . 1 1 50 50 THR H H 50 7.336 7.336 7.445 -0.109 19288 6872 1 16 . 1 1 51 51 CYS N N 51 115.101 115.101 119.453 -4.352 19288 6873 1 16 . 1 1 51 51 CYS HA H 51 4.540 4.540 4.255 0.285 19288 6874 1 16 . 1 1 51 51 CYS C C 51 173.381 173.381 177.107 -3.726 19288 6875 1 16 . 1 1 51 51 CYS CA C 51 56.305 56.305 62.354 -6.049 19288 6876 1 16 . 1 1 51 51 CYS CB C 51 30.578 30.578 28.470 2.108 19288 6877 1 16 . 1 1 51 51 CYS H H 51 8.318 8.318 7.319 0.999 19288 6878 1 16 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.061 0.505 19288 6879 1 16 . 1 1 52 52 ARG C C 52 172.494 172.494 176.972 -4.478 19288 6880 1 16 . 1 1 52 52 ARG CA C 52 56.923 56.923 59.985 -3.062 19288 6881 1 16 . 1 1 52 52 ARG CB C 52 31.891 31.891 30.213 1.678 19288 6882 1 16 . 1 1 53 53 GLN N N 53 115.534 115.534 117.360 -1.826 19288 6883 1 16 . 1 1 53 53 GLN HA H 53 4.719 4.719 4.030 0.689 19288 6884 1 16 . 1 1 53 53 GLN CA C 53 54.637 54.637 58.347 -3.710 19288 6885 1 16 . 1 1 53 53 GLN CB C 53 30.904 30.904 28.055 2.849 19288 6886 1 16 . 1 1 53 53 GLN H H 53 7.649 7.649 8.301 -0.652 19288 6887 1 16 . 1 1 54 54 LYS N N 54 127.065 127.065 117.653 9.412 19288 6888 1 16 . 1 1 54 54 LYS HA H 54 3.771 3.771 4.021 -0.250 19288 6889 1 16 . 1 1 54 54 LYS C C 54 176.035 176.035 178.149 -2.114 19288 6890 1 16 . 1 1 54 54 LYS CA C 54 59.833 59.833 58.115 1.718 19288 6891 1 16 . 1 1 54 54 LYS CB C 54 32.087 32.087 31.775 0.312 19288 6892 1 16 . 1 1 54 54 LYS H H 54 9.132 9.132 7.457 1.675 19288 6893 1 16 . 1 1 55 55 ALA N N 55 120.230 120.230 119.985 0.245 19288 6894 1 16 . 1 1 55 55 ALA HA H 55 4.135 4.135 4.357 -0.222 19288 6895 1 16 . 1 1 55 55 ALA C C 55 176.728 176.728 178.640 -1.912 19288 6896 1 16 . 1 1 55 55 ALA CA C 55 55.456 55.456 52.923 2.533 19288 6897 1 16 . 1 1 55 55 ALA CB C 55 18.224 18.224 18.315 -0.091 19288 6898 1 16 . 1 1 55 55 ALA H H 55 9.016 9.016 7.034 1.982 19288 6899 1 16 . 1 1 56 56 SER N N 56 112.225 112.225 116.717 -4.492 19288 6900 1 16 . 1 1 56 56 SER HA H 56 4.509 4.509 4.191 0.318 19288 6901 1 16 . 1 1 56 56 SER C C 56 178.309 178.309 175.576 2.733 19288 6902 1 16 . 1 1 56 56 SER CA C 56 61.172 61.172 61.237 -0.065 19288 6903 1 16 . 1 1 56 56 SER CB C 56 62.925 62.925 63.294 -0.369 19288 6904 1 16 . 1 1 56 56 SER H H 56 7.097 7.097 7.454 -0.357 19288 6905 1 16 . 1 1 57 57 LEU N N 57 126.317 126.317 117.524 8.793 19288 6906 1 16 . 1 1 57 57 LEU HA H 57 4.327 4.327 4.443 -0.116 19288 6907 1 16 . 1 1 57 57 LEU C C 57 180.642 180.642 176.244 4.398 19288 6908 1 16 . 1 1 57 57 LEU CA C 57 58.038 58.038 55.657 2.381 19288 6909 1 16 . 1 1 57 57 LEU CB C 57 41.443 41.443 41.675 -0.232 19288 6910 1 16 . 1 1 57 57 LEU H H 57 7.667 7.667 8.322 -0.655 19288 6911 1 16 . 1 1 58 58 ASN N N 58 118.325 118.325 116.346 1.979 19288 6912 1 16 . 1 1 58 58 ASN HA H 58 4.364 4.364 5.245 -0.881 19288 6913 1 16 . 1 1 58 58 ASN C C 58 176.770 176.770 175.930 0.840 19288 6914 1 16 . 1 1 58 58 ASN CA C 58 56.457 56.457 52.857 3.600 19288 6915 1 16 . 1 1 58 58 ASN CB C 58 37.852 37.852 38.473 -0.621 19288 6916 1 16 . 1 1 58 58 ASN H H 58 8.533 8.533 7.433 1.100 19288 6917 1 16 . 1 1 59 59 TRP N N 59 119.802 119.802 121.367 -1.565 19288 6918 1 16 . 1 1 59 59 TRP HA H 59 4.349 4.349 4.519 -0.170 19288 6919 1 16 . 1 1 59 59 TRP C C 59 178.160 178.160 176.806 1.354 19288 6920 1 16 . 1 1 59 59 TRP CA C 59 60.432 60.432 58.917 1.515 19288 6921 1 16 . 1 1 59 59 TRP CB C 59 29.304 29.304 29.037 0.267 19288 6922 1 16 . 1 1 59 59 TRP H H 59 7.914 7.914 8.053 -0.139 19288 6923 1 16 . 1 1 60 60 HIS N N 60 119.175 119.175 116.302 2.873 19288 6924 1 16 . 1 1 60 60 HIS HA H 60 3.675 3.675 4.144 -0.469 19288 6925 1 16 . 1 1 60 60 HIS C C 60 174.721 174.721 175.362 -0.641 19288 6926 1 16 . 1 1 60 60 HIS CA C 60 60.038 60.038 58.072 1.966 19288 6927 1 16 . 1 1 60 60 HIS CB C 60 28.143 28.143 29.637 -1.494 19288 6928 1 16 . 1 1 60 60 HIS H H 60 8.131 8.131 7.576 0.555 19288 6929 1 16 . 1 1 61 61 MET N N 61 114.602 114.602 117.120 -2.518 19288 6930 1 16 . 1 1 61 61 MET HA H 61 4.127 4.127 4.627 -0.500 19288 6931 1 16 . 1 1 61 61 MET C C 61 178.337 178.337 175.561 2.776 19288 6932 1 16 . 1 1 61 61 MET CA C 61 57.177 57.177 54.233 2.944 19288 6933 1 16 . 1 1 61 61 MET CB C 61 30.085 30.085 31.330 -1.245 19288 6934 1 16 . 1 1 61 61 MET H H 61 8.448 8.448 7.607 0.841 19288 6935 1 16 . 1 1 62 62 LYS N N 62 118.858 118.858 121.549 -2.691 19288 6936 1 16 . 1 1 62 62 LYS HA H 62 3.998 3.998 3.882 0.116 19288 6937 1 16 . 1 1 62 62 LYS C C 62 176.716 176.716 176.126 0.590 19288 6938 1 16 . 1 1 62 62 LYS CA C 62 58.512 58.512 59.263 -0.751 19288 6939 1 16 . 1 1 62 62 LYS CB C 62 31.694 31.694 33.190 -1.496 19288 6940 1 16 . 1 1 62 62 LYS H H 62 7.285 7.285 8.597 -1.312 19288 6941 1 16 . 1 1 63 63 LYS N N 63 117.683 117.683 113.940 3.743 19288 6942 1 16 . 1 1 63 63 LYS HA H 63 3.793 3.793 4.363 -0.570 19288 6943 1 16 . 1 1 63 63 LYS C C 63 179.150 179.150 174.434 4.716 19288 6944 1 16 . 1 1 63 63 LYS CA C 63 57.827 57.827 55.958 1.869 19288 6945 1 16 . 1 1 63 63 LYS CB C 63 31.272 31.272 36.633 -5.361 19288 6946 1 16 . 1 1 63 63 LYS H H 63 7.516 7.516 7.583 -0.067 19288 6947 1 16 . 1 1 64 64 HIS N N 64 115.200 115.200 120.671 -5.471 19288 6948 1 16 . 1 1 64 64 HIS HA H 64 4.708 4.708 4.934 -0.226 19288 6949 1 16 . 1 1 64 64 HIS C C 64 178.727 178.727 172.966 5.761 19288 6950 1 16 . 1 1 64 64 HIS CA C 64 55.628 55.628 55.289 0.339 19288 6951 1 16 . 1 1 64 64 HIS CB C 64 28.782 28.782 33.337 -4.555 19288 6952 1 16 . 1 1 64 64 HIS H H 64 7.155 7.155 8.830 -1.675 19288 6953 1 16 . 1 1 65 65 ASP N N 65 120.441 120.441 121.537 -1.096 19288 6954 1 16 . 1 1 65 65 ASP HA H 65 4.503 4.503 4.873 -0.370 19288 6955 1 16 . 1 1 65 65 ASP C C 65 177.648 177.648 176.568 1.080 19288 6956 1 16 . 1 1 65 65 ASP CA C 65 55.296 55.296 53.462 1.834 19288 6957 1 16 . 1 1 65 65 ASP CB C 65 41.122 41.122 43.620 -2.498 19288 6958 1 16 . 1 1 65 65 ASP H H 65 7.653 7.653 8.605 -0.952 19288 6959 1 16 . 1 1 66 66 ALA N N 66 123.184 123.184 129.797 -6.613 19288 6960 1 16 . 1 1 66 66 ALA HA H 66 4.141 4.141 4.213 -0.072 19288 6961 1 16 . 1 1 66 66 ALA C C 66 175.172 175.172 178.792 -3.620 19288 6962 1 16 . 1 1 66 66 ALA CA C 66 53.693 53.693 54.539 -0.846 19288 6963 1 16 . 1 1 66 66 ALA CB C 66 19.049 19.049 18.925 0.123 19288 6964 1 16 . 1 1 66 66 ALA H H 66 8.088 8.088 8.642 -0.554 19288 6965 1 16 . 1 1 67 67 ASP N N 67 117.608 117.608 119.800 -2.192 19288 6966 1 16 . 1 1 67 67 ASP HA H 67 4.175 4.175 4.486 -0.311 19288 6967 1 16 . 1 1 67 67 ASP C C 67 176.687 176.687 176.521 0.166 19288 6968 1 16 . 1 1 67 67 ASP CA C 67 54.842 54.842 55.546 -0.704 19288 6969 1 16 . 1 1 67 67 ASP CB C 67 40.957 40.957 41.454 -0.497 19288 6970 1 16 . 1 1 67 67 ASP H H 67 7.999 7.999 8.420 -0.421 19288 6971 1 16 . 1 1 68 68 SER N N 68 114.794 114.794 112.175 2.619 19288 6972 1 16 . 1 1 68 68 SER HA H 68 4.145 4.145 4.761 -0.616 19288 6973 1 16 . 1 1 68 68 SER C C 68 178.056 178.056 174.398 3.658 19288 6974 1 16 . 1 1 68 68 SER CA C 68 59.397 59.397 56.621 2.776 19288 6975 1 16 . 1 1 68 68 SER CB C 68 63.682 63.682 64.924 -1.242 19288 6976 1 16 . 1 1 68 68 SER H H 68 7.797 7.797 7.806 -0.009 19288 6977 1 16 . 1 1 69 69 PHE N N 69 120.277 120.277 121.725 -1.448 19288 6978 1 16 . 1 1 69 69 PHE HA H 69 4.474 4.474 4.480 -0.006 19288 6979 1 16 . 1 1 69 69 PHE C C 69 176.959 176.959 174.956 2.003 19288 6980 1 16 . 1 1 69 69 PHE CA C 69 58.048 58.048 58.241 -0.193 19288 6981 1 16 . 1 1 69 69 PHE H H 69 7.850 7.850 8.416 -0.566 19288 6982 1 16 . 1 1 70 70 TYR N N 70 121.023 121.023 120.059 0.964 19288 6983 1 16 . 1 1 70 70 TYR HA H 70 4.494 4.494 3.997 0.497 19288 6984 1 16 . 1 1 70 70 TYR C C 70 174.330 174.330 175.242 -0.912 19288 6985 1 16 . 1 1 70 70 TYR CA C 70 56.491 56.491 57.549 -1.058 19288 6986 1 16 . 1 1 70 70 TYR CB C 70 37.727 37.727 39.617 -1.890 19288 6987 1 16 . 1 1 70 70 TYR H H 70 7.818 7.818 8.170 -0.352 19288 6988 1 16 . 1 1 71 71 GLN N N 71 119.046 119.046 119.056 -0.010 19288 6989 1 16 . 1 1 71 71 GLN HA H 71 4.085 4.085 4.223 -0.138 19288 6990 1 16 . 1 1 71 71 GLN C C 71 175.830 175.830 174.295 1.535 19288 6991 1 16 . 1 1 71 71 GLN CA C 71 56.485 56.485 56.571 -0.086 19288 6992 1 16 . 1 1 71 71 GLN CB C 71 30.291 30.291 26.599 3.692 19288 6993 1 16 . 1 1 71 71 GLN H H 71 8.352 8.352 7.719 0.633 19288 6994 1 16 . 1 1 72 72 PHE N N 72 117.779 117.779 119.084 -1.305 19288 6995 1 16 . 1 1 72 72 PHE HA H 72 4.850 4.850 4.726 0.124 19288 6996 1 16 . 1 1 72 72 PHE C C 72 176.323 176.323 174.799 1.524 19288 6997 1 16 . 1 1 72 72 PHE CA C 72 57.157 57.157 56.266 0.891 19288 6998 1 16 . 1 1 72 72 PHE CB C 72 41.106 41.106 42.817 -1.711 19288 6999 1 16 . 1 1 72 72 PHE H H 72 7.901 7.901 7.725 0.176 19288 7000 1 16 . 1 1 73 73 SER N N 73 114.707 114.707 114.664 0.043 19288 7001 1 16 . 1 1 73 73 SER HA H 73 5.469 5.469 4.586 0.883 19288 7002 1 16 . 1 1 73 73 SER C C 73 175.151 175.151 173.814 1.337 19288 7003 1 16 . 1 1 73 73 SER CA C 73 57.026 57.026 58.849 -1.823 19288 7004 1 16 . 1 1 73 73 SER CB C 73 65.963 65.963 64.015 1.948 19288 7005 1 16 . 1 1 73 73 SER H H 73 8.744 8.744 8.623 0.121 19288 7006 1 16 . 1 1 74 74 CYS N N 74 124.143 124.143 115.953 8.190 19288 7007 1 16 . 1 1 74 74 CYS HA H 74 4.391 4.391 4.581 -0.190 19288 7008 1 16 . 1 1 74 74 CYS C C 74 174.848 174.848 174.484 0.364 19288 7009 1 16 . 1 1 74 74 CYS CA C 74 59.743 59.743 57.434 2.309 19288 7010 1 16 . 1 1 74 74 CYS CB C 74 30.581 30.581 30.161 0.420 19288 7011 1 16 . 1 1 74 74 CYS H H 74 9.154 9.154 7.521 1.633 19288 7012 1 16 . 1 1 75 75 ASN HA H 75 4.501 4.501 4.074 0.427 19288 7013 1 16 . 1 1 75 75 ASN C C 75 173.664 173.664 176.488 -2.824 19288 7014 1 16 . 1 1 75 75 ASN CA C 75 55.316 55.316 56.177 -0.861 19288 7015 1 16 . 1 1 75 75 ASN CB C 75 36.774 36.774 37.941 -1.167 19288 7016 1 16 . 1 1 76 76 ILE N N 76 123.143 123.143 119.480 3.663 19288 7017 1 16 . 1 1 76 76 ILE HA H 76 3.908 3.908 3.852 0.056 19288 7018 1 16 . 1 1 76 76 ILE CA C 76 63.223 63.223 64.633 -1.410 19288 7019 1 16 . 1 1 76 76 ILE CB C 76 38.269 38.269 37.390 0.879 19288 7020 1 16 . 1 1 76 76 ILE H H 76 8.921 8.921 8.354 0.567 19288 7021 1 16 . 1 1 77 77 CYS N N 77 116.298 116.298 118.664 -2.366 19288 7022 1 16 . 1 1 77 77 CYS HA H 77 5.159 5.159 3.934 1.225 19288 7023 1 16 . 1 1 77 77 CYS C C 77 174.401 174.401 176.294 -1.893 19288 7024 1 16 . 1 1 77 77 CYS CA C 77 58.394 58.394 61.483 -3.089 19288 7025 1 16 . 1 1 77 77 CYS CB C 77 32.743 32.743 27.072 5.671 19288 7026 1 16 . 1 1 77 77 CYS H H 77 8.243 8.243 7.451 0.792 19288 7027 1 16 . 1 1 78 78 GLY N N 78 113.607 113.607 111.113 2.494 19288 7028 1 16 . 1 1 78 78 GLY C C 78 176.862 176.862 176.256 0.606 19288 7029 1 16 . 1 1 78 78 GLY CA C 78 46.321 46.321 49.092 -2.771 19288 7030 1 16 . 1 1 78 78 GLY H H 78 8.060 8.060 7.180 0.880 19288 7031 1 16 . 1 1 79 79 LYS N N 79 123.134 123.134 120.126 3.008 19288 7032 1 16 . 1 1 79 79 LYS HA H 79 3.950 3.950 3.796 0.154 19288 7033 1 16 . 1 1 79 79 LYS C C 79 176.484 176.484 178.330 -1.846 19288 7034 1 16 . 1 1 79 79 LYS CA C 79 58.342 58.342 60.617 -2.275 19288 7035 1 16 . 1 1 79 79 LYS CB C 79 33.770 33.770 31.578 2.192 19288 7036 1 16 . 1 1 79 79 LYS H H 79 7.977 7.977 8.071 -0.094 19288 7037 1 16 . 1 1 80 80 LYS N N 80 121.440 121.440 119.507 1.933 19288 7038 1 16 . 1 1 80 80 LYS HA H 80 4.884 4.884 4.025 0.859 19288 7039 1 16 . 1 1 80 80 LYS C C 80 173.961 173.961 178.649 -4.688 19288 7040 1 16 . 1 1 80 80 LYS CA C 80 55.524 55.524 59.471 -3.947 19288 7041 1 16 . 1 1 80 80 LYS CB C 80 35.024 35.024 31.556 3.467 19288 7042 1 16 . 1 1 80 80 LYS H H 80 7.918 7.918 7.349 0.569 19288 7043 1 16 . 1 1 81 81 PHE N N 81 116.724 116.724 119.793 -3.069 19288 7044 1 16 . 1 1 81 81 PHE HA H 81 4.598 4.598 4.354 0.244 19288 7045 1 16 . 1 1 81 81 PHE C C 81 174.541 174.541 178.043 -3.502 19288 7046 1 16 . 1 1 81 81 PHE CA C 81 57.359 57.359 61.723 -4.364 19288 7047 1 16 . 1 1 81 81 PHE CB C 81 44.738 44.738 39.439 5.299 19288 7048 1 16 . 1 1 81 81 PHE H H 81 8.725 8.725 7.746 0.979 19288 7049 1 16 . 1 1 82 82 GLU N N 82 120.474 120.474 118.655 1.819 19288 7050 1 16 . 1 1 82 82 GLU HA H 82 4.155 4.155 4.356 -0.201 19288 7051 1 16 . 1 1 82 82 GLU C C 82 175.832 175.832 177.143 -1.311 19288 7052 1 16 . 1 1 82 82 GLU CA C 82 57.900 57.900 58.649 -0.749 19288 7053 1 16 . 1 1 82 82 GLU CB C 82 30.829 30.829 29.767 1.062 19288 7054 1 16 . 1 1 82 82 GLU H H 82 8.775 8.775 8.482 0.293 19288 7055 1 16 . 1 1 83 83 LYS N N 83 114.607 114.607 117.522 -2.915 19288 7056 1 16 . 1 1 83 83 LYS HA H 83 4.607 4.607 4.326 0.281 19288 7057 1 16 . 1 1 83 83 LYS C C 83 174.585 174.585 177.448 -2.863 19288 7058 1 16 . 1 1 83 83 LYS CA C 83 54.369 54.369 58.475 -4.106 19288 7059 1 16 . 1 1 83 83 LYS CB C 83 35.540 35.540 32.833 2.707 19288 7060 1 16 . 1 1 83 83 LYS H H 83 7.547 7.547 7.807 -0.260 19288 7061 1 16 . 1 1 84 84 LYS N N 84 124.921 124.921 118.552 6.369 19288 7062 1 16 . 1 1 84 84 LYS HA H 84 3.073 3.073 4.207 -1.134 19288 7063 1 16 . 1 1 84 84 LYS C C 84 176.545 176.545 178.390 -1.845 19288 7064 1 16 . 1 1 84 84 LYS CA C 84 59.680 59.680 58.346 1.334 19288 7065 1 16 . 1 1 84 84 LYS CB C 84 31.920 31.920 32.868 -0.948 19288 7066 1 16 . 1 1 84 84 LYS H H 84 8.162 8.162 7.618 0.544 19288 7067 1 16 . 1 1 85 85 ASP N N 85 116.468 116.468 117.492 -1.024 19288 7068 1 16 . 1 1 85 85 ASP HA H 85 4.192 4.192 4.351 -0.159 19288 7069 1 16 . 1 1 85 85 ASP C C 85 176.385 176.385 175.998 0.387 19288 7070 1 16 . 1 1 85 85 ASP CA C 85 56.789 56.789 55.595 1.194 19288 7071 1 16 . 1 1 85 85 ASP CB C 85 39.780 39.780 41.158 -1.378 19288 7072 1 16 . 1 1 85 85 ASP H H 85 8.682 8.682 7.929 0.753 19288 7073 1 16 . 1 1 86 86 SER N N 86 114.601 114.601 116.900 -2.299 19288 7074 1 16 . 1 1 86 86 SER HA H 86 4.183 4.183 4.788 -0.605 19288 7075 1 16 . 1 1 86 86 SER C C 86 179.169 179.169 172.203 6.966 19288 7076 1 16 . 1 1 86 86 SER CA C 86 60.939 60.939 54.953 5.986 19288 7077 1 16 . 1 1 86 86 SER CB C 86 62.823 62.823 63.548 -0.725 19288 7078 1 16 . 1 1 86 86 SER H H 86 7.200 7.200 7.555 -0.355 19288 7079 1 16 . 1 1 87 87 VAL HA H 87 2.698 2.698 4.149 -1.451 19288 7080 1 16 . 1 1 87 87 VAL C C 87 178.806 178.806 175.285 3.521 19288 7081 1 16 . 1 1 87 87 VAL CA C 87 66.028 66.028 62.297 3.731 19288 7082 1 16 . 1 1 87 87 VAL CB C 87 31.461 31.461 30.895 0.567 19288 7083 1 16 . 1 1 88 88 VAL N N 88 120.424 120.424 123.953 -3.529 19288 7084 1 16 . 1 1 88 88 VAL HA H 88 3.485 3.485 4.094 -0.609 19288 7085 1 16 . 1 1 88 88 VAL C C 88 176.208 176.208 175.393 0.815 19288 7086 1 16 . 1 1 88 88 VAL CA C 88 66.735 66.735 62.800 3.935 19288 7087 1 16 . 1 1 88 88 VAL CB C 88 31.948 31.948 31.441 0.507 19288 7088 1 16 . 1 1 88 88 VAL H H 88 7.190 7.190 8.177 -0.987 19288 7089 1 17 . 1 1 10 10 HIS HA H 10 4.620 4.620 4.975 -0.355 19288 7090 1 17 . 1 1 10 10 HIS CA C 10 56.302 56.302 55.224 1.079 19288 7091 1 17 . 1 1 10 10 HIS CB C 10 30.312 30.312 30.731 -0.419 19288 7092 1 17 . 1 1 11 11 MET N N 11 121.464 121.464 123.119 -1.655 19288 7093 1 17 . 1 1 11 11 MET HA H 11 4.387 4.387 4.677 -0.290 19288 7094 1 17 . 1 1 11 11 MET CA C 11 55.835 55.835 55.411 0.424 19288 7095 1 17 . 1 1 11 11 MET CB C 11 32.794 32.794 33.967 -1.173 19288 7096 1 17 . 1 1 11 11 MET H H 11 8.178 8.178 8.039 0.139 19288 7097 1 17 . 1 1 12 12 ARG N N 12 121.614 121.614 117.953 3.661 19288 7098 1 17 . 1 1 12 12 ARG HA H 12 4.244 4.244 4.524 -0.280 19288 7099 1 17 . 1 1 12 12 ARG CA C 12 55.802 55.802 55.877 -0.075 19288 7100 1 17 . 1 1 12 12 ARG CB C 12 31.110 31.110 31.476 -0.366 19288 7101 1 17 . 1 1 12 12 ARG H H 12 8.209 8.209 8.414 -0.205 19288 7102 1 17 . 1 1 13 13 ASP N N 13 119.634 119.634 119.307 0.327 19288 7103 1 17 . 1 1 13 13 ASP HA H 13 4.667 4.667 4.738 -0.071 19288 7104 1 17 . 1 1 13 13 ASP C C 13 175.723 175.723 174.167 1.556 19288 7105 1 17 . 1 1 13 13 ASP CA C 13 54.112 54.112 53.801 0.311 19288 7106 1 17 . 1 1 13 13 ASP CB C 13 42.459 42.459 42.578 -0.119 19288 7107 1 17 . 1 1 13 13 ASP H H 13 7.858 7.858 7.653 0.205 19288 7108 1 17 . 1 1 14 14 TYR N N 14 120.932 120.932 120.132 0.800 19288 7109 1 17 . 1 1 14 14 TYR HA H 14 4.534 4.534 4.895 -0.361 19288 7110 1 17 . 1 1 14 14 TYR C C 14 174.767 174.767 176.142 -1.375 19288 7111 1 17 . 1 1 14 14 TYR CA C 14 57.521 57.521 57.157 0.364 19288 7112 1 17 . 1 1 14 14 TYR CB C 14 38.608 38.608 42.213 -3.605 19288 7113 1 17 . 1 1 14 14 TYR H H 14 8.676 8.676 8.789 -0.113 19288 7114 1 17 . 1 1 15 15 ILE N N 15 124.585 124.585 119.922 4.663 19288 7115 1 17 . 1 1 15 15 ILE HA H 15 4.714 4.714 4.683 0.031 19288 7116 1 17 . 1 1 15 15 ILE C C 15 175.178 175.178 175.183 -0.005 19288 7117 1 17 . 1 1 15 15 ILE CA C 15 59.647 59.647 60.751 -1.103 19288 7118 1 17 . 1 1 15 15 ILE CB C 15 39.969 39.969 39.376 0.593 19288 7119 1 17 . 1 1 15 15 ILE H H 15 8.479 8.479 8.487 -0.008 19288 7120 1 17 . 1 1 16 16 CYS N N 16 129.411 129.411 117.581 11.830 19288 7121 1 17 . 1 1 16 16 CYS HA H 16 4.334 4.334 4.725 -0.391 19288 7122 1 17 . 1 1 16 16 CYS C C 16 174.675 174.675 175.766 -1.091 19288 7123 1 17 . 1 1 16 16 CYS CA C 16 61.303 61.303 56.562 4.741 19288 7124 1 17 . 1 1 16 16 CYS CB C 16 30.233 30.233 29.146 1.087 19288 7125 1 17 . 1 1 16 16 CYS H H 16 9.141 9.141 7.858 1.283 19288 7126 1 17 . 1 1 17 17 GLU N N 17 133.830 133.830 127.826 6.004 19288 7127 1 17 . 1 1 17 17 GLU HA H 17 4.200 4.200 3.298 0.902 19288 7128 1 17 . 1 1 17 17 GLU C C 17 175.826 175.826 177.830 -2.004 19288 7129 1 17 . 1 1 17 17 GLU CA C 17 58.616 58.616 58.990 -0.374 19288 7130 1 17 . 1 1 17 17 GLU CB C 17 28.133 28.133 29.286 -1.153 19288 7131 1 17 . 1 1 17 17 GLU H H 17 10.744 10.744 8.985 1.759 19288 7132 1 17 . 1 1 18 18 TYR N N 18 121.850 121.850 122.733 -0.883 19288 7133 1 17 . 1 1 18 18 TYR HA H 18 4.316 4.316 4.335 -0.019 19288 7134 1 17 . 1 1 18 18 TYR C C 18 176.782 176.782 178.063 -1.281 19288 7135 1 17 . 1 1 18 18 TYR CA C 18 60.371 60.371 61.585 -1.214 19288 7136 1 17 . 1 1 18 18 TYR CB C 18 37.374 37.374 38.381 -1.007 19288 7137 1 17 . 1 1 18 18 TYR H H 18 9.190 9.190 7.940 1.250 19288 7138 1 17 . 1 1 19 19 CYS N N 19 116.138 116.138 118.760 -2.622 19288 7139 1 17 . 1 1 19 19 CYS HA H 19 5.111 5.111 4.240 0.871 19288 7140 1 17 . 1 1 19 19 CYS C C 19 176.019 176.019 177.082 -1.063 19288 7141 1 17 . 1 1 19 19 CYS CA C 19 58.721 58.721 61.925 -3.204 19288 7142 1 17 . 1 1 19 19 CYS CB C 19 32.573 32.573 28.084 4.489 19288 7143 1 17 . 1 1 19 19 CYS H H 19 7.999 7.999 7.848 0.151 19288 7144 1 17 . 1 1 20 20 ALA N N 20 122.058 122.058 122.220 -0.162 19288 7145 1 17 . 1 1 20 20 ALA HA H 20 4.140 4.140 3.591 0.549 19288 7146 1 17 . 1 1 20 20 ALA C C 20 177.014 177.014 178.180 -1.166 19288 7147 1 17 . 1 1 20 20 ALA CA C 20 54.584 54.584 54.541 0.043 19288 7148 1 17 . 1 1 20 20 ALA CB C 20 17.127 17.127 18.497 -1.371 19288 7149 1 17 . 1 1 20 20 ALA H H 20 8.067 8.067 7.337 0.730 19288 7150 1 17 . 1 1 21 21 ARG N N 21 121.286 121.286 119.737 1.549 19288 7151 1 17 . 1 1 21 21 ARG HA H 21 4.003 4.003 3.997 0.006 19288 7152 1 17 . 1 1 21 21 ARG C C 21 175.133 175.133 178.348 -3.215 19288 7153 1 17 . 1 1 21 21 ARG CA C 21 58.236 58.236 59.232 -0.996 19288 7154 1 17 . 1 1 21 21 ARG CB C 21 31.677 31.677 29.343 2.334 19288 7155 1 17 . 1 1 21 21 ARG H H 21 7.947 7.947 7.708 0.239 19288 7156 1 17 . 1 1 22 22 ALA N N 22 123.966 123.966 120.359 3.607 19288 7157 1 17 . 1 1 22 22 ALA HA H 22 5.008 5.008 3.793 1.215 19288 7158 1 17 . 1 1 22 22 ALA C C 22 175.750 175.750 179.113 -3.363 19288 7159 1 17 . 1 1 22 22 ALA CA C 22 50.811 50.811 56.443 -5.632 19288 7160 1 17 . 1 1 22 22 ALA CB C 22 21.928 21.928 18.540 3.388 19288 7161 1 17 . 1 1 22 22 ALA H H 22 7.968 7.968 7.670 0.298 19288 7162 1 17 . 1 1 23 23 PHE N N 23 118.728 118.728 120.315 -1.587 19288 7163 1 17 . 1 1 23 23 PHE HA H 23 4.678 4.678 4.200 0.478 19288 7164 1 17 . 1 1 23 23 PHE C C 23 173.852 173.852 178.101 -4.249 19288 7165 1 17 . 1 1 23 23 PHE CA C 23 57.367 57.367 61.597 -4.230 19288 7166 1 17 . 1 1 23 23 PHE CB C 23 43.458 43.458 39.285 4.173 19288 7167 1 17 . 1 1 23 23 PHE H H 23 9.004 9.004 7.775 1.229 19288 7168 1 17 . 1 1 24 24 LYS N N 24 119.176 119.176 117.233 1.943 19288 7169 1 17 . 1 1 24 24 LYS HA H 24 4.709 4.709 3.935 0.774 19288 7170 1 17 . 1 1 24 24 LYS C C 24 176.934 176.934 178.372 -1.438 19288 7171 1 17 . 1 1 24 24 LYS CA C 24 56.482 56.482 58.189 -1.707 19288 7172 1 17 . 1 1 24 24 LYS CB C 24 33.111 33.111 31.998 1.113 19288 7173 1 17 . 1 1 24 24 LYS H H 24 9.211 9.211 8.235 0.976 19288 7174 1 17 . 1 1 25 25 SER N N 25 110.950 110.950 115.511 -4.561 19288 7175 1 17 . 1 1 25 25 SER HA H 25 4.566 4.566 4.222 0.344 19288 7176 1 17 . 1 1 25 25 SER C C 25 175.671 175.671 174.962 0.709 19288 7177 1 17 . 1 1 25 25 SER CA C 25 55.683 55.683 60.680 -4.997 19288 7178 1 17 . 1 1 25 25 SER CB C 25 66.490 66.490 63.429 3.061 19288 7179 1 17 . 1 1 25 25 SER H H 25 7.474 7.474 7.240 0.234 19288 7180 1 17 . 1 1 26 26 SER N N 26 119.411 119.411 112.305 7.106 19288 7181 1 17 . 1 1 26 26 SER C C 26 176.269 176.269 176.514 -0.245 19288 7182 1 17 . 1 1 26 26 SER CA C 26 60.616 60.616 60.606 0.010 19288 7183 1 17 . 1 1 26 26 SER CB C 26 61.758 61.758 61.497 0.261 19288 7184 1 17 . 1 1 26 26 SER H H 26 8.487 8.487 7.300 1.187 19288 7185 1 17 . 