data_18323 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18323 _Entry.PDB_ID 2LQP 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 18323 _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 2 2 THR N N 79 114.287 114.287 114.274 0.013 18323 2 1 1 . 1 1 2 2 THR HA H 79 4.281 4.281 4.371 -0.090 18323 3 1 1 . 1 1 2 2 THR C C 79 174.598 174.598 174.936 -0.338 18323 4 1 1 . 1 1 2 2 THR CA C 79 62.278 62.278 62.250 0.028 18323 5 1 1 . 1 1 2 2 THR CB C 79 69.310 69.310 70.293 -0.983 18323 6 1 1 . 1 1 2 2 THR H H 79 8.299 8.299 7.863 0.436 18323 7 1 1 . 1 1 3 3 ASP N N 80 122.311 122.311 123.225 -0.914 18323 8 1 1 . 1 1 3 3 ASP C C 80 176.788 176.788 175.498 1.290 18323 9 1 1 . 1 1 3 3 ASP CA C 80 54.660 54.660 53.429 1.231 18323 10 1 1 . 1 1 3 3 ASP CB C 80 41.182 41.182 40.549 0.633 18323 11 1 1 . 1 1 3 3 ASP H H 80 8.447 8.447 8.361 0.086 18323 12 1 1 . 1 1 4 4 SER N N 81 116.934 116.934 114.381 2.553 18323 13 1 1 . 1 1 4 4 SER HA H 81 4.022 4.022 4.166 -0.144 18323 14 1 1 . 1 1 4 4 SER C C 81 175.337 175.337 175.305 0.032 18323 15 1 1 . 1 1 4 4 SER CA C 81 58.762 58.762 58.843 -0.081 18323 16 1 1 . 1 1 4 4 SER CB C 81 64.036 64.036 61.816 2.220 18323 17 1 1 . 1 1 4 4 SER H H 81 8.351 8.351 8.280 0.071 18323 18 1 1 . 1 1 5 5 GLU N N 82 123.423 123.423 125.065 -1.642 18323 19 1 1 . 1 1 5 5 GLU HA H 82 4.112 4.112 3.871 0.241 18323 20 1 1 . 1 1 5 5 GLU C C 82 178.067 178.067 177.969 0.098 18323 21 1 1 . 1 1 5 5 GLU CA C 82 59.348 59.348 59.339 0.009 18323 22 1 1 . 1 1 5 5 GLU CB C 82 46.749 46.749 29.773 16.976 18323 23 1 1 . 1 1 5 5 GLU H H 82 8.588 8.588 9.089 -0.501 18323 24 1 1 . 1 1 6 6 GLU N N 83 118.987 118.987 119.346 -0.359 18323 25 1 1 . 1 1 6 6 GLU CA C 83 59.348 59.348 59.276 0.072 18323 26 1 1 . 1 1 6 6 GLU CB C 83 29.462 29.462 29.203 0.259 18323 27 1 1 . 1 1 6 6 GLU H H 83 8.412 8.412 8.428 -0.016 18323 28 1 1 . 1 1 7 7 GLU HA H 84 4.116 4.116 4.088 0.028 18323 29 1 1 . 1 1 7 7 GLU C C 84 178.969 178.969 179.461 -0.492 18323 30 1 1 . 1 1 7 7 GLU CA C 84 59.348 59.348 59.237 0.111 18323 31 1 1 . 1 1 7 7 GLU CB C 84 29.462 29.462 29.431 0.031 18323 32 1 1 . 1 1 8 8 ILE N N 85 121.839 121.839 118.953 2.886 18323 33 1 1 . 1 1 8 8 ILE HA H 85 3.917 3.917 3.815 0.102 18323 34 1 1 . 1 1 8 8 ILE C C 85 178.283 178.283 177.789 0.494 18323 35 1 1 . 1 1 8 8 ILE CA C 85 65.208 65.208 65.502 -0.295 18323 36 1 1 . 1 1 8 8 ILE CB C 85 37.080 37.080 37.761 -0.681 18323 37 1 1 . 1 1 8 8 ILE H H 85 8.001 8.001 7.627 0.374 18323 38 1 1 . 1 1 9 9 ARG N N 86 121.328 121.328 119.172 2.156 18323 39 1 1 . 1 1 9 9 ARG HA H 86 4.260 4.260 4.019 0.241 18323 40 1 1 . 1 1 9 9 ARG C C 86 179.291 179.291 178.984 0.307 18323 41 1 1 . 1 1 9 9 ARG CA C 86 59.934 59.934 59.657 0.277 18323 42 1 1 . 1 1 9 9 ARG CB C 86 29.462 29.462 29.771 -0.309 18323 43 1 1 . 1 1 9 9 ARG H H 86 8.544 8.544 7.533 1.011 18323 44 1 1 . 1 1 10 10 GLU N N 87 118.332 118.332 117.981 0.351 18323 45 1 1 . 1 1 10 10 GLU HA H 87 4.116 4.116 4.234 -0.118 18323 46 1 1 . 1 1 10 10 GLU C C 87 179.498 179.498 177.940 1.558 18323 47 1 1 . 1 1 10 10 GLU CA C 87 59.348 59.348 58.234 1.114 18323 48 1 1 . 1 1 10 10 GLU CB C 87 29.462 29.462 29.504 -0.042 18323 49 1 1 . 1 1 10 10 GLU H H 87 8.225 8.225 7.871 0.354 18323 50 1 1 . 1 1 11 11 ALA N N 88 121.839 121.839 122.983 -1.144 18323 51 1 1 . 1 1 11 11 ALA HA H 88 4.243 4.243 4.439 -0.196 18323 52 1 1 . 1 1 11 11 ALA C C 88 176.715 176.715 179.540 -2.825 18323 53 1 1 . 1 1 11 11 ALA CA C 88 55.246 55.246 54.856 0.390 18323 54 1 1 . 1 1 11 11 ALA CB C 88 18.136 18.136 18.754 -0.618 18323 55 1 1 . 1 1 11 11 ALA H H 88 8.001 8.001 8.161 -0.160 18323 56 1 1 . 1 1 12 12 PHE N N 89 118.794 118.794 118.110 0.684 18323 57 1 1 . 1 1 12 12 PHE HA H 89 4.934 4.934 4.015 0.919 18323 58 1 1 . 1 1 12 12 PHE C C 89 177.370 177.370 178.214 -0.844 18323 59 1 1 . 1 1 12 12 PHE CA C 89 62.278 62.278 62.165 0.113 18323 60 1 1 . 1 1 12 12 PHE CB C 89 39.424 39.424 38.352 1.072 18323 61 1 1 . 1 1 12 12 PHE H H 89 8.630 8.630 8.217 0.413 18323 62 1 1 . 1 1 13 13 ARG N N 90 115.837 115.837 117.784 -1.947 18323 63 1 1 . 1 1 13 13 ARG HA H 90 3.862 3.862 4.097 -0.235 18323 64 1 1 . 1 1 13 13 ARG C C 90 177.590 177.590 178.382 -0.792 18323 65 1 1 . 1 1 13 13 ARG CA C 90 58.762 58.762 58.010 0.752 18323 66 1 1 . 1 1 13 13 ARG CB C 90 30.048 30.048 29.259 0.789 18323 67 1 1 . 1 1 13 13 ARG H H 90 7.891 7.891 7.686 0.205 18323 68 1 1 . 1 1 14 14 VAL N N 91 118.382 118.382 118.797 -0.415 18323 69 1 1 . 1 1 14 14 VAL C C 91 176.343 176.343 177.737 -1.394 18323 70 1 1 . 1 1 14 14 VAL CA C 91 65.794 65.794 65.707 0.087 18323 71 1 1 . 1 1 14 14 VAL CB C 91 31.220 31.220 31.676 -0.456 18323 72 1 1 . 1 1 14 14 VAL H H 91 7.407 7.407 8.003 -0.596 18323 73 1 1 . 1 1 15 15 PHE N N 92 114.257 114.257 116.791 -2.534 18323 74 1 1 . 1 1 15 15 PHE HA H 92 4.661 4.661 4.168 0.493 18323 75 1 1 . 1 1 15 15 PHE C C 92 176.378 176.378 177.554 -1.176 18323 76 1 1 . 1 1 15 15 PHE CA C 92 59.934 59.934 60.558 -0.624 18323 77 1 1 . 1 1 15 15 PHE CB C 92 41.182 41.182 38.791 2.392 18323 78 1 1 . 1 1 15 15 PHE H H 92 6.892 6.892 7.817 -0.925 18323 79 1 1 . 1 1 16 16 ASP N N 93 116.288 116.288 119.243 -2.955 18323 80 1 1 . 1 1 16 16 ASP HA H 93 4.617 4.617 4.760 -0.143 18323 81 1 1 . 1 1 16 16 ASP C C 93 177.695 177.695 177.431 0.264 18323 82 1 1 . 1 1 16 16 ASP CA C 93 51.730 51.730 53.523 -1.793 18323 83 1 1 . 1 1 16 16 ASP CB C 93 38.838 38.838 38.945 -0.107 18323 84 1 1 . 1 1 16 16 ASP H H 93 7.847 7.847 8.592 -0.745 18323 85 1 1 . 1 1 17 17 LYS N N 94 125.440 125.440 121.247 4.193 18323 86 1 1 . 1 1 17 17 LYS HA H 94 3.889 3.889 3.948 -0.059 18323 87 1 1 . 1 1 17 17 LYS C C 94 178.290 178.290 177.373 0.917 18323 88 1 1 . 1 1 17 17 LYS CA C 94 58.762 58.762 59.270 -0.508 18323 89 1 1 . 1 1 17 17 LYS CB C 94 32.392 32.392 32.520 -0.128 18323 90 1 1 . 1 1 17 17 LYS H H 94 7.662 7.662 8.451 -0.789 18323 91 1 1 . 1 1 18 18 ASP N N 95 114.292 114.292 115.766 -1.474 18323 92 1 1 . 1 1 18 18 ASP HA H 95 4.567 4.567 4.583 -0.016 18323 93 1 1 . 1 1 18 18 ASP C C 95 177.826 177.826 176.373 1.453 18323 94 1 1 . 1 1 18 18 ASP CA C 95 52.902 52.902 53.972 -1.070 18323 95 1 1 . 1 1 18 18 ASP CB C 95 39.424 39.424 39.477 -0.053 18323 96 1 1 . 1 1 18 18 ASP H H 95 8.336 8.336 8.156 0.180 18323 97 1 1 . 1 1 19 19 GLY N N 96 109.374 109.374 107.694 1.680 18323 98 1 1 . 1 1 19 19 GLY C C 96 175.145 175.145 175.380 -0.235 18323 99 1 1 . 1 1 19 19 GLY CA C 96 47.042 47.042 46.395 0.646 18323 100 1 1 . 1 1 19 19 GLY H H 96 7.797 7.797 7.679 0.118 18323 101 1 1 . 1 1 20 20 ASN N N 97 119.964 119.964 119.111 0.853 18323 102 1 1 . 1 1 20 20 ASN HA H 97 4.670 4.670 4.651 0.019 18323 103 1 1 . 1 1 20 20 ASN C C 97 176.120 176.120 176.692 -0.572 18323 104 1 1 . 1 1 20 20 ASN CA C 97 52.316 52.316 52.206 0.110 18323 105 1 1 . 1 1 20 20 ASN CB C 97 38.252 38.252 38.496 -0.244 18323 106 1 1 . 1 1 20 20 ASN H H 97 8.430 8.430 8.047 0.383 18323 107 1 1 . 1 1 21 21 GLY N N 98 112.726 112.726 108.249 4.477 18323 108 1 1 . 1 1 21 21 GLY C C 98 172.751 172.751 172.653 0.098 18323 109 1 1 . 1 1 21 21 GLY CA C 98 44.698 44.698 46.036 -1.338 18323 110 1 1 . 1 1 21 21 GLY H H 98 10.638 10.638 8.489 2.149 18323 111 1 1 . 1 1 22 22 TYR N N 99 116.415 116.415 114.792 1.623 18323 112 1 1 . 1 1 22 22 TYR C C 99 174.795 174.795 173.707 1.088 18323 113 1 1 . 1 1 22 22 TYR CA C 99 56.418 56.418 56.479 -0.061 18323 114 1 1 . 1 1 22 22 TYR CB C 99 42.940 42.940 41.836 1.104 18323 115 1 1 . 1 1 22 22 TYR H H 99 7.708 7.708 8.132 -0.424 18323 116 1 1 . 1 1 23 23 ILE N N 100 127.488 127.488 120.206 7.282 18323 117 1 1 . 1 1 23 23 ILE C C 100 175.543 175.543 175.407 0.136 18323 118 1 1 . 1 1 23 23 ILE CA C 100 61.106 61.106 59.140 1.966 18323 119 1 1 . 1 1 23 23 ILE CB C 100 39.424 39.424 38.236 1.188 18323 120 1 1 . 1 1 23 23 ILE H H 100 10.197 10.197 8.687 1.510 18323 121 1 1 . 1 1 24 24 SER N N 101 123.860 123.860 121.954 1.906 18323 122 1 1 . 1 1 24 24 SER HA H 101 4.973 4.973 4.808 0.165 18323 123 1 1 . 1 1 24 24 SER C C 101 175.300 175.300 175.346 -0.046 18323 124 1 1 . 1 1 24 24 SER CA C 101 55.832 55.832 55.715 0.117 18323 125 1 1 . 1 1 24 24 SER CB C 101 66.966 66.966 65.587 1.379 18323 126 1 1 . 1 1 24 24 SER H H 101 8.998 8.998 8.829 0.169 18323 127 1 1 . 1 1 25 25 ALA N N 102 123.328 123.328 126.565 -3.237 18323 128 1 1 . 1 1 25 25 ALA HA H 102 3.938 3.938 4.081 -0.143 18323 129 1 1 . 1 1 25 25 ALA C C 102 179.324 179.324 178.793 0.531 18323 130 1 1 . 1 1 25 25 ALA CA C 102 55.832 55.832 55.095 0.737 18323 131 1 1 . 1 1 25 25 ALA CB C 102 17.742 17.742 18.622 -0.880 18323 132 1 1 . 1 1 25 25 ALA H H 102 9.377 9.377 8.934 0.443 18323 133 1 1 . 1 1 26 26 ALA N N 103 118.536 118.536 119.903 -1.367 18323 134 1 1 . 1 1 26 26 ALA HA H 103 4.054 4.054 3.780 0.274 18323 135 1 1 . 1 1 26 26 ALA C C 103 181.535 181.535 179.449 2.086 18323 136 1 1 . 1 1 26 26 ALA CA C 103 55.246 55.246 54.964 0.282 18323 137 1 1 . 1 1 26 26 ALA CB C 103 18.328 18.328 18.198 0.130 18323 138 1 1 . 1 1 26 26 ALA H H 103 8.317 8.317 7.756 0.561 18323 139 1 1 . 1 1 27 27 GLU N N 104 120.419 120.419 118.518 1.901 18323 140 1 1 . 1 1 27 27 GLU HA H 104 4.033 4.033 4.053 -0.020 18323 141 1 1 . 1 1 27 27 GLU C C 104 178.950 178.950 178.940 0.010 18323 142 1 1 . 1 1 27 27 GLU CA C 104 59.348 59.348 59.319 0.029 18323 143 1 1 . 1 1 27 27 GLU CB C 104 28.876 28.876 29.307 -0.431 18323 144 1 1 . 1 1 27 27 GLU H H 104 7.977 7.977 7.752 0.225 18323 145 1 1 . 1 1 28 28 LEU N N 105 120.658 120.658 119.110 1.548 18323 146 1 1 . 1 1 28 28 LEU HA H 105 4.178 4.178 4.266 -0.088 18323 147 1 1 . 1 1 28 28 LEU C C 105 178.402 178.402 179.000 -0.598 18323 148 1 1 . 1 1 28 28 LEU CA C 105 58.176 58.176 57.844 0.331 18323 149 1 1 . 1 1 28 28 LEU CB C 105 41.768 41.768 41.437 0.331 18323 150 1 1 . 1 1 28 28 LEU H H 105 8.500 8.500 7.243 1.257 18323 151 1 1 . 1 1 29 29 ARG N N 106 117.807 117.807 118.006 -0.199 18323 152 1 1 . 1 1 29 29 ARG HA H 106 4.042 4.042 3.977 0.065 18323 153 1 1 . 1 1 29 29 ARG C C 106 177.506 177.506 178.575 -1.069 18323 154 1 1 . 1 1 29 29 ARG CA C 106 59.934 59.934 59.125 0.809 18323 155 1 1 . 1 1 29 29 ARG CB C 106 30.634 30.634 29.429 1.205 18323 156 1 1 . 1 1 29 29 ARG H H 106 8.727 8.727 7.688 1.039 18323 157 1 1 . 1 1 30 30 HIS N N 107 119.849 119.849 119.222 0.627 18323 158 1 1 . 1 1 30 30 HIS C C 107 177.862 177.862 178.053 -0.191 18323 159 1 1 . 1 1 30 30 HIS CA C 107 59.934 59.934 58.180 1.754 18323 160 1 1 . 1 1 30 30 HIS CB C 107 30.634 30.634 29.484 1.150 18323 161 1 1 . 1 1 30 30 HIS H H 107 8.030 8.030 7.748 0.282 18323 162 1 1 . 1 1 31 31 VAL N N 108 119.784 119.784 120.113 -0.329 18323 163 1 1 . 1 1 31 31 VAL C C 108 178.437 178.437 177.695 0.742 18323 164 1 1 . 1 1 31 31 VAL CA C 108 66.966 66.966 65.429 1.537 18323 165 1 1 . 1 1 31 31 VAL CB C 108 31.806 31.806 31.656 0.150 18323 166 1 1 . 1 1 31 31 VAL H H 108 8.322 8.322 7.859 0.463 18323 167 1 1 . 