1 1 27 27 HIS HA H 27 4.258 4.258 4.519 -0.261 19288 7186 1 17 . 1 1 27 27 HIS C C 27 173.658 173.658 176.012 -2.354 19288 7187 1 17 . 1 1 27 27 HIS CA C 27 59.581 59.581 57.020 2.561 19288 7188 1 17 . 1 1 27 27 HIS CB C 27 29.913 29.913 29.861 0.052 19288 7189 1 17 . 1 1 28 28 ASN N N 28 117.126 117.126 113.943 3.183 19288 7190 1 17 . 1 1 28 28 ASN HA H 28 4.216 4.216 4.664 -0.448 19288 7191 1 17 . 1 1 28 28 ASN CA C 28 55.547 55.547 53.156 2.391 19288 7192 1 17 . 1 1 28 28 ASN CB C 28 37.634 37.634 37.425 0.208 19288 7193 1 17 . 1 1 28 28 ASN H H 28 7.681 7.681 7.342 0.339 19288 7194 1 17 . 1 1 29 29 LEU N N 29 121.121 121.121 122.589 -1.468 19288 7195 1 17 . 1 1 29 29 LEU HA H 29 3.177 3.177 4.155 -0.978 19288 7196 1 17 . 1 1 29 29 LEU C C 29 176.205 176.205 176.332 -0.127 19288 7197 1 17 . 1 1 29 29 LEU CA C 29 57.893 57.893 54.745 3.148 19288 7198 1 17 . 1 1 29 29 LEU H H 29 7.300 7.300 7.592 -0.292 19288 7199 1 17 . 1 1 30 30 ALA N N 30 122.058 122.058 121.629 0.429 19288 7200 1 17 . 1 1 30 30 ALA HA H 30 3.917 3.917 4.362 -0.445 19288 7201 1 17 . 1 1 30 30 ALA C C 30 178.363 178.363 177.172 1.191 19288 7202 1 17 . 1 1 30 30 ALA CA C 30 55.487 55.487 51.696 3.791 19288 7203 1 17 . 1 1 30 30 ALA CB C 30 17.947 17.947 19.268 -1.321 19288 7204 1 17 . 1 1 30 30 ALA H H 30 7.987 7.987 7.842 0.145 19288 7205 1 17 . 1 1 31 31 VAL N N 31 116.442 116.442 119.501 -3.059 19288 7206 1 17 . 1 1 31 31 VAL HA H 31 3.556 3.556 4.153 -0.597 19288 7207 1 17 . 1 1 31 31 VAL C C 31 176.352 176.352 175.489 0.863 19288 7208 1 17 . 1 1 31 31 VAL CA C 31 65.936 65.936 60.827 5.109 19288 7209 1 17 . 1 1 31 31 VAL CB C 31 32.281 32.281 31.027 1.254 19288 7210 1 17 . 1 1 31 31 VAL H H 31 7.636 7.636 7.552 0.084 19288 7211 1 17 . 1 1 32 32 HIS HA H 32 4.125 4.125 4.414 -0.289 19288 7212 1 17 . 1 1 32 32 HIS C C 32 180.696 180.696 174.830 5.866 19288 7213 1 17 . 1 1 32 32 HIS CA C 32 59.377 59.377 56.758 2.619 19288 7214 1 17 . 1 1 32 32 HIS CB C 32 28.332 28.332 29.993 -1.661 19288 7215 1 17 . 1 1 33 33 ARG N N 33 115.795 115.795 119.462 -3.667 19288 7216 1 17 . 1 1 33 33 ARG HA H 33 3.658 3.658 4.628 -0.970 19288 7217 1 17 . 1 1 33 33 ARG C C 33 178.735 178.735 174.344 4.391 19288 7218 1 17 . 1 1 33 33 ARG CA C 33 60.012 60.012 56.155 3.857 19288 7219 1 17 . 1 1 33 33 ARG CB C 33 31.144 31.144 31.285 -0.141 19288 7220 1 17 . 1 1 33 33 ARG H H 33 8.633 8.633 7.862 0.771 19288 7221 1 17 . 1 1 34 34 MET N N 34 115.672 115.672 123.136 -7.464 19288 7222 1 17 . 1 1 34 34 MET HA H 34 4.211 4.211 4.994 -0.783 19288 7223 1 17 . 1 1 34 34 MET C C 34 176.427 176.427 174.997 1.430 19288 7224 1 17 . 1 1 34 34 MET CA C 34 57.866 57.866 54.201 3.665 19288 7225 1 17 . 1 1 34 34 MET CB C 34 32.221 32.221 35.747 -3.526 19288 7226 1 17 . 1 1 34 34 MET H H 34 7.057 7.057 8.211 -1.154 19288 7227 1 17 . 1 1 35 35 ILE N N 35 116.381 116.381 129.235 -12.854 19288 7228 1 17 . 1 1 35 35 ILE HA H 35 3.904 3.904 4.193 -0.289 19288 7229 1 17 . 1 1 35 35 ILE C C 35 177.504 177.504 174.768 2.736 19288 7230 1 17 . 1 1 35 35 ILE CA C 35 63.402 63.402 61.562 1.840 19288 7231 1 17 . 1 1 35 35 ILE CB C 35 37.724 37.724 37.840 -0.116 19288 7232 1 17 . 1 1 35 35 ILE H H 35 7.811 7.811 8.892 -1.081 19288 7233 1 17 . 1 1 36 36 HIS N N 36 117.423 117.423 127.604 -10.181 19288 7234 1 17 . 1 1 36 36 HIS HA H 36 4.481 4.481 4.696 -0.215 19288 7235 1 17 . 1 1 36 36 HIS C C 36 178.413 178.413 173.286 5.127 19288 7236 1 17 . 1 1 36 36 HIS CA C 36 55.260 55.260 55.469 -0.209 19288 7237 1 17 . 1 1 36 36 HIS CB C 36 28.066 28.066 29.022 -0.956 19288 7238 1 17 . 1 1 36 36 HIS H H 36 7.247 7.247 8.369 -1.122 19288 7239 1 17 . 1 1 37 37 THR N N 37 110.804 110.804 115.721 -4.917 19288 7240 1 17 . 1 1 37 37 THR HA H 37 4.160 4.160 4.540 -0.380 19288 7241 1 17 . 1 1 37 37 THR C C 37 177.179 177.179 172.991 4.188 19288 7242 1 17 . 1 1 37 37 THR CA C 37 62.791 62.791 63.132 -0.341 19288 7243 1 17 . 1 1 37 37 THR CB C 37 69.712 69.712 72.632 -2.920 19288 7244 1 17 . 1 1 37 37 THR H H 37 7.553 7.553 7.705 -0.152 19288 7245 1 17 . 1 1 38 38 GLY N N 38 110.842 110.842 107.641 3.201 19288 7246 1 17 . 1 1 38 38 GLY C C 38 175.821 175.821 175.478 0.343 19288 7247 1 17 . 1 1 38 38 GLY CA C 38 45.403 45.403 42.295 3.108 19288 7248 1 17 . 1 1 38 38 GLY H H 38 8.195 8.195 7.513 0.682 19288 7249 1 17 . 1 1 39 39 GLU N N 39 120.441 120.441 125.461 -5.020 19288 7250 1 17 . 1 1 39 39 GLU HA H 39 4.238 4.238 4.377 -0.139 19288 7251 1 17 . 1 1 39 39 GLU C C 39 175.390 175.390 174.551 0.839 19288 7252 1 17 . 1 1 39 39 GLU CA C 39 56.572 56.572 57.708 -1.136 19288 7253 1 17 . 1 1 39 39 GLU H H 39 7.953 7.953 8.890 -0.937 19288 7254 1 17 . 1 1 40 40 LYS N N 40 123.624 123.624 126.456 -2.832 19288 7255 1 17 . 1 1 40 40 LYS HA H 40 4.534 4.534 4.543 -0.009 19288 7256 1 17 . 1 1 40 40 LYS C C 40 174.124 174.124 173.781 0.343 19288 7257 1 17 . 1 1 40 40 LYS CA C 40 54.236 54.236 54.761 -0.525 19288 7258 1 17 . 1 1 40 40 LYS CB C 40 32.769 32.769 36.149 -3.380 19288 7259 1 17 . 1 1 40 40 LYS H H 40 8.321 8.321 7.680 0.641 19288 7260 1 17 . 1 1 41 41 PRO HA H 41 4.404 4.404 4.840 -0.436 19288 7261 1 17 . 1 1 41 41 PRO C C 41 176.103 176.103 175.686 0.417 19288 7262 1 17 . 1 1 41 41 PRO CA C 41 63.174 63.174 61.059 2.115 19288 7263 1 17 . 1 1 41 41 PRO CB C 41 32.306 32.306 32.611 -0.305 19288 7264 1 17 . 1 1 42 42 LEU N N 42 122.177 122.177 127.473 -5.296 19288 7265 1 17 . 1 1 42 42 LEU HA H 42 4.381 4.381 4.343 0.038 19288 7266 1 17 . 1 1 42 42 LEU CA C 42 54.626 54.626 53.130 1.496 19288 7267 1 17 . 1 1 42 42 LEU CB C 42 42.719 42.719 44.007 -1.288 19288 7268 1 17 . 1 1 42 42 LEU H H 42 8.293 8.293 8.044 0.249 19288 7269 1 17 . 1 1 43 43 GLN N N 43 119.188 119.188 123.556 -4.368 19288 7270 1 17 . 1 1 43 43 GLN HA H 43 5.181 5.181 4.215 0.966 19288 7271 1 17 . 1 1 43 43 GLN C C 43 176.325 176.325 175.624 0.701 19288 7272 1 17 . 1 1 43 43 GLN CA C 43 53.898 53.898 56.812 -2.913 19288 7273 1 17 . 1 1 43 43 GLN CB C 43 32.969 32.969 28.530 4.439 19288 7274 1 17 . 1 1 43 43 GLN H H 43 8.180 8.180 8.632 -0.452 19288 7275 1 17 . 1 1 44 44 CYS N N 44 127.346 127.346 119.607 7.739 19288 7276 1 17 . 1 1 44 44 CYS HA H 44 4.453 4.453 4.595 -0.142 19288 7277 1 17 . 1 1 44 44 CYS C C 44 175.677 175.677 175.356 0.321 19288 7278 1 17 . 1 1 44 44 CYS CA C 44 59.437 59.437 58.539 0.898 19288 7279 1 17 . 1 1 44 44 CYS CB C 44 30.721 30.721 28.427 2.294 19288 7280 1 17 . 1 1 44 44 CYS H H 44 9.299 9.299 7.432 1.867 19288 7281 1 17 . 1 1 45 45 GLU N N 45 131.846 131.846 125.159 6.687 19288 7282 1 17 . 1 1 45 45 GLU HA H 45 4.178 4.178 3.931 0.247 19288 7283 1 17 . 1 1 45 45 GLU C C 45 174.655 174.655 178.703 -4.048 19288 7284 1 17 . 1 1 45 45 GLU CA C 45 58.342 58.342 60.050 -1.708 19288 7285 1 17 . 1 1 45 45 GLU CB C 45 29.819 29.819 29.338 0.481 19288 7286 1 17 . 1 1 45 45 GLU H H 45 9.602 9.602 9.153 0.449 19288 7287 1 17 . 1 1 46 46 ILE N N 46 121.898 121.898 118.190 3.708 19288 7288 1 17 . 1 1 46 46 ILE HA H 46 3.840 3.840 4.111 -0.271 19288 7289 1 17 . 1 1 46 46 ILE C C 46 177.404 177.404 178.351 -0.947 19288 7290 1 17 . 1 1 46 46 ILE CA C 46 63.494 63.494 64.284 -0.790 19288 7291 1 17 . 1 1 46 46 ILE CB C 46 38.461 38.461 37.000 1.461 19288 7292 1 17 . 1 1 46 46 ILE H H 46 8.973 8.973 8.640 0.333 19288 7293 1 17 . 1 1 47 47 CYS N N 47 117.274 117.274 118.364 -1.090 19288 7294 1 17 . 1 1 47 47 CYS HA H 47 5.231 5.231 4.398 0.833 19288 7295 1 17 . 1 1 47 47 CYS C C 47 176.087 176.087 177.001 -0.914 19288 7296 1 17 . 1 1 47 47 CYS CA C 47 58.455 58.455 62.121 -3.666 19288 7297 1 17 . 1 1 47 47 CYS CB C 47 33.590 33.590 27.994 5.596 19288 7298 1 17 . 1 1 47 47 CYS H H 47 8.432 8.432 7.576 0.856 19288 7299 1 17 . 1 1 48 48 GLY N N 48 112.655 112.655 111.327 1.328 19288 7300 1 17 . 1 1 48 48 GLY C C 48 177.177 177.177 177.090 0.087 19288 7301 1 17 . 1 1 48 48 GLY CA C 48 46.253 46.253 48.270 -2.017 19288 7302 1 17 . 1 1 48 48 GLY H H 48 8.016 8.016 7.635 0.381 19288 7303 1 17 . 1 1 49 49 PHE N N 49 125.000 125.000 119.846 5.154 19288 7304 1 17 . 1 1 49 49 PHE HA H 49 4.272 4.272 4.132 0.140 19288 7305 1 17 . 1 1 49 49 PHE C C 49 176.313 176.313 177.439 -1.126 19288 7306 1 17 . 1 1 49 49 PHE CA C 49 59.750 59.750 61.609 -1.859 19288 7307 1 17 . 1 1 49 49 PHE CB C 49 41.278 41.278 38.758 2.520 19288 7308 1 17 . 1 1 49 49 PHE H H 49 8.333 8.333 8.608 -0.275 19288 7309 1 17 . 1 1 50 50 THR N N 50 118.297 118.297 112.351 5.946 19288 7310 1 17 . 1 1 50 50 THR HA H 50 5.150 5.150 4.224 0.926 19288 7311 1 17 . 1 1 50 50 THR C C 50 173.480 173.480 177.061 -3.581 19288 7312 1 17 . 1 1 50 50 THR CA C 50 59.186 59.186 65.484 -6.298 19288 7313 1 17 . 1 1 50 50 THR CB C 50 71.954 71.954 68.764 3.190 19288 7314 1 17 . 1 1 50 50 THR H H 50 7.336 7.336 7.753 -0.417 19288 7315 1 17 . 1 1 51 51 CYS N N 51 115.101 115.101 120.109 -5.008 19288 7316 1 17 . 1 1 51 51 CYS HA H 51 4.540 4.540 3.827 0.713 19288 7317 1 17 . 1 1 51 51 CYS C C 51 173.381 173.381 177.258 -3.877 19288 7318 1 17 . 1 1 51 51 CYS CA C 51 56.305 56.305 63.293 -6.988 19288 7319 1 17 . 1 1 51 51 CYS CB C 51 30.578 30.578 27.846 2.732 19288 7320 1 17 . 1 1 51 51 CYS H H 51 8.318 8.318 8.240 0.078 19288 7321 1 17 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.127 0.439 19288 7322 1 17 . 1 1 52 52 ARG C C 52 172.494 172.494 178.418 -5.924 19288 7323 1 17 . 1 1 52 52 ARG CA C 52 56.923 56.923 59.939 -3.016 19288 7324 1 17 . 1 1 52 52 ARG CB C 52 31.891 31.891 30.637 1.254 19288 7325 1 17 . 1 1 53 53 GLN N N 53 115.534 115.534 118.731 -3.197 19288 7326 1 17 . 1 1 53 53 GLN HA H 53 4.719 4.719 3.996 0.723 19288 7327 1 17 . 1 1 53 53 GLN CA C 53 54.637 54.637 58.987 -4.350 19288 7328 1 17 . 1 1 53 53 GLN CB C 53 30.904 30.904 28.136 2.768 19288 7329 1 17 . 1 1 53 53 GLN H H 53 7.649 7.649 7.705 -0.056 19288 7330 1 17 . 1 1 54 54 LYS N N 54 127.065 127.065 117.706 9.359 19288 7331 1 17 . 1 1 54 54 LYS HA H 54 3.771 3.771 4.022 -0.251 19288 7332 1 17 . 1 1 54 54 LYS C C 54 176.035 176.035 178.287 -2.252 19288 7333 1 17 . 1 1 54 54 LYS CA C 54 59.833 59.833 58.832 1.001 19288 7334 1 17 . 1 1 54 54 LYS CB C 54 32.087 32.087 32.064 0.023 19288 7335 1 17 . 1 1 54 54 LYS H H 54 9.132 9.132 7.534 1.598 19288 7336 1 17 . 1 1 55 55 ALA N N 55 120.230 120.230 119.668 0.562 19288 7337 1 17 . 1 1 55 55 ALA HA H 55 4.135 4.135 4.208 -0.073 19288 7338 1 17 . 1 1 55 55 ALA C C 55 176.728 176.728 179.492 -2.764 19288 7339 1 17 . 1 1 55 55 ALA CA C 55 55.456 55.456 54.775 0.681 19288 7340 1 17 . 1 1 55 55 ALA CB C 55 18.224 18.224 18.943 -0.719 19288 7341 1 17 . 1 1 55 55 ALA H H 55 9.016 9.016 7.007 2.009 19288 7342 1 17 . 1 1 56 56 SER N N 56 112.225 112.225 115.180 -2.955 19288 7343 1 17 . 1 1 56 56 SER HA H 56 4.509 4.509 4.744 -0.235 19288 7344 1 17 . 1 1 56 56 SER C C 56 178.309 178.309 175.939 2.370 19288 7345 1 17 . 1 1 56 56 SER CA C 56 61.172 61.172 59.751 1.421 19288 7346 1 17 . 1 1 56 56 SER CB C 56 62.925 62.925 62.764 0.161 19288 7347 1 17 . 1 1 56 56 SER H H 56 7.097 7.097 8.164 -1.067 19288 7348 1 17 . 1 1 57 57 LEU N N 57 126.317 126.317 120.371 5.946 19288 7349 1 17 . 1 1 57 57 LEU HA H 57 4.327 4.327 4.164 0.163 19288 7350 1 17 . 1 1 57 57 LEU C C 57 180.642 180.642 177.278 3.364 19288 7351 1 17 . 1 1 57 57 LEU CA C 57 58.038 58.038 56.064 1.974 19288 7352 1 17 . 1 1 57 57 LEU CB C 57 41.443 41.443 42.322 -0.879 19288 7353 1 17 . 1 1 57 57 LEU H H 57 7.667 7.667 7.868 -0.201 19288 7354 1 17 . 1 1 58 58 ASN N N 58 118.325 118.325 111.527 6.798 19288 7355 1 17 . 1 1 58 58 ASN HA H 58 4.364 4.364 4.591 -0.227 19288 7356 1 17 . 1 1 58 58 ASN C C 58 176.770 176.770 175.380 1.390 19288 7357 1 17 . 1 1 58 58 ASN CA C 58 56.457 56.457 54.223 2.234 19288 7358 1 17 . 1 1 58 58 ASN CB C 58 37.852 37.852 37.140 0.712 19288 7359 1 17 . 1 1 58 58 ASN H H 58 8.533 8.533 8.369 0.164 19288 7360 1 17 . 1 1 59 59 TRP N N 59 119.802 119.802 119.287 0.515 19288 7361 1 17 . 1 1 59 59 TRP HA H 59 4.349 4.349 4.515 -0.166 19288 7362 1 17 . 1 1 59 59 TRP C C 59 178.160 178.160 176.668 1.492 19288 7363 1 17 . 1 1 59 59 TRP CA C 59 60.432 60.432 58.863 1.569 19288 7364 1 17 . 1 1 59 59 TRP CB C 59 29.304 29.304 29.509 -0.205 19288 7365 1 17 . 1 1 59 59 TRP H H 59 7.914 7.914 8.357 -0.443 19288 7366 1 17 . 1 1 60 60 HIS N N 60 119.175 119.175 116.480 2.695 19288 7367 1 17 . 1 1 60 60 HIS HA H 60 3.675 3.675 4.628 -0.953 19288 7368 1 17 . 1 1 60 60 HIS C C 60 174.721 174.721 174.612 0.109 19288 7369 1 17 . 1 1 60 60 HIS CA C 60 60.038 60.038 55.728 4.310 19288 7370 1 17 . 1 1 60 60 HIS CB C 60 28.143 28.143 31.515 -3.372 19288 7371 1 17 . 1 1 60 60 HIS H H 60 8.131 8.131 7.562 0.569 19288 7372 1 17 . 1 1 61 61 MET N N 61 114.602 114.602 120.177 -5.575 19288 7373 1 17 . 1 1 61 61 MET HA H 61 4.127 4.127 4.459 -0.332 19288 7374 1 17 . 1 1 61 61 MET C C 61 178.337 178.337 175.736 2.601 19288 7375 1 17 . 1 1 61 61 MET CA C 61 57.177 57.177 55.297 1.880 19288 7376 1 17 . 1 1 61 61 MET CB C 61 30.085 30.085 30.583 -0.498 19288 7377 1 17 . 1 1 61 61 MET H H 61 8.448 8.448 8.390 0.058 19288 7378 1 17 . 1 1 62 62 LYS N N 62 118.858 118.858 122.855 -3.997 19288 7379 1 17 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.054 -0.056 19288 7380 1 17 . 1 1 62 62 LYS C C 62 176.716 176.716 176.603 0.113 19288 7381 1 17 . 1 1 62 62 LYS CA C 62 58.512 58.512 57.024 1.488 19288 7382 1 17 . 1 1 62 62 LYS CB C 62 31.694 31.694 33.619 -1.925 19288 7383 1 17 . 1 1 62 62 LYS H H 62 7.285 7.285 7.998 -0.713 19288 7384 1 17 . 1 1 63 63 LYS N N 63 117.683 117.683 118.854 -1.171 19288 7385 1 17 . 1 1 63 63 LYS HA H 63 3.793 3.793 4.598 -0.805 19288 7386 1 17 . 1 1 63 63 LYS C C 63 179.150 179.150 175.256 3.894 19288 7387 1 17 . 1 1 63 63 LYS CA C 63 57.827 57.827 55.024 2.803 19288 7388 1 17 . 1 1 63 63 LYS CB C 63 31.272 31.272 35.183 -3.911 19288 7389 1 17 . 1 1 63 63 LYS H H 63 7.516 7.516 8.150 -0.634 19288 7390 1 17 . 1 1 64 64 HIS N N 64 115.200 115.200 119.788 -4.588 19288 7391 1 17 . 1 1 64 64 HIS HA H 64 4.708 4.708 4.722 -0.014 19288 7392 1 17 . 1 1 64 64 HIS C C 64 178.727 178.727 173.057 5.670 19288 7393 1 17 . 1 1 64 64 HIS CA C 64 55.628 55.628 55.070 0.558 19288 7394 1 17 . 1 1 64 64 HIS CB C 64 28.782 28.782 32.580 -3.798 19288 7395 1 17 . 1 1 64 64 HIS H H 64 7.155 7.155 8.631 -1.476 19288 7396 1 17 . 1 1 65 65 ASP N N 65 120.441 120.441 125.345 -4.904 19288 7397 1 17 . 1 1 65 65 ASP HA H 65 4.503 4.503 4.984 -0.481 19288 7398 1 17 . 1 1 65 65 ASP C C 65 177.648 177.648 176.217 1.431 19288 7399 1 17 . 1 1 65 65 ASP CA C 65 55.296 55.296 53.313 1.983 19288 7400 1 17 . 1 1 65 65 ASP CB C 65 41.122 41.122 42.023 -0.901 19288 7401 1 17 . 1 1 65 65 ASP H H 65 7.653 7.653 8.819 -1.166 19288 7402 1 17 . 1 1 66 66 ALA N N 66 123.184 123.184 130.333 -7.149 19288 7403 1 17 . 1 1 66 66 ALA HA H 66 4.141 4.141 4.129 0.012 19288 7404 1 17 . 1 1 66 66 ALA C C 66 175.172 175.172 179.040 -3.868 19288 7405 1 17 . 1 1 66 66 ALA CA C 66 53.693 53.693 54.541 -0.848 19288 7406 1 17 . 1 1 66 66 ALA CB C 66 19.049 19.049 18.950 0.099 19288 7407 1 17 . 1 1 66 66 ALA H H 66 8.088 8.088 8.655 -0.567 19288 7408 1 17 . 1 1 67 67 ASP N N 67 117.608 117.608 119.492 -1.884 19288 7409 1 17 . 1 1 67 67 ASP HA H 67 4.175 4.175 4.438 -0.263 19288 7410 1 17 . 1 1 67 67 ASP C C 67 176.687 176.687 176.586 0.101 19288 7411 1 17 . 1 1 67 67 ASP CA C 67 54.842 54.842 55.283 -0.441 19288 7412 1 17 . 1 1 67 67 ASP CB C 67 40.957 40.957 41.218 -0.261 19288 7413 1 17 . 1 1 67 67 ASP H H 67 7.999 7.999 8.195 -0.196 19288 7414 1 17 . 1 1 68 68 SER N N 68 114.794 114.794 113.815 0.979 19288 7415 1 17 . 1 1 68 68 SER HA H 68 4.145 4.145 4.876 -0.731 19288 7416 1 17 . 1 1 68 68 SER C C 68 178.056 178.056 174.600 3.456 19288 7417 1 17 . 1 1 68 68 SER CA C 68 59.397 59.397 56.328 3.069 19288 7418 1 17 . 1 1 68 68 SER CB C 68 63.682 63.682 64.875 -1.193 19288 7419 1 17 . 1 1 68 68 SER H H 68 7.797 7.797 7.831 -0.034 19288 7420 1 17 . 1 1 69 69 PHE N N 69 120.277 120.277 121.704 -1.427 19288 7421 1 17 . 1 1 69 69 PHE HA H 69 4.474 4.474 4.698 -0.224 19288 7422 1 17 . 1 1 69 69 PHE C C 69 176.959 176.959 175.182 1.777 19288 7423 1 17 . 1 1 69 69 PHE CA C 69 58.048 58.048 57.711 0.337 19288 7424 1 17 . 1 1 69 69 PHE H H 69 7.850 7.850 8.651 -0.801 19288 7425 1 17 . 1 1 70 70 TYR N N 70 121.023 121.023 123.829 -2.806 19288 7426 1 17 . 1 1 70 70 TYR HA H 70 4.494 4.494 3.735 0.759 19288 7427 1 17 . 1 1 70 70 TYR C C 70 174.330 174.330 175.196 -0.866 19288 7428 1 17 . 1 1 70 70 TYR CA C 70 56.491 56.491 59.059 -2.568 19288 7429 1 17 . 1 1 70 70 TYR CB C 70 37.727 37.727 37.960 -0.233 19288 7430 1 17 . 1 1 70 70 TYR H H 70 7.818 7.818 7.385 0.433 19288 7431 1 17 . 1 1 71 71 GLN N N 71 119.046 119.046 116.888 2.158 19288 7432 1 17 . 1 1 71 71 GLN HA H 71 4.085 4.085 4.101 -0.016 19288 7433 1 17 . 1 1 71 71 GLN C C 71 175.830 175.830 174.504 1.326 19288 7434 1 17 . 1 1 71 71 GLN CA C 71 56.485 56.485 56.460 0.025 19288 7435 1 17 . 1 1 71 71 GLN CB C 71 30.291 30.291 25.922 4.369 19288 7436 1 17 . 1 1 71 71 GLN H H 71 8.352 8.352 7.975 0.377 19288 7437 1 17 . 1 1 72 72 PHE N N 72 117.779 117.779 119.528 -1.749 19288 7438 1 17 . 1 1 72 72 PHE HA H 72 4.850 4.850 4.910 -0.060 19288 7439 1 17 . 1 1 72 72 PHE C C 72 176.323 176.323 176.079 0.244 19288 7440 1 17 . 1 1 72 72 PHE CA C 72 57.157 57.157 55.340 1.817 19288 7441 1 17 . 1 1 72 72 PHE CB C 72 41.106 41.106 42.936 -1.830 19288 7442 1 17 . 1 1 72 72 PHE H H 72 7.901 7.901 8.054 -0.153 19288 7443 1 17 . 1 1 73 73 SER N N 73 114.707 114.707 116.632 -1.925 19288 7444 1 17 . 1 1 73 73 SER HA H 73 5.469 5.469 4.742 0.727 19288 7445 1 17 . 1 1 73 73 SER C C 73 175.151 175.151 173.898 1.253 19288 7446 1 17 . 1 1 73 73 SER CA C 73 57.026 57.026 58.487 -1.461 19288 7447 1 17 . 1 1 73 73 SER CB C 73 65.963 65.963 64.673 1.290 19288 7448 1 17 . 1 1 73 73 SER H H 73 8.744 8.744 9.087 -0.343 19288 7449 1 17 . 1 1 74 74 CYS N N 74 124.143 124.143 117.073 7.070 19288 7450 1 17 . 1 1 74 74 CYS HA H 74 4.391 4.391 4.907 -0.516 19288 7451 1 17 . 1 1 74 74 CYS C C 74 174.848 174.848 174.229 0.619 19288 7452 1 17 . 1 1 74 74 CYS CA C 74 59.743 59.743 57.613 2.130 19288 7453 1 17 . 1 1 74 74 CYS CB C 74 30.581 30.581 29.729 0.852 19288 7454 1 17 . 1 1 74 74 CYS H H 74 9.154 9.154 7.822 1.332 19288 7455 1 17 . 1 1 75 75 ASN HA H 75 4.501 4.501 3.998 0.503 19288 7456 1 17 . 1 1 75 75 ASN C C 75 173.664 173.664 177.081 -3.417 19288 7457 1 17 . 1 1 75 75 ASN CA C 75 55.316 55.316 56.288 -0.972 19288 7458 1 17 . 1 1 75 75 ASN CB C 75 36.774 36.774 38.018 -1.244 19288 7459 1 17 . 1 1 76 76 ILE N N 76 123.143 123.143 118.080 5.063 19288 7460 1 17 . 1 1 76 76 ILE HA H 76 3.908 3.908 3.844 0.064 19288 7461 1 17 . 1 1 76 76 ILE CA C 76 63.223 63.223 64.382 -1.159 19288 7462 1 17 . 1 1 76 76 ILE CB C 76 38.269 38.269 37.000 1.269 19288 7463 1 17 . 1 1 76 76 ILE H H 76 8.921 8.921 8.425 0.496 19288 7464 1 17 . 1 1 77 77 CYS N N 77 116.298 116.298 119.311 -3.013 19288 7465 1 17 . 1 1 77 77 CYS HA H 77 5.159 5.159 3.854 1.305 19288 7466 1 17 . 1 1 77 77 CYS C C 77 174.401 174.401 176.557 -2.156 19288 7467 1 17 . 1 1 77 77 CYS CA C 77 58.394 58.394 61.929 -3.535 19288 7468 1 17 . 1 1 77 77 CYS CB C 77 32.743 32.743 26.793 5.950 19288 7469 1 17 . 1 1 77 77 CYS H H 77 8.243 8.243 7.645 0.598 19288 7470 1 17 . 1 1 78 78 GLY N N 78 113.607 113.607 110.750 2.857 19288 7471 1 17 . 1 1 78 78 GLY C C 78 176.862 176.862 176.399 0.463 19288 7472 1 17 . 1 1 78 78 GLY CA C 78 46.321 46.321 48.867 -2.546 19288 7473 1 17 . 1 1 78 78 GLY H H 78 8.060 8.060 7.302 0.758 19288 7474 1 17 . 1 1 79 79 LYS N N 79 123.134 123.134 121.224 1.910 19288 7475 1 17 . 1 1 79 79 LYS HA H 79 3.950 3.950 3.758 0.192 19288 7476 1 17 . 1 1 79 79 LYS C C 79 176.484 176.484 178.179 -1.695 19288 7477 1 17 . 1 1 79 79 LYS CA C 79 58.342 58.342 60.929 -2.587 19288 7478 1 17 . 1 1 79 79 LYS CB C 79 33.770 33.770 31.556 2.214 19288 7479 1 17 . 1 1 79 79 LYS H H 79 7.977 7.977 7.954 0.023 19288 7480 1 17 . 1 1 80 80 LYS N N 80 121.440 121.440 119.204 2.236 19288 7481 1 17 . 1 1 80 80 LYS HA H 80 4.884 4.884 3.995 0.889 19288 7482 1 17 . 1 1 80 80 LYS C C 80 173.961 173.961 178.458 -4.497 19288 7483 1 17 . 1 1 80 80 LYS CA C 80 55.524 55.524 59.477 -3.953 19288 7484 1 17 . 1 1 80 80 LYS CB C 80 35.024 35.024 31.612 3.412 19288 7485 1 17 . 1 1 80 80 LYS H H 80 7.918 7.918 7.954 -0.036 19288 7486 1 17 . 1 1 81 81 PHE N N 81 116.724 116.724 119.751 -3.027 19288 7487 1 17 . 1 1 81 81 PHE HA H 81 4.598 4.598 4.338 0.260 19288 7488 1 17 . 1 1 81 81 PHE C C 81 174.541 174.541 177.954 -3.413 19288 7489 1 17 . 1 1 81 81 PHE CA C 81 57.359 57.359 61.870 -4.511 19288 7490 1 17 . 1 1 81 81 PHE CB C 81 44.738 44.738 39.397 5.341 19288 7491 1 17 . 1 1 81 81 PHE H H 81 8.725 8.725 8.149 0.576 19288 7492 1 17 . 1 1 82 82 GLU N N 82 120.474 120.474 119.632 0.842 19288 7493 1 17 . 1 1 82 82 GLU HA H 82 4.155 4.155 4.286 -0.131 19288 7494 1 17 . 1 1 82 82 GLU C C 82 175.832 175.832 178.590 -2.758 19288 7495 1 17 . 1 1 82 82 GLU CA C 82 57.900 57.900 58.945 -1.045 19288 7496 1 17 . 1 1 82 82 GLU CB C 82 30.829 30.829 29.658 1.171 19288 7497 1 17 . 1 1 82 82 GLU H H 82 8.775 8.775 8.443 0.332 19288 7498 1 17 . 1 1 83 83 LYS N N 83 114.607 114.607 117.864 -3.257 19288 7499 1 17 . 