1 1 32 32 MET N N 109 115.699 115.699 118.776 -3.077 18323 168 1 1 . 1 1 32 32 MET HA H 109 4.343 4.343 4.025 0.318 18323 169 1 1 . 1 1 32 32 MET C C 109 179.296 179.296 178.271 1.025 18323 170 1 1 . 1 1 32 32 MET CA C 109 57.004 57.004 60.045 -3.041 18323 171 1 1 . 1 1 32 32 MET CB C 109 29.462 29.462 32.467 -3.005 18323 172 1 1 . 1 1 32 32 MET H H 109 8.397 8.397 8.623 -0.226 18323 173 1 1 . 1 1 33 33 THR N N 110 116.362 116.362 113.842 2.520 18323 174 1 1 . 1 1 33 33 THR C C 110 178.290 178.290 176.516 1.774 18323 175 1 1 . 1 1 33 33 THR CA C 110 66.380 66.380 66.015 0.365 18323 176 1 1 . 1 1 33 33 THR CB C 110 68.724 68.724 68.925 -0.201 18323 177 1 1 . 1 1 33 33 THR H H 110 8.296 8.296 8.107 0.189 18323 178 1 1 . 1 1 34 34 ASN N N 111 122.809 122.809 118.974 3.835 18323 179 1 1 . 1 1 34 34 ASN HA H 111 4.619 4.619 4.534 0.085 18323 180 1 1 . 1 1 34 34 ASN C C 111 176.698 176.698 177.307 -0.609 18323 181 1 1 . 1 1 34 34 ASN CA C 111 55.832 55.832 55.247 0.585 18323 182 1 1 . 1 1 34 34 ASN CB C 111 38.252 38.252 38.344 -0.092 18323 183 1 1 . 1 1 34 34 ASN H H 111 7.936 7.936 7.938 -0.002 18323 184 1 1 . 1 1 35 35 LEU N N 112 118.523 118.523 118.287 0.236 18323 185 1 1 . 1 1 35 35 LEU HA H 112 4.322 4.322 4.090 0.232 18323 186 1 1 . 1 1 35 35 LEU C C 112 177.205 177.205 177.971 -0.766 18323 187 1 1 . 1 1 35 35 LEU CA C 112 55.246 55.246 56.381 -1.135 18323 188 1 1 . 1 1 35 35 LEU CB C 112 42.354 42.354 42.513 -0.159 18323 189 1 1 . 1 1 35 35 LEU H H 112 7.815 7.815 7.989 -0.174 18323 190 1 1 . 1 1 36 36 GLY N N 113 107.203 107.203 104.039 3.164 18323 191 1 1 . 1 1 36 36 GLY C C 113 174.354 174.354 174.707 -0.353 18323 192 1 1 . 1 1 36 36 GLY CA C 113 45.284 45.284 44.515 0.769 18323 193 1 1 . 1 1 36 36 GLY H H 113 7.853 7.853 7.538 0.315 18323 194 1 1 . 1 1 37 37 GLU N N 114 120.199 120.199 120.784 -0.585 18323 195 1 1 . 1 1 37 37 GLU HA H 114 4.435 4.435 4.296 0.139 18323 196 1 1 . 1 1 37 37 GLU C C 114 175.359 175.359 175.826 -0.467 18323 197 1 1 . 1 1 37 37 GLU CA C 114 54.660 54.660 56.150 -1.490 18323 198 1 1 . 1 1 37 37 GLU CB C 114 30.634 30.634 30.459 0.175 18323 199 1 1 . 1 1 37 37 GLU H H 114 7.909 7.909 7.776 0.133 18323 200 1 1 . 1 1 38 38 LYS N N 115 124.425 124.425 121.635 2.790 18323 201 1 1 . 1 1 38 38 LYS HA H 115 4.372 4.372 4.489 -0.117 18323 202 1 1 . 1 1 38 38 LYS C C 115 175.464 175.464 175.257 0.207 18323 203 1 1 . 1 1 38 38 LYS CA C 115 55.246 55.246 55.767 -0.521 18323 204 1 1 . 1 1 38 38 LYS CB C 115 31.806 31.806 32.140 -0.334 18323 205 1 1 . 1 1 38 38 LYS H H 115 8.642 8.642 8.504 0.138 18323 206 1 1 . 1 1 39 39 LEU N N 116 125.258 125.258 120.500 4.758 18323 207 1 1 . 1 1 39 39 LEU HA H 116 4.742 4.742 4.383 0.359 18323 208 1 1 . 1 1 39 39 LEU C C 116 178.351 178.351 176.902 1.449 18323 209 1 1 . 1 1 39 39 LEU CA C 116 54.074 54.074 55.295 -1.221 18323 210 1 1 . 1 1 39 39 LEU CB C 116 44.112 44.112 42.832 1.280 18323 211 1 1 . 1 1 39 39 LEU H H 116 8.102 8.102 7.716 0.386 18323 212 1 1 . 1 1 40 40 THR N N 117 114.811 114.811 111.054 3.757 18323 213 1 1 . 1 1 40 40 THR HA H 117 4.744 4.744 4.574 0.170 18323 214 1 1 . 1 1 40 40 THR C C 117 175.522 175.522 175.255 0.267 18323 215 1 1 . 1 1 40 40 THR CA C 117 60.520 60.520 59.907 0.613 18323 216 1 1 . 1 1 40 40 THR CB C 117 71.068 71.068 71.410 -0.342 18323 217 1 1 . 1 1 40 40 THR H H 117 9.297 9.297 8.123 1.174 18323 218 1 1 . 1 1 41 41 ASP N N 118 121.232 121.232 126.257 -5.025 18323 219 1 1 . 1 1 41 41 ASP C C 118 178.644 178.644 177.728 0.916 18323 220 1 1 . 1 1 41 41 ASP CA C 118 57.590 57.590 57.228 0.361 18323 221 1 1 . 1 1 41 41 ASP CB C 118 39.424 39.424 39.966 -0.542 18323 222 1 1 . 1 1 41 41 ASP H H 118 8.967 8.967 8.982 -0.015 18323 223 1 1 . 1 1 42 42 GLU N N 119 119.357 119.357 119.073 0.284 18323 224 1 1 . 1 1 42 42 GLU HA H 119 4.051 4.051 4.018 0.033 18323 225 1 1 . 1 1 42 42 GLU C C 119 178.847 178.847 179.007 -0.160 18323 226 1 1 . 1 1 42 42 GLU CA C 119 59.934 59.934 58.887 1.047 18323 227 1 1 . 1 1 42 42 GLU CB C 119 28.876 28.876 29.181 -0.305 18323 228 1 1 . 1 1 42 42 GLU H H 119 8.679 8.679 8.548 0.131 18323 229 1 1 . 1 1 43 43 GLU N N 120 118.761 118.761 120.337 -1.576 18323 230 1 1 . 1 1 43 43 GLU HA H 120 4.003 4.003 4.187 -0.184 18323 231 1 1 . 1 1 43 43 GLU C C 120 179.996 179.996 178.832 1.164 18323 232 1 1 . 1 1 43 43 GLU CA C 120 59.348 59.348 58.714 0.634 18323 233 1 1 . 1 1 43 43 GLU CB C 120 30.048 30.048 29.378 0.670 18323 234 1 1 . 1 1 43 43 GLU H H 120 7.998 7.998 8.127 -0.129 18323 235 1 1 . 1 1 44 44 VAL N N 121 121.165 121.165 121.310 -0.145 18323 236 1 1 . 1 1 44 44 VAL HA H 121 3.439 3.439 3.613 -0.174 18323 237 1 1 . 1 1 44 44 VAL C C 121 177.489 177.489 177.529 -0.040 18323 238 1 1 . 1 1 44 44 VAL CA C 121 66.966 66.966 67.601 -0.635 18323 239 1 1 . 1 1 44 44 VAL CB C 121 31.220 31.220 31.585 -0.365 18323 240 1 1 . 1 1 44 44 VAL H H 121 8.051 8.051 8.471 -0.420 18323 241 1 1 . 1 1 45 45 ASP N N 122 119.507 119.507 118.063 1.444 18323 242 1 1 . 1 1 45 45 ASP HA H 122 4.338 4.338 4.234 0.104 18323 243 1 1 . 1 1 45 45 ASP C C 122 179.226 179.226 178.790 0.436 18323 244 1 1 . 1 1 45 45 ASP CA C 122 57.590 57.590 57.431 0.159 18323 245 1 1 . 1 1 45 45 ASP CB C 122 40.596 40.596 40.744 -0.148 18323 246 1 1 . 1 1 45 45 ASP H H 122 8.092 8.092 7.985 0.107 18323 247 1 1 . 1 1 46 46 GLU N N 123 119.871 119.871 119.323 0.548 18323 248 1 1 . 1 1 46 46 GLU HA H 123 4.033 4.033 4.133 -0.100 18323 249 1 1 . 1 1 46 46 GLU C C 123 178.612 178.612 178.439 0.173 18323 250 1 1 . 1 1 46 46 GLU CA C 123 59.348 59.348 58.373 0.975 18323 251 1 1 . 1 1 46 46 GLU CB C 123 29.462 29.462 29.379 0.083 18323 252 1 1 . 1 1 46 46 GLU H H 123 8.131 8.131 7.432 0.699 18323 253 1 1 . 1 1 47 47 MET N N 124 119.395 119.395 120.786 -1.391 18323 254 1 1 . 1 1 47 47 MET CA C 124 60.520 60.520 60.019 0.501 18323 255 1 1 . 1 1 47 47 MET CB C 124 32.978 32.978 32.495 0.483 18323 256 1 1 . 1 1 47 47 MET H H 124 7.781 7.781 8.272 -0.491 18323 257 1 1 . 1 1 48 48 ILE HA H 125 4.234 4.234 3.654 0.580 18323 258 1 1 . 1 1 48 48 ILE C C 125 177.530 177.530 177.987 -0.457 18323 259 1 1 . 1 1 48 48 ILE CA C 125 63.450 63.450 65.203 -1.753 18323 260 1 1 . 1 1 48 48 ILE CB C 125 35.908 35.908 37.562 -1.653 18323 261 1 1 . 1 1 49 49 ARG N N 126 118.403 118.403 119.315 -0.912 18323 262 1 1 . 1 1 49 49 ARG HA H 126 4.105 4.105 3.990 0.115 18323 263 1 1 . 1 1 49 49 ARG C C 126 178.928 178.928 178.359 0.569 18323 264 1 1 . 1 1 49 49 ARG CA C 126 59.934 59.934 58.828 1.106 18323 265 1 1 . 1 1 49 49 ARG CB C 126 30.414 30.414 29.349 1.065 18323 266 1 1 . 1 1 49 49 ARG H H 126 8.555 8.555 7.548 1.007 18323 267 1 1 . 1 1 50 50 GLU N N 127 116.347 116.347 117.230 -0.883 18323 268 1 1 . 1 1 50 50 GLU HA H 127 4.039 4.039 4.241 -0.202 18323 269 1 1 . 1 1 50 50 GLU C C 127 176.941 176.941 177.850 -0.909 18323 270 1 1 . 1 1 50 50 GLU CA C 127 58.762 58.762 58.028 0.734 18323 271 1 1 . 1 1 50 50 GLU CB C 127 30.048 30.048 29.994 0.054 18323 272 1 1 . 1 1 50 50 GLU H H 127 7.990 7.990 7.954 0.036 18323 273 1 1 . 1 1 51 51 ALA N N 128 117.251 117.251 120.982 -3.731 18323 274 1 1 . 1 1 51 51 ALA HA H 128 4.456 4.456 4.119 0.337 18323 275 1 1 . 1 1 51 51 ALA C C 128 177.757 177.757 177.833 -0.076 18323 276 1 1 . 1 1 51 51 ALA CA C 128 51.730 51.730 53.655 -1.925 18323 277 1 1 . 1 1 51 51 ALA CB C 128 21.844 21.844 19.370 2.474 18323 278 1 1 . 1 1 51 51 ALA H H 128 7.126 7.126 8.005 -0.879 18323 279 1 1 . 1 1 52 52 ASP N N 129 117.909 117.909 118.483 -0.574 18323 280 1 1 . 1 1 52 52 ASP HA H 129 4.502 4.502 4.418 0.084 18323 281 1 1 . 1 1 52 52 ASP C C 129 175.854 175.854 176.322 -0.468 18323 282 1 1 . 1 1 52 52 ASP CA C 129 54.074 54.074 55.490 -1.416 18323 283 1 1 . 1 1 52 52 ASP CB C 129 40.596 40.596 41.067 -0.471 18323 284 1 1 . 1 1 52 52 ASP H H 129 7.962 7.962 8.228 -0.266 18323 285 1 1 . 1 1 53 53 ILE N N 130 127.900 127.900 124.763 3.137 18323 286 1 1 . 1 1 53 53 ILE C C 130 177.995 177.995 177.117 0.878 18323 287 1 1 . 1 1 53 53 ILE CA C 130 63.450 63.450 62.568 0.882 18323 288 1 1 . 1 1 53 53 ILE CB C 130 38.838 38.838 38.491 0.347 18323 289 1 1 . 1 1 53 53 ILE H H 130 8.261 8.261 8.080 0.181 18323 290 1 1 . 1 1 54 54 ASP N N 131 116.678 116.678 118.196 -1.518 18323 291 1 1 . 1 1 54 54 ASP HA H 131 4.541 4.541 4.714 -0.173 18323 292 1 1 . 1 1 54 54 ASP C C 131 178.283 178.283 176.866 1.417 18323 293 1 1 . 1 1 54 54 ASP CA C 131 54.074 54.074 54.204 -0.130 18323 294 1 1 . 1 1 54 54 ASP CB C 131 40.010 40.010 40.812 -0.803 18323 295 1 1 . 1 1 54 54 ASP H H 131 8.372 8.372 8.394 -0.022 18323 296 1 1 . 1 1 55 55 GLY N N 132 108.866 108.866 109.140 -0.274 18323 297 1 1 . 1 1 55 55 GLY C C 132 175.365 175.365 174.790 0.575 18323 298 1 1 . 1 1 55 55 GLY CA C 132 47.628 47.628 46.204 1.424 18323 299 1 1 . 1 1 55 55 GLY H H 132 7.679 7.679 8.608 -0.929 18323 300 1 1 . 1 1 56 56 ASP N N 133 120.968 120.968 119.842 1.126 18323 301 1 1 . 1 1 56 56 ASP HA H 133 4.493 4.493 4.606 -0.113 18323 302 1 1 . 1 1 56 56 ASP C C 133 177.582 177.582 177.403 0.179 18323 303 1 1 . 1 1 56 56 ASP CA C 133 53.488 53.488 53.780 -0.292 18323 304 1 1 . 1 1 56 56 ASP CB C 133 40.010 40.010 42.771 -2.761 18323 305 1 1 . 1 1 56 56 ASP H H 133 8.415 8.415 8.513 -0.098 18323 306 1 1 . 1 1 57 57 GLY N N 134 112.821 112.821 109.555 3.266 18323 307 1 1 . 1 1 57 57 GLY C C 134 172.847 172.847 172.562 0.285 18323 308 1 1 . 1 1 57 57 GLY CA C 134 45.870 45.870 45.138 0.732 18323 309 1 1 . 1 1 57 57 GLY H H 134 10.300 10.300 8.607 1.693 18323 310 1 1 . 1 1 58 58 GLN N N 135 115.391 115.391 118.740 -3.349 18323 311 1 1 . 1 1 58 58 GLN HA H 135 5.003 5.003 4.785 0.218 18323 312 1 1 . 1 1 58 58 GLN C C 135 175.019 175.019 175.007 0.012 18323 313 1 1 . 1 1 58 58 GLN CA C 135 52.902 52.902 54.078 -1.176 18323 314 1 1 . 1 1 58 58 GLN CB C 135 32.978 32.978 30.375 2.603 18323 315 1 1 . 1 1 58 58 GLN H H 135 8.022 8.022 7.580 0.442 18323 316 1 1 . 1 1 59 59 VAL N N 136 125.596 125.596 125.484 0.112 18323 317 1 1 . 1 1 59 59 VAL HA H 136 5.134 5.134 4.348 0.786 18323 318 1 1 . 1 1 59 59 VAL C C 136 175.912 175.912 176.423 -0.511 18323 319 1 1 . 1 1 59 59 VAL CA C 136 61.613 61.613 61.484 0.129 18323 320 1 1 . 1 1 59 59 VAL CB C 136 33.694 33.694 32.503 1.191 18323 321 1 1 . 1 1 59 59 VAL H H 136 9.176 9.176 7.996 1.180 18323 322 1 1 . 1 1 60 60 ASN N N 137 129.229 129.229 127.046 2.183 18323 323 1 1 . 1 1 60 60 ASN HA H 137 5.371 5.371 4.776 0.595 18323 324 1 1 . 1 1 60 60 ASN C C 137 174.805 174.805 176.069 -1.264 18323 325 1 1 . 1 1 60 60 ASN CA C 137 51.144 51.144 53.055 -1.911 18323 326 1 1 . 1 1 60 60 ASN CB C 137 38.252 38.252 38.769 -0.517 18323 327 1 1 . 1 1 60 60 ASN H H 137 9.576 9.576 8.363 1.213 18323 328 1 1 . 1 1 61 61 TYR N N 138 118.597 118.597 118.589 0.008 18323 329 1 1 . 1 1 61 61 TYR C C 138 176.119 176.119 177.952 -1.833 18323 330 1 1 . 1 1 61 61 TYR CA C 138 62.278 62.278 61.250 1.028 18323 331 1 1 . 1 1 61 61 TYR CB C 138 37.666 37.666 38.100 -0.434 18323 332 1 1 . 