1 1 83 83 LYS HA H 83 4.607 4.607 4.247 0.360 19288 7500 1 17 . 1 1 83 83 LYS C C 83 174.585 174.585 177.167 -2.582 19288 7501 1 17 . 1 1 83 83 LYS CA C 83 54.369 54.369 58.847 -4.478 19288 7502 1 17 . 1 1 83 83 LYS CB C 83 35.540 35.540 32.452 3.088 19288 7503 1 17 . 1 1 83 83 LYS H H 83 7.547 7.547 7.829 -0.282 19288 7504 1 17 . 1 1 84 84 LYS N N 84 124.921 124.921 115.973 8.948 19288 7505 1 17 . 1 1 84 84 LYS HA H 84 3.073 3.073 4.390 -1.317 19288 7506 1 17 . 1 1 84 84 LYS C C 84 176.545 176.545 178.017 -1.472 19288 7507 1 17 . 1 1 84 84 LYS CA C 84 59.680 59.680 57.888 1.792 19288 7508 1 17 . 1 1 84 84 LYS CB C 84 31.920 31.920 33.229 -1.309 19288 7509 1 17 . 1 1 84 84 LYS H H 84 8.162 8.162 7.492 0.670 19288 7510 1 17 . 1 1 85 85 ASP N N 85 116.468 116.468 117.849 -1.381 19288 7511 1 17 . 1 1 85 85 ASP HA H 85 4.192 4.192 4.539 -0.347 19288 7512 1 17 . 1 1 85 85 ASP C C 85 176.385 176.385 174.948 1.437 19288 7513 1 17 . 1 1 85 85 ASP CA C 85 56.789 56.789 54.675 2.114 19288 7514 1 17 . 1 1 85 85 ASP CB C 85 39.780 39.780 41.384 -1.604 19288 7515 1 17 . 1 1 85 85 ASP H H 85 8.682 8.682 8.246 0.436 19288 7516 1 17 . 1 1 86 86 SER N N 86 114.601 114.601 117.101 -2.500 19288 7517 1 17 . 1 1 86 86 SER HA H 86 4.183 4.183 4.815 -0.632 19288 7518 1 17 . 1 1 86 86 SER C C 86 179.169 179.169 172.038 7.131 19288 7519 1 17 . 1 1 86 86 SER CA C 86 60.939 60.939 55.285 5.654 19288 7520 1 17 . 1 1 86 86 SER CB C 86 62.823 62.823 64.973 -2.150 19288 7521 1 17 . 1 1 86 86 SER H H 86 7.200 7.200 7.581 -0.381 19288 7522 1 17 . 1 1 87 87 VAL HA H 87 2.698 2.698 4.051 -1.353 19288 7523 1 17 . 1 1 87 87 VAL C C 87 178.806 178.806 175.028 3.778 19288 7524 1 17 . 1 1 87 87 VAL CA C 87 66.028 66.028 62.800 3.228 19288 7525 1 17 . 1 1 87 87 VAL CB C 87 31.461 31.461 31.107 0.354 19288 7526 1 17 . 1 1 88 88 VAL N N 88 120.424 120.424 121.954 -1.530 19288 7527 1 17 . 1 1 88 88 VAL HA H 88 3.485 3.485 4.249 -0.764 19288 7528 1 17 . 1 1 88 88 VAL C C 88 176.208 176.208 175.743 0.465 19288 7529 1 17 . 1 1 88 88 VAL CA C 88 66.735 66.735 61.454 5.281 19288 7530 1 17 . 1 1 88 88 VAL CB C 88 31.948 31.948 34.783 -2.835 19288 7531 1 17 . 1 1 88 88 VAL H H 88 7.190 7.190 7.763 -0.573 19288 7532 1 18 . 1 1 10 10 HIS HA H 10 4.620 4.620 4.998 -0.378 19288 7533 1 18 . 1 1 10 10 HIS CA C 10 56.302 56.302 54.839 1.463 19288 7534 1 18 . 1 1 10 10 HIS CB C 10 30.312 30.312 32.292 -1.980 19288 7535 1 18 . 1 1 11 11 MET N N 11 121.464 121.464 125.739 -4.275 19288 7536 1 18 . 1 1 11 11 MET HA H 11 4.387 4.387 4.727 -0.340 19288 7537 1 18 . 1 1 11 11 MET CA C 11 55.835 55.835 55.686 0.149 19288 7538 1 18 . 1 1 11 11 MET CB C 11 32.794 32.794 34.114 -1.320 19288 7539 1 18 . 1 1 11 11 MET H H 11 8.178 8.178 8.504 -0.326 19288 7540 1 18 . 1 1 12 12 ARG N N 12 121.614 121.614 118.334 3.280 19288 7541 1 18 . 1 1 12 12 ARG HA H 12 4.244 4.244 4.383 -0.139 19288 7542 1 18 . 1 1 12 12 ARG CA C 12 55.802 55.802 56.436 -0.634 19288 7543 1 18 . 1 1 12 12 ARG CB C 12 31.110 31.110 30.870 0.240 19288 7544 1 18 . 1 1 12 12 ARG H H 12 8.209 8.209 8.475 -0.266 19288 7545 1 18 . 1 1 13 13 ASP N N 13 119.634 119.634 119.905 -0.271 19288 7546 1 18 . 1 1 13 13 ASP HA H 13 4.667 4.667 4.735 -0.068 19288 7547 1 18 . 1 1 13 13 ASP C C 13 175.723 175.723 174.090 1.633 19288 7548 1 18 . 1 1 13 13 ASP CA C 13 54.112 54.112 53.836 0.276 19288 7549 1 18 . 1 1 13 13 ASP CB C 13 42.459 42.459 42.314 0.145 19288 7550 1 18 . 1 1 13 13 ASP H H 13 7.858 7.858 7.716 0.142 19288 7551 1 18 . 1 1 14 14 TYR N N 14 120.932 120.932 120.821 0.111 19288 7552 1 18 . 1 1 14 14 TYR HA H 14 4.534 4.534 4.769 -0.235 19288 7553 1 18 . 1 1 14 14 TYR C C 14 174.767 174.767 176.394 -1.627 19288 7554 1 18 . 1 1 14 14 TYR CA C 14 57.521 57.521 57.574 -0.053 19288 7555 1 18 . 1 1 14 14 TYR CB C 14 38.608 38.608 41.753 -3.145 19288 7556 1 18 . 1 1 14 14 TYR H H 14 8.676 8.676 8.457 0.219 19288 7557 1 18 . 1 1 15 15 ILE N N 15 124.585 124.585 119.490 5.095 19288 7558 1 18 . 1 1 15 15 ILE HA H 15 4.714 4.714 4.657 0.057 19288 7559 1 18 . 1 1 15 15 ILE C C 15 175.178 175.178 174.744 0.434 19288 7560 1 18 . 1 1 15 15 ILE CA C 15 59.647 59.647 60.570 -0.923 19288 7561 1 18 . 1 1 15 15 ILE CB C 15 39.969 39.969 38.714 1.255 19288 7562 1 18 . 1 1 15 15 ILE H H 15 8.479 8.479 8.906 -0.427 19288 7563 1 18 . 1 1 16 16 CYS N N 16 129.411 129.411 119.388 10.023 19288 7564 1 18 . 1 1 16 16 CYS HA H 16 4.334 4.334 4.752 -0.418 19288 7565 1 18 . 1 1 16 16 CYS C C 16 174.675 174.675 175.045 -0.370 19288 7566 1 18 . 1 1 16 16 CYS CA C 16 61.303 61.303 58.496 2.807 19288 7567 1 18 . 1 1 16 16 CYS CB C 16 30.233 30.233 31.058 -0.825 19288 7568 1 18 . 1 1 16 16 CYS H H 16 9.141 9.141 7.901 1.240 19288 7569 1 18 . 1 1 17 17 GLU N N 17 133.830 133.830 124.597 9.233 19288 7570 1 18 . 1 1 17 17 GLU HA H 17 4.200 4.200 3.102 1.098 19288 7571 1 18 . 1 1 17 17 GLU C C 17 175.826 175.826 177.733 -1.907 19288 7572 1 18 . 1 1 17 17 GLU CA C 17 58.616 58.616 58.959 -0.343 19288 7573 1 18 . 1 1 17 17 GLU CB C 17 28.133 28.133 29.584 -1.451 19288 7574 1 18 . 1 1 17 17 GLU H H 17 10.744 10.744 8.789 1.955 19288 7575 1 18 . 1 1 18 18 TYR N N 18 121.850 121.850 122.588 -0.738 19288 7576 1 18 . 1 1 18 18 TYR HA H 18 4.316 4.316 4.289 0.027 19288 7577 1 18 . 1 1 18 18 TYR C C 18 176.782 176.782 177.738 -0.956 19288 7578 1 18 . 1 1 18 18 TYR CA C 18 60.371 60.371 61.491 -1.120 19288 7579 1 18 . 1 1 18 18 TYR CB C 18 37.374 37.374 37.963 -0.589 19288 7580 1 18 . 1 1 18 18 TYR H H 18 9.190 9.190 8.319 0.871 19288 7581 1 18 . 1 1 19 19 CYS N N 19 116.138 116.138 118.548 -2.410 19288 7582 1 18 . 1 1 19 19 CYS HA H 19 5.111 5.111 4.239 0.872 19288 7583 1 18 . 1 1 19 19 CYS C C 19 176.019 176.019 177.141 -1.122 19288 7584 1 18 . 1 1 19 19 CYS CA C 19 58.721 58.721 61.441 -2.720 19288 7585 1 18 . 1 1 19 19 CYS CB C 19 32.573 32.573 27.737 4.836 19288 7586 1 18 . 1 1 19 19 CYS H H 19 7.999 7.999 8.035 -0.036 19288 7587 1 18 . 1 1 20 20 ALA N N 20 122.058 122.058 122.300 -0.242 19288 7588 1 18 . 1 1 20 20 ALA HA H 20 4.140 4.140 3.429 0.711 19288 7589 1 18 . 1 1 20 20 ALA C C 20 177.014 177.014 178.154 -1.140 19288 7590 1 18 . 1 1 20 20 ALA CA C 20 54.584 54.584 55.008 -0.424 19288 7591 1 18 . 1 1 20 20 ALA CB C 20 17.127 17.127 18.455 -1.328 19288 7592 1 18 . 1 1 20 20 ALA H H 20 8.067 8.067 7.263 0.804 19288 7593 1 18 . 1 1 21 21 ARG N N 21 121.286 121.286 118.966 2.320 19288 7594 1 18 . 1 1 21 21 ARG HA H 21 4.003 4.003 4.000 0.003 19288 7595 1 18 . 1 1 21 21 ARG C C 21 175.133 175.133 178.402 -3.269 19288 7596 1 18 . 1 1 21 21 ARG CA C 21 58.236 58.236 59.150 -0.914 19288 7597 1 18 . 1 1 21 21 ARG CB C 21 31.677 31.677 29.424 2.253 19288 7598 1 18 . 1 1 21 21 ARG H H 21 7.947 7.947 7.737 0.210 19288 7599 1 18 . 1 1 22 22 ALA N N 22 123.966 123.966 120.491 3.475 19288 7600 1 18 . 1 1 22 22 ALA HA H 22 5.008 5.008 3.847 1.161 19288 7601 1 18 . 1 1 22 22 ALA C C 22 175.750 175.750 179.138 -3.388 19288 7602 1 18 . 1 1 22 22 ALA CA C 22 50.811 50.811 56.549 -5.738 19288 7603 1 18 . 1 1 22 22 ALA CB C 22 21.928 21.928 18.701 3.227 19288 7604 1 18 . 1 1 22 22 ALA H H 22 7.968 7.968 8.026 -0.058 19288 7605 1 18 . 1 1 23 23 PHE N N 23 118.728 118.728 120.704 -1.976 19288 7606 1 18 . 1 1 23 23 PHE HA H 23 4.678 4.678 4.197 0.481 19288 7607 1 18 . 1 1 23 23 PHE C C 23 173.852 173.852 177.763 -3.911 19288 7608 1 18 . 1 1 23 23 PHE CA C 23 57.367 57.367 61.974 -4.607 19288 7609 1 18 . 1 1 23 23 PHE CB C 23 43.458 43.458 39.322 4.136 19288 7610 1 18 . 1 1 23 23 PHE H H 23 9.004 9.004 7.854 1.150 19288 7611 1 18 . 1 1 24 24 LYS N N 24 119.176 119.176 115.730 3.446 19288 7612 1 18 . 1 1 24 24 LYS HA H 24 4.709 4.709 4.400 0.309 19288 7613 1 18 . 1 1 24 24 LYS C C 24 176.934 176.934 178.077 -1.143 19288 7614 1 18 . 1 1 24 24 LYS CA C 24 56.482 56.482 57.965 -1.483 19288 7615 1 18 . 1 1 24 24 LYS CB C 24 33.111 33.111 32.129 0.982 19288 7616 1 18 . 1 1 24 24 LYS H H 24 9.211 9.211 8.350 0.861 19288 7617 1 18 . 1 1 25 25 SER N N 25 110.950 110.950 116.257 -5.307 19288 7618 1 18 . 1 1 25 25 SER HA H 25 4.566 4.566 4.409 0.157 19288 7619 1 18 . 1 1 25 25 SER C C 25 175.671 175.671 175.401 0.270 19288 7620 1 18 . 1 1 25 25 SER CA C 25 55.683 55.683 59.402 -3.719 19288 7621 1 18 . 1 1 25 25 SER CB C 25 66.490 66.490 63.799 2.691 19288 7622 1 18 . 1 1 25 25 SER H H 25 7.474 7.474 7.542 -0.068 19288 7623 1 18 . 1 1 26 26 SER N N 26 119.411 119.411 113.591 5.820 19288 7624 1 18 . 1 1 26 26 SER C C 26 176.269 176.269 175.707 0.562 19288 7625 1 18 . 1 1 26 26 SER CA C 26 60.616 60.616 59.995 0.621 19288 7626 1 18 . 1 1 26 26 SER CB C 26 61.758 61.758 61.193 0.565 19288 7627 1 18 . 1 1 26 26 SER H H 26 8.487 8.487 7.701 0.786 19288 7628 1 18 . 1 1 27 27 HIS HA H 27 4.258 4.258 4.470 -0.212 19288 7629 1 18 . 1 1 27 27 HIS C C 27 173.658 173.658 175.671 -2.013 19288 7630 1 18 . 1 1 27 27 HIS CA C 27 59.581 59.581 58.017 1.564 19288 7631 1 18 . 1 1 27 27 HIS CB C 27 29.913 29.913 29.306 0.607 19288 7632 1 18 . 1 1 28 28 ASN N N 28 117.126 117.126 114.512 2.614 19288 7633 1 18 . 1 1 28 28 ASN HA H 28 4.216 4.216 4.628 -0.412 19288 7634 1 18 . 1 1 28 28 ASN CA C 28 55.547 55.547 53.523 2.025 19288 7635 1 18 . 1 1 28 28 ASN CB C 28 37.634 37.634 36.484 1.150 19288 7636 1 18 . 1 1 28 28 ASN H H 28 7.681 7.681 7.725 -0.044 19288 7637 1 18 . 1 1 29 29 LEU N N 29 121.121 121.121 123.694 -2.573 19288 7638 1 18 . 1 1 29 29 LEU HA H 29 3.177 3.177 4.041 -0.864 19288 7639 1 18 . 1 1 29 29 LEU C C 29 176.205 176.205 176.847 -0.642 19288 7640 1 18 . 1 1 29 29 LEU CA C 29 57.893 57.893 54.977 2.916 19288 7641 1 18 . 1 1 29 29 LEU H H 29 7.300 7.300 7.777 -0.477 19288 7642 1 18 . 1 1 30 30 ALA N N 30 122.058 122.058 125.640 -3.582 19288 7643 1 18 . 1 1 30 30 ALA HA H 30 3.917 3.917 4.147 -0.230 19288 7644 1 18 . 1 1 30 30 ALA C C 30 178.363 178.363 177.633 0.730 19288 7645 1 18 . 1 1 30 30 ALA CA C 30 55.487 55.487 53.284 2.203 19288 7646 1 18 . 1 1 30 30 ALA CB C 30 17.947 17.947 19.610 -1.663 19288 7647 1 18 . 1 1 30 30 ALA H H 30 7.987 7.987 7.714 0.273 19288 7648 1 18 . 1 1 31 31 VAL N N 31 116.442 116.442 118.219 -1.777 19288 7649 1 18 . 1 1 31 31 VAL HA H 31 3.556 3.556 4.574 -1.018 19288 7650 1 18 . 1 1 31 31 VAL C C 31 176.352 176.352 174.386 1.966 19288 7651 1 18 . 1 1 31 31 VAL CA C 31 65.936 65.936 59.331 6.605 19288 7652 1 18 . 1 1 31 31 VAL CB C 31 32.281 32.281 32.387 -0.106 19288 7653 1 18 . 1 1 31 31 VAL H H 31 7.636 7.636 7.728 -0.092 19288 7654 1 18 . 1 1 32 32 HIS HA H 32 4.125 4.125 4.611 -0.486 19288 7655 1 18 . 1 1 32 32 HIS C C 32 180.696 180.696 174.961 5.735 19288 7656 1 18 . 1 1 32 32 HIS CA C 32 59.377 59.377 57.664 1.713 19288 7657 1 18 . 1 1 32 32 HIS CB C 32 28.332 28.332 30.229 -1.897 19288 7658 1 18 . 1 1 33 33 ARG N N 33 115.795 115.795 118.745 -2.950 19288 7659 1 18 . 1 1 33 33 ARG HA H 33 3.658 3.658 4.653 -0.995 19288 7660 1 18 . 1 1 33 33 ARG C C 33 178.735 178.735 174.483 4.252 19288 7661 1 18 . 1 1 33 33 ARG CA C 33 60.012 60.012 55.953 4.059 19288 7662 1 18 . 1 1 33 33 ARG CB C 33 31.144 31.144 32.136 -0.992 19288 7663 1 18 . 1 1 33 33 ARG H H 33 8.633 8.633 8.259 0.374 19288 7664 1 18 . 1 1 34 34 MET N N 34 115.672 115.672 122.540 -6.868 19288 7665 1 18 . 1 1 34 34 MET HA H 34 4.211 4.211 4.952 -0.741 19288 7666 1 18 . 1 1 34 34 MET C C 34 176.427 176.427 175.004 1.423 19288 7667 1 18 . 1 1 34 34 MET CA C 34 57.866 57.866 54.650 3.216 19288 7668 1 18 . 1 1 34 34 MET CB C 34 32.221 32.221 36.176 -3.955 19288 7669 1 18 . 1 1 34 34 MET H H 34 7.057 7.057 8.415 -1.358 19288 7670 1 18 . 1 1 35 35 ILE N N 35 116.381 116.381 128.932 -12.551 19288 7671 1 18 . 1 1 35 35 ILE HA H 35 3.904 3.904 4.244 -0.340 19288 7672 1 18 . 1 1 35 35 ILE C C 35 177.504 177.504 174.596 2.908 19288 7673 1 18 . 1 1 35 35 ILE CA C 35 63.402 63.402 61.309 2.092 19288 7674 1 18 . 1 1 35 35 ILE CB C 35 37.724 37.724 39.008 -1.284 19288 7675 1 18 . 1 1 35 35 ILE H H 35 7.811 7.811 9.074 -1.263 19288 7676 1 18 . 1 1 36 36 HIS N N 36 117.423 117.423 127.063 -9.640 19288 7677 1 18 . 1 1 36 36 HIS HA H 36 4.481 4.481 5.048 -0.567 19288 7678 1 18 . 1 1 36 36 HIS C C 36 178.413 178.413 173.800 4.613 19288 7679 1 18 . 1 1 36 36 HIS CA C 36 55.260 55.260 55.297 -0.037 19288 7680 1 18 . 1 1 36 36 HIS CB C 36 28.066 28.066 31.425 -3.359 19288 7681 1 18 . 1 1 36 36 HIS H H 36 7.247 7.247 8.472 -1.225 19288 7682 1 18 . 1 1 37 37 THR N N 37 110.804 110.804 117.795 -6.991 19288 7683 1 18 . 1 1 37 37 THR HA H 37 4.160 4.160 4.407 -0.247 19288 7684 1 18 . 1 1 37 37 THR C C 37 177.179 177.179 174.069 3.110 19288 7685 1 18 . 1 1 37 37 THR CA C 37 62.791 62.791 62.555 0.236 19288 7686 1 18 . 1 1 37 37 THR CB C 37 69.712 69.712 71.480 -1.768 19288 7687 1 18 . 1 1 37 37 THR H H 37 7.553 7.553 7.737 -0.184 19288 7688 1 18 . 1 1 38 38 GLY N N 38 110.842 110.842 109.755 1.087 19288 7689 1 18 . 1 1 38 38 GLY C C 38 175.821 175.821 175.791 0.030 19288 7690 1 18 . 1 1 38 38 GLY CA C 38 45.403 45.403 43.165 2.238 19288 7691 1 18 . 1 1 38 38 GLY H H 38 8.195 8.195 7.596 0.599 19288 7692 1 18 . 1 1 39 39 GLU N N 39 120.441 120.441 124.531 -4.090 19288 7693 1 18 . 1 1 39 39 GLU HA H 39 4.238 4.238 4.420 -0.182 19288 7694 1 18 . 1 1 39 39 GLU C C 39 175.390 175.390 174.765 0.625 19288 7695 1 18 . 1 1 39 39 GLU CA C 39 56.572 56.572 57.748 -1.176 19288 7696 1 18 . 1 1 39 39 GLU H H 39 7.953 7.953 8.777 -0.824 19288 7697 1 18 . 1 1 40 40 LYS N N 40 123.624 123.624 127.004 -3.380 19288 7698 1 18 . 1 1 40 40 LYS HA H 40 4.534 4.534 4.553 -0.019 19288 7699 1 18 . 1 1 40 40 LYS C C 40 174.124 174.124 174.494 -0.370 19288 7700 1 18 . 1 1 40 40 LYS CA C 40 54.236 54.236 55.271 -1.035 19288 7701 1 18 . 1 1 40 40 LYS CB C 40 32.769 32.769 36.364 -3.595 19288 7702 1 18 . 1 1 40 40 LYS H H 40 8.321 8.321 8.421 -0.100 19288 7703 1 18 . 1 1 41 41 PRO HA H 41 4.404 4.404 4.979 -0.575 19288 7704 1 18 . 1 1 41 41 PRO C C 41 176.103 176.103 176.157 -0.054 19288 7705 1 18 . 1 1 41 41 PRO CA C 41 63.174 63.174 62.735 0.439 19288 7706 1 18 . 1 1 41 41 PRO CB C 41 32.306 32.306 32.608 -0.302 19288 7707 1 18 . 1 1 42 42 LEU N N 42 122.177 122.177 126.850 -4.673 19288 7708 1 18 . 1 1 42 42 LEU HA H 42 4.381 4.381 4.745 -0.364 19288 7709 1 18 . 1 1 42 42 LEU CA C 42 54.626 54.626 52.607 2.019 19288 7710 1 18 . 1 1 42 42 LEU CB C 42 42.719 42.719 45.860 -3.141 19288 7711 1 18 . 1 1 42 42 LEU H H 42 8.293 8.293 8.443 -0.150 19288 7712 1 18 . 1 1 43 43 GLN N N 43 119.188 119.188 118.681 0.507 19288 7713 1 18 . 1 1 43 43 GLN HA H 43 5.181 5.181 4.382 0.799 19288 7714 1 18 . 1 1 43 43 GLN C C 43 176.325 176.325 175.875 0.450 19288 7715 1 18 . 1 1 43 43 GLN CA C 43 53.898 53.898 57.206 -3.308 19288 7716 1 18 . 1 1 43 43 GLN CB C 43 32.969 32.969 29.521 3.448 19288 7717 1 18 . 1 1 43 43 GLN H H 43 8.180 8.180 8.483 -0.303 19288 7718 1 18 . 1 1 44 44 CYS N N 44 127.346 127.346 119.686 7.660 19288 7719 1 18 . 1 1 44 44 CYS HA H 44 4.453 4.453 4.691 -0.238 19288 7720 1 18 . 1 1 44 44 CYS C C 44 175.677 175.677 175.643 0.034 19288 7721 1 18 . 1 1 44 44 CYS CA C 44 59.437 59.437 58.065 1.372 19288 7722 1 18 . 1 1 44 44 CYS CB C 44 30.721 30.721 28.514 2.207 19288 7723 1 18 . 1 1 44 44 CYS H H 44 9.299 9.299 8.251 1.048 19288 7724 1 18 . 1 1 45 45 GLU N N 45 131.846 131.846 124.235 7.611 19288 7725 1 18 . 1 1 45 45 GLU HA H 45 4.178 4.178 4.129 0.049 19288 7726 1 18 . 1 1 45 45 GLU C C 45 174.655 174.655 177.530 -2.875 19288 7727 1 18 . 1 1 45 45 GLU CA C 45 58.342 58.342 59.397 -1.055 19288 7728 1 18 . 1 1 45 45 GLU CB C 45 29.819 29.819 29.155 0.664 19288 7729 1 18 . 1 1 45 45 GLU H H 45 9.602 9.602 9.103 0.499 19288 7730 1 18 . 1 1 46 46 ILE N N 46 121.898 121.898 119.615 2.283 19288 7731 1 18 . 1 1 46 46 ILE HA H 46 3.840 3.840 4.025 -0.185 19288 7732 1 18 . 1 1 46 46 ILE C C 46 177.404 177.404 178.475 -1.071 19288 7733 1 18 . 1 1 46 46 ILE CA C 46 63.494 63.494 64.072 -0.578 19288 7734 1 18 . 1 1 46 46 ILE CB C 46 38.461 38.461 36.751 1.710 19288 7735 1 18 . 1 1 46 46 ILE H H 46 8.973 8.973 8.644 0.329 19288 7736 1 18 . 1 1 47 47 CYS N N 47 117.274 117.274 117.922 -0.648 19288 7737 1 18 . 1 1 47 47 CYS HA H 47 5.231 5.231 4.418 0.813 19288 7738 1 18 . 1 1 47 47 CYS C C 47 176.087 176.087 176.749 -0.662 19288 7739 1 18 . 1 1 47 47 CYS CA C 47 58.455 58.455 61.759 -3.304 19288 7740 1 18 . 1 1 47 47 CYS CB C 47 33.590 33.590 27.712 5.878 19288 7741 1 18 . 1 1 47 47 CYS H H 47 8.432 8.432 7.360 1.072 19288 7742 1 18 . 1 1 48 48 GLY N N 48 112.655 112.655 109.838 2.817 19288 7743 1 18 . 1 1 48 48 GLY C C 48 177.177 177.177 177.169 0.008 19288 7744 1 18 . 1 1 48 48 GLY CA C 48 46.253 46.253 48.413 -2.159 19288 7745 1 18 . 1 1 48 48 GLY H H 48 8.016 8.016 7.681 0.335 19288 7746 1 18 . 1 1 49 49 PHE N N 49 125.000 125.000 118.948 6.052 19288 7747 1 18 . 1 1 49 49 PHE HA H 49 4.272 4.272 4.151 0.121 19288 7748 1 18 . 1 1 49 49 PHE C C 49 176.313 176.313 177.812 -1.499 19288 7749 1 18 . 1 1 49 49 PHE CA C 49 59.750 59.750 62.203 -2.454 19288 7750 1 18 . 1 1 49 49 PHE CB C 49 41.278 41.278 38.724 2.554 19288 7751 1 18 . 1 1 49 49 PHE H H 49 8.333 8.333 8.543 -0.210 19288 7752 1 18 . 1 1 50 50 THR N N 50 118.297 118.297 112.992 5.305 19288 7753 1 18 . 1 1 50 50 THR HA H 50 5.150 5.150 4.191 0.959 19288 7754 1 18 . 1 1 50 50 THR C C 50 173.480 173.480 176.746 -3.266 19288 7755 1 18 . 1 1 50 50 THR CA C 50 59.186 59.186 65.143 -5.957 19288 7756 1 18 . 1 1 50 50 THR CB C 50 71.954 71.954 68.824 3.130 19288 7757 1 18 . 1 1 50 50 THR H H 50 7.336 7.336 7.617 -0.281 19288 7758 1 18 . 1 1 51 51 CYS N N 51 115.101 115.101 120.482 -5.381 19288 7759 1 18 . 1 1 51 51 CYS HA H 51 4.540 4.540 3.824 0.716 19288 7760 1 18 . 1 1 51 51 CYS C C 51 173.381 173.381 177.295 -3.914 19288 7761 1 18 . 1 1 51 51 CYS CA C 51 56.305 56.305 63.127 -6.822 19288 7762 1 18 . 1 1 51 51 CYS CB C 51 30.578 30.578 27.940 2.638 19288 7763 1 18 . 1 1 51 51 CYS H H 51 8.318 8.318 8.222 0.096 19288 7764 1 18 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.301 0.265 19288 7765 1 18 . 1 1 52 52 ARG C C 52 172.494 172.494 178.318 -5.824 19288 7766 1 18 . 1 1 52 52 ARG CA C 52 56.923 56.923 59.600 -2.677 19288 7767 1 18 . 1 1 52 52 ARG CB C 52 31.891 31.891 30.393 1.498 19288 7768 1 18 . 1 1 53 53 GLN N N 53 115.534 115.534 119.463 -3.929 19288 7769 1 18 . 1 1 53 53 GLN HA H 53 4.719 4.719 4.050 0.669 19288 7770 1 18 . 1 1 53 53 GLN CA C 53 54.637 54.637 58.497 -3.860 19288 7771 1 18 . 1 1 53 53 GLN CB C 53 30.904 30.904 28.167 2.737 19288 7772 1 18 . 1 1 53 53 GLN H H 53 7.649 7.649 7.727 -0.078 19288 7773 1 18 . 1 1 54 54 LYS N N 54 127.065 127.065 118.418 8.647 19288 7774 1 18 . 1 1 54 54 LYS HA H 54 3.771 3.771 4.061 -0.290 19288 7775 1 18 . 1 1 54 54 LYS C C 54 176.035 176.035 178.501 -2.466 19288 7776 1 18 . 1 1 54 54 LYS CA C 54 59.833 59.833 58.139 1.694 19288 7777 1 18 . 1 1 54 54 LYS CB C 54 32.087 32.087 31.761 0.326 19288 7778 1 18 . 1 1 54 54 LYS H H 54 9.132 9.132 7.776 1.356 19288 7779 1 18 . 1 1 55 55 ALA N N 55 120.230 120.230 121.525 -1.295 19288 7780 1 18 . 1 1 55 55 ALA HA H 55 4.135 4.135 4.773 -0.638 19288 7781 1 18 . 1 1 55 55 ALA C C 55 176.728 176.728 178.426 -1.698 19288 7782 1 18 . 1 1 55 55 ALA CA C 55 55.456 55.456 52.496 2.960 19288 7783 1 18 . 1 1 55 55 ALA CB C 55 18.224 18.224 18.010 0.214 19288 7784 1 18 . 1 1 55 55 ALA H H 55 9.016 9.016 7.310 1.706 19288 7785 1 18 . 1 1 56 56 SER N N 56 112.225 112.225 116.096 -3.871 19288 7786 1 18 . 1 1 56 56 SER HA H 56 4.509 4.509 4.083 0.426 19288 7787 1 18 . 1 1 56 56 SER C C 56 178.309 178.309 175.001 3.308 19288 7788 1 18 . 1 1 56 56 SER CA C 56 61.172 61.172 61.134 0.038 19288 7789 1 18 . 1 1 56 56 SER CB C 56 62.925 62.925 63.353 -0.429 19288 7790 1 18 . 1 1 56 56 SER H H 56 7.097 7.097 7.447 -0.350 19288 7791 1 18 . 1 1 57 57 LEU N N 57 126.317 126.317 118.879 7.438 19288 7792 1 18 . 1 1 57 57 LEU HA H 57 4.327 4.327 4.453 -0.126 19288 7793 1 18 . 1 1 57 57 LEU C C 57 180.642 180.642 179.081 1.561 19288 7794 1 18 . 1 1 57 57 LEU CA C 57 58.038 58.038 57.781 0.257 19288 7795 1 18 . 1 1 57 57 LEU CB C 57 41.443 41.443 42.380 -0.937 19288 7796 1 18 . 1 1 57 57 LEU H H 57 7.667 7.667 7.605 0.062 19288 7797 1 18 . 1 1 58 58 ASN N N 58 118.325 118.325 118.160 0.165 19288 7798 1 18 . 1 1 58 58 ASN HA H 58 4.364 4.364 4.603 -0.239 19288 7799 1 18 . 1 1 58 58 ASN C C 58 176.770 176.770 178.137 -1.367 19288 7800 1 18 . 1 1 58 58 ASN CA C 58 56.457 56.457 56.948 -0.491 19288 7801 1 18 . 1 1 58 58 ASN CB C 58 37.852 37.852 38.221 -0.369 19288 7802 1 18 . 1 1 58 58 ASN H H 58 8.533 8.533 8.664 -0.131 19288 7803 1 18 . 1 1 59 59 TRP N N 59 119.802 119.802 122.047 -2.245 19288 7804 1 18 . 1 1 59 59 TRP HA H 59 4.349 4.349 4.375 -0.026 19288 7805 1 18 . 1 1 59 59 TRP C C 59 178.160 178.160 177.299 0.861 19288 7806 1 18 . 1 1 59 59 TRP CA C 59 60.432 60.432 60.103 0.329 19288 7807 1 18 . 1 1 59 59 TRP CB C 59 29.304 29.304 29.186 0.119 19288 7808 1 18 . 1 1 59 59 TRP H H 59 7.914 7.914 7.913 0.001 19288 7809 1 18 . 1 1 60 60 HIS N N 60 119.175 119.175 116.794 2.381 19288 7810 1 18 . 1 1 60 60 HIS HA H 60 3.675 3.675 4.504 -0.829 19288 7811 1 18 . 1 1 60 60 HIS C C 60 174.721 174.721 174.251 0.470 19288 7812 1 18 . 1 1 60 60 HIS CA C 60 60.038 60.038 56.041 3.997 19288 7813 1 18 . 1 1 60 60 HIS CB C 60 28.143 28.143 30.012 -1.869 19288 7814 1 18 . 1 1 60 60 HIS H H 60 8.131 8.131 7.512 0.619 19288 7815 1 18 . 1 1 61 61 MET N N 61 114.602 114.602 114.588 0.014 19288 7816 1 18 . 1 1 61 61 MET HA H 61 4.127 4.127 4.792 -0.665 19288 7817 1 18 . 1 1 61 61 MET C C 61 178.337 178.337 175.754 2.583 19288 7818 1 18 . 1 1 61 61 MET CA C 61 57.177 57.177 53.934 3.243 19288 7819 1 18 . 1 1 61 61 MET CB C 61 30.085 30.085 32.262 -2.177 19288 7820 1 18 . 1 1 61 61 MET H H 61 8.448 8.448 7.648 0.800 19288 7821 1 18 . 1 1 62 62 LYS N N 62 118.858 118.858 119.451 -0.593 19288 7822 1 18 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.008 -0.010 19288 7823 1 18 . 1 1 62 62 LYS C C 62 176.716 176.716 176.856 -0.140 19288 7824 1 18 . 1 1 62 62 LYS CA C 62 58.512 58.512 59.031 -0.519 19288 7825 1 18 . 1 1 62 62 LYS CB C 62 31.694 31.694 32.880 -1.185 19288 7826 1 18 . 1 1 62 62 LYS H H 62 7.285 7.285 8.119 -0.834 19288 7827 1 18 . 1 1 63 63 LYS N N 63 117.683 117.683 117.086 0.597 19288 7828 1 18 . 1 1 63 63 LYS HA H 63 3.793 3.793 4.518 -0.725 19288 7829 1 18 . 1 1 63 63 LYS C C 63 179.150 179.150 175.076 4.074 19288 7830 1 18 . 1 1 63 63 LYS CA C 63 57.827 57.827 54.383 3.444 19288 7831 1 18 . 1 1 63 63 LYS CB C 63 31.272 31.272 35.340 -4.068 19288 7832 1 18 . 1 1 63 63 LYS H H 63 7.516 7.516 7.844 -0.328 19288 7833 1 18 . 1 1 64 64 HIS N N 64 115.200 115.200 119.578 -4.378 19288 7834 1 18 . 1 1 64 64 HIS HA H 64 4.708 4.708 4.819 -0.111 19288 7835 1 18 . 1 1 64 64 HIS C C 64 178.727 178.727 173.200 5.527 19288 7836 1 18 . 1 1 64 64 HIS CA C 64 55.628 55.628 54.841 0.787 19288 7837 1 18 . 1 1 64 64 HIS CB C 64 28.782 28.782 32.600 -3.818 19288 7838 1 18 . 1 1 64 64 HIS H H 64 7.155 7.155 8.459 -1.304 19288 7839 1 18 . 1 1 65 65 ASP N N 65 120.441 120.441 121.521 -1.080 19288 7840 1 18 . 1 1 65 65 ASP HA H 65 4.503 4.503 4.885 -0.382 19288 7841 1 18 . 1 1 65 65 ASP C C 65 177.648 177.648 176.352 1.296 19288 7842 1 18 . 1 1 65 65 ASP CA C 65 55.296 55.296 53.236 2.059 19288 7843 1 18 . 1 1 65 65 ASP CB C 65 41.122 41.122 41.565 -0.443 19288 7844 1 18 . 1 1 65 65 ASP H H 65 7.653 7.653 8.648 -0.995 19288 7845 1 18 . 1 1 66 66 ALA N N 66 123.184 123.184 129.321 -6.137 19288 7846 1 18 . 1 1 66 66 ALA HA H 66 4.141 4.141 4.213 -0.072 19288 7847 1 18 . 1 1 66 66 ALA C C 66 175.172 175.172 178.532 -3.360 19288 7848 1 18 . 1 1 66 66 ALA CA C 66 53.693 53.693 54.464 -0.771 19288 7849 1 18 . 1 1 66 66 ALA CB C 66 19.049 19.049 18.926 0.123 19288 7850 1 18 . 1 1 66 66 ALA H H 66 8.088 8.088 8.573 -0.485 19288 7851 1 18 . 1 1 67 67 ASP N N 67 117.608 117.608 118.990 -1.382 19288 7852 1 18 . 1 1 67 67 ASP HA H 67 4.175 4.175 4.523 -0.348 19288 7853 1 18 . 1 1 67 67 ASP C C 67 176.687 176.687 176.479 0.208 19288 7854 1 18 . 1 1 67 67 ASP CA C 67 54.842 54.842 55.348 -0.506 19288 7855 1 18 . 1 1 67 67 ASP CB C 67 40.957 40.957 41.676 -0.719 19288 7856 1 18 . 1 1 67 67 ASP H H 67 7.999 7.999 8.277 -0.278 19288 7857 1 18 . 1 1 68 68 SER N N 68 114.794 114.794 112.042 2.752 19288 7858 1 18 . 1 1 68 68 SER HA H 68 4.145 4.145 4.795 -0.650 19288 7859 1 18 . 1 1 68 68 SER C C 68 178.056 178.056 174.592 3.464 19288 7860 1 18 . 1 1 68 68 SER CA C 68 59.397 59.397 56.422 2.975 19288 7861 1 18 . 1 1 68 68 SER CB C 68 63.682 63.682 64.989 -1.307 19288 7862 1 18 . 1 1 68 68 SER H H 68 7.797 7.797 8.111 -0.314 19288 7863 1 18 . 1 1 69 69 PHE N N 69 120.277 120.277 123.280 -3.003 19288 7864 1 18 . 1 1 69 69 PHE HA H 69 4.474 4.474 4.543 -0.069 19288 7865 1 18 . 1 1 69 69 PHE C C 69 176.959 176.959 174.634 2.325 19288 7866 1 18 . 1 1 69 69 PHE CA C 69 58.048 58.048 58.221 -0.173 19288 7867 1 18 . 1 1 69 69 PHE H H 69 7.850 7.850 8.659 -0.809 19288 7868 1 18 . 1 1 70 70 TYR N N 70 121.023 121.023 120.930 0.093 19288 7869 1 18 . 1 1 70 70 TYR HA H 70 4.494 4.494 4.036 0.458 19288 7870 1 18 . 1 1 70 70 TYR C C 70 174.330 174.330 175.168 -0.838 19288 7871 1 18 . 1 1 70 70 TYR CA C 70 56.491 56.491 57.537 -1.046 19288 7872 1 18 . 1 1 70 70 TYR CB C 70 37.727 37.727 39.300 -1.573 19288 7873 1 18 . 1 1 70 70 TYR H H 70 7.818 7.818 8.169 -0.351 19288 7874 1 18 . 1 1 71 71 GLN N N 71 119.046 119.046 119.042 0.004 19288 7875 1 18 . 1 1 71 71 GLN HA H 71 4.085 4.085 4.169 -0.084 19288 7876 1 18 . 1 1 71 71 GLN C C 71 175.830 175.830 174.089 1.741 19288 7877 1 18 . 1 1 71 71 GLN CA C 71 56.485 56.485 56.308 0.177 19288 7878 1 18 . 1 1 71 71 GLN CB C 71 30.291 30.291 26.316 3.975 19288 7879 1 18 . 1 1 71 71 GLN H H 71 8.352 8.352 8.043 0.309 19288 7880 1 18 . 1 1 72 72 PHE N N 72 117.779 117.779 118.129 -0.350 19288 7881 1 18 . 1 1 72 72 PHE HA H 72 4.850 4.850 4.521 0.329 19288 7882 1 18 . 1 1 72 72 PHE C C 72 176.323 176.323 175.365 0.958 19288 7883 1 18 . 1 1 72 72 PHE CA C 72 57.157 57.157 55.652 1.505 19288 7884 1 18 . 1 1 72 72 PHE CB C 72 41.106 41.106 41.315 -0.209 19288 7885 1 18 . 1 1 72 72 PHE H H 72 7.901 7.901 7.721 0.180 19288 7886 1 18 . 1 1 73 73 SER N N 73 114.707 114.707 117.269 -2.562 19288 7887 1 18 . 1 1 73 73 SER HA H 73 5.469 5.469 4.110 1.359 19288 7888 1 18 . 1 1 73 73 SER C C 73 175.151 175.151 173.756 1.395 19288 7889 1 18 . 1 1 73 73 SER CA C 73 57.026 57.026 59.618 -2.592 19288 7890 1 18 . 1 1 73 73 SER CB C 73 65.963 65.963 63.247 2.716 19288 7891 1 18 . 1 1 73 73 SER H H 73 8.744 8.744 8.667 0.077 19288 7892 1 18 . 1 1 74 74 CYS N N 74 124.143 124.143 116.563 7.580 19288 7893 1 18 . 1 1 74 74 CYS HA H 74 4.391 4.391 4.545 -0.154 19288 7894 1 18 . 1 1 74 74 CYS C C 74 174.848 174.848 174.796 0.052 19288 7895 1 18 . 1 1 74 74 CYS CA C 74 59.743 59.743 57.501 2.242 19288 7896 1 18 . 1 1 74 74 CYS CB C 74 30.581 30.581 29.105 1.476 19288 7897 1 18 . 1 1 74 74 CYS H H 74 9.154 9.154 7.541 1.613 19288 7898 1 18 . 1 1 75 75 ASN HA H 75 4.501 4.501 4.327 0.173 19288 7899 1 18 . 1 1 75 75 ASN C C 75 173.664 173.664 177.226 -3.562 19288 7900 1 18 . 1 1 75 75 ASN CA C 75 55.316 55.316 56.150 -0.834 19288 7901 1 18 . 1 1 75 75 ASN CB C 75 36.774 36.774 37.806 -1.032 19288 7902 1 18 . 1 1 76 76 ILE N N 76 123.143 123.143 118.725 4.418 19288 7903 1 18 . 1 1 76 76 ILE HA H 76 3.908 3.908 3.891 0.017 19288 7904 1 18 . 1 1 76 76 ILE CA C 76 63.223 63.223 64.849 -1.626 19288 7905 1 18 . 1 1 76 76 ILE CB C 76 38.269 38.269 37.727 0.542 19288 7906 1 18 . 1 1 76 76 ILE H H 76 8.921 8.921 8.324 0.597 19288 7907 1 18 . 1 1 77 77 CYS N N 77 116.298 116.298 118.442 -2.144 19288 7908 1 18 . 1 1 77 77 CYS HA H 77 5.159 5.159 4.019 1.140 19288 7909 1 18 . 1 1 77 77 CYS C C 77 174.401 174.401 176.698 -2.297 19288 7910 1 18 . 1 1 77 77 CYS CA C 77 58.394 58.394 61.486 -3.092 19288 7911 1 18 . 1 1 77 77 CYS CB C 77 32.743 32.743 26.933 5.810 19288 7912 1 18 . 1 1 77 77 CYS H H 77 8.243 8.243 7.375 0.868 19288 7913 1 18 . 1 1 78 78 GLY N N 78 113.607 113.607 111.322 2.285 19288 7914 1 18 . 1 1 78 78 GLY C C 78 176.862 176.862 176.541 0.321 19288 7915 1 18 . 1 1 78 78 GLY CA C 78 46.321 46.321 48.642 -2.321 19288 7916 1 18 . 1 1 78 78 GLY H H 78 8.060 8.060 7.289 0.771 19288 7917 1 18 . 1 1 79 79 LYS N N 79 123.134 123.134 120.973 2.161 19288 7918 1 18 . 1 1 79 79 LYS HA H 79 3.950 3.950 3.835 0.115 19288 7919 1 18 . 1 1 79 79 LYS C C 79 176.484 176.484 178.155 -1.671 19288 7920 1 18 . 1 1 79 79 LYS CA C 79 58.342 58.342 61.102 -2.760 19288 7921 1 18 . 1 1 79 79 LYS CB C 79 33.770 33.770 31.433 2.337 19288 7922 1 18 . 1 1 79 79 LYS H H 79 7.977 7.977 8.280 -0.303 19288 7923 1 18 . 1 1 80 80 LYS N N 80 121.440 121.440 118.944 2.496 19288 7924 1 18 . 1 1 80 80 LYS HA H 80 4.884 4.884 3.968 0.916 19288 7925 1 18 . 1 1 80 80 LYS C C 80 173.961 173.961 178.442 -4.481 19288 7926 1 18 . 1 1 80 80 LYS CA C 80 55.524 55.524 59.319 -3.795 19288 7927 1 18 . 1 1 80 80 LYS CB C 80 35.024 35.024 31.505 3.519 19288 7928 1 18 . 1 1 80 80 LYS H H 80 7.918 7.918 7.572 0.346 19288 7929 1 18 . 1 1 81 81 PHE N N 81 116.724 116.724 119.872 -3.148 19288 7930 1 18 . 1 1 81 81 PHE HA H 81 4.598 4.598 4.315 0.283 19288 7931 1 18 . 1 1 81 81 PHE C C 81 174.541 174.541 177.911 -3.370 19288 7932 1 18 . 1 1 81 81 PHE CA C 81 57.359 57.359 61.918 -4.559 19288 7933 1 18 . 1 1 81 81 PHE CB C 81 44.738 44.738 39.392 5.346 19288 7934 1 18 . 1 1 81 81 PHE H H 81 8.725 8.725 7.762 0.963 19288 7935 1 18 . 1 1 82 82 GLU N N 82 120.474 120.474 119.638 0.836 19288 7936 1 18 . 1 1 82 82 GLU HA H 82 4.155 4.155 4.374 -0.219 19288 7937 1 18 . 1 1 82 82 GLU C C 82 175.832 175.832 179.032 -3.200 19288 7938 1 18 . 1 1 82 82 GLU CA C 82 57.900 57.900 59.401 -1.501 19288 7939 1 18 . 1 1 82 82 GLU CB C 82 30.829 30.829 29.817 1.012 19288 7940 1 18 . 1 1 82 82 GLU H H 82 8.775 8.775 8.405 0.370 19288 7941 1 18 . 1 1 83 83 LYS N N 83 114.607 114.607 117.052 -2.445 19288 7942 1 18 . 1 1 83 83 LYS HA H 83 4.607 4.607 4.188 0.419 19288 7943 1 18 . 1 1 83 83 LYS C C 83 174.585 174.585 177.037 -2.452 19288 7944 1 18 . 1 1 83 83 LYS CA C 83 54.369 54.369 58.853 -4.484 19288 7945 1 18 . 1 1 83 83 LYS CB C 83 35.540 35.540 32.222 3.318 19288 7946 1 18 . 1 1 83 83 LYS H H 83 7.547 7.547 8.060 -0.513 19288 7947 1 18 . 1 1 84 84 LYS N N 84 124.921 124.921 116.933 7.988 19288 7948 1 18 . 1 1 84 84 LYS HA H 84 3.073 3.073 4.308 -1.235 19288 7949 1 18 . 1 1 84 84 LYS C C 84 176.545 176.545 178.443 -1.898 19288 7950 1 18 . 1 1 84 84 LYS CA C 84 59.680 59.680 57.573 2.107 19288 7951 1 18 . 1 1 84 84 LYS CB C 84 31.920 31.920 32.958 -1.038 19288 7952 1 18 . 1 1 84 84 LYS H H 84 8.162 8.162 7.450 0.712 19288 7953 1 18 . 1 1 85 85 ASP N N 85 116.468 116.468 118.885 -2.417 19288 7954 1 18 . 1 1 85 85 ASP HA H 85 4.192 4.192 4.273 -0.081 19288 7955 1 18 . 1 1 85 85 ASP C C 85 176.385 176.385 175.956 0.429 19288 7956 1 18 . 1 1 85 85 ASP CA C 85 56.789 56.789 56.166 0.623 19288 7957 1 18 . 1 1 85 85 ASP CB C 85 39.780 39.780 41.030 -1.250 19288 7958 1 18 . 1 1 85 85 ASP H H 85 8.682 8.682 8.044 0.638 19288 7959 1 18 . 1 1 86 86 SER N N 86 114.601 114.601 116.318 -1.717 19288 7960 1 18 . 1 1 86 86 SER HA H 86 4.183 4.183 4.804 -0.621 19288 7961 1 18 . 1 1 86 86 SER C C 86 179.169 179.169 172.430 6.739 19288 7962 1 18 . 1 1 86 86 SER CA C 86 60.939 60.939 54.761 6.178 19288 7963 1 18 . 1 1 86 86 SER CB C 86 62.823 62.823 63.554 -0.731 19288 7964 1 18 . 1 1 86 86 SER H H 86 7.200 7.200 7.601 -0.401 19288 7965 1 18 . 1 1 87 87 VAL HA H 87 2.698 2.698 4.185 -1.487 19288 7966 1 18 . 1 1 87 87 VAL C C 87 178.806 178.806 175.389 3.417 19288 7967 1 18 . 1 1 87 87 VAL CA C 87 66.028 66.028 62.133 3.895 19288 7968 1 18 . 1 1 87 87 VAL CB C 87 31.461 31.461 30.202 1.259 19288 7969 1 18 . 1 1 88 88 VAL N N 88 120.424 120.424 123.092 -2.668 19288 7970 1 18 . 1 1 88 88 VAL HA H 88 3.485 3.485 4.263 -0.778 19288 7971 1 18 . 1 1 88 88 VAL C C 88 176.208 176.208 175.318 0.890 19288 7972 1 18 . 1 1 88 88 VAL CA C 88 66.735 66.735 61.651 5.084 19288 7973 1 18 . 1 1 88 88 VAL CB C 88 31.948 31.948 32.396 -0.448 19288 7974 1 18 . 1 1 88 88 VAL H H 88 7.190 7.190 7.996 -0.806 19288 7975 1 19 . 1 1 10 10 HIS HA H 10 4.620 4.620 4.965 -0.345 19288 7976 1 19 . 1 1 10 10 HIS CA C 10 56.302 56.302 54.907 1.395 19288 7977 1 19 . 1 1 10 10 HIS CB C 10 30.312 30.312 31.802 -1.490 19288 7978 1 19 . 1 1 11 11 MET N N 11 121.464 121.464 124.043 -2.579 19288 7979 1 19 . 1 1 11 11 MET HA H 11 4.387 4.387 4.761 -0.374 19288 7980 1 19 . 1 1 11 11 MET CA C 11 55.835 55.835 55.354 0.481 19288 7981 1 19 . 1 1 11 11 MET CB C 11 32.794 32.794 34.642 -1.848 19288 7982 1 19 . 1 1 11 11 MET H H 11 8.178 8.178 8.073 0.105 19288 7983 1 19 . 1 1 12 12 ARG N N 12 121.614 121.614 122.562 -0.948 19288 7984 1 19 . 1 1 12 12 ARG HA H 12 4.244 4.244 4.270 -0.026 19288 7985 1 19 . 1 1 12 12 ARG CA C 12 55.802 55.802 57.615 -1.813 19288 7986 1 19 . 1 1 12 12 ARG CB C 12 31.110 31.110 30.524 0.586 19288 7987 1 19 . 1 1 12 12 ARG H H 12 8.209 8.209 8.490 -0.281 19288 7988 1 19 . 1 1 13 13 ASP N N 13 119.634 119.634 118.549 1.085 19288 7989 1 19 . 1 1 13 13 ASP HA H 13 4.667 4.667 4.635 0.032 19288 7990 1 19 . 1 1 13 13 ASP C C 13 175.723 175.723 173.841 1.882 19288 7991 1 19 . 1 1 13 13 ASP CA C 13 54.112 54.112 53.629 0.483 19288 7992 1 19 . 1 1 13 13 ASP CB C 13 42.459 42.459 42.369 0.090 19288 7993 1 19 . 1 1 13 13 ASP H H 13 7.858 7.858 7.562 0.296 19288 7994 1 19 . 1 1 14 14 TYR N N 14 120.932 120.932 119.714 1.218 19288 7995 1 19 . 1 1 14 14 TYR HA H 14 4.534 4.534 4.722 -0.188 19288 7996 1 19 . 1 1 14 14 TYR C C 14 174.767 174.767 176.377 -1.610 19288 7997 1 19 . 1 1 14 14 TYR CA C 14 57.521 57.521 57.448 0.073 19288 7998 1 19 . 1 1 14 14 TYR CB C 14 38.608 38.608 41.799 -3.191 19288 7999 1 19 . 1 1 14 14 TYR H H 14 8.676 8.676 8.507 0.169 19288 8000 1 19 . 1 1 15 15 ILE N N 15 124.585 124.585 123.938 0.647 19288 8001 1 19 . 1 1 15 15 ILE HA H 15 4.714 4.714 4.193 0.521 19288 8002 1 19 . 1 1 15 15 ILE C C 15 175.178 175.178 175.248 -0.070 19288 8003 1 19 . 1 1 15 15 ILE CA C 15 59.647 59.647 62.673 -3.026 19288 8004 1 19 . 1 1 15 15 ILE CB C 15 39.969 39.969 38.535 1.434 19288 8005 1 19 . 1 1 15 15 ILE H H 15 8.479 8.479 8.708 -0.229 19288 8006 1 19 . 1 1 16 16 CYS N N 16 129.411 129.411 115.981 13.430 19288 8007 1 19 . 1 1 16 16 CYS HA H 16 4.334 4.334 4.788 -0.454 19288 8008 1 19 . 1 1 16 16 CYS C C 16 174.675 174.675 175.145 -0.470 19288 8009 1 19 . 1 1 16 16 CYS CA C 16 61.303 61.303 57.732 3.571 19288 8010 1 19 . 1 1 16 16 CYS CB C 16 30.233 30.233 31.164 -0.931 19288 8011 1 19 . 1 1 16 16 CYS H H 16 9.141 9.141 7.735 1.406 19288 8012 1 19 . 1 1 17 17 GLU N N 17 133.830 133.830 126.315 7.515 19288 8013 1 19 . 1 1 17 17 GLU HA H 17 4.200 4.200 3.283 0.917 19288 8014 1 19 . 1 1 17 17 GLU C C 17 175.826 175.826 178.110 -2.284 19288 8015 1 19 . 1 1 17 17 GLU CA C 17 58.616 58.616 59.293 -0.677 19288 8016 1 19 . 1 1 17 17 GLU CB C 17 28.133 28.133 28.803 -0.670 19288 8017 1 19 . 1 1 17 17 GLU H H 17 10.744 10.744 8.967 1.777 19288 8018 1 19 . 1 1 18 18 TYR N N 18 121.850 121.850 121.950 -0.100 19288 8019 1 19 . 1 1 18 18 TYR HA H 18 4.316 4.316 4.337 -0.021 19288 8020 1 19 . 1 1 18 18 TYR C C 18 176.782 176.782 177.831 -1.049 19288 8021 1 19 . 1 1 18 18 TYR CA C 18 60.371 60.371 61.719 -1.348 19288 8022 1 19 . 1 1 18 18 TYR CB C 18 37.374 37.374 38.228 -0.854 19288 8023 1 19 . 1 1 18 18 TYR H H 18 9.190 9.190 8.491 0.699 19288 8024 1 19 . 1 1 19 19 CYS N N 19 116.138 116.138 117.927 -1.789 19288 8025 1 19 . 1 1 19 19 CYS HA H 19 5.111 5.111 4.220 0.891 19288 8026 1 19 . 1 1 19 19 CYS C C 19 176.019 176.019 176.985 -0.966 19288 8027 1 19 . 1 1 19 19 CYS CA C 19 58.721 58.721 61.801 -3.080 19288 8028 1 19 . 1 1 19 19 CYS CB C 19 32.573 32.573 27.157 5.416 19288 8029 1 19 . 1 1 19 19 CYS H H 19 7.999 7.999 8.469 -0.470 19288 8030 1 19 . 1 1 20 20 ALA N N 20 122.058 122.058 122.107 -0.049 19288 8031 1 19 . 1 1 20 20 ALA HA H 20 4.140 4.140 3.558 0.582 19288 8032 1 19 . 1 1 20 20 ALA C C 20 177.014 177.014 178.420 -1.406 19288 8033 1 19 . 1 1 20 20 ALA CA C 20 54.584 54.584 54.955 -0.371 19288 8034 1 19 . 1 1 20 20 ALA CB C 20 17.127 17.127 18.636 -1.509 19288 8035 1 19 . 1 1 20 20 ALA H H 20 8.067 8.067 7.639 0.428 19288 8036 1 19 . 1 1 21 21 ARG N N 21 121.286 121.286 119.577 1.709 19288 8037 1 19 . 1 1 21 21 ARG HA H 21 4.003 4.003 4.026 -0.023 19288 8038 1 19 . 1 1 21 21 ARG C C 21 175.133 175.133 178.508 -3.375 19288 8039 1 19 . 1 1 21 21 ARG CA C 21 58.236 58.236 59.119 -0.883 19288 8040 1 19 . 1 1 21 21 ARG CB C 21 31.677 31.677 29.349 2.328 19288 8041 1 19 . 1 1 21 21 ARG H H 21 7.947 7.947 8.003 -0.056 19288 8042 1 19 . 1 1 22 22 ALA N N 22 123.966 123.966 120.708 3.258 19288 8043 1 19 . 1 1 22 22 ALA HA H 22 5.008 5.008 3.781 1.227 19288 8044 1 19 . 1 1 22 22 ALA C C 22 175.750 175.750 179.268 -3.518 19288 8045 1 19 . 1 1 22 22 ALA CA C 22 50.811 50.811 55.758 -4.947 19288 8046 1 19 . 1 1 22 22 ALA CB C 22 21.928 21.928 18.032 3.896 19288 8047 1 19 . 1 1 22 22 ALA H H 22 7.968 7.968 7.705 0.263 19288 8048 1 19 . 1 1 23 23 PHE N N 23 118.728 118.728 120.476 -1.748 19288 8049 1 19 . 1 1 23 23 PHE HA H 23 4.678 4.678 4.132 0.546 19288 8050 1 19 . 1 1 23 23 PHE C C 23 173.852 173.852 177.687 -3.835 19288 8051 1 19 . 1 1 23 23 PHE CA C 23 57.367 57.367 61.753 -4.386 19288 8052 1 19 . 1 1 23 23 PHE CB C 23 43.458 43.458 39.283 4.175 19288 8053 1 19 . 1 1 23 23 PHE H H 23 9.004 9.004 7.715 1.289 19288 8054 1 19 . 1 1 24 24 LYS N N 24 119.176 119.176 116.928 2.248 19288 8055 1 19 . 1 1 24 24 LYS HA H 24 4.709 4.709 4.239 0.470 19288 8056 1 19 . 1 1 24 24 LYS C C 24 176.934 176.934 178.263 -1.329 19288 8057 1 19 . 1 1 24 24 LYS CA C 24 56.482 56.482 58.233 -1.751 19288 8058 1 19 . 1 1 24 24 LYS CB C 24 33.111 33.111 31.930 1.181 19288 8059 1 19 . 1 1 24 24 LYS H H 24 9.211 9.211 8.215 0.996 19288 8060 1 19 . 1 1 25 25 SER N N 25 110.950 110.950 116.119 -5.169 19288 8061 1 19 . 1 1 25 25 SER HA H 25 4.566 4.566 4.247 0.319 19288 8062 1 19 . 1 1 25 25 SER C C 25 175.671 175.671 175.288 0.383 19288 8063 1 19 . 1 1 25 25 SER CA C 25 55.683 55.683 61.197 -5.514 19288 8064 1 19 . 1 1 25 25 SER CB C 25 66.490 66.490 63.690 2.800 19288 8065 1 19 . 1 1 25 25 SER H H 25 7.474 7.474 7.434 0.040 19288 8066 1 19 . 1 1 26 26 SER N N 26 119.411 119.411 111.066 8.345 19288 8067 1 19 . 1 1 26 26 SER C C 26 176.269 176.269 175.562 0.707 19288 8068 1 19 . 1 1 26 26 SER CA C 26 60.616 60.616 59.932 0.684 19288 8069 1 19 . 1 1 26 26 SER CB C 26 61.758 61.758 61.461 0.297 19288 8070 1 19 . 1 1 26 26 SER H H 26 8.487 8.487 7.126 1.361 19288 8071 1 19 . 1 1 27 27 HIS HA H 27 4.258 4.258 4.454 -0.196 19288 8072 1 19 . 1 1 27 27 HIS C C 27 173.658 173.658 176.604 -2.946 19288 8073 1 19 . 1 1 27 27 HIS CA C 27 59.581 59.581 56.073 3.508 19288 8074 1 19 . 1 1 27 27 HIS CB C 27 29.913 29.913 29.106 0.807 19288 8075 1 19 . 1 1 28 28 ASN N N 28 117.126 117.126 116.793 0.333 19288 8076 1 19 . 1 1 28 28 ASN HA H 28 4.216 4.216 4.590 -0.374 19288 8077 1 19 . 1 1 28 28 ASN CA C 28 55.547 55.547 52.710 2.837 19288 8078 1 19 . 1 1 28 28 ASN CB C 28 37.634 37.634 36.399 1.235 19288 8079 1 19 . 1 1 28 28 ASN H H 28 7.681 7.681 7.689 -0.008 19288 8080 1 19 . 1 1 29 29 LEU N N 29 121.121 121.121 123.789 -2.668 19288 8081 1 19 . 1 1 29 29 LEU HA H 29 3.177 3.177 3.988 -0.811 19288 8082 1 19 . 1 1 29 29 LEU C C 29 176.205 176.205 177.041 -0.836 19288 8083 1 19 . 1 1 29 29 LEU CA C 29 57.893 57.893 54.667 3.226 19288 8084 1 19 . 1 1 29 29 LEU H H 29 7.300 7.300 7.761 -0.461 19288 8085 1 19 . 1 1 30 30 ALA N N 30 122.058 122.058 121.464 0.594 19288 8086 1 19 . 1 1 30 30 ALA HA H 30 3.917 3.917 3.923 -0.006 19288 8087 1 19 . 1 1 30 30 ALA C C 30 178.363 178.363 177.693 0.670 19288 8088 1 19 . 1 1 30 30 ALA CA C 30 55.487 55.487 54.059 1.428 19288 8089 1 19 . 1 1 30 30 ALA CB C 30 17.947 17.947 19.430 -1.483 19288 8090 1 19 . 1 1 30 30 ALA H H 30 7.987 7.987 8.239 -0.252 19288 8091 1 19 . 1 1 31 31 VAL N N 31 116.442 116.442 117.176 -0.734 19288 8092 1 19 . 1 1 31 31 VAL HA H 31 3.556 3.556 4.507 -0.951 19288 8093 1 19 . 1 1 31 31 VAL C C 31 176.352 176.352 174.549 1.803 19288 8094 1 19 . 1 1 31 31 VAL CA C 31 65.936 65.936 59.078 6.857 19288 8095 1 19 . 1 1 31 31 VAL CB C 31 32.281 32.281 31.636 0.645 19288 8096 1 19 . 1 1 31 31 VAL H H 31 7.636 7.636 7.855 -0.219 19288 8097 1 19 . 1 1 32 32 HIS HA H 32 4.125 4.125 4.552 -0.427 19288 8098 1 19 . 1 1 32 32 HIS C C 32 180.696 180.696 174.765 5.931 19288 8099 1 19 . 1 1 32 32 HIS CA C 32 59.377 59.377 56.959 2.418 19288 8100 1 19 . 1 1 32 32 HIS CB C 32 28.332 28.332 30.300 -1.968 19288 8101 1 19 . 1 1 33 33 ARG N N 33 115.795 115.795 119.721 -3.926 19288 8102 1 19 . 1 1 33 33 ARG HA H 33 3.658 3.658 4.674 -1.016 19288 8103 1 19 . 1 1 33 33 ARG C C 33 178.735 178.735 174.236 4.499 19288 8104 1 19 . 1 1 33 33 ARG CA C 33 60.012 60.012 55.693 4.319 19288 8105 1 19 . 1 1 33 33 ARG CB C 33 31.144 31.144 30.611 0.533 19288 8106 1 19 . 1 1 33 33 ARG H H 33 8.633 8.633 8.322 0.311 19288 8107 1 19 . 1 1 34 34 MET N N 34 115.672 115.672 122.277 -6.605 19288 8108 1 19 . 1 1 34 34 MET HA H 34 4.211 4.211 5.236 -1.025 19288 8109 1 19 . 1 1 34 34 MET C C 34 176.427 176.427 175.211 1.216 19288 8110 1 19 . 1 1 34 34 MET CA C 34 57.866 57.866 54.315 3.551 19288 8111 1 19 . 1 1 34 34 MET CB C 34 32.221 32.221 35.834 -3.613 19288 8112 1 19 . 1 1 34 34 MET H H 34 7.057 7.057 8.229 -1.172 19288 8113 1 19 . 1 1 35 35 ILE N N 35 116.381 116.381 127.328 -10.947 19288 8114 1 19 . 1 1 35 35 ILE HA H 35 3.904 3.904 4.479 -0.575 19288 8115 1 19 . 1 1 35 35 ILE C C 35 177.504 177.504 175.779 1.725 19288 8116 1 19 . 1 1 35 35 ILE CA C 35 63.402 63.402 60.160 3.242 19288 8117 1 19 . 1 1 35 35 ILE CB C 35 37.724 37.724 37.672 0.052 19288 8118 1 19 . 1 1 35 35 ILE H H 35 7.811 7.811 8.777 -0.966 19288 8119 1 19 . 1 1 36 36 HIS N N 36 117.423 117.423 128.360 -10.937 19288 8120 1 19 . 1 1 36 36 HIS HA H 36 4.481 4.481 4.606 -0.125 19288 8121 1 19 . 1 1 36 36 HIS C C 36 178.413 178.413 173.788 4.625 19288 8122 1 19 . 1 1 36 36 HIS CA C 36 55.260 55.260 56.977 -1.717 19288 8123 1 19 . 1 1 36 36 HIS CB C 36 28.066 28.066 27.826 0.240 19288 8124 1 19 . 1 1 36 36 HIS H H 36 7.247 7.247 8.945 -1.698 19288 8125 1 19 . 1 1 37 37 THR N N 37 110.804 110.804 117.163 -6.359 19288 8126 1 19 . 1 1 37 37 THR HA H 37 4.160 4.160 4.364 -0.204 19288 8127 1 19 . 