1 1 61 61 TYR H H 138 8.268 8.268 8.825 -0.557 18323 333 1 1 . 1 1 62 62 GLU N N 139 118.441 118.441 119.363 -0.922 18323 334 1 1 . 1 1 62 62 GLU HA H 139 4.123 4.123 4.083 0.040 18323 335 1 1 . 1 1 62 62 GLU C C 139 179.189 179.189 179.188 0.001 18323 336 1 1 . 1 1 62 62 GLU CA C 139 59.934 59.934 60.110 -0.176 18323 337 1 1 . 1 1 62 62 GLU CB C 139 28.876 28.876 29.202 -0.326 18323 338 1 1 . 1 1 62 62 GLU H H 139 8.087 8.087 9.052 -0.965 18323 339 1 1 . 1 1 63 63 GLU N N 140 120.992 120.992 119.247 1.745 18323 340 1 1 . 1 1 63 63 GLU HA H 140 3.914 3.914 4.055 -0.141 18323 341 1 1 . 1 1 63 63 GLU C C 140 179.328 179.328 178.859 0.469 18323 342 1 1 . 1 1 63 63 GLU CA C 140 58.762 58.762 59.178 -0.416 18323 343 1 1 . 1 1 63 63 GLU CB C 140 29.462 29.462 29.516 -0.054 18323 344 1 1 . 1 1 63 63 GLU H H 140 7.761 7.761 8.853 -1.092 18323 345 1 1 . 1 1 64 64 PHE N N 141 123.798 123.798 119.841 3.957 18323 346 1 1 . 1 1 64 64 PHE C C 141 176.843 176.843 176.744 0.099 18323 347 1 1 . 1 1 64 64 PHE CA C 141 61.692 61.692 60.819 0.873 18323 348 1 1 . 1 1 64 64 PHE CB C 141 39.917 39.917 39.958 -0.041 18323 349 1 1 . 1 1 64 64 PHE H H 141 8.529 8.529 7.664 0.865 18323 350 1 1 . 1 1 65 65 VAL N N 142 119.218 119.218 119.490 -0.272 18323 351 1 1 . 1 1 65 65 VAL C C 142 179.497 179.497 177.185 2.312 18323 352 1 1 . 1 1 65 65 VAL CA C 142 66.966 66.966 65.912 1.054 18323 353 1 1 . 1 1 65 65 VAL CB C 142 31.220 31.220 31.099 0.121 18323 354 1 1 . 1 1 65 65 VAL H H 142 8.672 8.672 8.822 -0.150 18323 355 1 1 . 1 1 66 66 GLN N N 143 118.362 118.362 117.735 0.627 18323 356 1 1 . 1 1 66 66 GLN HA H 143 3.845 3.845 4.060 -0.215 18323 357 1 1 . 1 1 66 66 GLN C C 143 177.881 177.881 177.735 0.146 18323 358 1 1 . 1 1 66 66 GLN CA C 143 58.762 58.762 58.017 0.745 18323 359 1 1 . 1 1 66 66 GLN CB C 143 27.704 27.704 29.339 -1.635 18323 360 1 1 . 1 1 66 66 GLN H H 143 7.550 7.550 7.655 -0.105 18323 361 1 1 . 1 1 67 67 MET N N 144 116.720 116.720 116.077 0.643 18323 362 1 1 . 1 1 67 67 MET C C 144 177.803 177.803 177.433 0.370 18323 363 1 1 . 1 1 67 67 MET CA C 144 56.418 56.418 56.193 0.225 18323 364 1 1 . 1 1 67 67 MET CB C 144 31.806 31.806 32.620 -0.814 18323 365 1 1 . 1 1 67 67 MET H H 144 7.300 7.300 7.520 -0.220 18323 366 1 1 . 1 1 68 68 MET N N 145 116.116 116.116 118.908 -2.792 18323 367 1 1 . 1 1 68 68 MET HA H 145 4.115 4.115 4.022 0.093 18323 368 1 1 . 1 1 68 68 MET C C 145 177.203 177.203 176.274 0.929 18323 369 1 1 . 1 1 68 68 MET CA C 145 56.418 56.418 55.985 0.433 18323 370 1 1 . 1 1 68 68 MET CB C 145 31.806 31.806 33.605 -1.799 18323 371 1 1 . 1 1 68 68 MET H H 145 7.732 7.732 7.179 0.553 18323 372 1 1 . 1 1 69 69 THR N N 146 108.868 108.868 115.067 -6.199 18323 373 1 1 . 1 1 69 69 THR HA H 146 4.288 4.288 4.122 0.166 18323 374 1 1 . 1 1 69 69 THR C C 146 174.154 174.154 174.552 -0.398 18323 375 1 1 . 1 1 69 69 THR CA C 146 61.692 61.692 62.646 -0.954 18323 376 1 1 . 1 1 69 69 THR CB C 146 69.896 69.896 68.872 1.024 18323 377 1 1 . 1 1 69 69 THR H H 146 7.649 7.649 8.183 -0.534 18323 378 1 1 . 1 1 70 70 ALA N N 147 126.934 126.934 125.441 1.493 18323 379 1 1 . 1 1 70 70 ALA HA H 147 4.287 4.287 4.214 0.073 18323 380 1 1 . 1 1 70 70 ALA C C 147 176.686 176.686 176.446 0.240 18323 381 1 1 . 1 1 70 70 ALA CA C 147 52.902 52.902 53.110 -0.208 18323 382 1 1 . 1 1 70 70 ALA CB C 147 18.914 18.914 19.162 -0.248 18323 383 1 1 . 1 1 70 70 ALA H H 147 7.546 7.546 7.739 -0.193 18323 384 1 2 . 1 1 2 2 THR N N 79 114.287 114.287 116.516 -2.229 18323 385 1 2 . 1 1 2 2 THR HA H 79 4.281 4.281 4.497 -0.216 18323 386 1 2 . 1 1 2 2 THR C C 79 174.598 174.598 175.242 -0.644 18323 387 1 2 . 1 1 2 2 THR CA C 79 62.278 62.278 61.996 0.282 18323 388 1 2 . 1 1 2 2 THR CB C 79 69.310 69.310 69.955 -0.645 18323 389 1 2 . 1 1 2 2 THR H H 79 8.299 8.299 8.086 0.213 18323 390 1 2 . 1 1 3 3 ASP N N 80 122.311 122.311 126.717 -4.406 18323 391 1 2 . 1 1 3 3 ASP C C 80 176.788 176.788 176.313 0.475 18323 392 1 2 . 1 1 3 3 ASP CA C 80 54.660 54.660 55.335 -0.675 18323 393 1 2 . 1 1 3 3 ASP CB C 80 41.182 41.182 40.905 0.277 18323 394 1 2 . 1 1 3 3 ASP H H 80 8.447 8.447 8.783 -0.336 18323 395 1 2 . 1 1 4 4 SER N N 81 116.934 116.934 116.612 0.322 18323 396 1 2 . 1 1 4 4 SER HA H 81 4.022 4.022 4.395 -0.373 18323 397 1 2 . 1 1 4 4 SER C C 81 175.337 175.337 175.293 0.044 18323 398 1 2 . 1 1 4 4 SER CA C 81 58.762 58.762 58.003 0.759 18323 399 1 2 . 1 1 4 4 SER CB C 81 64.036 64.036 63.638 0.398 18323 400 1 2 . 1 1 4 4 SER H H 81 8.351 8.351 8.020 0.331 18323 401 1 2 . 1 1 5 5 GLU N N 82 123.423 123.423 129.095 -5.672 18323 402 1 2 . 1 1 5 5 GLU HA H 82 4.112 4.112 3.990 0.122 18323 403 1 2 . 1 1 5 5 GLU C C 82 178.067 178.067 177.557 0.510 18323 404 1 2 . 1 1 5 5 GLU CA C 82 59.348 59.348 58.470 0.878 18323 405 1 2 . 1 1 5 5 GLU CB C 82 46.749 46.749 29.703 17.046 18323 406 1 2 . 1 1 5 5 GLU H H 82 8.588 8.588 9.091 -0.503 18323 407 1 2 . 1 1 6 6 GLU N N 83 118.987 118.987 120.772 -1.785 18323 408 1 2 . 1 1 6 6 GLU CA C 83 59.348 59.348 59.423 -0.075 18323 409 1 2 . 1 1 6 6 GLU CB C 83 29.462 29.462 29.202 0.260 18323 410 1 2 . 1 1 6 6 GLU H H 83 8.412 8.412 7.567 0.845 18323 411 1 2 . 1 1 7 7 GLU HA H 84 4.116 4.116 4.104 0.012 18323 412 1 2 . 1 1 7 7 GLU C C 84 178.969 178.969 179.033 -0.064 18323 413 1 2 . 1 1 7 7 GLU CA C 84 59.348 59.348 59.338 0.010 18323 414 1 2 . 1 1 7 7 GLU CB C 84 29.462 29.462 29.285 0.177 18323 415 1 2 . 1 1 8 8 ILE N N 85 121.839 121.839 118.983 2.856 18323 416 1 2 . 1 1 8 8 ILE HA H 85 3.917 3.917 3.782 0.135 18323 417 1 2 . 1 1 8 8 ILE C C 85 178.283 178.283 179.135 -0.852 18323 418 1 2 . 1 1 8 8 ILE CA C 85 65.208 65.208 65.083 0.125 18323 419 1 2 . 1 1 8 8 ILE CB C 85 37.080 37.080 37.851 -0.771 18323 420 1 2 . 1 1 8 8 ILE H H 85 8.001 8.001 8.085 -0.084 18323 421 1 2 . 1 1 9 9 ARG N N 86 121.328 121.328 120.137 1.191 18323 422 1 2 . 1 1 9 9 ARG HA H 86 4.260 4.260 4.129 0.131 18323 423 1 2 . 1 1 9 9 ARG C C 86 179.291 179.291 178.785 0.506 18323 424 1 2 . 1 1 9 9 ARG CA C 86 59.934 59.934 59.998 -0.064 18323 425 1 2 . 1 1 9 9 ARG CB C 86 29.462 29.462 29.941 -0.479 18323 426 1 2 . 1 1 9 9 ARG H H 86 8.544 8.544 8.500 0.044 18323 427 1 2 . 1 1 10 10 GLU N N 87 118.332 118.332 117.421 0.911 18323 428 1 2 . 1 1 10 10 GLU HA H 87 4.116 4.116 4.210 -0.094 18323 429 1 2 . 1 1 10 10 GLU C C 87 179.498 179.498 177.959 1.539 18323 430 1 2 . 1 1 10 10 GLU CA C 87 59.348 59.348 58.129 1.219 18323 431 1 2 . 1 1 10 10 GLU CB C 87 29.462 29.462 29.510 -0.048 18323 432 1 2 . 1 1 10 10 GLU H H 87 8.225 8.225 7.916 0.309 18323 433 1 2 . 1 1 11 11 ALA N N 88 121.839 121.839 123.925 -2.086 18323 434 1 2 . 1 1 11 11 ALA HA H 88 4.243 4.243 4.244 -0.001 18323 435 1 2 . 1 1 11 11 ALA C C 88 176.715 176.715 179.078 -2.363 18323 436 1 2 . 1 1 11 11 ALA CA C 88 55.246 55.246 55.045 0.201 18323 437 1 2 . 1 1 11 11 ALA CB C 88 18.136 18.136 18.544 -0.408 18323 438 1 2 . 1 1 11 11 ALA H H 88 8.001 8.001 8.272 -0.271 18323 439 1 2 . 1 1 12 12 PHE N N 89 118.794 118.794 117.534 1.260 18323 440 1 2 . 1 1 12 12 PHE HA H 89 4.934 4.934 3.920 1.014 18323 441 1 2 . 1 1 12 12 PHE C C 89 177.370 177.370 178.234 -0.864 18323 442 1 2 . 1 1 12 12 PHE CA C 89 62.278 62.278 62.378 -0.100 18323 443 1 2 . 1 1 12 12 PHE CB C 89 39.424 39.424 38.380 1.044 18323 444 1 2 . 1 1 12 12 PHE H H 89 8.630 8.630 7.780 0.850 18323 445 1 2 . 1 1 13 13 ARG N N 90 115.837 115.837 117.245 -1.408 18323 446 1 2 . 1 1 13 13 ARG HA H 90 3.862 3.862 4.108 -0.246 18323 447 1 2 . 1 1 13 13 ARG C C 90 177.590 177.590 178.182 -0.592 18323 448 1 2 . 1 1 13 13 ARG CA C 90 58.762 58.762 58.019 0.743 18323 449 1 2 . 1 1 13 13 ARG CB C 90 30.048 30.048 29.240 0.808 18323 450 1 2 . 1 1 13 13 ARG H H 90 7.891 7.891 7.692 0.199 18323 451 1 2 . 1 1 14 14 VAL N N 91 118.382 118.382 119.250 -0.868 18323 452 1 2 . 1 1 14 14 VAL C C 91 176.343 176.343 177.956 -1.613 18323 453 1 2 . 1 1 14 14 VAL CA C 91 65.794 65.794 65.834 -0.040 18323 454 1 2 . 1 1 14 14 VAL CB C 91 31.220 31.220 31.631 -0.411 18323 455 1 2 . 1 1 14 14 VAL H H 91 7.407 7.407 7.779 -0.371 18323 456 1 2 . 1 1 15 15 PHE N N 92 114.257 114.257 116.837 -2.580 18323 457 1 2 . 1 1 15 15 PHE HA H 92 4.661 4.661 4.192 0.469 18323 458 1 2 . 1 1 15 15 PHE C C 92 176.378 176.378 177.496 -1.118 18323 459 1 2 . 1 1 15 15 PHE CA C 92 59.934 59.934 60.720 -0.786 18323 460 1 2 . 1 1 15 15 PHE CB C 92 41.182 41.182 38.896 2.286 18323 461 1 2 . 1 1 15 15 PHE H H 92 6.892 6.892 8.089 -1.197 18323 462 1 2 . 1 1 16 16 ASP N N 93 116.288 116.288 119.450 -3.162 18323 463 1 2 . 1 1 16 16 ASP HA H 93 4.617 4.617 4.832 -0.215 18323 464 1 2 . 1 1 16 16 ASP C C 93 177.695 177.695 177.529 0.166 18323 465 1 2 . 1 1 16 16 ASP CA C 93 51.730 51.730 53.370 -1.641 18323 466 1 2 . 1 1 16 16 ASP CB C 93 38.838 38.838 38.892 -0.054 18323 467 1 2 . 1 1 16 16 ASP H H 93 7.847 7.847 8.571 -0.724 18323 468 1 2 . 1 1 17 17 LYS N N 94 125.440 125.440 121.007 4.433 18323 469 1 2 . 1 1 17 17 LYS HA H 94 3.889 3.889 3.917 -0.028 18323 470 1 2 . 1 1 17 17 LYS C C 94 178.290 178.290 177.445 0.845 18323 471 1 2 . 1 1 17 17 LYS CA C 94 58.762 58.762 59.223 -0.461 18323 472 1 2 . 1 1 17 17 LYS CB C 94 32.392 32.392 32.386 0.006 18323 473 1 2 . 1 1 17 17 LYS H H 94 7.662 7.662 8.504 -0.842 18323 474 1 2 . 1 1 18 18 ASP N N 95 114.292 114.292 115.716 -1.424 18323 475 1 2 . 1 1 18 18 ASP HA H 95 4.567 4.567 4.598 -0.031 18323 476 1 2 . 1 1 18 18 ASP C C 95 177.826 177.826 176.322 1.504 18323 477 1 2 . 1 1 18 18 ASP CA C 95 52.902 52.902 53.767 -0.865 18323 478 1 2 . 1 1 18 18 ASP CB C 95 39.424 39.424 39.593 -0.169 18323 479 1 2 . 1 1 18 18 ASP H H 95 8.336 8.336 8.100 0.236 18323 480 1 2 . 1 1 19 19 GLY N N 96 109.374 109.374 108.309 1.065 18323 481 1 2 . 1 1 19 19 GLY C C 96 175.145 175.145 175.401 -0.256 18323 482 1 2 . 1 1 19 19 GLY CA C 96 47.042 47.042 46.413 0.629 18323 483 1 2 . 1 1 19 19 GLY H H 96 7.797 7.797 8.087 -0.290 18323 484 1 2 . 1 1 20 20 ASN N N 97 119.964 119.964 118.719 1.245 18323 485 1 2 . 1 1 20 20 ASN HA H 97 4.670 4.670 4.599 0.071 18323 486 1 2 . 1 1 20 20 ASN C C 97 176.120 176.120 176.770 -0.650 18323 487 1 2 . 1 1 20 20 ASN CA C 97 52.316 52.316 52.769 -0.453 18323 488 1 2 . 1 1 20 20 ASN CB C 97 38.252 38.252 39.135 -0.883 18323 489 1 2 . 1 1 20 20 ASN H H 97 8.430 8.430 8.320 0.110 18323 490 1 2 . 1 1 21 21 GLY N N 98 112.726 112.726 108.561 4.165 18323 491 1 2 . 1 1 21 21 GLY C C 98 172.751 172.751 172.943 -0.192 18323 492 1 2 . 1 1 21 21 GLY CA C 98 44.698 44.698 45.172 -0.474 18323 493 1 2 . 1 1 21 21 GLY H H 98 10.638 10.638 8.979 1.659 18323 494 1 2 . 1 1 22 22 TYR N N 99 116.415 116.415 116.709 -0.294 18323 495 1 2 . 1 1 22 22 TYR C C 99 174.795 174.795 173.962 0.833 18323 496 1 2 . 1 1 22 22 TYR CA C 99 56.418 56.418 57.180 -0.762 18323 497 1 2 . 1 1 22 22 TYR CB C 99 42.940 42.940 42.000 0.940 18323 498 1 2 . 1 1 22 22 TYR H H 99 7.708 7.708 8.049 -0.341 18323 499 1 2 . 1 1 23 23 ILE N N 100 127.488 127.488 121.802 5.686 18323 500 1 2 . 