1 1 37 37 THR C C 37 177.179 177.179 173.810 3.369 19288 8128 1 19 . 1 1 37 37 THR CA C 37 62.791 62.791 62.934 -0.142 19288 8129 1 19 . 1 1 37 37 THR CB C 37 69.712 69.712 71.180 -1.468 19288 8130 1 19 . 1 1 37 37 THR H H 37 7.553 7.553 8.174 -0.621 19288 8131 1 19 . 1 1 38 38 GLY N N 38 110.842 110.842 109.380 1.462 19288 8132 1 19 . 1 1 38 38 GLY C C 38 175.821 175.821 175.016 0.805 19288 8133 1 19 . 1 1 38 38 GLY CA C 38 45.403 45.403 43.251 2.152 19288 8134 1 19 . 1 1 38 38 GLY H H 38 8.195 8.195 8.291 -0.096 19288 8135 1 19 . 1 1 39 39 GLU N N 39 120.441 120.441 124.740 -4.299 19288 8136 1 19 . 1 1 39 39 GLU HA H 39 4.238 4.238 4.702 -0.464 19288 8137 1 19 . 1 1 39 39 GLU C C 39 175.390 175.390 175.242 0.148 19288 8138 1 19 . 1 1 39 39 GLU CA C 39 56.572 56.572 56.069 0.503 19288 8139 1 19 . 1 1 39 39 GLU H H 39 7.953 7.953 8.824 -0.871 19288 8140 1 19 . 1 1 40 40 LYS N N 40 123.624 123.624 126.511 -2.887 19288 8141 1 19 . 1 1 40 40 LYS HA H 40 4.534 4.534 4.263 0.271 19288 8142 1 19 . 1 1 40 40 LYS C C 40 174.124 174.124 174.855 -0.731 19288 8143 1 19 . 1 1 40 40 LYS CA C 40 54.236 54.236 56.474 -2.238 19288 8144 1 19 . 1 1 40 40 LYS CB C 40 32.769 32.769 33.587 -0.818 19288 8145 1 19 . 1 1 40 40 LYS H H 40 8.321 8.321 8.211 0.110 19288 8146 1 19 . 1 1 41 41 PRO HA H 41 4.404 4.404 5.297 -0.893 19288 8147 1 19 . 1 1 41 41 PRO C C 41 176.103 176.103 175.744 0.359 19288 8148 1 19 . 1 1 41 41 PRO CA C 41 63.174 63.174 61.577 1.597 19288 8149 1 19 . 1 1 41 41 PRO CB C 41 32.306 32.306 34.243 -1.937 19288 8150 1 19 . 1 1 42 42 LEU N N 42 122.177 122.177 123.729 -1.552 19288 8151 1 19 . 1 1 42 42 LEU HA H 42 4.381 4.381 4.408 -0.027 19288 8152 1 19 . 1 1 42 42 LEU CA C 42 54.626 54.626 53.136 1.490 19288 8153 1 19 . 1 1 42 42 LEU CB C 42 42.719 42.719 45.587 -2.868 19288 8154 1 19 . 1 1 42 42 LEU H H 42 8.293 8.293 8.605 -0.312 19288 8155 1 19 . 1 1 43 43 GLN N N 43 119.188 119.188 119.630 -0.442 19288 8156 1 19 . 1 1 43 43 GLN HA H 43 5.181 5.181 4.261 0.920 19288 8157 1 19 . 1 1 43 43 GLN C C 43 176.325 176.325 175.180 1.145 19288 8158 1 19 . 1 1 43 43 GLN CA C 43 53.898 53.898 56.382 -2.484 19288 8159 1 19 . 1 1 43 43 GLN CB C 43 32.969 32.969 28.867 4.102 19288 8160 1 19 . 1 1 43 43 GLN H H 43 8.180 8.180 8.510 -0.330 19288 8161 1 19 . 1 1 44 44 CYS N N 44 127.346 127.346 119.412 7.934 19288 8162 1 19 . 1 1 44 44 CYS HA H 44 4.453 4.453 4.744 -0.291 19288 8163 1 19 . 1 1 44 44 CYS C C 44 175.677 175.677 175.176 0.501 19288 8164 1 19 . 1 1 44 44 CYS CA C 44 59.437 59.437 57.236 2.200 19288 8165 1 19 . 1 1 44 44 CYS CB C 44 30.721 30.721 29.017 1.704 19288 8166 1 19 . 1 1 44 44 CYS H H 44 9.299 9.299 7.496 1.803 19288 8167 1 19 . 1 1 45 45 GLU N N 45 131.846 131.846 124.959 6.887 19288 8168 1 19 . 1 1 45 45 GLU HA H 45 4.178 4.178 4.023 0.155 19288 8169 1 19 . 1 1 45 45 GLU C C 45 174.655 174.655 177.968 -3.313 19288 8170 1 19 . 1 1 45 45 GLU CA C 45 58.342 58.342 59.811 -1.469 19288 8171 1 19 . 1 1 45 45 GLU CB C 45 29.819 29.819 29.114 0.705 19288 8172 1 19 . 1 1 45 45 GLU H H 45 9.602 9.602 9.070 0.532 19288 8173 1 19 . 1 1 46 46 ILE N N 46 121.898 121.898 120.286 1.612 19288 8174 1 19 . 1 1 46 46 ILE HA H 46 3.840 3.840 4.010 -0.170 19288 8175 1 19 . 1 1 46 46 ILE C C 46 177.404 177.404 178.552 -1.148 19288 8176 1 19 . 1 1 46 46 ILE CA C 46 63.494 63.494 64.307 -0.813 19288 8177 1 19 . 1 1 46 46 ILE CB C 46 38.461 38.461 36.673 1.788 19288 8178 1 19 . 1 1 46 46 ILE H H 46 8.973 8.973 8.573 0.400 19288 8179 1 19 . 1 1 47 47 CYS N N 47 117.274 117.274 117.398 -0.124 19288 8180 1 19 . 1 1 47 47 CYS HA H 47 5.231 5.231 4.267 0.964 19288 8181 1 19 . 1 1 47 47 CYS C C 47 176.087 176.087 177.566 -1.479 19288 8182 1 19 . 1 1 47 47 CYS CA C 47 58.455 58.455 62.514 -4.059 19288 8183 1 19 . 1 1 47 47 CYS CB C 47 33.590 33.590 27.744 5.846 19288 8184 1 19 . 1 1 47 47 CYS H H 47 8.432 8.432 7.875 0.557 19288 8185 1 19 . 1 1 48 48 GLY N N 48 112.655 112.655 109.065 3.590 19288 8186 1 19 . 1 1 48 48 GLY C C 48 177.177 177.177 176.750 0.427 19288 8187 1 19 . 1 1 48 48 GLY CA C 48 46.253 46.253 47.750 -1.497 19288 8188 1 19 . 1 1 48 48 GLY H H 48 8.016 8.016 7.769 0.247 19288 8189 1 19 . 1 1 49 49 PHE N N 49 125.000 125.000 119.579 5.421 19288 8190 1 19 . 1 1 49 49 PHE HA H 49 4.272 4.272 4.339 -0.067 19288 8191 1 19 . 1 1 49 49 PHE C C 49 176.313 176.313 178.438 -2.125 19288 8192 1 19 . 1 1 49 49 PHE CA C 49 59.750 59.750 61.971 -2.221 19288 8193 1 19 . 1 1 49 49 PHE CB C 49 41.278 41.278 39.139 2.139 19288 8194 1 19 . 1 1 49 49 PHE H H 49 8.333 8.333 8.698 -0.365 19288 8195 1 19 . 1 1 50 50 THR N N 50 118.297 118.297 112.040 6.257 19288 8196 1 19 . 1 1 50 50 THR HA H 50 5.150 5.150 4.285 0.865 19288 8197 1 19 . 1 1 50 50 THR C C 50 173.480 173.480 176.298 -2.818 19288 8198 1 19 . 1 1 50 50 THR CA C 50 59.186 59.186 65.486 -6.300 19288 8199 1 19 . 1 1 50 50 THR CB C 50 71.954 71.954 68.849 3.105 19288 8200 1 19 . 1 1 50 50 THR H H 50 7.336 7.336 7.716 -0.380 19288 8201 1 19 . 1 1 51 51 CYS N N 51 115.101 115.101 119.937 -4.836 19288 8202 1 19 . 1 1 51 51 CYS HA H 51 4.540 4.540 4.185 0.355 19288 8203 1 19 . 1 1 51 51 CYS C C 51 173.381 173.381 176.486 -3.105 19288 8204 1 19 . 1 1 51 51 CYS CA C 51 56.305 56.305 62.501 -6.196 19288 8205 1 19 . 1 1 51 51 CYS CB C 51 30.578 30.578 28.601 1.978 19288 8206 1 19 . 1 1 51 51 CYS H H 51 8.318 8.318 7.322 0.996 19288 8207 1 19 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.395 0.171 19288 8208 1 19 . 1 1 52 52 ARG C C 52 172.494 172.494 177.349 -4.855 19288 8209 1 19 . 1 1 52 52 ARG CA C 52 56.923 56.923 59.426 -2.503 19288 8210 1 19 . 1 1 52 52 ARG CB C 52 31.891 31.891 30.725 1.166 19288 8211 1 19 . 1 1 53 53 GLN N N 53 115.534 115.534 119.399 -3.865 19288 8212 1 19 . 1 1 53 53 GLN HA H 53 4.719 4.719 3.930 0.789 19288 8213 1 19 . 1 1 53 53 GLN CA C 53 54.637 54.637 58.662 -4.025 19288 8214 1 19 . 1 1 53 53 GLN CB C 53 30.904 30.904 28.072 2.833 19288 8215 1 19 . 1 1 53 53 GLN H H 53 7.649 7.649 7.817 -0.168 19288 8216 1 19 . 1 1 54 54 LYS N N 54 127.065 127.065 117.197 9.868 19288 8217 1 19 . 1 1 54 54 LYS HA H 54 3.771 3.771 3.890 -0.119 19288 8218 1 19 . 1 1 54 54 LYS C C 54 176.035 176.035 178.928 -2.893 19288 8219 1 19 . 1 1 54 54 LYS CA C 54 59.833 59.833 58.358 1.475 19288 8220 1 19 . 1 1 54 54 LYS CB C 54 32.087 32.087 31.719 0.368 19288 8221 1 19 . 1 1 54 54 LYS H H 54 9.132 9.132 7.486 1.646 19288 8222 1 19 . 1 1 55 55 ALA N N 55 120.230 120.230 119.808 0.422 19288 8223 1 19 . 1 1 55 55 ALA HA H 55 4.135 4.135 4.234 -0.099 19288 8224 1 19 . 1 1 55 55 ALA C C 55 176.728 176.728 179.104 -2.376 19288 8225 1 19 . 1 1 55 55 ALA CA C 55 55.456 55.456 53.271 2.185 19288 8226 1 19 . 1 1 55 55 ALA CB C 55 18.224 18.224 19.083 -0.859 19288 8227 1 19 . 1 1 55 55 ALA H H 55 9.016 9.016 7.315 1.701 19288 8228 1 19 . 1 1 56 56 SER N N 56 112.225 112.225 116.609 -4.384 19288 8229 1 19 . 1 1 56 56 SER HA H 56 4.509 4.509 4.367 0.142 19288 8230 1 19 . 1 1 56 56 SER C C 56 178.309 178.309 175.306 3.003 19288 8231 1 19 . 1 1 56 56 SER CA C 56 61.172 61.172 60.063 1.109 19288 8232 1 19 . 1 1 56 56 SER CB C 56 62.925 62.925 63.426 -0.501 19288 8233 1 19 . 1 1 56 56 SER H H 56 7.097 7.097 7.685 -0.588 19288 8234 1 19 . 1 1 57 57 LEU N N 57 126.317 126.317 119.383 6.934 19288 8235 1 19 . 1 1 57 57 LEU HA H 57 4.327 4.327 4.405 -0.078 19288 8236 1 19 . 1 1 57 57 LEU C C 57 180.642 180.642 175.762 4.880 19288 8237 1 19 . 1 1 57 57 LEU CA C 57 58.038 58.038 53.823 4.215 19288 8238 1 19 . 1 1 57 57 LEU CB C 57 41.443 41.443 42.099 -0.656 19288 8239 1 19 . 1 1 57 57 LEU H H 57 7.667 7.667 7.406 0.261 19288 8240 1 19 . 1 1 58 58 ASN N N 58 118.325 118.325 118.019 0.306 19288 8241 1 19 . 1 1 58 58 ASN HA H 58 4.364 4.364 4.412 -0.048 19288 8242 1 19 . 1 1 58 58 ASN C C 58 176.770 176.770 175.981 0.789 19288 8243 1 19 . 1 1 58 58 ASN CA C 58 56.457 56.457 53.820 2.637 19288 8244 1 19 . 1 1 58 58 ASN CB C 58 37.852 37.852 37.979 -0.127 19288 8245 1 19 . 1 1 58 58 ASN H H 58 8.533 8.533 7.562 0.971 19288 8246 1 19 . 1 1 59 59 TRP N N 59 119.802 119.802 122.437 -2.635 19288 8247 1 19 . 1 1 59 59 TRP HA H 59 4.349 4.349 4.231 0.118 19288 8248 1 19 . 1 1 59 59 TRP C C 59 178.160 178.160 176.513 1.647 19288 8249 1 19 . 1 1 59 59 TRP CA C 59 60.432 60.432 59.983 0.449 19288 8250 1 19 . 1 1 59 59 TRP CB C 59 29.304 29.304 29.332 -0.028 19288 8251 1 19 . 1 1 59 59 TRP H H 59 7.914 7.914 8.093 -0.179 19288 8252 1 19 . 1 1 60 60 HIS N N 60 119.175 119.175 116.938 2.237 19288 8253 1 19 . 1 1 60 60 HIS HA H 60 3.675 3.675 4.417 -0.742 19288 8254 1 19 . 1 1 60 60 HIS C C 60 174.721 174.721 176.723 -2.002 19288 8255 1 19 . 1 1 60 60 HIS CA C 60 60.038 60.038 56.384 3.654 19288 8256 1 19 . 1 1 60 60 HIS CB C 60 28.143 28.143 29.451 -1.308 19288 8257 1 19 . 1 1 60 60 HIS H H 60 8.131 8.131 7.025 1.106 19288 8258 1 19 . 1 1 61 61 MET N N 61 114.602 114.602 119.650 -5.048 19288 8259 1 19 . 1 1 61 61 MET HA H 61 4.127 4.127 4.424 -0.297 19288 8260 1 19 . 1 1 61 61 MET C C 61 178.337 178.337 176.020 2.317 19288 8261 1 19 . 1 1 61 61 MET CA C 61 57.177 57.177 54.623 2.554 19288 8262 1 19 . 1 1 61 61 MET CB C 61 30.085 30.085 29.489 0.596 19288 8263 1 19 . 1 1 61 61 MET H H 61 8.448 8.448 7.940 0.508 19288 8264 1 19 . 1 1 62 62 LYS N N 62 118.858 118.858 120.260 -1.402 19288 8265 1 19 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.105 -0.107 19288 8266 1 19 . 1 1 62 62 LYS C C 62 176.716 176.716 175.499 1.217 19288 8267 1 19 . 1 1 62 62 LYS CA C 62 58.512 58.512 56.395 2.117 19288 8268 1 19 . 1 1 62 62 LYS CB C 62 31.694 31.694 35.222 -3.529 19288 8269 1 19 . 1 1 62 62 LYS H H 62 7.285 7.285 8.231 -0.946 19288 8270 1 19 . 1 1 63 63 LYS N N 63 117.683 117.683 118.741 -1.058 19288 8271 1 19 . 1 1 63 63 LYS HA H 63 3.793 3.793 4.714 -0.921 19288 8272 1 19 . 1 1 63 63 LYS C C 63 179.150 179.150 174.806 4.344 19288 8273 1 19 . 1 1 63 63 LYS CA C 63 57.827 57.827 55.254 2.573 19288 8274 1 19 . 1 1 63 63 LYS CB C 63 31.272 31.272 36.508 -5.236 19288 8275 1 19 . 1 1 63 63 LYS H H 63 7.516 7.516 7.793 -0.277 19288 8276 1 19 . 1 1 64 64 HIS N N 64 115.200 115.200 119.549 -4.349 19288 8277 1 19 . 1 1 64 64 HIS HA H 64 4.708 4.708 4.902 -0.194 19288 8278 1 19 . 1 1 64 64 HIS C C 64 178.727 178.727 173.586 5.141 19288 8279 1 19 . 1 1 64 64 HIS CA C 64 55.628 55.628 54.642 0.986 19288 8280 1 19 . 1 1 64 64 HIS CB C 64 28.782 28.782 32.413 -3.631 19288 8281 1 19 . 1 1 64 64 HIS H H 64 7.155 7.155 8.458 -1.303 19288 8282 1 19 . 1 1 65 65 ASP N N 65 120.441 120.441 124.047 -3.606 19288 8283 1 19 . 1 1 65 65 ASP HA H 65 4.503 4.503 4.984 -0.481 19288 8284 1 19 . 1 1 65 65 ASP C C 65 177.648 177.648 177.043 0.605 19288 8285 1 19 . 1 1 65 65 ASP CA C 65 55.296 55.296 53.231 2.065 19288 8286 1 19 . 1 1 65 65 ASP CB C 65 41.122 41.122 41.837 -0.715 19288 8287 1 19 . 1 1 65 65 ASP H H 65 7.653 7.653 8.616 -0.963 19288 8288 1 19 . 1 1 66 66 ALA N N 66 123.184 123.184 130.308 -7.124 19288 8289 1 19 . 1 1 66 66 ALA HA H 66 4.141 4.141 4.132 0.009 19288 8290 1 19 . 1 1 66 66 ALA C C 66 175.172 175.172 178.491 -3.319 19288 8291 1 19 . 1 1 66 66 ALA CA C 66 53.693 53.693 54.612 -0.919 19288 8292 1 19 . 1 1 66 66 ALA CB C 66 19.049 19.049 18.969 0.080 19288 8293 1 19 . 1 1 66 66 ALA H H 66 8.088 8.088 8.732 -0.644 19288 8294 1 19 . 1 1 67 67 ASP N N 67 117.608 117.608 119.268 -1.660 19288 8295 1 19 . 1 1 67 67 ASP HA H 67 4.175 4.175 4.513 -0.338 19288 8296 1 19 . 1 1 67 67 ASP C C 67 176.687 176.687 176.608 0.079 19288 8297 1 19 . 1 1 67 67 ASP CA C 67 54.842 54.842 55.474 -0.632 19288 8298 1 19 . 1 1 67 67 ASP CB C 67 40.957 40.957 41.509 -0.552 19288 8299 1 19 . 1 1 67 67 ASP H H 67 7.999 7.999 8.236 -0.237 19288 8300 1 19 . 1 1 68 68 SER N N 68 114.794 114.794 113.022 1.772 19288 8301 1 19 . 1 1 68 68 SER HA H 68 4.145 4.145 4.801 -0.656 19288 8302 1 19 . 1 1 68 68 SER C C 68 178.056 178.056 174.495 3.561 19288 8303 1 19 . 1 1 68 68 SER CA C 68 59.397 59.397 56.479 2.918 19288 8304 1 19 . 1 1 68 68 SER CB C 68 63.682 63.682 65.069 -1.387 19288 8305 1 19 . 1 1 68 68 SER H H 68 7.797 7.797 7.922 -0.125 19288 8306 1 19 . 1 1 69 69 PHE N N 69 120.277 120.277 122.071 -1.794 19288 8307 1 19 . 1 1 69 69 PHE HA H 69 4.474 4.474 4.431 0.043 19288 8308 1 19 . 1 1 69 69 PHE C C 69 176.959 176.959 175.069 1.890 19288 8309 1 19 . 1 1 69 69 PHE CA C 69 58.048 58.048 58.370 -0.322 19288 8310 1 19 . 1 1 69 69 PHE H H 69 7.850 7.850 8.399 -0.549 19288 8311 1 19 . 1 1 70 70 TYR N N 70 121.023 121.023 121.363 -0.340 19288 8312 1 19 . 1 1 70 70 TYR HA H 70 4.494 4.494 4.071 0.423 19288 8313 1 19 . 1 1 70 70 TYR C C 70 174.330 174.330 175.093 -0.763 19288 8314 1 19 . 1 1 70 70 TYR CA C 70 56.491 56.491 57.499 -1.008 19288 8315 1 19 . 1 1 70 70 TYR CB C 70 37.727 37.727 39.440 -1.713 19288 8316 1 19 . 1 1 70 70 TYR H H 70 7.818 7.818 8.174 -0.356 19288 8317 1 19 . 1 1 71 71 GLN N N 71 119.046 119.046 117.998 1.048 19288 8318 1 19 . 1 1 71 71 GLN HA H 71 4.085 4.085 4.220 -0.135 19288 8319 1 19 . 1 1 71 71 GLN C C 71 175.830 175.830 174.521 1.309 19288 8320 1 19 . 1 1 71 71 GLN CA C 71 56.485 56.485 56.527 -0.042 19288 8321 1 19 . 1 1 71 71 GLN CB C 71 30.291 30.291 25.867 4.424 19288 8322 1 19 . 1 1 71 71 GLN H H 71 8.352 8.352 7.909 0.443 19288 8323 1 19 . 1 1 72 72 PHE N N 72 117.779 117.779 118.620 -0.841 19288 8324 1 19 . 1 1 72 72 PHE HA H 72 4.850 4.850 4.815 0.035 19288 8325 1 19 . 1 1 72 72 PHE C C 72 176.323 176.323 176.517 -0.194 19288 8326 1 19 . 1 1 72 72 PHE CA C 72 57.157 57.157 56.153 1.004 19288 8327 1 19 . 1 1 72 72 PHE CB C 72 41.106 41.106 42.660 -1.554 19288 8328 1 19 . 1 1 72 72 PHE H H 72 7.901 7.901 7.643 0.258 19288 8329 1 19 . 1 1 73 73 SER N N 73 114.707 114.707 116.180 -1.473 19288 8330 1 19 . 1 1 73 73 SER HA H 73 5.469 5.469 4.261 1.208 19288 8331 1 19 . 1 1 73 73 SER C C 73 175.151 175.151 174.016 1.135 19288 8332 1 19 . 1 1 73 73 SER CA C 73 57.026 57.026 59.878 -2.852 19288 8333 1 19 . 1 1 73 73 SER CB C 73 65.963 65.963 63.633 2.329 19288 8334 1 19 . 1 1 73 73 SER H H 73 8.744 8.744 8.896 -0.152 19288 8335 1 19 . 1 1 74 74 CYS N N 74 124.143 124.143 115.438 8.705 19288 8336 1 19 . 1 1 74 74 CYS HA H 74 4.391 4.391 4.896 -0.505 19288 8337 1 19 . 1 1 74 74 CYS C C 74 174.848 174.848 174.833 0.015 19288 8338 1 19 . 1 1 74 74 CYS CA C 74 59.743 59.743 57.499 2.244 19288 8339 1 19 . 1 1 74 74 CYS CB C 74 30.581 30.581 30.333 0.248 19288 8340 1 19 . 1 1 74 74 CYS H H 74 9.154 9.154 7.793 1.361 19288 8341 1 19 . 1 1 75 75 ASN HA H 75 4.501 4.501 4.149 0.352 19288 8342 1 19 . 1 1 75 75 ASN C C 75 173.664 173.664 176.318 -2.654 19288 8343 1 19 . 1 1 75 75 ASN CA C 75 55.316 55.316 56.020 -0.703 19288 8344 1 19 . 1 1 75 75 ASN CB C 75 36.774 36.774 37.790 -1.016 19288 8345 1 19 . 1 1 76 76 ILE N N 76 123.143 123.143 119.016 4.127 19288 8346 1 19 . 1 1 76 76 ILE HA H 76 3.908 3.908 3.917 -0.009 19288 8347 1 19 . 1 1 76 76 ILE CA C 76 63.223 63.223 64.338 -1.115 19288 8348 1 19 . 1 1 76 76 ILE CB C 76 38.269 38.269 37.413 0.855 19288 8349 1 19 . 1 1 76 76 ILE H H 76 8.921 8.921 8.270 0.651 19288 8350 1 19 . 1 1 77 77 CYS N N 77 116.298 116.298 117.854 -1.556 19288 8351 1 19 . 1 1 77 77 CYS HA H 77 5.159 5.159 4.142 1.017 19288 8352 1 19 . 1 1 77 77 CYS C C 77 174.401 174.401 176.285 -1.884 19288 8353 1 19 . 1 1 77 77 CYS CA C 77 58.394 58.394 60.827 -2.433 19288 8354 1 19 . 1 1 77 77 CYS CB C 77 32.743 32.743 27.349 5.394 19288 8355 1 19 . 1 1 77 77 CYS H H 77 8.243 8.243 7.409 0.834 19288 8356 1 19 . 1 1 78 78 GLY N N 78 113.607 113.607 111.028 2.579 19288 8357 1 19 . 1 1 78 78 GLY C C 78 176.862 176.862 176.250 0.612 19288 8358 1 19 . 1 1 78 78 GLY CA C 78 46.321 46.321 49.265 -2.944 19288 8359 1 19 . 1 1 78 78 GLY H H 78 8.060 8.060 7.363 0.697 19288 8360 1 19 . 1 1 79 79 LYS N N 79 123.134 123.134 120.073 3.061 19288 8361 1 19 . 1 1 79 79 LYS HA H 79 3.950 3.950 3.772 0.178 19288 8362 1 19 . 1 1 79 79 LYS C C 79 176.484 176.484 177.896 -1.412 19288 8363 1 19 . 1 1 79 79 LYS CA C 79 58.342 58.342 60.691 -2.349 19288 8364 1 19 . 1 1 79 79 LYS CB C 79 33.770 33.770 31.466 2.304 19288 8365 1 19 . 1 1 79 79 LYS H H 79 7.977 7.977 7.655 0.322 19288 8366 1 19 . 1 1 80 80 LYS N N 80 121.440 121.440 119.034 2.406 19288 8367 1 19 . 1 1 80 80 LYS HA H 80 4.884 4.884 4.026 0.858 19288 8368 1 19 . 1 1 80 80 LYS C C 80 173.961 173.961 178.439 -4.478 19288 8369 1 19 . 1 1 80 80 LYS CA C 80 55.524 55.524 59.243 -3.719 19288 8370 1 19 . 1 1 80 80 LYS CB C 80 35.024 35.024 31.665 3.359 19288 8371 1 19 . 1 1 80 80 LYS H H 80 7.918 7.918 7.445 0.473 19288 8372 1 19 . 1 1 81 81 PHE N N 81 116.724 116.724 120.151 -3.427 19288 8373 1 19 . 1 1 81 81 PHE HA H 81 4.598 4.598 4.368 0.230 19288 8374 1 19 . 1 1 81 81 PHE C C 81 174.541 174.541 177.960 -3.419 19288 8375 1 19 . 1 1 81 81 PHE CA C 81 57.359 57.359 61.811 -4.452 19288 8376 1 19 . 1 1 81 81 PHE CB C 81 44.738 44.738 39.426 5.311 19288 8377 1 19 . 1 1 81 81 PHE H H 81 8.725 8.725 7.608 1.117 19288 8378 1 19 . 1 1 82 82 GLU N N 82 120.474 120.474 119.877 0.597 19288 8379 1 19 . 1 1 82 82 GLU HA H 82 4.155 4.155 4.327 -0.172 19288 8380 1 19 . 1 1 82 82 GLU C C 82 175.832 175.832 178.992 -3.160 19288 8381 1 19 . 1 1 82 82 GLU CA C 82 57.900 57.900 59.182 -1.282 19288 8382 1 19 . 1 1 82 82 GLU CB C 82 30.829 30.829 29.466 1.363 19288 8383 1 19 . 1 1 82 82 GLU H H 82 8.775 8.775 8.539 0.236 19288 8384 1 19 . 1 1 83 83 LYS N N 83 114.607 114.607 116.559 -1.952 19288 8385 1 19 . 1 1 83 83 LYS HA H 83 4.607 4.607 4.158 0.449 19288 8386 1 19 . 1 1 83 83 LYS C C 83 174.585 174.585 177.268 -2.683 19288 8387 1 19 . 1 1 83 83 LYS CA C 83 54.369 54.369 59.030 -4.661 19288 8388 1 19 . 1 1 83 83 LYS CB C 83 35.540 35.540 32.049 3.491 19288 8389 1 19 . 1 1 83 83 LYS H H 83 7.547 7.547 8.024 -0.477 19288 8390 1 19 . 1 1 84 84 LYS N N 84 124.921 124.921 117.142 7.779 19288 8391 1 19 . 1 1 84 84 LYS HA H 84 3.073 3.073 4.295 -1.222 19288 8392 1 19 . 1 1 84 84 LYS C C 84 176.545 176.545 178.087 -1.542 19288 8393 1 19 . 1 1 84 84 LYS CA C 84 59.680 59.680 57.509 2.171 19288 8394 1 19 . 1 1 84 84 LYS CB C 84 31.920 31.920 33.373 -1.454 19288 8395 1 19 . 1 1 84 84 LYS H H 84 8.162 8.162 7.270 0.892 19288 8396 1 19 . 1 1 85 85 ASP N N 85 116.468 116.468 117.889 -1.421 19288 8397 1 19 . 1 1 85 85 ASP HA H 85 4.192 4.192 4.385 -0.193 19288 8398 1 19 . 1 1 85 85 ASP C C 85 176.385 176.385 176.191 0.194 19288 8399 1 19 . 1 1 85 85 ASP CA C 85 56.789 56.789 55.694 1.095 19288 8400 1 19 . 1 1 85 85 ASP CB C 85 39.780 39.780 41.589 -1.809 19288 8401 1 19 . 1 1 85 85 ASP H H 85 8.682 8.682 8.097 0.585 19288 8402 1 19 . 1 1 86 86 SER N N 86 114.601 114.601 117.763 -3.162 19288 8403 1 19 . 1 1 86 86 SER HA H 86 4.183 4.183 4.843 -0.660 19288 8404 1 19 . 1 1 86 86 SER C C 86 179.169 179.169 172.423 6.746 19288 8405 1 19 . 1 1 86 86 SER CA C 86 60.939 60.939 55.199 5.740 19288 8406 1 19 . 1 1 86 86 SER CB C 86 62.823 62.823 64.047 -1.224 19288 8407 1 19 . 1 1 86 86 SER H H 86 7.200 7.200 7.781 -0.581 19288 8408 1 19 . 1 1 87 87 VAL HA H 87 2.698 2.698 4.282 -1.584 19288 8409 1 19 . 1 1 87 87 VAL C C 87 178.806 178.806 175.255 3.551 19288 8410 1 19 . 1 1 87 87 VAL CA C 87 66.028 66.028 62.059 3.970 19288 8411 1 19 . 1 1 87 87 VAL CB C 87 31.461 31.461 31.209 0.252 19288 8412 1 19 . 1 1 88 88 VAL N N 88 120.424 120.424 125.192 -4.768 19288 8413 1 19 . 1 1 88 88 VAL HA H 88 3.485 3.485 4.368 -0.883 19288 8414 1 19 . 1 1 88 88 VAL C C 88 176.208 176.208 175.410 0.798 19288 8415 1 19 . 1 1 88 88 VAL CA C 88 66.735 66.735 61.398 5.337 19288 8416 1 19 . 1 1 88 88 VAL CB C 88 31.948 31.948 32.894 -0.946 19288 8417 1 19 . 1 1 88 88 VAL H H 88 7.190 7.190 7.969 -0.779 19288 8418 1 20 . 1 1 10 10 HIS HA H 10 4.620 4.620 4.952 -0.332 19288 8419 1 20 . 1 1 10 10 HIS CA C 10 56.302 56.302 54.782 1.520 19288 8420 1 20 . 1 1 10 10 HIS CB C 10 30.312 30.312 31.702 -1.390 19288 8421 1 20 . 1 1 11 11 MET N N 11 121.464 121.464 123.764 -2.300 19288 8422 1 20 . 1 1 11 11 MET HA H 11 4.387 4.387 4.672 -0.285 19288 8423 1 20 . 1 1 11 11 MET CA C 11 55.835 55.835 55.861 -0.026 19288 8424 1 20 . 1 1 11 11 MET CB C 11 32.794 32.794 33.781 -0.987 19288 8425 1 20 . 1 1 11 11 MET H H 11 8.178 8.178 8.181 -0.003 19288 8426 1 20 . 1 1 12 12 ARG N N 12 121.614 121.614 120.354 1.260 19288 8427 1 20 . 1 1 12 12 ARG HA H 12 4.244 4.244 4.639 -0.395 19288 8428 1 20 . 1 1 12 12 ARG CA C 12 55.802 55.802 56.167 -0.365 19288 8429 1 20 . 1 1 12 12 ARG CB C 12 31.110 31.110 31.233 -0.123 19288 8430 1 20 . 1 1 12 12 ARG H H 12 8.209 8.209 8.811 -0.602 19288 8431 1 20 . 1 1 13 13 ASP N N 13 119.634 119.634 119.225 0.409 19288 8432 1 20 . 1 1 13 13 ASP HA H 13 4.667 4.667 4.710 -0.043 19288 8433 1 20 . 1 1 13 13 ASP C C 13 175.723 175.723 174.134 1.589 19288 8434 1 20 . 1 1 13 13 ASP CA C 13 54.112 54.112 53.794 0.318 19288 8435 1 20 . 1 1 13 13 ASP CB C 13 42.459 42.459 42.228 0.231 19288 8436 1 20 . 1 1 13 13 ASP H H 13 7.858 7.858 7.633 0.225 19288 8437 1 20 . 1 1 14 14 TYR N N 14 120.932 120.932 119.748 1.184 19288 8438 1 20 . 1 1 14 14 TYR HA H 14 4.534 4.534 4.878 -0.344 19288 8439 1 20 . 1 1 14 14 TYR C C 14 174.767 174.767 175.891 -1.124 19288 8440 1 20 . 1 1 14 14 TYR CA C 14 57.521 57.521 56.995 0.526 19288 8441 1 20 . 