1 1 23 23 ILE C C 100 175.543 175.543 174.789 0.754 18323 501 1 2 . 1 1 23 23 ILE CA C 100 61.106 61.106 58.941 2.165 18323 502 1 2 . 1 1 23 23 ILE CB C 100 39.424 39.424 38.808 0.616 18323 503 1 2 . 1 1 23 23 ILE H H 100 10.197 10.197 8.305 1.892 18323 504 1 2 . 1 1 24 24 SER N N 101 123.860 123.860 122.480 1.380 18323 505 1 2 . 1 1 24 24 SER HA H 101 4.973 4.973 4.818 0.155 18323 506 1 2 . 1 1 24 24 SER C C 101 175.300 175.300 175.389 -0.089 18323 507 1 2 . 1 1 24 24 SER CA C 101 55.832 55.832 56.357 -0.525 18323 508 1 2 . 1 1 24 24 SER CB C 101 66.966 66.966 65.425 1.541 18323 509 1 2 . 1 1 24 24 SER H H 101 8.998 8.998 8.998 -0.000 18323 510 1 2 . 1 1 25 25 ALA N N 102 123.328 123.328 125.873 -2.545 18323 511 1 2 . 1 1 25 25 ALA HA H 102 3.938 3.938 4.143 -0.205 18323 512 1 2 . 1 1 25 25 ALA C C 102 179.324 179.324 178.807 0.517 18323 513 1 2 . 1 1 25 25 ALA CA C 102 55.832 55.832 55.125 0.707 18323 514 1 2 . 1 1 25 25 ALA CB C 102 17.742 17.742 18.683 -0.941 18323 515 1 2 . 1 1 25 25 ALA H H 102 9.377 9.377 9.011 0.366 18323 516 1 2 . 1 1 26 26 ALA N N 103 118.536 118.536 120.059 -1.523 18323 517 1 2 . 1 1 26 26 ALA HA H 103 4.054 4.054 4.075 -0.021 18323 518 1 2 . 1 1 26 26 ALA C C 103 181.535 181.535 179.628 1.907 18323 519 1 2 . 1 1 26 26 ALA CA C 103 55.246 55.246 55.145 0.100 18323 520 1 2 . 1 1 26 26 ALA CB C 103 18.328 18.328 18.319 0.009 18323 521 1 2 . 1 1 26 26 ALA H H 103 8.317 8.317 7.828 0.489 18323 522 1 2 . 1 1 27 27 GLU N N 104 120.419 120.419 118.585 1.834 18323 523 1 2 . 1 1 27 27 GLU HA H 104 4.033 4.033 4.010 0.023 18323 524 1 2 . 1 1 27 27 GLU C C 104 178.950 178.950 178.999 -0.049 18323 525 1 2 . 1 1 27 27 GLU CA C 104 59.348 59.348 59.396 -0.048 18323 526 1 2 . 1 1 27 27 GLU CB C 104 28.876 28.876 29.298 -0.422 18323 527 1 2 . 1 1 27 27 GLU H H 104 7.977 7.977 7.847 0.130 18323 528 1 2 . 1 1 28 28 LEU N N 105 120.658 120.658 119.246 1.412 18323 529 1 2 . 1 1 28 28 LEU HA H 105 4.178 4.178 4.250 -0.072 18323 530 1 2 . 1 1 28 28 LEU C C 105 178.402 178.402 179.064 -0.662 18323 531 1 2 . 1 1 28 28 LEU CA C 105 58.176 58.176 57.913 0.263 18323 532 1 2 . 1 1 28 28 LEU CB C 105 41.768 41.768 41.415 0.353 18323 533 1 2 . 1 1 28 28 LEU H H 105 8.500 8.500 7.337 1.163 18323 534 1 2 . 1 1 29 29 ARG N N 106 117.807 117.807 118.250 -0.443 18323 535 1 2 . 1 1 29 29 ARG HA H 106 4.042 4.042 3.944 0.098 18323 536 1 2 . 1 1 29 29 ARG C C 106 177.506 177.506 178.570 -1.064 18323 537 1 2 . 1 1 29 29 ARG CA C 106 59.934 59.934 59.334 0.600 18323 538 1 2 . 1 1 29 29 ARG CB C 106 30.634 30.634 29.429 1.205 18323 539 1 2 . 1 1 29 29 ARG H H 106 8.727 8.727 7.761 0.966 18323 540 1 2 . 1 1 30 30 HIS N N 107 119.849 119.849 119.925 -0.076 18323 541 1 2 . 1 1 30 30 HIS C C 107 177.862 177.862 177.580 0.282 18323 542 1 2 . 1 1 30 30 HIS CA C 107 59.934 59.934 59.813 0.121 18323 543 1 2 . 1 1 30 30 HIS CB C 107 30.634 30.634 30.463 0.171 18323 544 1 2 . 1 1 30 30 HIS H H 107 8.030 8.030 7.860 0.170 18323 545 1 2 . 1 1 31 31 VAL N N 108 119.784 119.784 120.739 -0.955 18323 546 1 2 . 1 1 31 31 VAL C C 108 178.437 178.437 178.082 0.355 18323 547 1 2 . 1 1 31 31 VAL CA C 108 66.966 66.966 66.251 0.715 18323 548 1 2 . 1 1 31 31 VAL CB C 108 31.806 31.806 31.779 0.027 18323 549 1 2 . 1 1 31 31 VAL H H 108 8.322 8.322 8.287 0.035 18323 550 1 2 . 1 1 32 32 MET N N 109 115.699 115.699 117.612 -1.913 18323 551 1 2 . 1 1 32 32 MET HA H 109 4.343 4.343 4.073 0.270 18323 552 1 2 . 1 1 32 32 MET C C 109 179.296 179.296 178.678 0.618 18323 553 1 2 . 1 1 32 32 MET CA C 109 57.004 57.004 58.359 -1.355 18323 554 1 2 . 1 1 32 32 MET CB C 109 29.462 29.462 31.180 -1.718 18323 555 1 2 . 1 1 32 32 MET H H 109 8.397 8.397 8.740 -0.343 18323 556 1 2 . 1 1 33 33 THR N N 110 116.362 116.362 115.574 0.788 18323 557 1 2 . 1 1 33 33 THR C C 110 178.290 178.290 176.753 1.537 18323 558 1 2 . 1 1 33 33 THR CA C 110 66.380 66.380 66.604 -0.224 18323 559 1 2 . 1 1 33 33 THR CB C 110 68.724 68.724 68.317 0.407 18323 560 1 2 . 1 1 33 33 THR H H 110 8.296 8.296 7.948 0.348 18323 561 1 2 . 1 1 34 34 ASN N N 111 122.809 122.809 119.582 3.227 18323 562 1 2 . 1 1 34 34 ASN HA H 111 4.619 4.619 4.442 0.177 18323 563 1 2 . 1 1 34 34 ASN C C 111 176.698 176.698 177.584 -0.886 18323 564 1 2 . 1 1 34 34 ASN CA C 111 55.832 55.832 55.311 0.521 18323 565 1 2 . 1 1 34 34 ASN CB C 111 38.252 38.252 38.344 -0.092 18323 566 1 2 . 1 1 34 34 ASN H H 111 7.936 7.936 8.303 -0.367 18323 567 1 2 . 1 1 35 35 LEU N N 112 118.523 118.523 118.152 0.371 18323 568 1 2 . 1 1 35 35 LEU HA H 112 4.322 4.322 4.074 0.248 18323 569 1 2 . 1 1 35 35 LEU C C 112 177.205 177.205 177.935 -0.730 18323 570 1 2 . 1 1 35 35 LEU CA C 112 55.246 55.246 56.388 -1.142 18323 571 1 2 . 1 1 35 35 LEU CB C 112 42.354 42.354 42.450 -0.096 18323 572 1 2 . 1 1 35 35 LEU H H 112 7.815 7.815 8.113 -0.298 18323 573 1 2 . 1 1 36 36 GLY N N 113 107.203 107.203 104.510 2.693 18323 574 1 2 . 1 1 36 36 GLY C C 113 174.354 174.354 174.039 0.315 18323 575 1 2 . 1 1 36 36 GLY CA C 113 45.284 45.284 44.491 0.793 18323 576 1 2 . 1 1 36 36 GLY H H 113 7.853 7.853 7.626 0.227 18323 577 1 2 . 1 1 37 37 GLU N N 114 120.199 120.199 122.579 -2.380 18323 578 1 2 . 1 1 37 37 GLU HA H 114 4.435 4.435 4.252 0.183 18323 579 1 2 . 1 1 37 37 GLU C C 114 175.359 175.359 176.940 -1.581 18323 580 1 2 . 1 1 37 37 GLU CA C 114 54.660 54.660 55.809 -1.149 18323 581 1 2 . 1 1 37 37 GLU CB C 114 30.634 30.634 29.673 0.961 18323 582 1 2 . 1 1 37 37 GLU H H 114 7.909 7.909 8.132 -0.223 18323 583 1 2 . 1 1 38 38 LYS N N 115 124.425 124.425 126.553 -2.128 18323 584 1 2 . 1 1 38 38 LYS HA H 115 4.372 4.372 4.162 0.210 18323 585 1 2 . 1 1 38 38 LYS C C 115 175.464 175.464 175.645 -0.181 18323 586 1 2 . 1 1 38 38 LYS CA C 115 55.246 55.246 56.157 -0.911 18323 587 1 2 . 1 1 38 38 LYS CB C 115 31.806 31.806 30.519 1.287 18323 588 1 2 . 1 1 38 38 LYS H H 115 8.642 8.642 8.816 -0.174 18323 589 1 2 . 1 1 39 39 LEU N N 116 125.258 125.258 121.373 3.885 18323 590 1 2 . 1 1 39 39 LEU HA H 116 4.742 4.742 4.385 0.357 18323 591 1 2 . 1 1 39 39 LEU C C 116 178.351 178.351 176.574 1.777 18323 592 1 2 . 1 1 39 39 LEU CA C 116 54.074 54.074 55.336 -1.262 18323 593 1 2 . 1 1 39 39 LEU CB C 116 44.112 44.112 42.848 1.264 18323 594 1 2 . 1 1 39 39 LEU H H 116 8.102 8.102 8.159 -0.057 18323 595 1 2 . 1 1 40 40 THR N N 117 114.811 114.811 114.230 0.581 18323 596 1 2 . 1 1 40 40 THR HA H 117 4.744 4.744 4.587 0.157 18323 597 1 2 . 1 1 40 40 THR C C 117 175.522 175.522 174.904 0.618 18323 598 1 2 . 1 1 40 40 THR CA C 117 60.520 60.520 61.274 -0.754 18323 599 1 2 . 1 1 40 40 THR CB C 117 71.068 71.068 71.267 -0.199 18323 600 1 2 . 1 1 40 40 THR H H 117 9.297 9.297 8.384 0.913 18323 601 1 2 . 1 1 41 41 ASP N N 118 121.232 121.232 124.940 -3.708 18323 602 1 2 . 1 1 41 41 ASP C C 118 178.644 178.644 178.176 0.468 18323 603 1 2 . 1 1 41 41 ASP CA C 118 57.590 57.590 57.843 -0.253 18323 604 1 2 . 1 1 41 41 ASP CB C 118 39.424 39.424 40.437 -1.013 18323 605 1 2 . 1 1 41 41 ASP H H 118 8.967 8.967 8.972 -0.005 18323 606 1 2 . 1 1 42 42 GLU N N 119 119.357 119.357 118.831 0.526 18323 607 1 2 . 1 1 42 42 GLU HA H 119 4.051 4.051 4.124 -0.073 18323 608 1 2 . 1 1 42 42 GLU C C 119 178.847 178.847 178.987 -0.140 18323 609 1 2 . 1 1 42 42 GLU CA C 119 59.934 59.934 59.346 0.588 18323 610 1 2 . 1 1 42 42 GLU CB C 119 28.876 28.876 29.407 -0.531 18323 611 1 2 . 1 1 42 42 GLU H H 119 8.679 8.679 8.694 -0.015 18323 612 1 2 . 1 1 43 43 GLU N N 120 118.761 118.761 118.956 -0.195 18323 613 1 2 . 1 1 43 43 GLU HA H 120 4.003 4.003 4.197 -0.194 18323 614 1 2 . 1 1 43 43 GLU C C 120 179.996 179.996 178.854 1.142 18323 615 1 2 . 1 1 43 43 GLU CA C 120 59.348 59.348 58.629 0.719 18323 616 1 2 . 1 1 43 43 GLU CB C 120 30.048 30.048 29.213 0.835 18323 617 1 2 . 1 1 43 43 GLU H H 120 7.998 7.998 8.312 -0.314 18323 618 1 2 . 1 1 44 44 VAL N N 121 121.165 121.165 121.995 -0.830 18323 619 1 2 . 1 1 44 44 VAL HA H 121 3.439 3.439 3.636 -0.197 18323 620 1 2 . 1 1 44 44 VAL C C 121 177.489 177.489 177.916 -0.427 18323 621 1 2 . 1 1 44 44 VAL CA C 121 66.966 66.966 67.057 -0.091 18323 622 1 2 . 1 1 44 44 VAL CB C 121 31.220 31.220 31.829 -0.609 18323 623 1 2 . 1 1 44 44 VAL H H 121 8.051 8.051 8.404 -0.353 18323 624 1 2 . 1 1 45 45 ASP N N 122 119.507 119.507 118.049 1.458 18323 625 1 2 . 1 1 45 45 ASP HA H 122 4.338 4.338 4.277 0.061 18323 626 1 2 . 1 1 45 45 ASP C C 122 179.226 179.226 178.660 0.566 18323 627 1 2 . 1 1 45 45 ASP CA C 122 57.590 57.590 57.358 0.232 18323 628 1 2 . 1 1 45 45 ASP CB C 122 40.596 40.596 40.728 -0.132 18323 629 1 2 . 1 1 45 45 ASP H H 122 8.092 8.092 7.806 0.286 18323 630 1 2 . 1 1 46 46 GLU N N 123 119.871 119.871 119.532 0.339 18323 631 1 2 . 1 1 46 46 GLU HA H 123 4.033 4.033 4.164 -0.131 18323 632 1 2 . 1 1 46 46 GLU C C 123 178.612 178.612 178.761 -0.149 18323 633 1 2 . 1 1 46 46 GLU CA C 123 59.348 59.348 58.586 0.763 18323 634 1 2 . 1 1 46 46 GLU CB C 123 29.462 29.462 29.482 -0.020 18323 635 1 2 . 1 1 46 46 GLU H H 123 8.131 8.131 7.456 0.675 18323 636 1 2 . 1 1 47 47 MET N N 124 119.395 119.395 119.787 -0.392 18323 637 1 2 . 1 1 47 47 MET CA C 124 60.520 60.520 60.493 0.027 18323 638 1 2 . 1 1 47 47 MET CB C 124 32.978 32.978 32.683 0.295 18323 639 1 2 . 1 1 47 47 MET H H 124 7.781 7.781 8.406 -0.625 18323 640 1 2 . 1 1 48 48 ILE HA H 125 4.234 4.234 3.697 0.537 18323 641 1 2 . 1 1 48 48 ILE C C 125 177.530 177.530 178.125 -0.595 18323 642 1 2 . 1 1 48 48 ILE CA C 125 63.450 63.450 65.237 -1.786 18323 643 1 2 . 1 1 48 48 ILE CB C 125 35.908 35.908 37.439 -1.531 18323 644 1 2 . 1 1 49 49 ARG N N 126 118.403 118.403 119.269 -0.866 18323 645 1 2 . 1 1 49 49 ARG HA H 126 4.105 4.105 3.969 0.136 18323 646 1 2 . 1 1 49 49 ARG C C 126 178.928 178.928 178.137 0.791 18323 647 1 2 . 1 1 49 49 ARG CA C 126 59.934 59.934 59.003 0.931 18323 648 1 2 . 1 1 49 49 ARG CB C 126 30.414 30.414 29.683 0.731 18323 649 1 2 . 1 1 49 49 ARG H H 126 8.555 8.555 7.666 0.889 18323 650 1 2 . 1 1 50 50 GLU N N 127 116.347 116.347 117.138 -0.791 18323 651 1 2 . 1 1 50 50 GLU HA H 127 4.039 4.039 4.199 -0.160 18323 652 1 2 . 1 1 50 50 GLU C C 127 176.941 176.941 177.788 -0.847 18323 653 1 2 . 1 1 50 50 GLU CA C 127 58.762 58.762 58.484 0.278 18323 654 1 2 . 1 1 50 50 GLU CB C 127 30.048 30.048 30.208 -0.160 18323 655 1 2 . 1 1 50 50 GLU H H 127 7.990 7.990 7.913 0.077 18323 656 1 2 . 1 1 51 51 ALA N N 128 117.251 117.251 121.276 -4.025 18323 657 1 2 . 1 1 51 51 ALA HA H 128 4.456 4.456 4.140 0.316 18323 658 1 2 . 1 1 51 51 ALA C C 128 177.757 177.757 177.791 -0.034 18323 659 1 2 . 1 1 51 51 ALA CA C 128 51.730 51.730 53.566 -1.836 18323 660 1 2 . 1 1 51 51 ALA CB C 128 21.844 21.844 19.382 2.462 18323 661 1 2 . 1 1 51 51 ALA H H 128 7.126 7.126 7.857 -0.731 18323 662 1 2 . 1 1 52 52 ASP N N 129 117.909 117.909 118.210 -0.301 18323 663 1 2 . 1 1 52 52 ASP HA H 129 4.502 4.502 4.611 -0.109 18323 664 1 2 . 1 1 52 52 ASP C C 129 175.854 175.854 176.394 -0.540 18323 665 1 2 . 1 1 52 52 ASP CA C 129 54.074 54.074 55.452 -1.377 18323 666 1 2 . 1 1 52 52 ASP CB C 129 40.596 40.596 41.478 -0.882 18323 667 1 2 . 1 1 52 52 ASP H H 129 7.962 7.962 8.383 -0.421 18323 668 1 2 . 1 1 53 53 ILE N N 130 127.900 127.900 124.015 3.885 18323 669 1 2 . 1 1 53 53 ILE C C 130 177.995 177.995 177.178 0.817 18323 670 1 2 . 1 1 53 53 ILE CA C 130 63.450 63.450 61.450 2.000 18323 671 1 2 . 1 1 53 53 ILE CB C 130 38.838 38.838 38.257 0.581 18323 672 1 2 . 1 1 53 53 ILE H H 130 8.261 8.261 8.186 0.075 18323 673 1 2 . 1 1 54 54 ASP N N 131 116.678 116.678 119.188 -2.510 18323 674 1 2 . 1 1 54 54 ASP HA H 131 4.541 4.541 4.732 -0.192 18323 675 1 2 . 1 1 54 54 ASP C C 131 178.283 178.283 177.421 0.862 18323 676 1 2 . 1 1 54 54 ASP CA C 131 54.074 54.074 53.402 0.672 18323 677 1 2 . 1 1 54 54 ASP CB C 131 40.010 40.010 42.042 -2.032 18323 678 1 2 . 1 1 54 54 ASP H H 131 8.372 8.372 8.252 0.120 18323 679 1 2 . 1 1 55 55 GLY N N 132 108.866 108.866 109.838 -0.972 18323 680 1 2 . 1 1 55 55 GLY C C 132 175.365 175.365 174.691 0.674 18323 681 1 2 . 1 1 55 55 GLY CA C 132 47.628 47.628 46.183 1.445 18323 682 1 2 . 1 1 55 55 GLY H H 132 7.679 7.679 8.754 -1.075 18323 683 1 2 . 1 1 56 56 ASP N N 133 120.968 120.968 118.615 2.353 18323 684 1 2 . 1 1 56 56 ASP HA H 133 4.493 4.493 4.669 -0.176 18323 685 1 2 . 1 1 56 56 ASP C C 133 177.582 177.582 177.456 0.126 18323 686 1 2 . 1 1 56 56 ASP CA C 133 53.488 53.488 52.461 1.028 18323 687 1 2 . 1 1 56 56 ASP CB C 133 40.010 40.010 40.233 -0.223 18323 688 1 2 . 1 1 56 56 ASP H H 133 8.415 8.415 8.258 0.157 18323 689 1 2 . 1 1 57 57 GLY N N 134 112.821 112.821 108.601 4.220 18323 690 1 2 . 1 1 57 57 GLY C C 134 172.847 172.847 173.323 -0.476 18323 691 1 2 . 1 1 57 57 GLY CA C 134 45.870 45.870 45.949 -0.079 18323 692 1 2 . 1 1 57 57 GLY H H 134 10.300 10.300 8.439 1.861 18323 693 1 2 . 1 1 58 58 GLN N N 135 115.391 115.391 118.084 -2.693 18323 694 1 2 . 1 1 58 58 GLN HA H 135 5.003 5.003 5.138 -0.135 18323 695 1 2 . 1 1 58 58 GLN C C 135 175.019 175.019 174.259 0.760 18323 696 1 2 . 1 1 58 58 GLN CA C 135 52.902 52.902 54.067 -1.165 18323 697 1 2 . 1 1 58 58 GLN CB C 135 32.978 32.978 33.022 -0.043 18323 698 1 2 . 1 1 58 58 GLN H H 135 8.022 8.022 7.381 0.641 18323 699 1 2 . 1 1 59 59 VAL N N 136 125.596 125.596 118.880 6.716 18323 700 1 2 . 1 1 59 59 VAL HA H 136 5.134 5.134 4.736 0.398 18323 701 1 2 . 1 1 59 59 VAL C C 136 175.912 175.912 175.374 0.538 18323 702 1 2 . 1 1 59 59 VAL CA C 136 61.613 61.613 59.215 2.398 18323 703 1 2 . 1 1 59 59 VAL CB C 136 33.694 33.694 34.718 -1.024 18323 704 1 2 . 1 1 59 59 VAL H H 136 9.176 9.176 8.376 0.800 18323 705 1 2 . 1 1 60 60 ASN N N 137 129.229 129.229 124.456 4.773 18323 706 1 2 . 1 1 60 60 ASN HA H 137 5.371 5.371 4.705 0.666 18323 707 1 2 . 1 1 60 60 ASN C C 137 174.805 174.805 176.781 -1.976 18323 708 1 2 . 1 1 60 60 ASN CA C 137 51.144 51.144 53.617 -2.473 18323 709 1 2 . 1 1 60 60 ASN CB C 137 38.252 38.252 38.671 -0.419 18323 710 1 2 . 1 1 60 60 ASN H H 137 9.576 9.576 8.363 1.213 18323 711 1 2 . 1 1 61 61 TYR N N 138 118.597 118.597 119.140 -0.543 18323 712 1 2 . 1 1 61 61 TYR C C 138 176.119 176.119 177.635 -1.516 18323 713 1 2 . 1 1 61 61 TYR CA C 138 62.278 62.278 61.531 0.747 18323 714 1 2 . 1 1 61 61 TYR CB C 138 37.666 37.666 38.130 -0.465 18323 715 1 2 . 1 1 61 61 TYR H H 138 8.268 8.268 8.805 -0.537 18323 716 1 2 . 1 1 62 62 GLU N N 139 118.441 118.441 119.979 -1.538 18323 717 1 2 . 1 1 62 62 GLU HA H 139 4.123 4.123 4.058 0.065 18323 718 1 2 . 1 1 62 62 GLU C C 139 179.189 179.189 178.790 0.399 18323 719 1 2 . 1 1 62 62 GLU CA C 139 59.934 59.934 59.918 0.016 18323 720 1 2 . 1 1 62 62 GLU CB C 139 28.876 28.876 28.562 0.314 18323 721 1 2 . 1 1 62 62 GLU H H 139 8.087 8.087 9.155 -1.068 18323 722 1 2 . 1 1 63 63 GLU N N 140 120.992 120.992 117.953 3.039 18323 723 1 2 . 1 1 63 63 GLU HA H 140 3.914 3.914 4.088 -0.174 18323 724 1 2 . 1 1 63 63 GLU C C 140 179.328 179.328 179.008 0.320 18323 725 1 2 . 1 1 63 63 GLU CA C 140 58.762 58.762 59.292 -0.530 18323 726 1 2 . 1 1 63 63 GLU CB C 140 29.462 29.462 29.216 0.246 18323 727 1 2 . 1 1 63 63 GLU H H 140 7.761 7.761 8.894 -1.133 18323 728 1 2 . 1 1 64 64 PHE N N 141 123.798 123.798 119.148 4.650 18323 729 1 2 . 1 1 64 64 PHE C C 141 176.843 176.843 176.489 0.354 18323 730 1 2 . 1 1 64 64 PHE CA C 141 61.692 61.692 60.956 0.736 18323 731 1 2 . 1 1 64 64 PHE CB C 141 39.917 39.917 39.620 0.298 18323 732 1 2 . 1 1 64 64 PHE H H 141 8.529 8.529 7.488 1.041 18323 733 1 2 . 1 1 65 65 VAL N N 142 119.218 119.218 119.595 -0.377 18323 734 1 2 . 1 1 65 65 VAL C C 142 179.497 179.497 177.899 1.598 18323 735 1 2 . 1 1 65 65 VAL CA C 142 66.966 66.966 65.609 1.357 18323 736 1 2 . 1 1 65 65 VAL CB C 142 31.220 31.220 31.309 -0.089 18323 737 1 2 . 1 1 65 65 VAL H H 142 8.672 8.672 8.693 -0.021 18323 738 1 2 . 1 1 66 66 GLN N N 143 118.362 118.362 120.216 -1.854 18323 739 1 2 . 1 1 66 66 GLN HA H 143 3.845 3.845 4.032 -0.187 18323 740 1 2 . 1 1 66 66 GLN C C 143 177.881 177.881 178.604 -0.723 18323 741 1 2 . 1 1 66 66 GLN CA C 143 58.762 58.762 58.727 0.035 18323 742 1 2 . 1 1 66 66 GLN CB C 143 27.704 27.704 28.743 -1.039 18323 743 1 2 . 1 1 66 66 GLN H H 143 7.550 7.550 8.306 -0.756 18323 744 1 2 . 1 1 67 67 MET N N 144 116.720 116.720 118.820 -2.100 18323 745 1 2 . 1 1 67 67 MET C C 144 177.803 177.803 178.762 -0.959 18323 746 1 2 . 1 1 67 67 MET CA C 144 56.418 56.418 58.476 -2.058 18323 747 1 2 . 1 1 67 67 MET CB C 144 31.806 31.806 32.590 -0.784 18323 748 1 2 . 1 1 67 67 MET H H 144 7.300 7.300 7.599 -0.299 18323 749 1 2 . 1 1 68 68 MET N N 145 116.116 116.116 118.333 -2.217 18323 750 1 2 . 1 1 68 68 MET HA H 145 4.115 4.115 4.127 -0.012 18323 751 1 2 . 1 1 68 68 MET C C 145 177.203 177.203 176.477 0.726 18323 752 1 2 . 1 1 68 68 MET CA C 145 56.418 56.418 57.970 -1.552 18323 753 1 2 . 1 1 68 68 MET CB C 145 31.806 31.806 32.906 -1.100 18323 754 1 2 . 1 1 68 68 MET H H 145 7.732 7.732 7.429 0.303 18323 755 1 2 . 1 1 69 69 THR N N 146 108.868 108.868 108.856 0.012 18323 756 1 2 . 1 1 69 69 THR HA H 146 4.288 4.288 4.491 -0.203 18323 757 1 2 . 1 1 69 69 THR C C 146 174.154 174.154 174.093 0.061 18323 758 1 2 . 1 1 69 69 THR CA C 146 61.692 61.692 59.988 1.704 18323 759 1 2 . 1 1 69 69 THR CB C 146 69.896 69.896 69.366 0.530 18323 760 1 2 . 1 1 69 69 THR H H 146 7.649 7.649 7.239 0.410 18323 761 1 2 . 1 1 70 70 ALA N N 147 126.934 126.934 124.507 2.427 18323 762 1 2 . 1 1 70 70 ALA HA H 147 4.287 4.287 4.110 0.177 18323 763 1 2 . 1 1 70 70 ALA C C 147 176.686 176.686 178.243 -1.557 18323 764 1 2 . 1 1 70 70 ALA CA C 147 52.902 52.902 52.739 0.163 18323 765 1 2 . 1 1 70 70 ALA CB C 147 18.914 18.914 19.373 -0.459 18323 766 1 2 . 1 1 70 70 ALA H H 147 7.546 7.546 7.301 0.245 18323 767 1 3 . 1 1 2 2 THR N N 79 114.287 114.287 116.246 -1.959 18323 768 1 3 . 1 1 2 2 THR HA H 79 4.281 4.281 4.161 0.120 18323 769 1 3 . 1 1 2 2 THR C C 79 174.598 174.598 175.137 -0.539 18323 770 1 3 . 1 1 2 2 THR CA C 79 62.278 62.278 64.171 -1.893 18323 771 1 3 . 1 1 2 2 THR CB C 79 69.310 69.310 69.263 0.047 18323 772 1 3 . 1 1 2 2 THR H H 79 8.299 8.299 8.359 -0.060 18323 773 1 3 . 1 1 3 3 ASP N N 80 122.311 122.311 120.445 1.866 18323 774 1 3 . 1 1 3 3 ASP C C 80 176.788 176.788 177.481 -0.693 18323 775 1 3 . 1 1 3 3 ASP CA C 80 54.660 54.660 54.687 -0.027 18323 776 1 3 . 1 1 3 3 ASP CB C 80 41.182 41.182 41.147 0.035 18323 777 1 3 . 1 1 3 3 ASP H H 80 8.447 8.447 8.356 0.091 18323 778 1 3 . 1 1 4 4 SER N N 81 116.934 116.934 113.786 3.148 18323 779 1 3 . 1 1 4 4 SER HA H 81 4.022 4.022 4.006 0.016 18323 780 1 3 . 1 1 4 4 SER C C 81 175.337 175.337 175.505 -0.168 18323 781 1 3 . 1 1 4 4 SER CA C 81 58.762 58.762 60.562 -1.800 18323 782 1 3 . 1 1 4 4 SER CB C 81 64.036 64.036 61.717 2.319 18323 783 1 3 . 1 1 4 4 SER H H 81 8.351 8.351 8.426 -0.075 18323 784 1 3 . 1 1 5 5 GLU N N 82 123.423 123.423 120.914 2.509 18323 785 1 3 . 1 1 5 5 GLU HA H 82 4.112 4.112 3.962 0.150 18323 786 1 3 . 1 1 5 5 GLU C C 82 178.067 178.067 178.121 -0.054 18323 787 1 3 . 1 1 5 5 GLU CA C 82 59.348 59.348 59.825 -0.477 18323 788 1 3 . 1 1 5 5 GLU CB C 82 46.749 46.749 29.591 17.158 18323 789 1 3 . 1 1 5 5 GLU H H 82 8.588 8.588 8.581 0.007 18323 790 1 3 . 1 1 6 6 GLU N N 83 118.987 118.987 117.670 1.317 18323 791 1 3 . 1 1 6 6 GLU CA C 83 59.348 59.348 59.328 0.021 18323 792 1 3 . 1 1 6 6 GLU CB C 83 29.462 29.462 28.739 0.723 18323 793 1 3 . 1 1 6 6 GLU H H 83 8.412 8.412 8.738 -0.326 18323 794 1 3 . 1 1 7 7 GLU HA H 84 4.116 4.116 4.089 0.027 18323 795 1 3 . 1 1 7 7 GLU C C 84 178.969 178.969 179.232 -0.263 18323 796 1 3 . 1 1 7 7 GLU CA C 84 59.348 59.348 59.319 0.029 18323 797 1 3 . 1 1 7 7 GLU CB C 84 29.462 29.462 29.260 0.202 18323 798 1 3 . 1 1 8 8 ILE N N 85 121.839 121.839 118.637 3.202 18323 799 1 3 . 1 1 8 8 ILE HA H 85 3.917 3.917 3.772 0.145 18323 800 1 3 . 1 1 8 8 ILE C C 85 178.283 178.283 178.844 -0.561 18323 801 1 3 . 1 1 8 8 ILE CA C 85 65.208 65.208 65.396 -0.188 18323 802 1 3 . 1 1 8 8 ILE CB C 85 37.080 37.080 37.937 -0.857 18323 803 1 3 . 1 1 8 8 ILE H H 85 8.001 8.001 7.756 0.245 18323 804 1 3 . 1 1 9 9 ARG N N 86 121.328 121.328 120.042 1.286 18323 805 1 3 . 1 1 9 9 ARG HA H 86 4.260 4.260 4.124 0.136 18323 806 1 3 . 1 1 9 9 ARG C C 86 179.291 179.291 178.662 0.629 18323 807 1 3 . 1 1 9 9 ARG CA C 86 59.934 59.934 60.061 -0.127 18323 808 1 3 . 1 1 9 9 ARG CB C 86 29.462 29.462 29.962 -0.500 18323 809 1 3 . 1 1 9 9 ARG H H 86 8.544 8.544 7.825 0.719 18323 810 1 3 . 1 1 10 10 GLU N N 87 118.332 118.332 118.110 0.222 18323 811 1 3 . 1 1 10 10 GLU HA H 87 4.116 4.116 4.169 -0.053 18323 812 1 3 . 1 1 10 10 GLU C C 87 179.498 179.498 178.519 0.979 18323 813 1 3 . 1 1 10 10 GLU CA C 87 59.348 59.348 58.598 0.750 18323 814 1 3 . 1 1 10 10 GLU CB C 87 29.462 29.462 29.397 0.065 18323 815 1 3 . 1 1 10 10 GLU H H 87 8.225 8.225 8.395 -0.170 18323 816 1 3 . 1 1 11 11 ALA N N 88 121.839 121.839 122.888 -1.049 18323 817 1 3 . 1 1 11 11 ALA HA H 88 4.243 4.243 4.368 -0.125 18323 818 1 3 . 1 1 11 11 ALA C C 88 176.715 176.715 179.342 -2.627 18323 819 1 3 . 1 1 11 11 ALA CA C 88 55.246 55.246 54.861 0.385 18323 820 1 3 . 1 1 11 11 ALA CB C 88 18.136 18.136 18.642 -0.506 18323 821 1 3 . 1 1 11 11 ALA H H 88 8.001 8.001 8.239 -0.238 18323 822 1 3 . 1 1 12 12 PHE N N 89 118.794 118.794 118.980 -0.186 18323 823 1 3 . 1 1 12 12 PHE HA H 89 4.934 4.934 4.046 0.888 18323 824 1 3 . 1 1 12 12 PHE C C 89 177.370 177.370 178.226 -0.856 18323 825 1 3 . 1 1 12 12 PHE CA C 89 62.278 62.278 62.963 -0.685 18323 826 1 3 . 1 1 12 12 PHE CB C 89 39.424 39.424 38.578 0.846 18323 827 1 3 . 1 1 12 12 PHE H H 89 8.630 8.630 8.022 0.608 18323 828 1 3 . 1 1 13 13 ARG N N 90 115.837 115.837 118.476 -2.639 18323 829 1 3 . 1 1 13 13 ARG HA H 90 3.862 3.862 4.070 -0.208 18323 830 1 3 . 1 1 13 13 ARG C C 90 177.590 177.590 178.339 -0.749 18323 831 1 3 . 1 1 13 13 ARG CA C 90 58.762 58.762 58.475 0.287 18323 832 1 3 . 