1 1 14 14 TYR CB C 14 38.608 38.608 42.636 -4.028 19288 8442 1 20 . 1 1 14 14 TYR H H 14 8.676 8.676 8.343 0.333 19288 8443 1 20 . 1 1 15 15 ILE N N 15 124.585 124.585 119.323 5.262 19288 8444 1 20 . 1 1 15 15 ILE HA H 15 4.714 4.714 4.804 -0.090 19288 8445 1 20 . 1 1 15 15 ILE C C 15 175.178 175.178 175.363 -0.185 19288 8446 1 20 . 1 1 15 15 ILE CA C 15 59.647 59.647 60.577 -0.930 19288 8447 1 20 . 1 1 15 15 ILE CB C 15 39.969 39.969 38.346 1.623 19288 8448 1 20 . 1 1 15 15 ILE H H 15 8.479 8.479 8.465 0.014 19288 8449 1 20 . 1 1 16 16 CYS N N 16 129.411 129.411 117.829 11.582 19288 8450 1 20 . 1 1 16 16 CYS HA H 16 4.334 4.334 4.392 -0.058 19288 8451 1 20 . 1 1 16 16 CYS C C 16 174.675 174.675 174.746 -0.071 19288 8452 1 20 . 1 1 16 16 CYS CA C 16 61.303 61.303 57.858 3.445 19288 8453 1 20 . 1 1 16 16 CYS CB C 16 30.233 30.233 29.275 0.958 19288 8454 1 20 . 1 1 16 16 CYS H H 16 9.141 9.141 7.773 1.368 19288 8455 1 20 . 1 1 17 17 GLU N N 17 133.830 133.830 127.685 6.145 19288 8456 1 20 . 1 1 17 17 GLU HA H 17 4.200 4.200 3.784 0.416 19288 8457 1 20 . 1 1 17 17 GLU C C 17 175.826 175.826 177.996 -2.170 19288 8458 1 20 . 1 1 17 17 GLU CA C 17 58.616 58.616 59.199 -0.583 19288 8459 1 20 . 1 1 17 17 GLU CB C 17 28.133 28.133 29.528 -1.395 19288 8460 1 20 . 1 1 17 17 GLU H H 17 10.744 10.744 8.566 2.178 19288 8461 1 20 . 1 1 18 18 TYR N N 18 121.850 121.850 121.865 -0.015 19288 8462 1 20 . 1 1 18 18 TYR HA H 18 4.316 4.316 4.307 0.009 19288 8463 1 20 . 1 1 18 18 TYR C C 18 176.782 176.782 177.648 -0.866 19288 8464 1 20 . 1 1 18 18 TYR CA C 18 60.371 60.371 61.139 -0.768 19288 8465 1 20 . 1 1 18 18 TYR CB C 18 37.374 37.374 38.464 -1.090 19288 8466 1 20 . 1 1 18 18 TYR H H 18 9.190 9.190 7.784 1.406 19288 8467 1 20 . 1 1 19 19 CYS N N 19 116.138 116.138 118.134 -1.996 19288 8468 1 20 . 1 1 19 19 CYS HA H 19 5.111 5.111 4.269 0.842 19288 8469 1 20 . 1 1 19 19 CYS C C 19 176.019 176.019 177.115 -1.096 19288 8470 1 20 . 1 1 19 19 CYS CA C 19 58.721 58.721 61.685 -2.964 19288 8471 1 20 . 1 1 19 19 CYS CB C 19 32.573 32.573 27.984 4.589 19288 8472 1 20 . 1 1 19 19 CYS H H 19 7.999 7.999 7.821 0.178 19288 8473 1 20 . 1 1 20 20 ALA N N 20 122.058 122.058 122.294 -0.236 19288 8474 1 20 . 1 1 20 20 ALA HA H 20 4.140 4.140 3.318 0.822 19288 8475 1 20 . 1 1 20 20 ALA C C 20 177.014 177.014 178.207 -1.193 19288 8476 1 20 . 1 1 20 20 ALA CA C 20 54.584 54.584 54.950 -0.366 19288 8477 1 20 . 1 1 20 20 ALA CB C 20 17.127 17.127 18.497 -1.370 19288 8478 1 20 . 1 1 20 20 ALA H H 20 8.067 8.067 7.320 0.747 19288 8479 1 20 . 1 1 21 21 ARG N N 21 121.286 121.286 119.183 2.103 19288 8480 1 20 . 1 1 21 21 ARG HA H 21 4.003 4.003 4.017 -0.014 19288 8481 1 20 . 1 1 21 21 ARG C C 21 175.133 175.133 178.466 -3.333 19288 8482 1 20 . 1 1 21 21 ARG CA C 21 58.236 58.236 59.230 -0.994 19288 8483 1 20 . 1 1 21 21 ARG CB C 21 31.677 31.677 29.330 2.347 19288 8484 1 20 . 1 1 21 21 ARG H H 21 7.947 7.947 7.918 0.029 19288 8485 1 20 . 1 1 22 22 ALA N N 22 123.966 123.966 120.629 3.337 19288 8486 1 20 . 1 1 22 22 ALA HA H 22 5.008 5.008 3.806 1.202 19288 8487 1 20 . 1 1 22 22 ALA C C 22 175.750 175.750 179.205 -3.455 19288 8488 1 20 . 1 1 22 22 ALA CA C 22 50.811 50.811 56.645 -5.835 19288 8489 1 20 . 1 1 22 22 ALA CB C 22 21.928 21.928 18.570 3.358 19288 8490 1 20 . 1 1 22 22 ALA H H 22 7.968 7.968 7.704 0.264 19288 8491 1 20 . 1 1 23 23 PHE N N 23 118.728 118.728 120.471 -1.743 19288 8492 1 20 . 1 1 23 23 PHE HA H 23 4.678 4.678 4.269 0.409 19288 8493 1 20 . 1 1 23 23 PHE C C 23 173.852 173.852 177.929 -4.077 19288 8494 1 20 . 1 1 23 23 PHE CA C 23 57.367 57.367 61.583 -4.215 19288 8495 1 20 . 1 1 23 23 PHE CB C 23 43.458 43.458 39.279 4.179 19288 8496 1 20 . 1 1 23 23 PHE H H 23 9.004 9.004 7.632 1.372 19288 8497 1 20 . 1 1 24 24 LYS N N 24 119.176 119.176 116.926 2.250 19288 8498 1 20 . 1 1 24 24 LYS HA H 24 4.709 4.709 4.483 0.226 19288 8499 1 20 . 1 1 24 24 LYS C C 24 176.934 176.934 178.358 -1.424 19288 8500 1 20 . 1 1 24 24 LYS CA C 24 56.482 56.482 58.139 -1.657 19288 8501 1 20 . 1 1 24 24 LYS CB C 24 33.111 33.111 32.258 0.853 19288 8502 1 20 . 1 1 24 24 LYS H H 24 9.211 9.211 8.392 0.819 19288 8503 1 20 . 1 1 25 25 SER N N 25 110.950 110.950 116.318 -5.368 19288 8504 1 20 . 1 1 25 25 SER HA H 25 4.566 4.566 4.308 0.258 19288 8505 1 20 . 1 1 25 25 SER C C 25 175.671 175.671 175.839 -0.168 19288 8506 1 20 . 1 1 25 25 SER CA C 25 55.683 55.683 61.016 -5.333 19288 8507 1 20 . 1 1 25 25 SER CB C 25 66.490 66.490 63.595 2.895 19288 8508 1 20 . 1 1 25 25 SER H H 25 7.474 7.474 7.532 -0.058 19288 8509 1 20 . 1 1 26 26 SER N N 26 119.411 119.411 113.275 6.136 19288 8510 1 20 . 1 1 26 26 SER C C 26 176.269 176.269 175.068 1.201 19288 8511 1 20 . 1 1 26 26 SER CA C 26 60.616 60.616 59.785 0.831 19288 8512 1 20 . 1 1 26 26 SER CB C 26 61.758 61.758 61.522 0.236 19288 8513 1 20 . 1 1 26 26 SER H H 26 8.487 8.487 7.369 1.118 19288 8514 1 20 . 1 1 27 27 HIS HA H 27 4.258 4.258 4.290 -0.032 19288 8515 1 20 . 1 1 27 27 HIS C C 27 173.658 173.658 176.139 -2.481 19288 8516 1 20 . 1 1 27 27 HIS CA C 27 59.581 59.581 57.557 2.024 19288 8517 1 20 . 1 1 27 27 HIS CB C 27 29.913 29.913 29.336 0.577 19288 8518 1 20 . 1 1 28 28 ASN N N 28 117.126 117.126 112.935 4.191 19288 8519 1 20 . 1 1 28 28 ASN HA H 28 4.216 4.216 4.771 -0.555 19288 8520 1 20 . 1 1 28 28 ASN CA C 28 55.547 55.547 53.323 2.224 19288 8521 1 20 . 1 1 28 28 ASN CB C 28 37.634 37.634 38.362 -0.728 19288 8522 1 20 . 1 1 28 28 ASN H H 28 7.681 7.681 7.470 0.211 19288 8523 1 20 . 1 1 29 29 LEU N N 29 121.121 121.121 122.127 -1.006 19288 8524 1 20 . 1 1 29 29 LEU HA H 29 3.177 3.177 4.054 -0.877 19288 8525 1 20 . 1 1 29 29 LEU C C 29 176.205 176.205 177.000 -0.795 19288 8526 1 20 . 1 1 29 29 LEU CA C 29 57.893 57.893 54.947 2.946 19288 8527 1 20 . 1 1 29 29 LEU H H 29 7.300 7.300 7.600 -0.300 19288 8528 1 20 . 1 1 30 30 ALA N N 30 122.058 122.058 123.053 -0.995 19288 8529 1 20 . 1 1 30 30 ALA HA H 30 3.917 3.917 4.203 -0.286 19288 8530 1 20 . 1 1 30 30 ALA C C 30 178.363 178.363 177.456 0.907 19288 8531 1 20 . 1 1 30 30 ALA CA C 30 55.487 55.487 51.384 4.103 19288 8532 1 20 . 1 1 30 30 ALA CB C 30 17.947 17.947 18.527 -0.580 19288 8533 1 20 . 1 1 30 30 ALA H H 30 7.987 7.987 8.109 -0.122 19288 8534 1 20 . 1 1 31 31 VAL N N 31 116.442 116.442 120.613 -4.171 19288 8535 1 20 . 1 1 31 31 VAL HA H 31 3.556 3.556 3.778 -0.222 19288 8536 1 20 . 1 1 31 31 VAL C C 31 176.352 176.352 175.486 0.866 19288 8537 1 20 . 1 1 31 31 VAL CA C 31 65.936 65.936 61.952 3.984 19288 8538 1 20 . 1 1 31 31 VAL CB C 31 32.281 32.281 31.099 1.182 19288 8539 1 20 . 1 1 31 31 VAL H H 31 7.636 7.636 7.285 0.351 19288 8540 1 20 . 1 1 32 32 HIS HA H 32 4.125 4.125 4.257 -0.132 19288 8541 1 20 . 1 1 32 32 HIS C C 32 180.696 180.696 174.726 5.970 19288 8542 1 20 . 1 1 32 32 HIS CA C 32 59.377 59.377 57.778 1.599 19288 8543 1 20 . 1 1 32 32 HIS CB C 32 28.332 28.332 30.175 -1.843 19288 8544 1 20 . 1 1 33 33 ARG N N 33 115.795 115.795 119.187 -3.392 19288 8545 1 20 . 1 1 33 33 ARG HA H 33 3.658 3.658 4.601 -0.943 19288 8546 1 20 . 1 1 33 33 ARG C C 33 178.735 178.735 174.356 4.379 19288 8547 1 20 . 1 1 33 33 ARG CA C 33 60.012 60.012 55.594 4.418 19288 8548 1 20 . 1 1 33 33 ARG CB C 33 31.144 31.144 31.893 -0.749 19288 8549 1 20 . 1 1 33 33 ARG H H 33 8.633 8.633 7.700 0.933 19288 8550 1 20 . 1 1 34 34 MET N N 34 115.672 115.672 123.208 -7.536 19288 8551 1 20 . 1 1 34 34 MET HA H 34 4.211 4.211 5.084 -0.873 19288 8552 1 20 . 1 1 34 34 MET C C 34 176.427 176.427 175.204 1.223 19288 8553 1 20 . 1 1 34 34 MET CA C 34 57.866 57.866 53.973 3.893 19288 8554 1 20 . 1 1 34 34 MET CB C 34 32.221 32.221 35.183 -2.962 19288 8555 1 20 . 1 1 34 34 MET H H 34 7.057 7.057 8.352 -1.295 19288 8556 1 20 . 1 1 35 35 ILE N N 35 116.381 116.381 128.996 -12.615 19288 8557 1 20 . 1 1 35 35 ILE HA H 35 3.904 3.904 4.282 -0.378 19288 8558 1 20 . 1 1 35 35 ILE C C 35 177.504 177.504 175.894 1.610 19288 8559 1 20 . 1 1 35 35 ILE CA C 35 63.402 63.402 61.213 2.189 19288 8560 1 20 . 1 1 35 35 ILE CB C 35 37.724 37.724 37.043 0.681 19288 8561 1 20 . 1 1 35 35 ILE H H 35 7.811 7.811 8.948 -1.137 19288 8562 1 20 . 1 1 36 36 HIS N N 36 117.423 117.423 128.788 -11.365 19288 8563 1 20 . 1 1 36 36 HIS HA H 36 4.481 4.481 4.681 -0.200 19288 8564 1 20 . 1 1 36 36 HIS C C 36 178.413 178.413 174.166 4.247 19288 8565 1 20 . 1 1 36 36 HIS CA C 36 55.260 55.260 56.688 -1.427 19288 8566 1 20 . 1 1 36 36 HIS CB C 36 28.066 28.066 28.923 -0.857 19288 8567 1 20 . 1 1 36 36 HIS H H 36 7.247 7.247 8.848 -1.601 19288 8568 1 20 . 1 1 37 37 THR N N 37 110.804 110.804 116.624 -5.820 19288 8569 1 20 . 1 1 37 37 THR HA H 37 4.160 4.160 4.298 -0.138 19288 8570 1 20 . 1 1 37 37 THR C C 37 177.179 177.179 175.222 1.957 19288 8571 1 20 . 1 1 37 37 THR CA C 37 62.791 62.791 62.964 -0.173 19288 8572 1 20 . 1 1 37 37 THR CB C 37 69.712 69.712 70.560 -0.848 19288 8573 1 20 . 1 1 37 37 THR H H 37 7.553 7.553 8.220 -0.667 19288 8574 1 20 . 1 1 38 38 GLY N N 38 110.842 110.842 109.497 1.345 19288 8575 1 20 . 1 1 38 38 GLY C C 38 175.821 175.821 174.971 0.850 19288 8576 1 20 . 1 1 38 38 GLY CA C 38 45.403 45.403 43.324 2.079 19288 8577 1 20 . 1 1 38 38 GLY H H 38 8.195 8.195 8.620 -0.425 19288 8578 1 20 . 1 1 39 39 GLU N N 39 120.441 120.441 120.590 -0.149 19288 8579 1 20 . 1 1 39 39 GLU HA H 39 4.238 4.238 4.696 -0.458 19288 8580 1 20 . 1 1 39 39 GLU C C 39 175.390 175.390 174.511 0.879 19288 8581 1 20 . 1 1 39 39 GLU CA C 39 56.572 56.572 56.654 -0.082 19288 8582 1 20 . 1 1 39 39 GLU H H 39 7.953 7.953 8.326 -0.373 19288 8583 1 20 . 1 1 40 40 LYS N N 40 123.624 123.624 126.672 -3.048 19288 8584 1 20 . 1 1 40 40 LYS HA H 40 4.534 4.534 4.621 -0.087 19288 8585 1 20 . 1 1 40 40 LYS C C 40 174.124 174.124 173.910 0.214 19288 8586 1 20 . 1 1 40 40 LYS CA C 40 54.236 54.236 56.024 -1.788 19288 8587 1 20 . 1 1 40 40 LYS CB C 40 32.769 32.769 36.098 -3.329 19288 8588 1 20 . 1 1 40 40 LYS H H 40 8.321 8.321 8.749 -0.428 19288 8589 1 20 . 1 1 41 41 PRO HA H 41 4.404 4.404 4.807 -0.403 19288 8590 1 20 . 1 1 41 41 PRO C C 41 176.103 176.103 175.421 0.682 19288 8591 1 20 . 1 1 41 41 PRO CA C 41 63.174 63.174 62.447 0.727 19288 8592 1 20 . 1 1 41 41 PRO CB C 41 32.306 32.306 32.825 -0.519 19288 8593 1 20 . 1 1 42 42 LEU N N 42 122.177 122.177 127.063 -4.886 19288 8594 1 20 . 1 1 42 42 LEU HA H 42 4.381 4.381 4.422 -0.041 19288 8595 1 20 . 1 1 42 42 LEU CA C 42 54.626 54.626 52.969 1.657 19288 8596 1 20 . 1 1 42 42 LEU CB C 42 42.719 42.719 44.172 -1.453 19288 8597 1 20 . 1 1 42 42 LEU H H 42 8.293 8.293 8.271 0.022 19288 8598 1 20 . 1 1 43 43 GLN N N 43 119.188 119.188 123.141 -3.953 19288 8599 1 20 . 1 1 43 43 GLN HA H 43 5.181 5.181 4.173 1.008 19288 8600 1 20 . 1 1 43 43 GLN C C 43 176.325 176.325 175.279 1.046 19288 8601 1 20 . 1 1 43 43 GLN CA C 43 53.898 53.898 57.035 -3.137 19288 8602 1 20 . 1 1 43 43 GLN CB C 43 32.969 32.969 28.555 4.415 19288 8603 1 20 . 1 1 43 43 GLN H H 43 8.180 8.180 8.587 -0.407 19288 8604 1 20 . 1 1 44 44 CYS N N 44 127.346 127.346 120.295 7.051 19288 8605 1 20 . 1 1 44 44 CYS HA H 44 4.453 4.453 4.673 -0.220 19288 8606 1 20 . 1 1 44 44 CYS C C 44 175.677 175.677 174.490 1.187 19288 8607 1 20 . 1 1 44 44 CYS CA C 44 59.437 59.437 57.931 1.506 19288 8608 1 20 . 1 1 44 44 CYS CB C 44 30.721 30.721 28.974 1.747 19288 8609 1 20 . 1 1 44 44 CYS H H 44 9.299 9.299 7.405 1.894 19288 8610 1 20 . 1 1 45 45 GLU N N 45 131.846 131.846 125.111 6.735 19288 8611 1 20 . 1 1 45 45 GLU HA H 45 4.178 4.178 4.084 0.094 19288 8612 1 20 . 1 1 45 45 GLU C C 45 174.655 174.655 178.044 -3.389 19288 8613 1 20 . 1 1 45 45 GLU CA C 45 58.342 58.342 58.903 -0.561 19288 8614 1 20 . 1 1 45 45 GLU CB C 45 29.819 29.819 28.528 1.291 19288 8615 1 20 . 1 1 45 45 GLU H H 45 9.602 9.602 9.120 0.482 19288 8616 1 20 . 1 1 46 46 ILE N N 46 121.898 121.898 119.261 2.637 19288 8617 1 20 . 1 1 46 46 ILE HA H 46 3.840 3.840 4.124 -0.284 19288 8618 1 20 . 1 1 46 46 ILE C C 46 177.404 177.404 178.469 -1.065 19288 8619 1 20 . 1 1 46 46 ILE CA C 46 63.494 63.494 64.349 -0.855 19288 8620 1 20 . 1 1 46 46 ILE CB C 46 38.461 38.461 37.011 1.450 19288 8621 1 20 . 1 1 46 46 ILE H H 46 8.973 8.973 8.529 0.444 19288 8622 1 20 . 1 1 47 47 CYS N N 47 117.274 117.274 118.187 -0.913 19288 8623 1 20 . 1 1 47 47 CYS HA H 47 5.231 5.231 4.358 0.873 19288 8624 1 20 . 1 1 47 47 CYS C C 47 176.087 176.087 177.147 -1.060 19288 8625 1 20 . 1 1 47 47 CYS CA C 47 58.455 58.455 62.259 -3.804 19288 8626 1 20 . 1 1 47 47 CYS CB C 47 33.590 33.590 27.613 5.977 19288 8627 1 20 . 1 1 47 47 CYS H H 47 8.432 8.432 7.649 0.783 19288 8628 1 20 . 1 1 48 48 GLY N N 48 112.655 112.655 109.642 3.013 19288 8629 1 20 . 1 1 48 48 GLY C C 48 177.177 177.177 176.670 0.507 19288 8630 1 20 . 1 1 48 48 GLY CA C 48 46.253 46.253 48.236 -1.984 19288 8631 1 20 . 1 1 48 48 GLY H H 48 8.016 8.016 7.579 0.437 19288 8632 1 20 . 1 1 49 49 PHE N N 49 125.000 125.000 120.127 4.873 19288 8633 1 20 . 1 1 49 49 PHE HA H 49 4.272 4.272 4.184 0.088 19288 8634 1 20 . 1 1 49 49 PHE C C 49 176.313 176.313 177.694 -1.381 19288 8635 1 20 . 1 1 49 49 PHE CA C 49 59.750 59.750 61.640 -1.890 19288 8636 1 20 . 1 1 49 49 PHE CB C 49 41.278 41.278 38.813 2.465 19288 8637 1 20 . 1 1 49 49 PHE H H 49 8.333 8.333 8.360 -0.026 19288 8638 1 20 . 1 1 50 50 THR N N 50 118.297 118.297 112.277 6.020 19288 8639 1 20 . 1 1 50 50 THR HA H 50 5.150 5.150 4.076 1.074 19288 8640 1 20 . 1 1 50 50 THR C C 50 173.480 173.480 176.761 -3.281 19288 8641 1 20 . 1 1 50 50 THR CA C 50 59.186 59.186 65.603 -6.417 19288 8642 1 20 . 1 1 50 50 THR CB C 50 71.954 71.954 68.371 3.583 19288 8643 1 20 . 1 1 50 50 THR H H 50 7.336 7.336 7.882 -0.546 19288 8644 1 20 . 1 1 51 51 CYS N N 51 115.101 115.101 118.704 -3.603 19288 8645 1 20 . 1 1 51 51 CYS HA H 51 4.540 4.540 4.096 0.444 19288 8646 1 20 . 1 1 51 51 CYS C C 51 173.381 173.381 177.279 -3.898 19288 8647 1 20 . 1 1 51 51 CYS CA C 51 56.305 56.305 61.872 -5.567 19288 8648 1 20 . 1 1 51 51 CYS CB C 51 30.578 30.578 27.904 2.674 19288 8649 1 20 . 1 1 51 51 CYS H H 51 8.318 8.318 7.459 0.859 19288 8650 1 20 . 1 1 52 52 ARG HA H 52 4.566 4.566 3.714 0.852 19288 8651 1 20 . 1 1 52 52 ARG C C 52 172.494 172.494 177.838 -5.344 19288 8652 1 20 . 1 1 52 52 ARG CA C 52 56.923 56.923 59.419 -2.496 19288 8653 1 20 . 1 1 52 52 ARG CB C 52 31.891 31.891 30.138 1.753 19288 8654 1 20 . 1 1 53 53 GLN N N 53 115.534 115.534 118.911 -3.377 19288 8655 1 20 . 1 1 53 53 GLN HA H 53 4.719 4.719 3.953 0.766 19288 8656 1 20 . 1 1 53 53 GLN CA C 53 54.637 54.637 58.750 -4.113 19288 8657 1 20 . 1 1 53 53 GLN CB C 53 30.904 30.904 28.401 2.503 19288 8658 1 20 . 1 1 53 53 GLN H H 53 7.649 7.649 7.885 -0.236 19288 8659 1 20 . 1 1 54 54 LYS N N 54 127.065 127.065 116.673 10.392 19288 8660 1 20 . 1 1 54 54 LYS HA H 54 3.771 3.771 4.122 -0.351 19288 8661 1 20 . 1 1 54 54 LYS C C 54 176.035 176.035 179.135 -3.100 19288 8662 1 20 . 1 1 54 54 LYS CA C 54 59.833 59.833 58.647 1.186 19288 8663 1 20 . 1 1 54 54 LYS CB C 54 32.087 32.087 32.474 -0.387 19288 8664 1 20 . 1 1 54 54 LYS H H 54 9.132 9.132 7.315 1.817 19288 8665 1 20 . 1 1 55 55 ALA N N 55 120.230 120.230 121.322 -1.092 19288 8666 1 20 . 1 1 55 55 ALA HA H 55 4.135 4.135 4.260 -0.125 19288 8667 1 20 . 1 1 55 55 ALA C C 55 176.728 176.728 179.000 -2.272 19288 8668 1 20 . 1 1 55 55 ALA CA C 55 55.456 55.456 52.705 2.751 19288 8669 1 20 . 1 1 55 55 ALA CB C 55 18.224 18.224 18.591 -0.367 19288 8670 1 20 . 1 1 55 55 ALA H H 55 9.016 9.016 7.121 1.895 19288 8671 1 20 . 1 1 56 56 SER N N 56 112.225 112.225 113.866 -1.641 19288 8672 1 20 . 1 1 56 56 SER HA H 56 4.509 4.509 4.284 0.225 19288 8673 1 20 . 1 1 56 56 SER C C 56 178.309 178.309 175.484 2.825 19288 8674 1 20 . 1 1 56 56 SER CA C 56 61.172 61.172 60.566 0.606 19288 8675 1 20 . 1 1 56 56 SER CB C 56 62.925 62.925 63.129 -0.204 19288 8676 1 20 . 1 1 56 56 SER H H 56 7.097 7.097 7.874 -0.777 19288 8677 1 20 . 1 1 57 57 LEU N N 57 126.317 126.317 118.445 7.872 19288 8678 1 20 . 1 1 57 57 LEU HA H 57 4.327 4.327 4.045 0.282 19288 8679 1 20 . 1 1 57 57 LEU C C 57 180.642 180.642 177.263 3.379 19288 8680 1 20 . 1 1 57 57 LEU CA C 57 58.038 58.038 57.172 0.866 19288 8681 1 20 . 1 1 57 57 LEU CB C 57 41.443 41.443 41.958 -0.515 19288 8682 1 20 . 1 1 57 57 LEU H H 57 7.667 7.667 7.409 0.258 19288 8683 1 20 . 1 1 58 58 ASN N N 58 118.325 118.325 113.513 4.812 19288 8684 1 20 . 1 1 58 58 ASN HA H 58 4.364 4.364 4.656 -0.292 19288 8685 1 20 . 1 1 58 58 ASN C C 58 176.770 176.770 176.076 0.694 19288 8686 1 20 . 1 1 58 58 ASN CA C 58 56.457 56.457 53.827 2.630 19288 8687 1 20 . 1 1 58 58 ASN CB C 58 37.852 37.852 37.738 0.114 19288 8688 1 20 . 1 1 58 58 ASN H H 58 8.533 8.533 7.984 0.549 19288 8689 1 20 . 1 1 59 59 TRP N N 59 119.802 119.802 118.946 0.856 19288 8690 1 20 . 1 1 59 59 TRP HA H 59 4.349 4.349 4.307 0.042 19288 8691 1 20 . 1 1 59 59 TRP C C 59 178.160 178.160 177.124 1.036 19288 8692 1 20 . 1 1 59 59 TRP CA C 59 60.432 60.432 59.789 0.643 19288 8693 1 20 . 1 1 59 59 TRP CB C 59 29.304 29.304 29.183 0.121 19288 8694 1 20 . 1 1 59 59 TRP H H 59 7.914 7.914 8.598 -0.684 19288 8695 1 20 . 1 1 60 60 HIS N N 60 119.175 119.175 117.040 2.135 19288 8696 1 20 . 1 1 60 60 HIS HA H 60 3.675 3.675 4.301 -0.626 19288 8697 1 20 . 1 1 60 60 HIS C C 60 174.721 174.721 175.065 -0.344 19288 8698 1 20 . 1 1 60 60 HIS CA C 60 60.038 60.038 57.564 2.474 19288 8699 1 20 . 1 1 60 60 HIS CB C 60 28.143 28.143 29.475 -1.332 19288 8700 1 20 . 1 1 60 60 HIS H H 60 8.131 8.131 8.150 -0.019 19288 8701 1 20 . 1 1 61 61 MET N N 61 114.602 114.602 114.612 -0.010 19288 8702 1 20 . 1 1 61 61 MET HA H 61 4.127 4.127 4.618 -0.491 19288 8703 1 20 . 1 1 61 61 MET C C 61 178.337 178.337 176.146 2.191 19288 8704 1 20 . 1 1 61 61 MET CA C 61 57.177 57.177 55.449 1.728 19288 8705 1 20 . 1 1 61 61 MET CB C 61 30.085 30.085 34.338 -4.253 19288 8706 1 20 . 1 1 61 61 MET H H 61 8.448 8.448 7.552 0.896 19288 8707 1 20 . 1 1 62 62 LYS N N 62 118.858 118.858 116.470 2.388 19288 8708 1 20 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.186 -0.188 19288 8709 1 20 . 1 1 62 62 LYS C C 62 176.716 176.716 174.895 1.821 19288 8710 1 20 . 1 1 62 62 LYS CA C 62 58.512 58.512 56.331 2.181 19288 8711 1 20 . 1 1 62 62 LYS CB C 62 31.694 31.694 35.913 -4.219 19288 8712 1 20 . 1 1 62 62 LYS H H 62 7.285 7.285 8.404 -1.119 19288 8713 1 20 . 1 1 63 63 LYS N N 63 117.683 117.683 117.125 0.558 19288 8714 1 20 . 1 1 63 63 LYS HA H 63 3.793 3.793 4.661 -0.868 19288 8715 1 20 . 1 1 63 63 LYS C C 63 179.150 179.150 174.722 4.428 19288 8716 1 20 . 1 1 63 63 LYS CA C 63 57.827 57.827 55.580 2.247 19288 8717 1 20 . 1 1 63 63 LYS CB C 63 31.272 31.272 36.964 -5.692 19288 8718 1 20 . 1 1 63 63 LYS H H 63 7.516 7.516 7.723 -0.207 19288 8719 1 20 . 1 1 64 64 HIS N N 64 115.200 115.200 119.242 -4.042 19288 8720 1 20 . 1 1 64 64 HIS HA H 64 4.708 4.708 4.892 -0.184 19288 8721 1 20 . 1 1 64 64 HIS C C 64 178.727 178.727 172.745 5.982 19288 8722 1 20 . 1 1 64 64 HIS CA C 64 55.628 55.628 54.135 1.493 19288 8723 1 20 . 1 1 64 64 HIS CB C 64 28.782 28.782 33.080 -4.298 19288 8724 1 20 . 1 1 64 64 HIS H H 64 7.155 7.155 8.823 -1.668 19288 8725 1 20 . 1 1 65 65 ASP N N 65 120.441 120.441 123.028 -2.587 19288 8726 1 20 . 1 1 65 65 ASP HA H 65 4.503 4.503 5.026 -0.523 19288 8727 1 20 . 1 1 65 65 ASP C C 65 177.648 177.648 176.781 0.867 19288 8728 1 20 . 1 1 65 65 ASP CA C 65 55.296 55.296 52.692 2.604 19288 8729 1 20 . 1 1 65 65 ASP CB C 65 41.122 41.122 43.133 -2.011 19288 8730 1 20 . 1 1 65 65 ASP H H 65 7.653 7.653 8.585 -0.932 19288 8731 1 20 . 1 1 66 66 ALA N N 66 123.184 123.184 131.661 -8.477 19288 8732 1 20 . 1 1 66 66 ALA HA H 66 4.141 4.141 4.026 0.115 19288 8733 1 20 . 1 1 66 66 ALA C C 66 175.172 175.172 178.360 -3.188 19288 8734 1 20 . 1 1 66 66 ALA CA C 66 53.693 53.693 54.353 -0.660 19288 8735 1 20 . 1 1 66 66 ALA CB C 66 19.049 19.049 17.991 1.058 19288 8736 1 20 . 1 1 66 66 ALA H H 66 8.088 8.088 8.699 -0.611 19288 8737 1 20 . 1 1 67 67 ASP N N 67 117.608 117.608 118.336 -0.728 19288 8738 1 20 . 1 1 67 67 ASP HA H 67 4.175 4.175 4.498 -0.323 19288 8739 1 20 . 1 1 67 67 ASP C C 67 176.687 176.687 176.445 0.242 19288 8740 1 20 . 1 1 67 67 ASP CA C 67 54.842 54.842 55.016 -0.173 19288 8741 1 20 . 1 1 67 67 ASP CB C 67 40.957 40.957 41.133 -0.176 19288 8742 1 20 . 1 1 67 67 ASP H H 67 7.999 7.999 8.302 -0.303 19288 8743 1 20 . 1 1 68 68 SER N N 68 114.794 114.794 113.543 1.251 19288 8744 1 20 . 1 1 68 68 SER HA H 68 4.145 4.145 4.846 -0.701 19288 8745 1 20 . 1 1 68 68 SER C C 68 178.056 178.056 174.858 3.198 19288 8746 1 20 . 1 1 68 68 SER CA C 68 59.397 59.397 55.965 3.433 19288 8747 1 20 . 1 1 68 68 SER CB C 68 63.682 63.682 64.385 -0.703 19288 8748 1 20 . 1 1 68 68 SER H H 68 7.797 7.797 7.889 -0.092 19288 8749 1 20 . 1 1 69 69 PHE N N 69 120.277 120.277 122.327 -2.050 19288 8750 1 20 . 1 1 69 69 PHE HA H 69 4.474 4.474 4.647 -0.173 19288 8751 1 20 . 1 1 69 69 PHE C C 69 176.959 176.959 174.699 2.260 19288 8752 1 20 . 1 1 69 69 PHE CA C 69 58.048 58.048 57.558 0.490 19288 8753 1 20 . 1 1 69 69 PHE H H 69 7.850 7.850 8.540 -0.690 19288 8754 1 20 . 1 1 70 70 TYR N N 70 121.023 121.023 120.807 0.216 19288 8755 1 20 . 