1 1 13 13 ARG CB C 90 30.048 30.048 29.162 0.886 18323 833 1 3 . 1 1 13 13 ARG H H 90 7.891 7.891 7.713 0.178 18323 834 1 3 . 1 1 14 14 VAL N N 91 118.382 118.382 118.547 -0.165 18323 835 1 3 . 1 1 14 14 VAL C C 91 176.343 176.343 178.027 -1.684 18323 836 1 3 . 1 1 14 14 VAL CA C 91 65.794 65.794 65.589 0.205 18323 837 1 3 . 1 1 14 14 VAL CB C 91 31.220 31.220 31.549 -0.329 18323 838 1 3 . 1 1 14 14 VAL H H 91 7.407 7.407 7.233 0.174 18323 839 1 3 . 1 1 15 15 PHE N N 92 114.257 114.257 117.198 -2.941 18323 840 1 3 . 1 1 15 15 PHE HA H 92 4.661 4.661 4.189 0.472 18323 841 1 3 . 1 1 15 15 PHE C C 92 176.378 176.378 177.648 -1.270 18323 842 1 3 . 1 1 15 15 PHE CA C 92 59.934 59.934 60.788 -0.854 18323 843 1 3 . 1 1 15 15 PHE CB C 92 41.182 41.182 38.900 2.283 18323 844 1 3 . 1 1 15 15 PHE H H 92 6.892 6.892 8.247 -1.355 18323 845 1 3 . 1 1 16 16 ASP N N 93 116.288 116.288 119.759 -3.471 18323 846 1 3 . 1 1 16 16 ASP HA H 93 4.617 4.617 4.813 -0.196 18323 847 1 3 . 1 1 16 16 ASP C C 93 177.695 177.695 177.405 0.290 18323 848 1 3 . 1 1 16 16 ASP CA C 93 51.730 51.730 53.428 -1.698 18323 849 1 3 . 1 1 16 16 ASP CB C 93 38.838 38.838 38.969 -0.131 18323 850 1 3 . 1 1 16 16 ASP H H 93 7.847 7.847 8.811 -0.964 18323 851 1 3 . 1 1 17 17 LYS N N 94 125.440 125.440 121.060 4.380 18323 852 1 3 . 1 1 17 17 LYS HA H 94 3.889 3.889 3.915 -0.026 18323 853 1 3 . 1 1 17 17 LYS C C 94 178.290 178.290 177.123 1.167 18323 854 1 3 . 1 1 17 17 LYS CA C 94 58.762 58.762 59.103 -0.341 18323 855 1 3 . 1 1 17 17 LYS CB C 94 32.392 32.392 32.450 -0.058 18323 856 1 3 . 1 1 17 17 LYS H H 94 7.662 7.662 8.414 -0.752 18323 857 1 3 . 1 1 18 18 ASP N N 95 114.292 114.292 115.859 -1.567 18323 858 1 3 . 1 1 18 18 ASP HA H 95 4.567 4.567 4.608 -0.041 18323 859 1 3 . 1 1 18 18 ASP C C 95 177.826 177.826 176.266 1.560 18323 860 1 3 . 1 1 18 18 ASP CA C 95 52.902 52.902 53.655 -0.753 18323 861 1 3 . 1 1 18 18 ASP CB C 95 39.424 39.424 39.494 -0.070 18323 862 1 3 . 1 1 18 18 ASP H H 95 8.336 8.336 8.069 0.267 18323 863 1 3 . 1 1 19 19 GLY N N 96 109.374 109.374 107.255 2.119 18323 864 1 3 . 1 1 19 19 GLY C C 96 175.145 175.145 175.103 0.042 18323 865 1 3 . 1 1 19 19 GLY CA C 96 47.042 47.042 46.249 0.793 18323 866 1 3 . 1 1 19 19 GLY H H 96 7.797 7.797 8.127 -0.330 18323 867 1 3 . 1 1 20 20 ASN N N 97 119.964 119.964 117.642 2.322 18323 868 1 3 . 1 1 20 20 ASN HA H 97 4.670 4.670 4.695 -0.025 18323 869 1 3 . 1 1 20 20 ASN C C 97 176.120 176.120 176.472 -0.352 18323 870 1 3 . 1 1 20 20 ASN CA C 97 52.316 52.316 52.592 -0.276 18323 871 1 3 . 1 1 20 20 ASN CB C 97 38.252 38.252 39.246 -0.994 18323 872 1 3 . 1 1 20 20 ASN H H 97 8.430 8.430 8.576 -0.146 18323 873 1 3 . 1 1 21 21 GLY N N 98 112.726 112.726 107.652 5.074 18323 874 1 3 . 1 1 21 21 GLY C C 98 172.751 172.751 172.746 0.005 18323 875 1 3 . 1 1 21 21 GLY CA C 98 44.698 44.698 45.458 -0.760 18323 876 1 3 . 1 1 21 21 GLY H H 98 10.638 10.638 8.918 1.720 18323 877 1 3 . 1 1 22 22 TYR N N 99 116.415 116.415 115.664 0.751 18323 878 1 3 . 1 1 22 22 TYR C C 99 174.795 174.795 173.467 1.328 18323 879 1 3 . 1 1 22 22 TYR CA C 99 56.418 56.418 56.991 -0.573 18323 880 1 3 . 1 1 22 22 TYR CB C 99 42.940 42.940 42.009 0.931 18323 881 1 3 . 1 1 22 22 TYR H H 99 7.708 7.708 7.479 0.229 18323 882 1 3 . 1 1 23 23 ILE N N 100 127.488 127.488 120.417 7.071 18323 883 1 3 . 1 1 23 23 ILE C C 100 175.543 175.543 175.077 0.466 18323 884 1 3 . 1 1 23 23 ILE CA C 100 61.106 61.106 58.648 2.458 18323 885 1 3 . 1 1 23 23 ILE CB C 100 39.424 39.424 37.865 1.559 18323 886 1 3 . 1 1 23 23 ILE H H 100 10.197 10.197 8.183 2.014 18323 887 1 3 . 1 1 24 24 SER N N 101 123.860 123.860 121.692 2.168 18323 888 1 3 . 1 1 24 24 SER HA H 101 4.973 4.973 4.957 0.016 18323 889 1 3 . 1 1 24 24 SER C C 101 175.300 175.300 175.647 -0.347 18323 890 1 3 . 1 1 24 24 SER CA C 101 55.832 55.832 56.038 -0.206 18323 891 1 3 . 1 1 24 24 SER CB C 101 66.966 66.966 65.258 1.708 18323 892 1 3 . 1 1 24 24 SER H H 101 8.998 8.998 8.867 0.131 18323 893 1 3 . 1 1 25 25 ALA N N 102 123.328 123.328 127.681 -4.353 18323 894 1 3 . 1 1 25 25 ALA HA H 102 3.938 3.938 4.060 -0.122 18323 895 1 3 . 1 1 25 25 ALA C C 102 179.324 179.324 178.779 0.545 18323 896 1 3 . 1 1 25 25 ALA CA C 102 55.832 55.832 55.310 0.522 18323 897 1 3 . 1 1 25 25 ALA CB C 102 17.742 17.742 18.662 -0.920 18323 898 1 3 . 1 1 25 25 ALA H H 102 9.377 9.377 9.076 0.301 18323 899 1 3 . 1 1 26 26 ALA N N 103 118.536 118.536 119.615 -1.079 18323 900 1 3 . 1 1 26 26 ALA HA H 103 4.054 4.054 4.074 -0.020 18323 901 1 3 . 1 1 26 26 ALA C C 103 181.535 181.535 179.847 1.688 18323 902 1 3 . 1 1 26 26 ALA CA C 103 55.246 55.246 54.928 0.318 18323 903 1 3 . 1 1 26 26 ALA CB C 103 18.328 18.328 18.337 -0.009 18323 904 1 3 . 1 1 26 26 ALA H H 103 8.317 8.317 8.044 0.273 18323 905 1 3 . 1 1 27 27 GLU N N 104 120.419 120.419 118.601 1.818 18323 906 1 3 . 1 1 27 27 GLU HA H 104 4.033 4.033 4.041 -0.008 18323 907 1 3 . 1 1 27 27 GLU C C 104 178.950 178.950 179.028 -0.078 18323 908 1 3 . 1 1 27 27 GLU CA C 104 59.348 59.348 59.299 0.049 18323 909 1 3 . 1 1 27 27 GLU CB C 104 28.876 28.876 29.450 -0.574 18323 910 1 3 . 1 1 27 27 GLU H H 104 7.977 7.977 7.695 0.282 18323 911 1 3 . 1 1 28 28 LEU N N 105 120.658 120.658 119.136 1.522 18323 912 1 3 . 1 1 28 28 LEU HA H 105 4.178 4.178 4.243 -0.065 18323 913 1 3 . 1 1 28 28 LEU C C 105 178.402 178.402 179.148 -0.746 18323 914 1 3 . 1 1 28 28 LEU CA C 105 58.176 58.176 57.904 0.272 18323 915 1 3 . 1 1 28 28 LEU CB C 105 41.768 41.768 41.403 0.365 18323 916 1 3 . 1 1 28 28 LEU H H 105 8.500 8.500 7.357 1.143 18323 917 1 3 . 1 1 29 29 ARG N N 106 117.807 117.807 117.718 0.089 18323 918 1 3 . 1 1 29 29 ARG HA H 106 4.042 4.042 3.932 0.110 18323 919 1 3 . 1 1 29 29 ARG C C 106 177.506 177.506 178.414 -0.908 18323 920 1 3 . 1 1 29 29 ARG CA C 106 59.934 59.934 59.436 0.498 18323 921 1 3 . 1 1 29 29 ARG CB C 106 30.634 30.634 29.410 1.224 18323 922 1 3 . 1 1 29 29 ARG H H 106 8.727 8.727 7.705 1.022 18323 923 1 3 . 1 1 30 30 HIS N N 107 119.849 119.849 119.923 -0.074 18323 924 1 3 . 1 1 30 30 HIS C C 107 177.862 177.862 177.531 0.331 18323 925 1 3 . 1 1 30 30 HIS CA C 107 59.934 59.934 59.757 0.177 18323 926 1 3 . 1 1 30 30 HIS CB C 107 30.634 30.634 30.547 0.088 18323 927 1 3 . 1 1 30 30 HIS H H 107 8.030 8.030 7.862 0.168 18323 928 1 3 . 1 1 31 31 VAL N N 108 119.784 119.784 120.205 -0.421 18323 929 1 3 . 1 1 31 31 VAL C C 108 178.437 178.437 177.842 0.595 18323 930 1 3 . 1 1 31 31 VAL CA C 108 66.966 66.966 66.886 0.080 18323 931 1 3 . 1 1 31 31 VAL CB C 108 31.806 31.806 31.777 0.029 18323 932 1 3 . 1 1 31 31 VAL H H 108 8.322 8.322 8.426 -0.104 18323 933 1 3 . 1 1 32 32 MET N N 109 115.699 115.699 117.372 -1.673 18323 934 1 3 . 1 1 32 32 MET HA H 109 4.343 4.343 4.069 0.274 18323 935 1 3 . 1 1 32 32 MET C C 109 179.296 179.296 178.723 0.573 18323 936 1 3 . 1 1 32 32 MET CA C 109 57.004 57.004 58.538 -1.534 18323 937 1 3 . 1 1 32 32 MET CB C 109 29.462 29.462 31.464 -2.002 18323 938 1 3 . 1 1 32 32 MET H H 109 8.397 8.397 8.132 0.265 18323 939 1 3 . 1 1 33 33 THR N N 110 116.362 116.362 115.084 1.278 18323 940 1 3 . 1 1 33 33 THR C C 110 178.290 178.290 176.669 1.621 18323 941 1 3 . 1 1 33 33 THR CA C 110 66.380 66.380 66.690 -0.310 18323 942 1 3 . 1 1 33 33 THR CB C 110 68.724 68.724 68.061 0.663 18323 943 1 3 . 1 1 33 33 THR H H 110 8.296 8.296 7.833 0.463 18323 944 1 3 . 1 1 34 34 ASN N N 111 122.809 122.809 119.929 2.880 18323 945 1 3 . 1 1 34 34 ASN HA H 111 4.619 4.619 4.480 0.139 18323 946 1 3 . 1 1 34 34 ASN C C 111 176.698 176.698 177.649 -0.951 18323 947 1 3 . 1 1 34 34 ASN CA C 111 55.832 55.832 55.486 0.346 18323 948 1 3 . 1 1 34 34 ASN CB C 111 38.252 38.252 38.880 -0.628 18323 949 1 3 . 1 1 34 34 ASN H H 111 7.936 7.936 8.207 -0.271 18323 950 1 3 . 1 1 35 35 LEU N N 112 118.523 118.523 117.956 0.567 18323 951 1 3 . 1 1 35 35 LEU HA H 112 4.322 4.322 4.101 0.221 18323 952 1 3 . 1 1 35 35 LEU C C 112 177.205 177.205 177.814 -0.609 18323 953 1 3 . 1 1 35 35 LEU CA C 112 55.246 55.246 56.584 -1.338 18323 954 1 3 . 1 1 35 35 LEU CB C 112 42.354 42.354 42.505 -0.151 18323 955 1 3 . 1 1 35 35 LEU H H 112 7.815 7.815 8.291 -0.476 18323 956 1 3 . 1 1 36 36 GLY N N 113 107.203 107.203 104.796 2.407 18323 957 1 3 . 1 1 36 36 GLY C C 113 174.354 174.354 173.637 0.717 18323 958 1 3 . 1 1 36 36 GLY CA C 113 45.284 45.284 44.399 0.885 18323 959 1 3 . 1 1 36 36 GLY H H 113 7.853 7.853 7.504 0.349 18323 960 1 3 . 1 1 37 37 GLU N N 114 120.199 120.199 121.457 -1.258 18323 961 1 3 . 1 1 37 37 GLU HA H 114 4.435 4.435 4.565 -0.130 18323 962 1 3 . 1 1 37 37 GLU C C 114 175.359 175.359 175.518 -0.159 18323 963 1 3 . 1 1 37 37 GLU CA C 114 54.660 54.660 53.741 0.919 18323 964 1 3 . 1 1 37 37 GLU CB C 114 30.634 30.634 31.361 -0.727 18323 965 1 3 . 1 1 37 37 GLU H H 114 7.909 7.909 8.444 -0.535 18323 966 1 3 . 1 1 38 38 LYS N N 115 124.425 124.425 127.149 -2.724 18323 967 1 3 . 1 1 38 38 LYS HA H 115 4.372 4.372 4.171 0.201 18323 968 1 3 . 1 1 38 38 LYS C C 115 175.464 175.464 176.211 -0.747 18323 969 1 3 . 1 1 38 38 LYS CA C 115 55.246 55.246 56.163 -0.917 18323 970 1 3 . 1 1 38 38 LYS CB C 115 31.806 31.806 31.574 0.232 18323 971 1 3 . 1 1 38 38 LYS H H 115 8.642 8.642 8.680 -0.038 18323 972 1 3 . 1 1 39 39 LEU N N 116 125.258 125.258 125.551 -0.293 18323 973 1 3 . 1 1 39 39 LEU HA H 116 4.742 4.742 4.367 0.375 18323 974 1 3 . 1 1 39 39 LEU C C 116 178.351 178.351 176.848 1.503 18323 975 1 3 . 1 1 39 39 LEU CA C 116 54.074 54.074 54.783 -0.709 18323 976 1 3 . 1 1 39 39 LEU CB C 116 44.112 44.112 43.289 0.823 18323 977 1 3 . 1 1 39 39 LEU H H 116 8.102 8.102 7.878 0.224 18323 978 1 3 . 1 1 40 40 THR N N 117 114.811 114.811 110.616 4.195 18323 979 1 3 . 1 1 40 40 THR HA H 117 4.744 4.744 4.559 0.185 18323 980 1 3 . 1 1 40 40 THR C C 117 175.522 175.522 174.973 0.549 18323 981 1 3 . 1 1 40 40 THR CA C 117 60.520 60.520 60.623 -0.103 18323 982 1 3 . 1 1 40 40 THR CB C 117 71.068 71.068 71.403 -0.335 18323 983 1 3 . 1 1 40 40 THR H H 117 9.297 9.297 8.491 0.806 18323 984 1 3 . 1 1 41 41 ASP N N 118 121.232 121.232 125.169 -3.937 18323 985 1 3 . 1 1 41 41 ASP C C 118 178.644 178.644 178.276 0.368 18323 986 1 3 . 1 1 41 41 ASP CA C 118 57.590 57.590 57.582 0.008 18323 987 1 3 . 1 1 41 41 ASP CB C 118 39.424 39.424 40.480 -1.056 18323 988 1 3 . 1 1 41 41 ASP H H 118 8.967 8.967 9.047 -0.080 18323 989 1 3 . 1 1 42 42 GLU N N 119 119.357 119.357 118.469 0.888 18323 990 1 3 . 1 1 42 42 GLU HA H 119 4.051 4.051 4.074 -0.023 18323 991 1 3 . 1 1 42 42 GLU C C 119 178.847 178.847 179.074 -0.227 18323 992 1 3 . 1 1 42 42 GLU CA C 119 59.934 59.934 59.663 0.271 18323 993 1 3 . 1 1 42 42 GLU CB C 119 28.876 28.876 29.430 -0.554 18323 994 1 3 . 1 1 42 42 GLU H H 119 8.679 8.679 8.809 -0.130 18323 995 1 3 . 1 1 43 43 GLU N N 120 118.761 118.761 119.804 -1.043 18323 996 1 3 . 1 1 43 43 GLU HA H 120 4.003 4.003 4.087 -0.084 18323 997 1 3 . 1 1 43 43 GLU C C 120 179.996 179.996 179.065 0.931 18323 998 1 3 . 1 1 43 43 GLU CA C 120 59.348 59.348 59.044 0.305 18323 999 1 3 . 1 1 43 43 GLU CB C 120 30.048 30.048 29.754 0.294 18323 1000 1 3 . 1 1 43 43 GLU H H 120 7.998 7.998 7.840 0.158 18323 1001 1 3 . 1 1 44 44 VAL N N 121 121.165 121.165 121.513 -0.348 18323 1002 1 3 . 1 1 44 44 VAL HA H 121 3.439 3.439 3.514 -0.075 18323 1003 1 3 . 1 1 44 44 VAL C C 121 177.489 177.489 177.542 -0.053 18323 1004 1 3 . 1 1 44 44 VAL CA C 121 66.966 66.966 67.328 -0.362 18323 1005 1 3 . 1 1 44 44 VAL CB C 121 31.220 31.220 31.763 -0.543 18323 1006 1 3 . 1 1 44 44 VAL H H 121 8.051 8.051 8.529 -0.478 18323 1007 1 3 . 1 1 45 45 ASP N N 122 119.507 119.507 118.293 1.214 18323 1008 1 3 . 1 1 45 45 ASP HA H 122 4.338 4.338 4.271 0.067 18323 1009 1 3 . 1 1 45 45 ASP C C 122 179.226 179.226 178.704 0.522 18323 1010 1 3 . 1 1 45 45 ASP CA C 122 57.590 57.590 57.409 0.181 18323 1011 1 3 . 1 1 45 45 ASP CB C 122 40.596 40.596 40.671 -0.075 18323 1012 1 3 . 1 1 45 45 ASP H H 122 8.092 8.092 8.149 -0.057 18323 1013 1 3 . 1 1 46 46 GLU N N 123 119.871 119.871 119.624 0.247 18323 1014 1 3 . 1 1 46 46 GLU HA H 123 4.033 4.033 4.084 -0.051 18323 1015 1 3 . 1 1 46 46 GLU C C 123 178.612 178.612 178.919 -0.307 18323 1016 1 3 . 1 1 46 46 GLU CA C 123 59.348 59.348 58.976 0.372 18323 1017 1 3 . 1 1 46 46 GLU CB C 123 29.462 29.462 29.727 -0.265 18323 1018 1 3 . 1 1 46 46 GLU H H 123 8.131 8.131 7.467 0.664 18323 1019 1 3 . 1 1 47 47 MET N N 124 119.395 119.395 119.016 0.379 18323 1020 1 3 . 1 1 47 47 MET CA C 124 60.520 60.520 58.763 1.757 18323 1021 1 3 . 1 1 47 47 MET CB C 124 32.978 32.978 32.052 0.926 18323 1022 1 3 . 1 1 47 47 MET H H 124 7.781 7.781 8.510 -0.729 18323 1023 1 3 . 1 1 48 48 ILE HA H 125 4.234 4.234 3.668 0.566 18323 1024 1 3 . 1 1 48 48 ILE C C 125 177.530 177.530 178.141 -0.611 18323 1025 1 3 . 1 1 48 48 ILE CA C 125 63.450 63.450 65.304 -1.854 18323 1026 1 3 . 1 1 48 48 ILE CB C 125 35.908 35.908 37.425 -1.518 18323 1027 1 3 . 1 1 49 49 ARG N N 126 118.403 118.403 119.342 -0.939 18323 1028 1 3 . 1 1 49 49 ARG HA H 126 4.105 4.105 3.964 0.141 18323 1029 1 3 . 1 1 49 49 ARG C C 126 178.928 178.928 178.105 0.823 18323 1030 1 3 . 1 1 49 49 ARG CA C 126 59.934 59.934 58.995 0.939 18323 1031 1 3 . 1 1 49 49 ARG CB C 126 30.414 30.414 29.723 0.691 18323 1032 1 3 . 1 1 49 49 ARG H H 126 8.555 8.555 7.702 0.853 18323 1033 1 3 . 1 1 50 50 GLU N N 127 116.347 116.347 117.027 -0.680 18323 1034 1 3 . 1 1 50 50 GLU HA H 127 4.039 4.039 4.211 -0.172 18323 1035 1 3 . 1 1 50 50 GLU C C 127 176.941 176.941 177.738 -0.797 18323 1036 1 3 . 1 1 50 50 GLU CA C 127 58.762 58.762 58.405 0.357 18323 1037 1 3 . 1 1 50 50 GLU CB C 127 30.048 30.048 30.255 -0.207 18323 1038 1 3 . 1 1 50 50 GLU H H 127 7.990 7.990 7.935 0.055 18323 1039 1 3 . 1 1 51 51 ALA N N 128 117.251 117.251 121.405 -4.154 18323 1040 1 3 . 1 1 51 51 ALA HA H 128 4.456 4.456 4.125 0.331 18323 1041 1 3 . 1 1 51 51 ALA C C 128 177.757 177.757 177.895 -0.138 18323 1042 1 3 . 1 1 51 51 ALA CA C 128 51.730 51.730 53.768 -2.038 18323 1043 1 3 . 1 1 51 51 ALA CB C 128 21.844 21.844 19.221 2.623 18323 1044 1 3 . 1 1 51 51 ALA H H 128 7.126 7.126 7.917 -0.791 18323 1045 1 3 . 1 1 52 52 ASP N N 129 117.909 117.909 117.794 0.115 18323 1046 1 3 . 1 1 52 52 ASP HA H 129 4.502 4.502 4.596 -0.094 18323 1047 1 3 . 1 1 52 52 ASP C C 129 175.854 175.854 176.114 -0.260 18323 1048 1 3 . 1 1 52 52 ASP CA C 129 54.074 54.074 55.593 -1.519 18323 1049 1 3 . 1 1 52 52 ASP CB C 129 40.596 40.596 41.451 -0.855 18323 1050 1 3 . 1 1 52 52 ASP H H 129 7.962 7.962 8.277 -0.315 18323 1051 1 3 . 1 1 53 53 ILE N N 130 127.900 127.900 123.227 4.673 18323 1052 1 3 . 1 1 53 53 ILE C C 130 177.995 177.995 176.556 1.439 18323 1053 1 3 . 1 1 53 53 ILE CA C 130 63.450 63.450 61.706 1.744 18323 1054 1 3 . 1 1 53 53 ILE CB C 130 38.838 38.838 38.753 0.085 18323 1055 1 3 . 1 1 53 53 ILE H H 130 8.261 8.261 8.206 0.055 18323 1056 1 3 . 1 1 54 54 ASP N N 131 116.678 116.678 118.588 -1.910 18323 1057 1 3 . 1 1 54 54 ASP HA H 131 4.541 4.541 4.795 -0.254 18323 1058 1 3 . 1 1 54 54 ASP C C 131 178.283 178.283 177.092 1.191 18323 1059 1 3 . 1 1 54 54 ASP CA C 131 54.074 54.074 54.168 -0.094 18323 1060 1 3 . 1 1 54 54 ASP CB C 131 40.010 40.010 41.542 -1.532 18323 1061 1 3 . 1 1 54 54 ASP H H 131 8.372 8.372 8.713 -0.341 18323 1062 1 3 . 1 1 55 55 GLY N N 132 108.866 108.866 109.671 -0.805 18323 1063 1 3 . 1 1 55 55 GLY C C 132 175.365 175.365 174.884 0.481 18323 1064 1 3 . 1 1 55 55 GLY CA C 132 47.628 47.628 46.404 1.224 18323 1065 1 3 . 1 1 55 55 GLY H H 132 7.679 7.679 8.830 -1.151 18323 1066 1 3 . 1 1 56 56 ASP N N 133 120.968 120.968 119.835 1.133 18323 1067 1 3 . 1 1 56 56 ASP HA H 133 4.493 4.493 4.613 -0.120 18323 1068 1 3 . 1 1 56 56 ASP C C 133 177.582 177.582 177.674 -0.092 18323 1069 1 3 . 1 1 56 56 ASP CA C 133 53.488 53.488 52.225 1.262 18323 1070 1 3 . 1 1 56 56 ASP CB C 133 40.010 40.010 40.133 -0.123 18323 1071 1 3 . 1 1 56 56 ASP H H 133 8.415 8.415 8.360 0.055 18323 1072 1 3 . 1 1 57 57 GLY N N 134 112.821 112.821 108.316 4.505 18323 1073 1 3 . 1 1 57 57 GLY C C 134 172.847 172.847 173.370 -0.523 18323 1074 1 3 . 1 1 57 57 GLY CA C 134 45.870 45.870 45.913 -0.043 18323 1075 1 3 . 1 1 57 57 GLY H H 134 10.300 10.300 8.388 1.912 18323 1076 1 3 . 1 1 58 58 GLN N N 135 115.391 115.391 117.079 -1.688 18323 1077 1 3 . 1 1 58 58 GLN HA H 135 5.003 5.003 5.135 -0.132 18323 1078 1 3 . 1 1 58 58 GLN C C 135 175.019 175.019 174.180 0.839 18323 1079 1 3 . 1 1 58 58 GLN CA C 135 52.902 52.902 54.293 -1.391 18323 1080 1 3 . 1 1 58 58 GLN CB C 135 32.978 32.978 33.140 -0.162 18323 1081 1 3 . 1 1 58 58 GLN H H 135 8.022 8.022 7.597 0.425 18323 1082 1 3 . 1 1 59 59 VAL N N 136 125.596 125.596 119.001 6.595 18323 1083 1 3 . 1 1 59 59 VAL HA H 136 5.134 5.134 4.886 0.248 18323 1084 1 3 . 1 1 59 59 VAL C C 136 175.912 175.912 174.900 1.012 18323 1085 1 3 . 1 1 59 59 VAL CA C 136 61.613 61.613 59.186 2.427 18323 1086 1 3 . 1 1 59 59 VAL CB C 136 33.694 33.694 34.792 -1.098 18323 1087 1 3 . 1 1 59 59 VAL H H 136 9.176 9.176 8.435 0.741 18323 1088 1 3 . 1 1 60 60 ASN N N 137 129.229 129.229 123.541 5.688 18323 1089 1 3 . 1 1 60 60 ASN HA H 137 5.371 5.371 4.736 0.635 18323 1090 1 3 . 1 1 60 60 ASN C C 137 174.805 174.805 176.848 -2.043 18323 1091 1 3 . 1 1 60 60 ASN CA C 137 51.144 51.144 53.253 -2.109 18323 1092 1 3 . 1 1 60 60 ASN CB C 137 38.252 38.252 39.264 -1.012 18323 1093 1 3 . 1 1 60 60 ASN H H 137 9.576 9.576 8.379 1.197 18323 1094 1 3 . 1 1 61 61 TYR N N 138 118.597 118.597 119.732 -1.135 18323 1095 1 3 . 1 1 61 61 TYR C C 138 176.119 176.119 177.876 -1.757 18323 1096 1 3 . 1 1 61 61 TYR CA C 138 62.278 62.278 62.440 -0.162 18323 1097 1 3 . 1 1 61 61 TYR CB C 138 37.666 37.666 38.211 -0.545 18323 1098 1 3 . 1 1 61 61 TYR H H 138 8.268 8.268 8.940 -0.672 18323 1099 1 3 . 1 1 62 62 GLU N N 139 118.441 118.441 119.841 -1.400 18323 1100 1 3 . 1 1 62 62 GLU HA H 139 4.123 4.123 4.052 0.071 18323 1101 1 3 . 1 1 62 62 GLU C C 139 179.189 179.189 178.971 0.218 18323 1102 1 3 . 1 1 62 62 GLU CA C 139 59.934 59.934 60.477 -0.543 18323 1103 1 3 . 1 1 62 62 GLU CB C 139 28.876 28.876 28.770 0.106 18323 1104 1 3 . 1 1 62 62 GLU H H 139 8.087 8.087 9.114 -1.027 18323 1105 1 3 . 1 1 63 63 GLU N N 140 120.992 120.992 118.746 2.246 18323 1106 1 3 . 1 1 63 63 GLU HA H 140 3.914 3.914 4.064 -0.150 18323 1107 1 3 . 1 1 63 63 GLU C C 140 179.328 179.328 178.784 0.544 18323 1108 1 3 . 1 1 63 63 GLU CA C 140 58.762 58.762 59.336 -0.574 18323 1109 1 3 . 1 1 63 63 GLU CB C 140 29.462 29.462 29.258 0.204 18323 1110 1 3 . 1 1 63 63 GLU H H 140 7.761 7.761 8.857 -1.096 18323 1111 1 3 . 1 1 64 64 PHE N N 141 123.798 123.798 119.293 4.505 18323 1112 1 3 . 1 1 64 64 PHE C C 141 176.843 176.843 176.930 -0.087 18323 1113 1 3 . 1 1 64 64 PHE CA C 141 61.692 61.692 60.931 0.761 18323 1114 1 3 . 1 1 64 64 PHE CB C 141 39.917 39.917 39.353 0.564 18323 1115 1 3 . 1 1 64 64 PHE H H 141 8.529 8.529 7.414 1.115 18323 1116 1 3 . 1 1 65 65 VAL N N 142 119.218 119.218 120.341 -1.123 18323 1117 1 3 . 1 1 65 65 VAL C C 142 179.497 179.497 177.638 1.859 18323 1118 1 3 . 1 1 65 65 VAL CA C 142 66.966 66.966 67.175 -0.209 18323 1119 1 3 . 1 1 65 65 VAL CB C 142 31.220 31.220 31.538 -0.318 18323 1120 1 3 . 1 1 65 65 VAL H H 142 8.672 8.672 8.732 -0.060 18323 1121 1 3 . 1 1 66 66 GLN N N 143 118.362 118.362 117.765 0.597 18323 1122 1 3 . 1 1 66 66 GLN HA H 143 3.845 3.845 3.873 -0.028 18323 1123 1 3 . 1 1 66 66 GLN C C 143 177.881 177.881 179.012 -1.131 18323 1124 1 3 . 1 1 66 66 GLN CA C 143 58.762 58.762 58.774 -0.012 18323 1125 1 3 . 1 1 66 66 GLN CB C 143 27.704 27.704 28.624 -0.920 18323 1126 1 3 . 1 1 66 66 GLN H H 143 7.550 7.550 8.066 -0.516 18323 1127 1 3 . 1 1 67 67 MET N N 144 116.720 116.720 117.984 -1.264 18323 1128 1 3 . 1 1 67 67 MET C C 144 177.803 177.803 178.776 -0.973 18323 1129 1 3 . 1 1 67 67 MET CA C 144 56.418 56.418 57.718 -1.300 18323 1130 1 3 . 1 1 67 67 MET CB C 144 31.806 31.806 31.908 -0.102 18323 1131 1 3 . 1 1 67 67 MET H H 144 7.300 7.300 7.755 -0.455 18323 1132 1 3 . 1 1 68 68 MET N N 145 116.116 116.116 117.128 -1.012 18323 1133 1 3 . 1 1 68 68 MET HA H 145 4.115 4.115 4.068 0.047 18323 1134 1 3 . 1 1 68 68 MET C C 145 177.203 177.203 176.415 0.788 18323 1135 1 3 . 1 1 68 68 MET CA C 145 56.418 56.418 57.625 -1.207 18323 1136 1 3 . 1 1 68 68 MET CB C 145 31.806 31.806 32.517 -0.711 18323 1137 1 3 . 1 1 68 68 MET H H 145 7.732 7.732 8.119 -0.387 18323 1138 1 3 . 1 1 69 69 THR N N 146 108.868 108.868 108.685 0.183 18323 1139 1 3 . 1 1 69 69 THR HA H 146 4.288 4.288 4.507 -0.219 18323 1140 1 3 . 1 1 69 69 THR C C 146 174.154 174.154 174.186 -0.032 18323 1141 1 3 . 1 1 69 69 THR CA C 146 61.692 61.692 60.136 1.556 18323 1142 1 3 . 1 1 69 69 THR CB C 146 69.896 69.896 69.201 0.695 18323 1143 1 3 . 1 1 69 69 THR H H 146 7.649 7.649 7.561 0.088 18323 1144 1 3 . 1 1 70 70 ALA N N 147 126.934 126.934 124.655 2.279 18323 1145 1 3 . 1 1 70 70 ALA HA H 147 4.287 4.287 4.220 0.067 18323 1146 1 3 . 1 1 70 70 ALA C C 147 176.686 176.686 177.452 -0.766 18323 1147 1 3 . 1 1 70 70 ALA CA C 147 52.902 52.902 52.678 0.224 18323 1148 1 3 . 1 1 70 70 ALA CB C 147 18.914 18.914 19.379 -0.465 18323 1149 1 3 . 1 1 70 70 ALA H H 147 7.546 7.546 7.527 0.019 18323 1150 1 4 . 1 1 2 2 THR N N 79 114.287 114.287 116.313 -2.026 18323 1151 1 4 . 1 1 2 2 THR HA H 79 4.281 4.281 4.423 -0.142 18323 1152 1 4 . 1 1 2 2 THR C C 79 174.598 174.598 174.610 -0.012 18323 1153 1 4 . 1 1 2 2 THR CA C 79 62.278 62.278 61.460 0.818 18323 1154 1 4 . 1 1 2 2 THR CB C 79 69.310 69.310 69.945 -0.635 18323 1155 1 4 . 1 1 2 2 THR H H 79 8.299 8.299 7.789 0.510 18323 1156 1 4 . 1 1 3 3 ASP N N 80 122.311 122.311 119.500 2.811 18323 1157 1 4 . 1 1 3 3 ASP C C 80 176.788 176.788 176.707 0.081 18323 1158 1 4 . 1 1 3 3 ASP CA C 80 54.660 54.660 54.458 0.202 18323 1159 1 4 . 