1 1 70 70 TYR HA H 70 4.494 4.494 4.068 0.426 19288 8756 1 20 . 1 1 70 70 TYR C C 70 174.330 174.330 175.812 -1.482 19288 8757 1 20 . 1 1 70 70 TYR CA C 70 56.491 56.491 57.631 -1.140 19288 8758 1 20 . 1 1 70 70 TYR CB C 70 37.727 37.727 39.557 -1.830 19288 8759 1 20 . 1 1 70 70 TYR H H 70 7.818 7.818 8.126 -0.308 19288 8760 1 20 . 1 1 71 71 GLN N N 71 119.046 119.046 118.493 0.553 19288 8761 1 20 . 1 1 71 71 GLN HA H 71 4.085 4.085 4.159 -0.074 19288 8762 1 20 . 1 1 71 71 GLN C C 71 175.830 175.830 174.246 1.584 19288 8763 1 20 . 1 1 71 71 GLN CA C 71 56.485 56.485 56.425 0.060 19288 8764 1 20 . 1 1 71 71 GLN CB C 71 30.291 30.291 25.502 4.789 19288 8765 1 20 . 1 1 71 71 GLN H H 71 8.352 8.352 7.820 0.532 19288 8766 1 20 . 1 1 72 72 PHE N N 72 117.779 117.779 118.824 -1.045 19288 8767 1 20 . 1 1 72 72 PHE HA H 72 4.850 4.850 4.662 0.189 19288 8768 1 20 . 1 1 72 72 PHE C C 72 176.323 176.323 175.698 0.625 19288 8769 1 20 . 1 1 72 72 PHE CA C 72 57.157 57.157 56.520 0.637 19288 8770 1 20 . 1 1 72 72 PHE CB C 72 41.106 41.106 42.025 -0.919 19288 8771 1 20 . 1 1 72 72 PHE H H 72 7.901 7.901 7.757 0.144 19288 8772 1 20 . 1 1 73 73 SER N N 73 114.707 114.707 115.956 -1.249 19288 8773 1 20 . 1 1 73 73 SER HA H 73 5.469 5.469 4.666 0.803 19288 8774 1 20 . 1 1 73 73 SER C C 73 175.151 175.151 174.392 0.759 19288 8775 1 20 . 1 1 73 73 SER CA C 73 57.026 57.026 60.088 -3.062 19288 8776 1 20 . 1 1 73 73 SER CB C 73 65.963 65.963 63.873 2.090 19288 8777 1 20 . 1 1 73 73 SER H H 73 8.744 8.744 8.807 -0.063 19288 8778 1 20 . 1 1 74 74 CYS N N 74 124.143 124.143 114.938 9.205 19288 8779 1 20 . 1 1 74 74 CYS HA H 74 4.391 4.391 4.761 -0.370 19288 8780 1 20 . 1 1 74 74 CYS C C 74 174.848 174.848 174.816 0.032 19288 8781 1 20 . 1 1 74 74 CYS CA C 74 59.743 59.743 57.596 2.147 19288 8782 1 20 . 1 1 74 74 CYS CB C 74 30.581 30.581 29.952 0.629 19288 8783 1 20 . 1 1 74 74 CYS H H 74 9.154 9.154 7.546 1.608 19288 8784 1 20 . 1 1 75 75 ASN HA H 75 4.501 4.501 4.141 0.360 19288 8785 1 20 . 1 1 75 75 ASN C C 75 173.664 173.664 177.233 -3.569 19288 8786 1 20 . 1 1 75 75 ASN CA C 75 55.316 55.316 55.089 0.227 19288 8787 1 20 . 1 1 75 75 ASN CB C 75 36.774 36.774 37.654 -0.880 19288 8788 1 20 . 1 1 76 76 ILE N N 76 123.143 123.143 118.913 4.230 19288 8789 1 20 . 1 1 76 76 ILE HA H 76 3.908 3.908 3.903 0.005 19288 8790 1 20 . 1 1 76 76 ILE CA C 76 63.223 63.223 64.501 -1.278 19288 8791 1 20 . 1 1 76 76 ILE CB C 76 38.269 38.269 37.848 0.421 19288 8792 1 20 . 1 1 76 76 ILE H H 76 8.921 8.921 8.225 0.696 19288 8793 1 20 . 1 1 77 77 CYS N N 77 116.298 116.298 118.161 -1.863 19288 8794 1 20 . 1 1 77 77 CYS HA H 77 5.159 5.159 3.931 1.228 19288 8795 1 20 . 1 1 77 77 CYS C C 77 174.401 174.401 176.336 -1.935 19288 8796 1 20 . 1 1 77 77 CYS CA C 77 58.394 58.394 61.508 -3.114 19288 8797 1 20 . 1 1 77 77 CYS CB C 77 32.743 32.743 27.468 5.275 19288 8798 1 20 . 1 1 77 77 CYS H H 77 8.243 8.243 7.371 0.872 19288 8799 1 20 . 1 1 78 78 GLY N N 78 113.607 113.607 110.949 2.658 19288 8800 1 20 . 1 1 78 78 GLY C C 78 176.862 176.862 176.081 0.781 19288 8801 1 20 . 1 1 78 78 GLY CA C 78 46.321 46.321 49.024 -2.703 19288 8802 1 20 . 1 1 78 78 GLY H H 78 8.060 8.060 7.429 0.631 19288 8803 1 20 . 1 1 79 79 LYS N N 79 123.134 123.134 119.811 3.323 19288 8804 1 20 . 1 1 79 79 LYS HA H 79 3.950 3.950 3.821 0.129 19288 8805 1 20 . 1 1 79 79 LYS C C 79 176.484 176.484 178.182 -1.698 19288 8806 1 20 . 1 1 79 79 LYS CA C 79 58.342 58.342 59.983 -1.641 19288 8807 1 20 . 1 1 79 79 LYS CB C 79 33.770 33.770 31.031 2.739 19288 8808 1 20 . 1 1 79 79 LYS H H 79 7.977 7.977 7.823 0.154 19288 8809 1 20 . 1 1 80 80 LYS N N 80 121.440 121.440 119.542 1.898 19288 8810 1 20 . 1 1 80 80 LYS HA H 80 4.884 4.884 4.025 0.859 19288 8811 1 20 . 1 1 80 80 LYS C C 80 173.961 173.961 178.419 -4.458 19288 8812 1 20 . 1 1 80 80 LYS CA C 80 55.524 55.524 59.298 -3.774 19288 8813 1 20 . 1 1 80 80 LYS CB C 80 35.024 35.024 31.549 3.475 19288 8814 1 20 . 1 1 80 80 LYS H H 80 7.918 7.918 7.270 0.648 19288 8815 1 20 . 1 1 81 81 PHE N N 81 116.724 116.724 119.992 -3.268 19288 8816 1 20 . 1 1 81 81 PHE HA H 81 4.598 4.598 4.311 0.287 19288 8817 1 20 . 1 1 81 81 PHE C C 81 174.541 174.541 177.910 -3.369 19288 8818 1 20 . 1 1 81 81 PHE CA C 81 57.359 57.359 61.903 -4.544 19288 8819 1 20 . 1 1 81 81 PHE CB C 81 44.738 44.738 39.366 5.372 19288 8820 1 20 . 1 1 81 81 PHE H H 81 8.725 8.725 7.682 1.043 19288 8821 1 20 . 1 1 82 82 GLU N N 82 120.474 120.474 119.533 0.941 19288 8822 1 20 . 1 1 82 82 GLU HA H 82 4.155 4.155 4.306 -0.151 19288 8823 1 20 . 1 1 82 82 GLU C C 82 175.832 175.832 178.871 -3.039 19288 8824 1 20 . 1 1 82 82 GLU CA C 82 57.900 57.900 59.528 -1.628 19288 8825 1 20 . 1 1 82 82 GLU CB C 82 30.829 30.829 29.701 1.128 19288 8826 1 20 . 1 1 82 82 GLU H H 82 8.775 8.775 8.413 0.362 19288 8827 1 20 . 1 1 83 83 LYS N N 83 114.607 114.607 118.561 -3.954 19288 8828 1 20 . 1 1 83 83 LYS HA H 83 4.607 4.607 4.124 0.483 19288 8829 1 20 . 1 1 83 83 LYS C C 83 174.585 174.585 177.714 -3.129 19288 8830 1 20 . 1 1 83 83 LYS CA C 83 54.369 54.369 58.989 -4.620 19288 8831 1 20 . 1 1 83 83 LYS CB C 83 35.540 35.540 32.062 3.478 19288 8832 1 20 . 1 1 83 83 LYS H H 83 7.547 7.547 7.798 -0.251 19288 8833 1 20 . 1 1 84 84 LYS N N 84 124.921 124.921 117.065 7.856 19288 8834 1 20 . 1 1 84 84 LYS HA H 84 3.073 3.073 4.299 -1.226 19288 8835 1 20 . 1 1 84 84 LYS C C 84 176.545 176.545 178.664 -2.119 19288 8836 1 20 . 1 1 84 84 LYS CA C 84 59.680 59.680 57.518 2.162 19288 8837 1 20 . 1 1 84 84 LYS CB C 84 31.920 31.920 32.535 -0.615 19288 8838 1 20 . 1 1 84 84 LYS H H 84 8.162 8.162 7.381 0.781 19288 8839 1 20 . 1 1 85 85 ASP N N 85 116.468 116.468 118.084 -1.616 19288 8840 1 20 . 1 1 85 85 ASP HA H 85 4.192 4.192 4.313 -0.121 19288 8841 1 20 . 1 1 85 85 ASP C C 85 176.385 176.385 175.583 0.802 19288 8842 1 20 . 1 1 85 85 ASP CA C 85 56.789 56.789 55.625 1.164 19288 8843 1 20 . 1 1 85 85 ASP CB C 85 39.780 39.780 40.954 -1.174 19288 8844 1 20 . 1 1 85 85 ASP H H 85 8.682 8.682 8.012 0.670 19288 8845 1 20 . 1 1 86 86 SER N N 86 114.601 114.601 116.363 -1.762 19288 8846 1 20 . 1 1 86 86 SER HA H 86 4.183 4.183 4.780 -0.597 19288 8847 1 20 . 1 1 86 86 SER C C 86 179.169 179.169 171.910 7.259 19288 8848 1 20 . 1 1 86 86 SER CA C 86 60.939 60.939 54.948 5.991 19288 8849 1 20 . 1 1 86 86 SER CB C 86 62.823 62.823 63.569 -0.746 19288 8850 1 20 . 1 1 86 86 SER H H 86 7.200 7.200 7.576 -0.376 19288 8851 1 20 . 1 1 87 87 VAL HA H 87 2.698 2.698 4.117 -1.419 19288 8852 1 20 . 1 1 87 87 VAL C C 87 178.806 178.806 175.040 3.766 19288 8853 1 20 . 1 1 87 87 VAL CA C 87 66.028 66.028 62.516 3.512 19288 8854 1 20 . 1 1 87 87 VAL CB C 87 31.461 31.461 30.848 0.613 19288 8855 1 20 . 1 1 88 88 VAL N N 88 120.424 120.424 123.741 -3.317 19288 8856 1 20 . 1 1 88 88 VAL HA H 88 3.485 3.485 4.447 -0.962 19288 8857 1 20 . 1 1 88 88 VAL C C 88 176.208 176.208 175.513 0.695 19288 8858 1 20 . 1 1 88 88 VAL CA C 88 66.735 66.735 61.366 5.369 19288 8859 1 20 . 1 1 88 88 VAL CB C 88 31.948 31.948 33.365 -1.417 19288 8860 1 20 . 1 1 88 88 VAL H H 88 7.190 7.190 7.831 -0.641 19288 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 72 4.693 0.082 4.725 19288 2 1 1 "Average Difference" HA 81 0.557 0.021 0.560 19288 3 1 1 "Average Difference" C 72 2.609 0.040 2.627 19288 4 1 1 "Average Difference" CA 79 2.828 -0.025 2.846 19288 5 1 1 "Average Difference" CB 73 2.407 -0.498 2.371 19288 6 1 1 "Average Difference" HN 72 0.821 -0.151 0.812 19288 7 1 2 "Average Difference" N 72 4.504 -0.177 4.532 19288 8 1 2 "Average Difference" HA 81 0.539 0.037 0.541 19288 9 1 2 "Average Difference" C 72 2.551 0.108 2.566 19288 10 1 2 "Average Difference" CA 79 2.725 0.086 2.741 19288 11 1 2 "Average Difference" CB 73 2.342 -0.595 2.281 19288 12 1 2 "Average Difference" HN 72 0.713 -0.158 0.700 19288 13 1 3 "Average Difference" N 72 4.846 -0.027 4.880 19288 14 1 3 "Average Difference" HA 81 0.584 0.017 0.588 19288 15 1 3 "Average Difference" C 72 2.684 0.009 2.703 19288 16 1 3 "Average Difference" CA 79 2.817 -0.101 2.833 19288 17 1 3 "Average Difference" CB 73 2.387 -0.462 2.358 19288 18 1 3 "Average Difference" HN 72 0.759 -0.141 0.751 19288 19 1 4 "Average Difference" N 72 4.582 -0.128 4.613 19288 20 1 4 "Average Difference" HA 81 0.570 0.015 0.573 19288 21 1 4 "Average Difference" C 72 2.553 -0.133 2.568 19288 22 1 4 "Average Difference" CA 79 2.724 0.001 2.741 19288 23 1 4 "Average Difference" CB 73 2.376 -0.330 2.369 19288 24 1 4 "Average Difference" HN 72 0.785 -0.196 0.765 19288 25 1 5 "Average Difference" N 72 4.472 0.010 4.504 19288 26 1 5 "Average Difference" HA 81 0.555 0.020 0.558 19288 27 1 5 "Average Difference" C 72 2.634 -0.025 2.652 19288 28 1 5 "Average Difference" CA 79 2.707 -0.037 2.724 19288 29 1 5 "Average Difference" CB 73 2.416 -0.363 2.405 19288 30 1 5 "Average Difference" HN 72 0.775 -0.140 0.768 19288 31 1 6 "Average Difference" N 72 4.791 -0.245 4.818 19288 32 1 6 "Average Difference" HA 81 0.571 0.063 0.571 19288 33 1 6 "Average Difference" C 72 2.640 0.020 2.659 19288 34 1 6 "Average Difference" CA 79 2.779 -0.027 2.797 19288 35 1 6 "Average Difference" CB 73 2.420 -0.386 2.405 19288 36 1 6 "Average Difference" HN 72 0.780 -0.128 0.775 19288 37 1 7 "Average Difference" N 72 4.604 -0.243 4.629 19288 38 1 7 "Average Difference" HA 81 0.553 0.023 0.556 19288 39 1 7 "Average Difference" C 72 2.634 0.025 2.652 19288 40 1 7 "Average Difference" CA 79 2.801 -0.004 2.819 19288 41 1 7 "Average Difference" CB 73 2.365 -0.386 2.349 19288 42 1 7 "Average Difference" HN 72 0.774 -0.146 0.766 19288 43 1 8 "Average Difference" N 72 4.498 0.177 4.526 19288 44 1 8 "Average Difference" HA 81 0.561 0.023 0.564 19288 45 1 8 "Average Difference" C 72 2.609 -0.021 2.627 19288 46 1 8 "Average Difference" CA 79 2.745 -0.045 2.762 19288 47 1 8 "Average Difference" CB 73 2.364 -0.473 2.332 19288 48 1 8 "Average Difference" HN 72 0.785 -0.194 0.766 19288 49 1 9 "Average Difference" N 72 4.719 -0.252 4.745 19288 50 1 9 "Average Difference" HA 81 0.563 0.014 0.566 19288 51 1 9 "Average Difference" C 72 2.660 0.010 2.679 19288 52 1 9 "Average Difference" CA 79 2.781 0.013 2.798 19288 53 1 9 "Average Difference" CB 73 2.393 -0.323 2.387 19288 54 1 9 "Average Difference" HN 72 0.792 -0.172 0.779 19288 55 1 10 "Average Difference" N 72 4.832 -0.198 4.861 19288 56 1 10 "Average Difference" HA 81 0.587 0.029 0.590 19288 57 1 10 "Average Difference" C 72 2.543 -0.055 2.560 19288 58 1 10 "Average Difference" CA 79 2.713 -0.001 2.730 19288 59 1 10 "Average Difference" CB 73 2.273 -0.395 2.254 19288 60 1 10 "Average Difference" HN 72 0.779 -0.148 0.770 19288 61 1 11 "Average Difference" N 72 4.471 0.010 4.502 19288 62 1 11 "Average Difference" HA 81 0.557 0.000 0.561 19288 63 1 11 "Average Difference" C 72 2.587 0.102 2.603 19288 64 1 11 "Average Difference" CA 79 2.681 0.117 2.695 19288 65 1 11 "Average Difference" CB 73 2.380 -0.488 2.345 19288 66 1 11 "Average Difference" HN 72 0.818 -0.185 0.802 19288 67 1 12 "Average Difference" N 72 4.683 -0.095 4.715 19288 68 1 12 "Average Difference" HA 81 0.558 0.010 0.562 19288 69 1 12 "Average Difference" C 72 2.619 0.056 2.637 19288 70 1 12 "Average Difference" CA 79 2.812 -0.002 2.830 19288 71 1 12 "Average Difference" CB 73 2.411 -0.359 2.401 19288 72 1 12 "Average Difference" HN 72 0.787 -0.186 0.770 19288 73 1 13 "Average Difference" N 72 4.501 -0.183 4.529 19288 74 1 13 "Average Difference" HA 81 0.562 0.017 0.565 19288 75 1 13 "Average Difference" C 72 2.629 -0.023 2.647 19288 76 1 13 "Average Difference" CA 79 2.665 0.084 2.681 19288 77 1 13 "Average Difference" CB 73 2.463 -0.344 2.455 19288 78 1 13 "Average Difference" HN 72 0.774 -0.161 0.763 19288 79 1 14 "Average Difference" N 72 4.744 -0.079 4.776 19288 80 1 14 "Average Difference" HA 81 0.570 0.000 0.573 19288 81 1 14 "Average Difference" C 72 2.583 -0.011 2.601 19288 82 1 14 "Average Difference" CA 79 2.757 -0.067 2.774 19288 83 1 14 "Average Difference" CB 73 2.398 -0.479 2.366 19288 84 1 14 "Average Difference" HN 72 0.834 -0.174 0.822 19288 85 1 15 "Average Difference" N 72 4.554 -0.172 4.582 19288 86 1 15 "Average Difference" HA 81 0.564 0.032 0.567 19288 87 1 15 "Average Difference" C 72 2.638 -0.019 2.657 19288 88 1 15 "Average Difference" CA 79 2.823 0.032 2.841 19288 89 1 15 "Average Difference" CB 73 2.410 -0.333 2.404 19288 90 1 15 "Average Difference" HN 72 0.780 -0.157 0.769 19288 91 1 16 "Average Difference" N 72 4.437 -0.498 4.439 19288 92 1 16 "Average Difference" HA 81 0.542 0.045 0.543 19288 93 1 16 "Average Difference" C 72 2.600 -0.104 2.616 19288 94 1 16 "Average Difference" CA 79 2.687 -0.032 2.704 19288 95 1 16 "Average Difference" CB 73 2.334 -0.346 2.324 19288 96 1 16 "Average Difference" HN 72 0.794 -0.187 0.777 19288 97 1 17 "Average Difference" N 72 4.680 -0.001 4.713 19288 98 1 17 "Average Difference" HA 81 0.560 0.040 0.562 19288 99 1 17 "Average Difference" C 72 2.673 -0.006 2.692 19288 100 1 17 "Average Difference" CA 79 2.816 -0.019 2.834 19288 101 1 17 "Average Difference" CB 73 2.354 -0.347 2.344 19288 102 1 17 "Average Difference" HN 72 0.759 -0.162 0.746 19288 103 1 18 "Average Difference" N 72 4.493 -0.040 4.524 19288 104 1 18 "Average Difference" HA 81 0.570 0.048 0.571 19288 105 1 18 "Average Difference" C 72 2.561 0.048 2.578 19288 106 1 18 "Average Difference" CA 79 2.731 0.083 2.747 19288 107 1 18 "Average Difference" CB 73 2.367 -0.333 2.359 19288 108 1 18 "Average Difference" HN 72 0.723 -0.123 0.718 19288 109 1 19 "Average Difference" N 72 4.579 -0.011 4.611 19288 110 1 19 "Average Difference" HA 81 0.579 0.049 0.580 19288 111 1 19 "Average Difference" C 72 2.598 0.028 2.616 19288 112 1 19 "Average Difference" CA 79 2.885 -0.046 2.903 19288 113 1 19 "Average Difference" CB 73 2.366 -0.391 2.349 19288 114 1 19 "Average Difference" HN 72 0.781 -0.149 0.772 19288 115 1 20 "Average Difference" N 72 4.598 -0.271 4.623 19288 116 1 20 "Average Difference" HA 81 0.549 0.031 0.551 19288 117 1 20 "Average Difference" C 72 2.617 0.014 2.636 19288 118 1 20 "Average Difference" CA 79 2.716 0.001 2.733 19288 119 1 20 "Average Difference" CB 73 2.462 -0.368 2.451 19288 120 1 20 "Average Difference" HN 72 0.836 -0.181 0.822 19288 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 19288 _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 10 10 HIS HA H 10 4.620 4.620 4.929 -0.309 19288 2 1 . 1 1 10 10 HIS CA C 10 56.302 56.302 54.828 1.474 19288 3 1 . 1 1 10 10 HIS CB C 10 30.312 30.312 31.807 -1.495 19288 4 1 . 1 1 11 11 MET N N 11 121.464 121.464 124.022 -2.558 19288 5 1 . 1 1 11 11 MET HA H 11 4.387 4.387 4.724 -0.337 19288 6 1 . 1 1 11 11 MET CA C 11 55.835 55.835 55.487 0.348 19288 7 1 . 1 1 11 11 MET CB C 11 32.794 32.794 34.260 -1.466 19288 8 1 . 1 1 11 11 MET H H 11 8.178 8.178 8.235 -0.056 19288 9 1 . 1 1 12 12 ARG N N 12 121.614 121.614 121.208 0.406 19288 10 1 . 1 1 12 12 ARG HA H 12 4.244 4.244 4.411 -0.167 19288 11 1 . 1 1 12 12 ARG CA C 12 55.802 55.802 57.082 -1.280 19288 12 1 . 1 1 12 12 ARG CB C 12 31.110 31.110 30.894 0.216 19288 13 1 . 1 1 12 12 ARG H H 12 8.209 8.209 8.589 -0.380 19288 14 1 . 1 1 13 13 ASP N N 13 119.634 119.634 118.725 0.909 19288 15 1 . 1 1 13 13 ASP HA H 13 4.667 4.667 4.676 -0.009 19288 16 1 . 1 1 13 13 ASP C C 13 175.723 175.723 173.933 1.790 19288 17 1 . 1 1 13 13 ASP CA C 13 54.112 54.112 53.666 0.446 19288 18 1 . 1 1 13 13 ASP CB C 13 42.459 42.459 42.334 0.125 19288 19 1 . 1 1 13 13 ASP H H 13 7.858 7.858 7.578 0.280 19288 20 1 . 1 1 14 14 TYR N N 14 120.932 120.932 119.558 1.374 19288 21 1 . 1 1 14 14 TYR HA H 14 4.534 4.534 4.787 -0.253 19288 22 1 . 1 1 14 14 TYR C C 14 174.767 174.767 176.107 -1.340 19288 23 1 . 1 1 14 14 TYR CA C 14 57.521 57.521 57.519 0.002 19288 24 1 . 1 1 14 14 TYR CB C 14 38.608 38.608 42.351 -3.743 19288 25 1 . 1 1 14 14 TYR H H 14 8.676 8.676 8.533 0.143 19288 26 1 . 1 1 15 15 ILE N N 15 124.585 124.585 122.064 2.521 19288 27 1 . 1 1 15 15 ILE HA H 15 4.714 4.714 4.354 0.360 19288 28 1 . 1 1 15 15 ILE C C 15 175.178 175.178 175.166 0.012 19288 29 1 . 1 1 15 15 ILE CA C 15 59.647 59.647 61.807 -2.160 19288 30 1 . 1 1 15 15 ILE CB C 15 39.969 39.969 38.657 1.312 19288 31 1 . 1 1 15 15 ILE H H 15 8.479 8.479 8.691 -0.212 19288 32 1 . 1 1 16 16 CYS N N 16 129.411 129.411 115.957 13.454 19288 33 1 . 1 1 16 16 CYS HA H 16 4.334 4.334 4.656 -0.322 19288 34 1 . 1 1 16 16 CYS C C 16 174.675 174.675 175.077 -0.402 19288 35 1 . 1 1 16 16 CYS CA C 16 61.303 61.303 57.627 3.676 19288 36 1 . 1 1 16 16 CYS CB C 16 30.233 30.233 30.379 -0.146 19288 37 1 . 1 1 16 16 CYS H H 16 9.141 9.141 7.737 1.405 19288 38 1 . 1 1 17 17 GLU N N 17 133.830 133.830 125.546 8.284 19288 39 1 . 1 1 17 17 GLU HA H 17 4.200 4.200 3.514 0.686 19288 40 1 . 1 1 17 17 GLU C C 17 175.826 175.826 177.993 -2.167 19288 41 1 . 1 1 17 17 GLU CA C 17 58.616 58.616 58.938 -0.322 19288 42 1 . 1 1 17 17 GLU CB C 17 28.133 28.133 29.267 -1.134 19288 43 1 . 1 1 17 17 GLU H H 17 10.744 10.744 8.723 2.021 19288 44 1 . 1 1 18 18 TYR N N 18 121.850 121.850 121.806 0.044 19288 45 1 . 1 1 18 18 TYR HA H 18 4.316 4.316 4.297 0.019 19288 46 1 . 1 1 18 18 TYR C C 18 176.782 176.782 177.905 -1.123 19288 47 1 . 1 1 18 18 TYR CA C 18 60.371 60.371 61.484 -1.113 19288 48 1 . 1 1 18 18 TYR CB C 18 37.374 37.374 38.295 -0.921 19288 49 1 . 1 1 18 18 TYR H H 18 9.190 9.190 8.103 1.087 19288 50 1 . 1 1 19 19 CYS N N 19 116.138 116.138 118.526 -2.388 19288 51 1 . 1 1 19 19 CYS HA H 19 5.111 5.111 4.242 0.869 19288 52 1 . 1 1 19 19 CYS C C 19 176.019 176.019 176.955 -0.936 19288 53 1 . 1 1 19 19 CYS CA C 19 58.721 58.721 61.750 -3.029 19288 54 1 . 1 1 19 19 CYS CB C 19 32.573 32.573 27.589 4.984 19288 55 1 . 1 1 19 19 CYS H H 19 7.999 7.999 7.982 0.017 19288 56 1 . 1 1 20 20 ALA N N 20 122.058 122.058 122.309 -0.251 19288 57 1 . 1 1 20 20 ALA HA H 20 4.140 4.140 3.445 0.695 19288 58 1 . 1 1 20 20 ALA C C 20 177.014 177.014 178.327 -1.313 19288 59 1 . 1 1 20 20 ALA CA C 20 54.584 54.584 54.758 -0.174 19288 60 1 . 1 1 20 20 ALA CB C 20 17.127 17.127 18.521 -1.394 19288 61 1 . 1 1 20 20 ALA H H 20 8.067 8.067 7.416 0.651 19288 62 1 . 1 1 21 21 ARG N N 21 121.286 121.286 119.494 1.792 19288 63 1 . 1 1 21 21 ARG HA H 21 4.003 4.003 4.000 0.003 19288 64 1 . 1 1 21 21 ARG C C 21 175.133 175.133 178.434 -3.301 19288 65 1 . 1 1 21 21 ARG CA C 21 58.236 58.236 59.136 -0.900 19288 66 1 . 1 1 21 21 ARG CB C 21 31.677 31.677 29.365 2.312 19288 67 1 . 1 1 21 21 ARG H H 21 7.947 7.947 7.844 0.103 19288 68 1 . 1 1 22 22 ALA N N 22 123.966 123.966 120.733 3.233 19288 69 1 . 1 1 22 22 ALA HA H 22 5.008 5.008 3.779 1.229 19288 70 1 . 1 1 22 22 ALA C C 22 175.750 175.750 179.246 -3.496 19288 71 1 . 1 1 22 22 ALA CA C 22 50.811 50.811 56.266 -5.455 19288 72 1 . 1 1 22 22 ALA CB C 22 21.928 21.928 18.519 3.409 19288 73 1 . 1 1 22 22 ALA H H 22 7.968 7.968 7.650 0.318 19288 74 1 . 1 1 23 23 PHE N N 23 118.728 118.728 120.168 -1.440 19288 75 1 . 1 1 23 23 PHE HA H 23 4.678 4.678 4.195 0.483 19288 76 1 . 1 1 23 23 PHE C C 23 173.852 173.852 177.877 -4.025 19288 77 1 . 1 1 23 23 PHE CA C 23 57.367 57.367 61.685 -4.318 19288 78 1 . 1 1 23 23 PHE CB C 23 43.458 43.458 39.264 4.194 19288 79 1 . 1 1 23 23 PHE H H 23 9.004 9.004 7.760 1.244 19288 80 1 . 1 1 24 24 LYS N N 24 119.176 119.176 116.930 2.246 19288 81 1 . 1 1 24 24 LYS HA H 24 4.709 4.709 4.245 0.464 19288 82 1 . 1 1 24 24 LYS C C 24 176.934 176.934 178.282 -1.348 19288 83 1 . 1 1 24 24 LYS CA C 24 56.482 56.482 58.344 -1.862 19288 84 1 . 1 1 24 24 LYS CB C 24 33.111 33.111 32.071 1.040 19288 85 1 . 1 1 24 24 LYS H H 24 9.211 9.211 8.290 0.921 19288 86 1 . 1 1 25 25 SER N N 25 110.950 110.950 116.065 -5.115 19288 87 1 . 1 1 25 25 SER HA H 25 4.566 4.566 4.300 0.266 19288 88 1 . 1 1 25 25 SER C C 25 175.671 175.671 175.476 0.195 19288 89 1 . 1 1 25 25 SER CA C 25 55.683 55.683 60.387 -4.704 19288 90 1 . 1 1 25 25 SER CB C 25 66.490 66.490 63.517 2.974 19288 91 1 . 1 1 25 25 SER H H 25 7.474 7.474 7.453 0.021 19288 92 1 . 1 1 26 26 SER N N 26 119.411 119.411 112.635 6.776 19288 93 1 . 1 1 26 26 SER C C 26 176.269 176.269 176.019 0.250 19288 94 1 . 1 1 26 26 SER CA C 26 60.616 60.616 59.881 0.735 19288 95 1 . 1 1 26 26 SER CB C 26 61.758 61.758 61.270 0.488 19288 96 1 . 1 1 26 26 SER H H 26 8.487 8.487 7.506 0.981 19288 97 1 . 1 1 27 27 HIS HA H 27 4.258 4.258 4.433 -0.175 19288 98 1 . 1 1 27 27 HIS C C 27 173.658 173.658 176.441 -2.784 19288 99 1 . 1 1 27 27 HIS CA C 27 59.581 59.581 57.438 2.143 19288 100 1 . 1 1 27 27 HIS CB C 27 29.913 29.913 29.310 0.603 19288 101 1 . 1 1 28 28 ASN N N 28 117.126 117.126 115.220 1.906 19288 102 1 . 1 1 28 28 ASN HA H 28 4.216 4.216 4.660 -0.444 19288 103 1 . 1 1 28 28 ASN CA C 28 55.547 55.547 53.384 2.163 19288 104 1 . 1 1 28 28 ASN CB C 28 37.634 37.634 37.634 -0.001 19288 105 1 . 1 1 28 28 ASN H H 28 7.681 7.681 7.593 0.088 19288 106 1 . 1 1 29 29 LEU N N 29 121.121 121.121 123.191 -2.070 19288 107 1 . 1 1 29 29 LEU HA H 29 3.177 3.177 4.042 -0.865 19288 108 1 . 1 1 29 29 LEU C C 29 176.205 176.205 176.632 -0.427 19288 109 1 . 1 1 29 29 LEU CA C 29 57.893 57.893 54.882 3.011 19288 110 1 . 1 1 29 29 LEU H H 29 7.300 7.300 7.778 -0.478 19288 111 1 . 1 1 30 30 ALA N N 30 122.058 122.058 122.632 -0.574 19288 112 1 . 1 1 30 30 ALA HA H 30 3.917 3.917 4.229 -0.312 19288 113 1 . 1 1 30 30 ALA C C 30 178.363 178.363 177.007 1.356 19288 114 1 . 1 1 30 30 ALA CA C 30 55.487 55.487 52.094 3.393 19288 115 1 . 1 1 30 30 ALA CB C 30 17.947 17.947 18.627 -0.680 19288 116 1 . 1 1 30 30 ALA H H 30 7.987 7.987 7.974 0.013 19288 117 1 . 1 1 31 31 VAL N N 31 116.442 116.442 118.967 -2.525 19288 118 1 . 1 1 31 31 VAL HA H 31 3.556 3.556 4.265 -0.709 19288 119 1 . 1 1 31 31 VAL C C 31 176.352 176.352 174.393 1.959 19288 120 1 . 1 1 31 31 VAL CA C 31 65.936 65.936 60.482 5.454 19288 121 1 . 1 1 31 31 VAL CB C 31 32.281 32.281 31.286 0.994 19288 122 1 . 1 1 31 31 VAL H H 31 7.636 7.636 7.536 0.100 19288 123 1 . 1 1 32 32 HIS HA H 32 4.125 4.125 4.452 -0.327 19288 124 1 . 1 1 32 32 HIS C C 32 180.696 180.696 174.607 6.089 19288 125 1 . 1 1 32 32 HIS CA C 32 59.377 59.377 56.781 2.597 19288 126 1 . 1 1 32 32 HIS CB C 32 28.332 28.332 30.234 -1.901 19288 127 1 . 1 1 33 33 ARG N N 33 115.795 115.795 118.967 -3.172 19288 128 1 . 1 1 33 33 ARG HA H 33 3.658 3.658 4.605 -0.947 19288 129 1 . 1 1 33 33 ARG C C 33 178.735 178.735 174.604 4.131 19288 130 1 . 1 1 33 33 ARG CA C 33 60.012 60.012 55.854 4.158 19288 131 1 . 1 1 33 33 ARG CB C 33 31.144 31.144 31.425 -0.281 19288 132 1 . 1 1 33 33 ARG H H 33 8.633 8.633 7.987 0.646 19288 133 1 . 1 1 34 34 MET N N 34 115.672 115.672 121.613 -5.941 19288 134 1 . 1 1 34 34 MET HA H 34 4.211 4.211 5.102 -0.891 19288 135 1 . 1 1 34 34 MET C C 34 176.427 176.427 175.317 1.110 19288 136 1 . 1 1 34 34 MET CA C 34 57.866 57.866 53.916 3.950 19288 137 1 . 1 1 34 34 MET CB C 34 32.221 32.221 35.775 -3.555 19288 138 1 . 1 1 34 34 MET H H 34 7.057 7.057 8.307 -1.250 19288 139 1 . 1 1 35 35 ILE N N 35 116.381 116.381 128.016 -11.634 19288 140 1 . 1 1 35 35 ILE HA H 35 3.904 3.904 4.270 -0.366 19288 141 1 . 1 1 35 35 ILE C C 35 177.504 177.504 175.334 2.170 19288 142 1 . 1 1 35 35 ILE CA C 35 63.402 63.402 61.226 2.176 19288 143 1 . 1 1 35 35 ILE CB C 35 37.724 37.724 37.788 -0.064 19288 144 1 . 1 1 35 35 ILE H H 35 7.811 7.811 8.896 -1.085 19288 145 1 . 1 1 36 36 HIS N N 36 117.423 117.423 127.847 -10.424 19288 146 1 . 1 1 36 36 HIS HA H 36 4.481 4.481 4.736 -0.255 19288 147 1 . 1 1 36 36 HIS C C 36 178.413 178.413 173.693 4.720 19288 148 1 . 1 1 36 36 HIS CA C 36 55.260 55.260 55.944 -0.684 19288 149 1 . 1 1 36 36 HIS CB C 36 28.066 28.066 29.164 -1.098 19288 150 1 . 1 1 36 36 HIS H H 36 7.247 7.247 8.725 -1.478 19288 151 1 . 1 1 37 37 THR N N 37 110.804 110.804 116.757 -5.953 19288 152 1 . 1 1 37 37 THR HA H 37 4.160 4.160 4.372 -0.212 19288 153 1 . 1 1 37 37 THR C C 37 177.179 177.179 174.150 3.029 19288 154 1 . 1 1 37 37 THR CA C 37 62.791 62.791 62.772 0.019 19288 155 1 . 1 1 37 37 THR CB C 37 69.712 69.712 71.366 -1.654 19288 156 1 . 1 1 37 37 THR H H 37 7.553 7.553 7.925 -0.372 19288 157 1 . 1 1 38 38 GLY N N 38 110.842 110.842 109.569 1.273 19288 158 1 . 1 1 38 38 GLY C C 38 175.821 175.821 175.120 0.701 19288 159 1 . 1 1 38 38 GLY CA C 38 45.403 45.403 43.000 2.403 19288 160 1 . 1 1 38 38 GLY H H 38 8.195 8.195 7.854 0.341 19288 161 1 . 1 1 39 39 GLU N N 39 120.441 120.441 123.620 -3.179 19288 162 1 . 1 1 39 39 GLU HA H 39 4.238 4.238 4.474 -0.236 19288 163 1 . 1 1 39 39 GLU C C 39 175.390 175.390 174.926 0.464 19288 164 1 . 1 1 39 39 GLU CA C 39 56.572 56.572 57.263 -0.691 19288 165 1 . 1 1 39 39 GLU H H 39 7.953 7.953 8.698 -0.745 19288 166 1 . 1 1 40 40 LYS N N 40 123.624 123.624 126.754 -3.130 19288 167 1 . 1 1 40 40 LYS HA H 40 4.534 4.534 4.556 -0.022 19288 168 1 . 1 1 40 40 LYS C C 40 174.124 174.124 174.249 -0.125 19288 169 1 . 1 1 40 40 LYS CA C 40 54.236 54.236 55.328 -1.091 19288 170 1 . 1 1 40 40 LYS CB C 40 32.769 32.769 35.555 -2.786 19288 171 1 . 1 1 40 40 LYS H H 40 8.321 8.321 8.235 0.086 19288 172 1 . 1 1 41 41 PRO HA H 41 4.404 4.404 5.021 -0.617 19288 173 1 . 1 1 41 41 PRO C C 41 176.103 176.103 175.743 0.360 19288 174 1 . 1 1 41 41 PRO CA C 41 63.174 63.174 62.289 0.885 19288 175 1 . 1 1 41 41 PRO CB C 41 32.306 32.306 32.898 -0.592 19288 176 1 . 1 1 42 42 LEU N N 42 122.177 122.177 126.671 -4.494 19288 177 1 . 1 1 42 42 LEU HA H 42 4.381 4.381 4.542 -0.161 19288 178 1 . 1 1 42 42 LEU CA C 42 54.626 54.626 52.554 2.072 19288 179 1 . 1 1 42 42 LEU CB C 42 42.719 42.719 44.917 -2.198 19288 180 1 . 1 1 42 42 LEU H H 42 8.293 8.293 8.536 -0.243 19288 181 1 . 1 1 43 43 GLN N N 43 119.188 119.188 120.068 -0.880 19288 182 1 . 1 1 43 43 GLN HA H 43 5.181 5.181 4.297 0.884 19288 183 1 . 1 1 43 43 GLN C C 43 176.325 176.325 175.264 1.061 19288 184 1 . 1 1 43 43 GLN CA C 43 53.898 53.898 56.256 -2.358 19288 185 1 . 1 1 43 43 GLN CB C 43 32.969 32.969 28.971 3.998 19288 186 1 . 1 1 43 43 GLN H H 43 8.180 8.180 8.577 -0.397 19288 187 1 . 1 1 44 44 CYS N N 44 127.346 127.346 119.357 7.989 19288 188 1 . 1 1 44 44 CYS HA H 44 4.453 4.453 4.679 -0.226 19288 189 1 . 1 1 44 44 CYS C C 44 175.677 175.677 175.006 0.671 19288 190 1 . 1 1 44 44 CYS CA C 44 59.437 59.437 57.901 1.536 19288 191 1 . 1 1 44 44 CYS CB C 44 30.721 30.721 28.942 1.779 19288 192 1 . 1 1 44 44 CYS H H 44 9.299 9.299 7.624 1.675 19288 193 1 . 1 1 45 45 GLU N N 45 131.846 131.846 124.932 6.914 19288 194 1 . 1 1 45 45 GLU HA H 45 4.178 4.178 4.026 0.152 19288 195 1 . 1 1 45 45 GLU C C 45 174.655 174.655 177.922 -3.267 19288 196 1 . 1 1 45 45 GLU CA C 45 58.342 58.342 59.517 -1.175 19288 197 1 . 1 1 45 45 GLU CB C 45 29.819 29.819 29.143 0.676 19288 198 1 . 1 1 45 45 GLU H H 45 9.602 9.602 9.076 0.526 19288 199 1 . 1 1 46 46 ILE N N 46 121.898 121.898 119.373 2.525 19288 200 1 . 1 1 46 46 ILE HA H 46 3.840 3.840 4.049 -0.209 19288 201 1 . 1 1 46 46 ILE C C 46 177.404 177.404 178.299 -0.895 19288 202 1 . 1 1 46 46 ILE CA C 46 63.494 63.494 64.165 -0.671 19288 203 1 . 1 1 46 46 ILE CB C 46 38.461 38.461 36.893 1.568 19288 204 1 . 1 1 46 46 ILE H H 46 8.973 8.973 8.576 0.397 19288 205 1 . 1 1 47 47 CYS N N 47 117.274 117.274 118.070 -0.796 19288 206 1 . 1 1 47 47 CYS HA H 47 5.231 5.231 4.371 0.860 19288 207 1 . 1 1 47 47 CYS C C 47 176.087 176.087 176.933 -0.846 19288 208 1 . 1 1 47 47 CYS CA C 47 58.455 58.455 62.121 -3.666 19288 209 1 . 1 1 47 47 CYS CB C 47 33.590 33.590 27.679 5.911 19288 210 1 . 1 1 47 47 CYS H H 47 8.432 8.432 7.650 0.782 19288 211 1 . 1 1 48 48 GLY N N 48 112.655 112.655 109.870 2.785 19288 212 1 . 1 1 48 48 GLY C C 48 177.177 177.177 176.867 0.310 19288 213 1 . 1 1 48 48 GLY CA C 48 46.253 46.253 48.133 -1.880 19288 214 1 . 1 1 48 48 GLY H H 48 8.016 8.016 7.667 0.349 19288 215 1 . 1 1 49 49 PHE N N 49 125.000 125.000 119.810 5.190 19288 216 1 . 1 1 49 49 PHE HA H 49 4.272 4.272 4.174 0.098 19288 217 1 . 1 1 49 49 PHE C C 49 176.313 176.313 177.965 -1.652 19288 218 1 . 1 1 49 49 PHE CA C 49 59.750 59.750 61.487 -1.737 19288 219 1 . 1 1 49 49 PHE CB C 49 41.278 41.278 38.628 2.650 19288 220 1 . 1 1 49 49 PHE H H 49 8.333 8.333 8.482 -0.149 19288 221 1 . 1 1 50 50 THR N N 50 118.297 118.297 112.242 6.055 19288 222 1 . 1 1 50 50 THR HA H 50 5.150 5.150 4.222 0.928 19288 223 1 . 1 1 50 50 THR C C 50 173.480 173.480 176.568 -3.088 19288 224 1 . 1 1 50 50 THR CA C 50 59.186 59.186 64.807 -5.621 19288 225 1 . 1 1 50 50 THR CB C 50 71.954 71.954 68.678 3.276 19288 226 1 . 1 1 50 50 THR H H 50 7.336 7.336 7.696 -0.360 19288 227 1 . 1 1 51 51 CYS N N 51 115.101 115.101 120.225 -5.124 19288 228 1 . 1 1 51 51 CYS HA H 51 4.540 4.540 3.943 0.598 19288 229 1 . 1 1 51 51 CYS C C 51 173.381 173.381 177.175 -3.794 19288 230 1 . 1 1 51 51 CYS CA C 51 56.305 56.305 62.754 -6.449 19288 231 1 . 1 1 51 51 CYS CB C 51 30.578 30.578 28.115 2.463 19288 232 1 . 1 1 51 51 CYS H H 51 8.318 8.318 7.915 0.403 19288 233 1 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.227 0.339 19288 234 1 . 1 1 52 52 ARG C C 52 172.494 172.494 177.697 -5.203 19288 235 1 . 1 1 52 52 ARG CA C 52 56.923 56.923 59.427 -2.504 19288 236 1 . 1 1 52 52 ARG CB C 52 31.891 31.891 30.297 1.594 19288 237 1 . 1 1 53 53 GLN N N 53 115.534 115.534 118.761 -3.227 19288 238 1 . 1 1 53 53 GLN HA H 53 4.719 4.719 4.005 0.714 19288 239 1 . 1 1 53 53 GLN CA C 53 54.637 54.637 58.579 -3.942 19288 240 1 . 1 1 53 53 GLN CB C 53 30.904 30.904 28.145 2.759 19288 241 1 . 1 1 53 53 GLN H H 53 7.649 7.649 7.822 -0.173 19288 242 1 . 1 1 54 54 LYS N N 54 127.065 127.065 117.434 9.631 19288 243 1 . 1 1 54 54 LYS HA H 54 3.771 3.771 4.017 -0.246 19288 244 1 . 1 1 54 54 LYS C C 54 176.035 176.035 178.495 -2.460 19288 245 1 . 1 1 54 54 LYS CA C 54 59.833 59.833 58.357 1.476 19288 246 1 . 1 1 54 54 LYS CB C 54 32.087 32.087 31.921 0.166 19288 247 1 . 1 1 54 54 LYS H H 54 9.132 9.132 7.492 1.640 19288 248 1 . 1 1 55 55 ALA N N 55 120.230 120.230 120.368 -0.138 19288 249 1 . 1 1 55 55 ALA HA H 55 4.135 4.135 4.397 -0.262 19288 250 1 . 1 1 55 55 ALA C C 55 176.728 176.728 178.957 -2.229 19288 251 1 . 1 1 55 55 ALA CA C 55 55.456 55.456 53.441 2.015 19288 252 1 . 1 1 55 55 ALA CB C 55 18.224 18.224 18.649 -0.425 19288 253 1 . 1 1 55 55 ALA H H 55 9.016 9.016 7.181 1.835 19288 254 1 . 1 1 56 56 SER N N 56 112.225 112.225 115.729 -3.504 19288 255 1 . 1 1 56 56 SER HA H 56 4.509 4.509 4.293 0.216 19288 256 1 . 1 1 56 56 SER C C 56 178.309 178.309 175.574 2.735 19288 257 1 . 1 1 56 56 SER CA C 56 61.172 61.172 60.667 0.505 19288 258 1 . 1 1 56 56 SER CB C 56 62.925 62.925 63.229 -0.304 19288 259 1 . 1 1 56 56 SER H H 56 7.097 7.097 7.781 -0.684 19288 260 1 . 1 1 57 57 LEU N N 57 126.317 126.317 118.965 7.352 19288 261 1 . 1 1 57 57 LEU HA H 57 4.327 4.327 4.275 0.052 19288 262 1 . 1 1 57 57 LEU C C 57 180.642 180.642 177.124 3.518 19288 263 1 . 1 1 57 57 LEU CA C 57 58.038 58.038 56.153 1.885 19288 264 1 . 1 1 57 57 LEU CB C 57 41.443 41.443 42.056 -0.613 19288 265 1 . 1 1 57 57 LEU H H 57 7.667 7.667 7.724 -0.057 19288 266 1 . 1 1 58 58 ASN N N 58 118.325 118.325 115.569 2.756 19288 267 1 . 1 1 58 58 ASN HA H 58 4.364 4.364 4.780 -0.416 19288 268 1 . 1 1 58 58 ASN C C 58 176.770 176.770 176.190 0.581 19288 269 1 . 1 1 58 58 ASN CA C 58 56.457 56.457 53.795 2.662 19288 270 1 . 1 1 58 58 ASN CB C 58 37.852 37.852 38.102 -0.250 19288 271 1 . 1 1 58 58 ASN H H 58 8.533 8.533 8.031 0.502 19288 272 1 . 1 1 59 59 TRP N N 59 119.802 119.802 122.194 -2.392 19288 273 1 . 1 1 59 59 TRP HA H 59 4.349 4.349 4.361 -0.012 19288 274 1 . 1 1 59 59 TRP C C 59 178.160 178.160 177.140 1.020 19288 275 1 . 1 1 59 59 TRP CA C 59 60.432 60.432 59.640 0.792 19288 276 1 . 1 1 59 59 TRP CB C 59 29.304 29.304 29.260 0.044 19288 277 1 . 1 1 59 59 TRP H H 59 7.914 7.914 8.122 -0.208 19288 278 1 . 1 1 60 60 HIS N N 60 119.175 119.175 117.891 1.284 19288 279 1 . 1 1 60 60 HIS HA H 60 3.675 3.675 4.398 -0.722 19288 280 1 . 1 1 60 60 HIS C C 60 174.721 174.721 175.355 -0.634 19288 281 1 . 1 1 60 60 HIS CA C 60 60.038 60.038 56.979 3.059 19288 282 1 . 1 1 60 60 HIS CB C 60 28.143 28.143 29.785 -1.642 19288 283 1 . 1 1 60 60 HIS H H 60 8.131 8.131 7.905 0.226 19288 284 1 . 1 1 61 61 MET N N 61 114.602 114.602 116.685 -2.083 19288 285 1 . 1 1 61 61 MET HA H 61 4.127 4.127 4.388 -0.261 19288 286 1 . 1 1 61 61 MET C C 61 178.337 178.337 176.477 1.860 19288 287 1 . 1 1 61 61 MET CA C 61 57.177 57.177 55.469 1.708 19288 288 1 . 1 1 61 61 MET CB C 61 30.085 30.085 31.879 -1.794 19288 289 1 . 1 1 61 61 MET H H 61 8.448 8.448 7.819 0.629 19288 290 1 . 1 1 62 62 LYS N N 62 118.858 118.858 119.227 -0.369 19288 291 1 . 1 1 62 62 LYS HA H 62 3.998 3.998 3.892 0.106 19288 292 1 . 1 1 62 62 LYS C C 62 176.716 176.716 176.190 0.526 19288 293 1 . 1 1 62 62 LYS CA C 62 58.512 58.512 58.032 0.479 19288 294 1 . 1 1 62 62 LYS CB C 62 31.694 31.694 33.271 -1.576 19288 295 1 . 1 1 62 62 LYS H H 62 7.285 7.285 7.895 -0.610 19288 296 1 . 1 1 63 63 LYS N N 63 117.683 117.683 117.444 0.239 19288 297 1 . 1 1 63 63 LYS HA H 63 3.793 3.793 4.493 -0.700 19288 298 1 . 1 1 63 63 LYS C C 63 179.150 179.150 174.844 4.306 19288 299 1 . 1 1 63 63 LYS CA C 63 57.827 57.827 55.210 2.617 19288 300 1 . 1 1 63 63 LYS CB C 63 31.272 31.272 35.743 -4.471 19288 301 1 . 1 1 63 63 LYS H H 63 7.516 7.516 7.811 -0.295 19288 302 1 . 1 1 64 64 HIS N N 64 115.200 115.200 120.219 -5.018 19288 303 1 . 1 1 64 64 HIS HA H 64 4.708 4.708 4.773 -0.065 19288 304 1 . 1 1 64 64 HIS C C 64 178.727 178.727 173.233 5.494 19288 305 1 . 1 1 64 64 HIS CA C 64 55.628 55.628 54.949 0.679 19288 306 1 . 1 1 64 64 HIS CB C 64 28.782 28.782 32.443 -3.661 19288 307 1 . 1 1 64 64 HIS H H 64 7.155 7.155 8.481 -1.326 19288 308 1 . 1 1 65 65 ASP N N 65 120.441 120.441 123.146 -2.705 19288 309 1 . 1 1 65 65 ASP HA H 65 4.503 4.503 4.939 -0.436 19288 310 1 . 1 1 65 65 ASP C C 65 177.648 177.648 176.701 0.947 19288 311 1 . 1 1 65 65 ASP CA C 65 55.296 55.296 53.164 2.132 19288 312 1 . 1 1 65 65 ASP CB C 65 41.122 41.122 42.410 -1.288 19288 313 1 . 1 1 65 65 ASP H H 65 7.653 7.653 8.650 -0.997 19288 314 1 . 1 1 66 66 ALA N N 66 123.184 123.184 129.801 -6.617 19288 315 1 . 1 1 66 66 ALA HA H 66 4.141 4.141 4.144 -0.003 19288 316 1 . 1 1 66 66 ALA C C 66 175.172 175.172 178.652 -3.480 19288 317 1 . 1 1 66 66 ALA CA C 66 53.693 53.693 54.626 -0.933 19288 318 1 . 1 1 66 66 ALA CB C 66 19.049 19.049 18.939 0.110 19288 319 1 . 1 1 66 66 ALA H H 66 8.088 8.088 8.661 -0.573 19288 320 1 . 1 1 67 67 ASP N N 67 117.608 117.608 119.230 -1.622 19288 321 1 . 1 1 67 67 ASP HA H 67 4.175 4.175 4.491 -0.316 19288 322 1 . 1 1 67 67 ASP C C 67 176.687 176.687 176.456 0.231 19288 323 1 . 1 1 67 67 ASP CA C 67 54.842 54.842 55.176 -0.334 19288 324 1 . 1 1 67 67 ASP CB C 67 40.957 40.957 41.378 -0.421 19288 325 1 . 1 1 67 67 ASP H H 67 7.999 7.999 8.256 -0.257 19288 326 1 . 1 1 68 68 SER N N 68 114.794 114.794 113.148 1.646 19288 327 1 . 1 1 68 68 SER HA H 68 4.145 4.145 4.797 -0.652 19288 328 1 . 1 1 68 68 SER C C 68 178.056 178.056 174.542 3.514 19288 329 1 . 1 1 68 68 SER CA C 68 59.397 59.397 56.229 3.168 19288 330 1 . 1 1 68 68 SER CB C 68 63.682 63.682 64.544 -0.862 19288 331 1 . 1 1 68 68 SER H H 68 7.797 7.797 7.887 -0.090 19288 332 1 . 1 1 69 69 PHE N N 69 120.277 120.277 122.069 -1.792 19288 333 1 . 1 1 69 69 PHE HA H 69 4.474 4.474 4.551 -0.077 19288 334 1 . 1 1 69 69 PHE C C 69 176.959 176.959 174.844 2.115 19288 335 1 . 1 1 69 69 PHE CA C 69 58.048 58.048 57.928 0.120 19288 336 1 . 1 1 69 69 PHE H H 69 7.850 7.850 8.517 -0.667 19288 337 1 . 1 1 70 70 TYR N N 70 121.023 121.023 121.208 -0.185 19288 338 1 . 1 1 70 70 TYR HA H 70 4.494 4.494 3.997 0.497 19288 339 1 . 1 1 70 70 TYR C C 70 174.330 174.330 175.097 -0.767 19288 340 1 . 1 1 70 70 TYR CA C 70 56.491 56.491 57.623 -1.132 19288 341 1 . 1 1 70 70 TYR CB C 70 37.727 37.727 39.079 -1.352 19288 342 1 . 1 1 70 70 TYR H H 70 7.818 7.818 8.002 -0.184 19288 343 1 . 1 1 71 71 GLN N N 71 119.046 119.046 118.089 0.957 19288 344 1 . 1 1 71 71 GLN HA H 71 4.085 4.085 4.060 0.025 19288 345 1 . 1 1 71 71 GLN C C 71 175.830 175.830 174.217 1.613 19288 346 1 . 1 1 71 71 GLN CA C 71 56.485 56.485 56.361 0.124 19288 347 1 . 1 1 71 71 GLN CB C 71 30.291 30.291 25.937 4.354 19288 348 1 . 1 1 71 71 GLN H H 71 8.352 8.352 7.909 0.443 19288 349 1 . 1 1 72 72 PHE N N 72 117.779 117.779 118.749 -0.970 19288 350 1 . 1 1 72 72 PHE HA H 72 4.850 4.850 4.696 0.154 19288 351 1 . 1 1 72 72 PHE C C 72 176.323 176.323 175.987 0.336 19288 352 1 . 1 1 72 72 PHE CA C 72 57.157 57.157 56.003 1.154 19288 353 1 . 1 1 72 72 PHE CB C 72 41.106 41.106 41.901 -0.795 19288 354 1 . 1 1 72 72 PHE H H 72 7.901 7.901 7.708 0.193 19288 355 1 . 1 1 73 73 SER N N 73 114.707 114.707 117.098 -2.391 19288 356 1 . 1 1 73 73 SER HA H 73 5.469 5.469 4.350 1.119 19288 357 1 . 1 1 73 73 SER C C 73 175.151 175.151 174.114 1.037 19288 358 1 . 1 1 73 73 SER CA C 73 57.026 57.026 59.722 -2.696 19288 359 1 . 1 1 73 73 SER CB C 73 65.963 65.963 63.687 2.276 19288 360 1 . 1 1 73 73 SER H H 73 8.744 8.744 8.820 -0.076 19288 361 1 . 1 1 74 74 CYS N N 74 124.143 124.143 116.312 7.831 19288 362 1 . 1 1 74 74 CYS HA H 74 4.391 4.391 4.709 -0.318 19288 363 1 . 1 1 74 74 CYS C C 74 174.848 174.848 175.045 -0.197 19288 364 1 . 1 1 74 74 CYS CA C 74 59.743 59.743 57.696 2.047 19288 365 1 . 1 1 74 74 CYS CB C 74 30.581 30.581 29.618 0.963 19288 366 1 . 1 1 74 74 CYS H H 74 9.154 9.154 7.680 1.474 19288 367 1 . 1 1 75 75 ASN HA H 75 4.501 4.501 4.155 0.346 19288 368 1 . 1 1 75 75 ASN C C 75 173.664 173.664 176.948 -3.284 19288 369 1 . 1 1 75 75 ASN CA C 75 55.316 55.316 55.998 -0.682 19288 370 1 . 1 1 75 75 ASN CB C 75 36.774 36.774 37.969 -1.195 19288 371 1 . 1 1 76 76 ILE N N 76 123.143 123.143 119.152 3.991 19288 372 1 . 1 1 76 76 ILE HA H 76 3.908 3.908 3.894 0.014 19288 373 1 . 1 1 76 76 ILE CA C 76 63.223 63.223 64.658 -1.435 19288 374 1 . 1 1 76 76 ILE CB C 76 38.269 38.269 37.591 0.677 19288 375 1 . 1 1 76 76 ILE H H 76 8.921 8.921 8.325 0.596 19288 376 1 . 1 1 77 77 CYS N N 77 116.298 116.298 118.448 -2.150 19288 377 1 . 1 1 77 77 CYS HA H 77 5.159 5.159 3.951 1.208 19288 378 1 . 1 1 77 77 CYS C C 77 174.401 174.401 176.557 -2.156 19288 379 1 . 1 1 77 77 CYS CA C 77 58.394 58.394 61.608 -3.214 19288 380 1 . 1 1 77 77 CYS CB C 77 32.743 32.743 27.068 5.675 19288 381 1 . 1 1 77 77 CYS H H 77 8.243 8.243 7.513 0.730 19288 382 1 . 1 1 78 78 GLY N N 78 113.607 113.607 111.083 2.524 19288 383 1 . 1 1 78 78 GLY C C 78 176.862 176.862 176.207 0.655 19288 384 1 . 1 1 78 78 GLY CA C 78 46.321 46.321 48.845 -2.524 19288 385 1 . 1 1 78 78 GLY H H 78 8.060 8.060 7.215 0.845 19288 386 1 . 1 1 79 79 LYS N N 79 123.134 123.134 120.334 2.800 19288 387 1 . 1 1 79 79 LYS HA H 79 3.950 3.950 3.794 0.156 19288 388 1 . 1 1 79 79 LYS C C 79 176.484 176.484 178.094 -1.610 19288 389 1 . 1 1 79 79 LYS CA C 79 58.342 58.342 60.501 -2.159 19288 390 1 . 1 1 79 79 LYS CB C 79 33.770 33.770 31.518 2.252 19288 391 1 . 1 1 79 79 LYS H H 79 7.977 7.977 7.970 0.007 19288 392 1 . 1 1 80 80 LYS N N 80 121.440 121.440 119.324 2.116 19288 393 1 . 1 1 80 80 LYS HA H 80 4.884 4.884 3.991 0.893 19288 394 1 . 1 1 80 80 LYS C C 80 173.961 173.961 178.336 -4.375 19288 395 1 . 1 1 80 80 LYS CA C 80 55.524 55.524 59.311 -3.787 19288 396 1 . 1 1 80 80 LYS CB C 80 35.024 35.024 31.524 3.500 19288 397 1 . 1 1 80 80 LYS H H 80 7.918 7.918 7.559 0.359 19288 398 1 . 1 1 81 81 PHE N N 81 116.724 116.724 119.872 -3.148 19288 399 1 . 1 1 81 81 PHE HA H 81 4.598 4.598 4.300 0.298 19288 400 1 . 1 1 81 81 PHE C C 81 174.541 174.541 177.937 -3.396 19288 401 1 . 1 1 81 81 PHE CA C 81 57.359 57.359 61.894 -4.535 19288 402 1 . 1 1 81 81 PHE CB C 81 44.738 44.738 39.355 5.383 19288 403 1 . 1 1 81 81 PHE H H 81 8.725 8.725 7.837 0.888 19288 404 1 . 1 1 82 82 GLU N N 82 120.474 120.474 119.670 0.804 19288 405 1 . 1 1 82 82 GLU HA H 82 4.155 4.155 4.291 -0.136 19288 406 1 . 1 1 82 82 GLU C C 82 175.832 175.832 178.657 -2.825 19288 407 1 . 1 1 82 82 GLU CA C 82 57.900 57.900 59.390 -1.490 19288 408 1 . 1 1 82 82 GLU CB C 82 30.829 30.829 29.735 1.094 19288 409 1 . 1 1 82 82 GLU H H 82 8.775 8.775 8.341 0.435 19288 410 1 . 1 1 83 83 LYS N N 83 114.607 114.607 117.492 -2.885 19288 411 1 . 1 1 83 83 LYS HA H 83 4.607 4.607 4.168 0.439 19288 412 1 . 1 1 83 83 LYS C C 83 174.585 174.585 177.444 -2.859 19288 413 1 . 1 1 83 83 LYS CA C 83 54.369 54.369 58.880 -4.511 19288 414 1 . 1 1 83 83 LYS CB C 83 35.540 35.540 32.186 3.354 19288 415 1 . 1 1 83 83 LYS H H 83 7.547 7.547 7.932 -0.385 19288 416 1 . 1 1 84 84 LYS N N 84 124.921 124.921 116.842 8.079 19288 417 1 . 1 1 84 84 LYS HA H 84 3.073 3.073 4.302 -1.229 19288 418 1 . 1 1 84 84 LYS C C 84 176.545 176.545 178.218 -1.673 19288 419 1 . 1 1 84 84 LYS CA C 84 59.680 59.680 57.762 1.918 19288 420 1 . 1 1 84 84 LYS CB C 84 31.920 31.920 33.039 -1.119 19288 421 1 . 1 1 84 84 LYS H H 84 8.162 8.162 7.500 0.662 19288 422 1 . 1 1 85 85 ASP N N 85 116.468 116.468 117.971 -1.503 19288 423 1 . 1 1 85 85 ASP HA H 85 4.192 4.192 4.424 -0.232 19288 424 1 . 1 1 85 85 ASP C C 85 176.385 176.385 175.699 0.686 19288 425 1 . 1 1 85 85 ASP CA C 85 56.789 56.789 55.379 1.410 19288 426 1 . 1 1 85 85 ASP CB C 85 39.780 39.780 41.423 -1.643 19288 427 1 . 1 1 85 85 ASP H H 85 8.682 8.682 8.025 0.657 19288 428 1 . 1 1 86 86 SER N N 86 114.601 114.601 116.996 -2.395 19288 429 1 . 1 1 86 86 SER HA H 86 4.183 4.183 4.834 -0.651 19288 430 1 . 1 1 86 86 SER C C 86 179.169 179.169 172.308 6.861 19288 431 1 . 1 1 86 86 SER CA C 86 60.939 60.939 55.129 5.810 19288 432 1 . 1 1 86 86 SER CB C 86 62.823 62.823 64.152 -1.329 19288 433 1 . 1 1 86 86 SER H H 86 7.200 7.200 7.731 -0.531 19288 434 1 . 1 1 87 87 VAL HA H 87 2.698 2.698 4.178 -1.480 19288 435 1 . 1 1 87 87 VAL C C 87 178.806 178.806 174.992 3.814 19288 436 1 . 1 1 87 87 VAL CA C 87 66.028 66.028 62.260 3.768 19288 437 1 . 1 1 87 87 VAL CB C 87 31.461 31.461 30.676 0.785 19288 438 1 . 1 1 88 88 VAL N N 88 120.424 120.424 122.943 -2.519 19288 439 1 . 1 1 88 88 VAL HA H 88 3.485 3.485 4.299 -0.814 19288 440 1 . 1 1 88 88 VAL C C 88 176.208 176.208 175.190 1.018 19288 441 1 . 1 1 88 88 VAL CA C 88 66.735 66.735 61.727 5.008 19288 442 1 . 1 1 88 88 VAL CB C 88 31.948 31.948 32.851 -0.903 19288 443 1 . 1 1 88 88 VAL H H 88 7.190 7.190 7.928 -0.738 19288 stop_ save_