1 1 3 3 ASP CB C 80 41.182 41.182 40.699 0.483 18323 1160 1 4 . 1 1 3 3 ASP H H 80 8.447 8.447 8.540 -0.093 18323 1161 1 4 . 1 1 4 4 SER N N 81 116.934 116.934 116.062 0.872 18323 1162 1 4 . 1 1 4 4 SER HA H 81 4.022 4.022 4.434 -0.412 18323 1163 1 4 . 1 1 4 4 SER C C 81 175.337 175.337 174.836 0.501 18323 1164 1 4 . 1 1 4 4 SER CA C 81 58.762 58.762 56.445 2.317 18323 1165 1 4 . 1 1 4 4 SER CB C 81 64.036 64.036 62.304 1.732 18323 1166 1 4 . 1 1 4 4 SER H H 81 8.351 8.351 8.007 0.344 18323 1167 1 4 . 1 1 5 5 GLU N N 82 123.423 123.423 125.083 -1.660 18323 1168 1 4 . 1 1 5 5 GLU HA H 82 4.112 4.112 3.854 0.258 18323 1169 1 4 . 1 1 5 5 GLU C C 82 178.067 178.067 178.062 0.005 18323 1170 1 4 . 1 1 5 5 GLU CA C 82 59.348 59.348 59.742 -0.394 18323 1171 1 4 . 1 1 5 5 GLU CB C 82 46.749 46.749 29.779 16.971 18323 1172 1 4 . 1 1 5 5 GLU H H 82 8.588 8.588 7.983 0.605 18323 1173 1 4 . 1 1 6 6 GLU N N 83 118.987 118.987 119.506 -0.519 18323 1174 1 4 . 1 1 6 6 GLU CA C 83 59.348 59.348 59.366 -0.018 18323 1175 1 4 . 1 1 6 6 GLU CB C 83 29.462 29.462 29.162 0.300 18323 1176 1 4 . 1 1 6 6 GLU H H 83 8.412 8.412 8.386 0.026 18323 1177 1 4 . 1 1 7 7 GLU HA H 84 4.116 4.116 4.067 0.049 18323 1178 1 4 . 1 1 7 7 GLU C C 84 178.969 178.969 179.041 -0.072 18323 1179 1 4 . 1 1 7 7 GLU CA C 84 59.348 59.348 59.177 0.171 18323 1180 1 4 . 1 1 7 7 GLU CB C 84 29.462 29.462 29.472 -0.010 18323 1181 1 4 . 1 1 8 8 ILE N N 85 121.839 121.839 118.545 3.294 18323 1182 1 4 . 1 1 8 8 ILE HA H 85 3.917 3.917 3.813 0.104 18323 1183 1 4 . 1 1 8 8 ILE C C 85 178.283 178.283 178.685 -0.402 18323 1184 1 4 . 1 1 8 8 ILE CA C 85 65.208 65.208 65.127 0.081 18323 1185 1 4 . 1 1 8 8 ILE CB C 85 37.080 37.080 38.034 -0.954 18323 1186 1 4 . 1 1 8 8 ILE H H 85 8.001 8.001 7.441 0.560 18323 1187 1 4 . 1 1 9 9 ARG N N 86 121.328 121.328 120.170 1.158 18323 1188 1 4 . 1 1 9 9 ARG HA H 86 4.260 4.260 4.040 0.220 18323 1189 1 4 . 1 1 9 9 ARG C C 86 179.291 179.291 178.512 0.779 18323 1190 1 4 . 1 1 9 9 ARG CA C 86 59.934 59.934 60.120 -0.186 18323 1191 1 4 . 1 1 9 9 ARG CB C 86 29.462 29.462 29.932 -0.470 18323 1192 1 4 . 1 1 9 9 ARG H H 86 8.544 8.544 8.316 0.228 18323 1193 1 4 . 1 1 10 10 GLU N N 87 118.332 118.332 118.173 0.159 18323 1194 1 4 . 1 1 10 10 GLU HA H 87 4.116 4.116 4.087 0.029 18323 1195 1 4 . 1 1 10 10 GLU C C 87 179.498 179.498 178.312 1.186 18323 1196 1 4 . 1 1 10 10 GLU CA C 87 59.348 59.348 58.485 0.863 18323 1197 1 4 . 1 1 10 10 GLU CB C 87 29.462 29.462 29.341 0.121 18323 1198 1 4 . 1 1 10 10 GLU H H 87 8.225 8.225 7.953 0.272 18323 1199 1 4 . 1 1 11 11 ALA N N 88 121.839 121.839 122.832 -0.993 18323 1200 1 4 . 1 1 11 11 ALA HA H 88 4.243 4.243 3.737 0.506 18323 1201 1 4 . 1 1 11 11 ALA C C 88 176.715 176.715 178.589 -1.874 18323 1202 1 4 . 1 1 11 11 ALA CA C 88 55.246 55.246 54.441 0.805 18323 1203 1 4 . 1 1 11 11 ALA CB C 88 18.136 18.136 18.359 -0.223 18323 1204 1 4 . 1 1 11 11 ALA H H 88 8.001 8.001 8.174 -0.173 18323 1205 1 4 . 1 1 12 12 PHE N N 89 118.794 118.794 118.674 0.120 18323 1206 1 4 . 1 1 12 12 PHE HA H 89 4.934 4.934 3.946 0.988 18323 1207 1 4 . 1 1 12 12 PHE C C 89 177.370 177.370 178.046 -0.676 18323 1208 1 4 . 1 1 12 12 PHE CA C 89 62.278 62.278 62.607 -0.329 18323 1209 1 4 . 1 1 12 12 PHE CB C 89 39.424 39.424 38.298 1.126 18323 1210 1 4 . 1 1 12 12 PHE H H 89 8.630 8.630 7.939 0.691 18323 1211 1 4 . 1 1 13 13 ARG N N 90 115.837 115.837 117.596 -1.759 18323 1212 1 4 . 1 1 13 13 ARG HA H 90 3.862 3.862 3.956 -0.094 18323 1213 1 4 . 1 1 13 13 ARG C C 90 177.590 177.590 177.775 -0.185 18323 1214 1 4 . 1 1 13 13 ARG CA C 90 58.762 58.762 59.626 -0.864 18323 1215 1 4 . 1 1 13 13 ARG CB C 90 30.048 30.048 29.933 0.115 18323 1216 1 4 . 1 1 13 13 ARG H H 90 7.891 7.891 7.483 0.408 18323 1217 1 4 . 1 1 14 14 VAL N N 91 118.382 118.382 117.754 0.628 18323 1218 1 4 . 1 1 14 14 VAL C C 91 176.343 176.343 178.116 -1.773 18323 1219 1 4 . 1 1 14 14 VAL CA C 91 65.794 65.794 65.566 0.228 18323 1220 1 4 . 1 1 14 14 VAL CB C 91 31.220 31.220 31.708 -0.488 18323 1221 1 4 . 1 1 14 14 VAL H H 91 7.407 7.407 7.036 0.371 18323 1222 1 4 . 1 1 15 15 PHE N N 92 114.257 114.257 116.603 -2.346 18323 1223 1 4 . 1 1 15 15 PHE HA H 92 4.661 4.661 4.224 0.437 18323 1224 1 4 . 1 1 15 15 PHE C C 92 176.378 176.378 177.627 -1.249 18323 1225 1 4 . 1 1 15 15 PHE CA C 92 59.934 59.934 57.172 2.762 18323 1226 1 4 . 1 1 15 15 PHE CB C 92 41.182 41.182 38.080 3.102 18323 1227 1 4 . 1 1 15 15 PHE H H 92 6.892 6.892 7.472 -0.580 18323 1228 1 4 . 1 1 16 16 ASP N N 93 116.288 116.288 120.312 -4.024 18323 1229 1 4 . 1 1 16 16 ASP HA H 93 4.617 4.617 4.810 -0.193 18323 1230 1 4 . 1 1 16 16 ASP C C 93 177.695 177.695 177.727 -0.032 18323 1231 1 4 . 1 1 16 16 ASP CA C 93 51.730 51.730 53.579 -1.849 18323 1232 1 4 . 1 1 16 16 ASP CB C 93 38.838 38.838 39.143 -0.305 18323 1233 1 4 . 1 1 16 16 ASP H H 93 7.847 7.847 8.680 -0.833 18323 1234 1 4 . 1 1 17 17 LYS N N 94 125.440 125.440 123.099 2.341 18323 1235 1 4 . 1 1 17 17 LYS HA H 94 3.889 3.889 4.047 -0.158 18323 1236 1 4 . 1 1 17 17 LYS C C 94 178.290 178.290 177.408 0.882 18323 1237 1 4 . 1 1 17 17 LYS CA C 94 58.762 58.762 58.809 -0.047 18323 1238 1 4 . 1 1 17 17 LYS CB C 94 32.392 32.392 32.573 -0.181 18323 1239 1 4 . 1 1 17 17 LYS H H 94 7.662 7.662 8.791 -1.129 18323 1240 1 4 . 1 1 18 18 ASP N N 95 114.292 114.292 116.421 -2.129 18323 1241 1 4 . 1 1 18 18 ASP HA H 95 4.567 4.567 4.743 -0.176 18323 1242 1 4 . 1 1 18 18 ASP C C 95 177.826 177.826 175.810 2.016 18323 1243 1 4 . 1 1 18 18 ASP CA C 95 52.902 52.902 53.327 -0.425 18323 1244 1 4 . 1 1 18 18 ASP CB C 95 39.424 39.424 39.910 -0.486 18323 1245 1 4 . 1 1 18 18 ASP H H 95 8.336 8.336 8.264 0.072 18323 1246 1 4 . 1 1 19 19 GLY N N 96 109.374 109.374 108.302 1.072 18323 1247 1 4 . 1 1 19 19 GLY C C 96 175.145 175.145 175.144 0.001 18323 1248 1 4 . 1 1 19 19 GLY CA C 96 47.042 47.042 46.367 0.675 18323 1249 1 4 . 1 1 19 19 GLY H H 96 7.797 7.797 8.243 -0.446 18323 1250 1 4 . 1 1 20 20 ASN N N 97 119.964 119.964 118.290 1.674 18323 1251 1 4 . 1 1 20 20 ASN HA H 97 4.670 4.670 4.670 -0.000 18323 1252 1 4 . 1 1 20 20 ASN C C 97 176.120 176.120 176.593 -0.473 18323 1253 1 4 . 1 1 20 20 ASN CA C 97 52.316 52.316 52.163 0.153 18323 1254 1 4 . 1 1 20 20 ASN CB C 97 38.252 38.252 39.107 -0.855 18323 1255 1 4 . 1 1 20 20 ASN H H 97 8.430 8.430 8.587 -0.157 18323 1256 1 4 . 1 1 21 21 GLY N N 98 112.726 112.726 107.525 5.201 18323 1257 1 4 . 1 1 21 21 GLY C C 98 172.751 172.751 172.710 0.041 18323 1258 1 4 . 1 1 21 21 GLY CA C 98 44.698 44.698 45.622 -0.924 18323 1259 1 4 . 1 1 21 21 GLY H H 98 10.638 10.638 8.981 1.657 18323 1260 1 4 . 1 1 22 22 TYR N N 99 116.415 116.415 115.172 1.243 18323 1261 1 4 . 1 1 22 22 TYR C C 99 174.795 174.795 174.326 0.469 18323 1262 1 4 . 1 1 22 22 TYR CA C 99 56.418 56.418 56.377 0.041 18323 1263 1 4 . 1 1 22 22 TYR CB C 99 42.940 42.940 42.109 0.831 18323 1264 1 4 . 1 1 22 22 TYR H H 99 7.708 7.708 8.355 -0.647 18323 1265 1 4 . 1 1 23 23 ILE N N 100 127.488 127.488 122.414 5.074 18323 1266 1 4 . 1 1 23 23 ILE C C 100 175.543 175.543 175.344 0.199 18323 1267 1 4 . 1 1 23 23 ILE CA C 100 61.106 61.106 59.282 1.824 18323 1268 1 4 . 1 1 23 23 ILE CB C 100 39.424 39.424 37.219 2.205 18323 1269 1 4 . 1 1 23 23 ILE H H 100 10.197 10.197 8.717 1.480 18323 1270 1 4 . 1 1 24 24 SER N N 101 123.860 123.860 122.301 1.559 18323 1271 1 4 . 1 1 24 24 SER HA H 101 4.973 4.973 4.734 0.239 18323 1272 1 4 . 1 1 24 24 SER C C 101 175.300 175.300 175.363 -0.063 18323 1273 1 4 . 1 1 24 24 SER CA C 101 55.832 55.832 55.964 -0.132 18323 1274 1 4 . 1 1 24 24 SER CB C 101 66.966 66.966 65.448 1.518 18323 1275 1 4 . 1 1 24 24 SER H H 101 8.998 8.998 8.753 0.245 18323 1276 1 4 . 1 1 25 25 ALA N N 102 123.328 123.328 127.077 -3.749 18323 1277 1 4 . 1 1 25 25 ALA HA H 102 3.938 3.938 4.073 -0.135 18323 1278 1 4 . 1 1 25 25 ALA C C 102 179.324 179.324 178.853 0.471 18323 1279 1 4 . 1 1 25 25 ALA CA C 102 55.832 55.832 55.217 0.615 18323 1280 1 4 . 1 1 25 25 ALA CB C 102 17.742 17.742 18.645 -0.903 18323 1281 1 4 . 1 1 25 25 ALA H H 102 9.377 9.377 8.894 0.483 18323 1282 1 4 . 1 1 26 26 ALA N N 103 118.536 118.536 120.032 -1.496 18323 1283 1 4 . 1 1 26 26 ALA HA H 103 4.054 4.054 4.015 0.039 18323 1284 1 4 . 1 1 26 26 ALA C C 103 181.535 181.535 179.660 1.875 18323 1285 1 4 . 1 1 26 26 ALA CA C 103 55.246 55.246 55.165 0.081 18323 1286 1 4 . 1 1 26 26 ALA CB C 103 18.328 18.328 18.207 0.121 18323 1287 1 4 . 1 1 26 26 ALA H H 103 8.317 8.317 7.815 0.502 18323 1288 1 4 . 1 1 27 27 GLU N N 104 120.419 120.419 118.443 1.976 18323 1289 1 4 . 1 1 27 27 GLU HA H 104 4.033 4.033 4.049 -0.016 18323 1290 1 4 . 1 1 27 27 GLU C C 104 178.950 178.950 179.012 -0.062 18323 1291 1 4 . 1 1 27 27 GLU CA C 104 59.348 59.348 59.355 -0.007 18323 1292 1 4 . 1 1 27 27 GLU CB C 104 28.876 28.876 29.284 -0.408 18323 1293 1 4 . 1 1 27 27 GLU H H 104 7.977 7.977 7.746 0.231 18323 1294 1 4 . 1 1 28 28 LEU N N 105 120.658 120.658 119.188 1.470 18323 1295 1 4 . 1 1 28 28 LEU HA H 105 4.178 4.178 3.958 0.220 18323 1296 1 4 . 1 1 28 28 LEU C C 105 178.402 178.402 179.011 -0.609 18323 1297 1 4 . 1 1 28 28 LEU CA C 105 58.176 58.176 57.735 0.441 18323 1298 1 4 . 1 1 28 28 LEU CB C 105 41.768 41.768 41.289 0.479 18323 1299 1 4 . 1 1 28 28 LEU H H 105 8.500 8.500 7.275 1.225 18323 1300 1 4 . 1 1 29 29 ARG N N 106 117.807 117.807 118.023 -0.216 18323 1301 1 4 . 1 1 29 29 ARG HA H 106 4.042 4.042 3.920 0.122 18323 1302 1 4 . 1 1 29 29 ARG C C 106 177.506 177.506 178.501 -0.995 18323 1303 1 4 . 1 1 29 29 ARG CA C 106 59.934 59.934 59.221 0.713 18323 1304 1 4 . 1 1 29 29 ARG CB C 106 30.634 30.634 29.382 1.252 18323 1305 1 4 . 1 1 29 29 ARG H H 106 8.727 8.727 7.796 0.931 18323 1306 1 4 . 1 1 30 30 HIS N N 107 119.849 119.849 119.799 0.050 18323 1307 1 4 . 1 1 30 30 HIS C C 107 177.862 177.862 177.651 0.211 18323 1308 1 4 . 1 1 30 30 HIS CA C 107 59.934 59.934 59.880 0.054 18323 1309 1 4 . 1 1 30 30 HIS CB C 107 30.634 30.634 30.939 -0.305 18323 1310 1 4 . 1 1 30 30 HIS H H 107 8.030 8.030 7.938 0.092 18323 1311 1 4 . 1 1 31 31 VAL N N 108 119.784 119.784 120.784 -1.000 18323 1312 1 4 . 1 1 31 31 VAL C C 108 178.437 178.437 178.131 0.306 18323 1313 1 4 . 1 1 31 31 VAL CA C 108 66.966 66.966 66.326 0.640 18323 1314 1 4 . 1 1 31 31 VAL CB C 108 31.806 31.806 32.095 -0.289 18323 1315 1 4 . 1 1 31 31 VAL H H 108 8.322 8.322 8.310 0.012 18323 1316 1 4 . 1 1 32 32 MET N N 109 115.699 115.699 117.434 -1.735 18323 1317 1 4 . 1 1 32 32 MET HA H 109 4.343 4.343 4.126 0.217 18323 1318 1 4 . 1 1 32 32 MET C C 109 179.296 179.296 178.732 0.564 18323 1319 1 4 . 1 1 32 32 MET CA C 109 57.004 57.004 58.127 -1.123 18323 1320 1 4 . 1 1 32 32 MET CB C 109 29.462 29.462 31.189 -1.727 18323 1321 1 4 . 1 1 32 32 MET H H 109 8.397 8.397 8.589 -0.192 18323 1322 1 4 . 1 1 33 33 THR N N 110 116.362 116.362 116.088 0.274 18323 1323 1 4 . 1 1 33 33 THR C C 110 178.290 178.290 176.592 1.698 18323 1324 1 4 . 1 1 33 33 THR CA C 110 66.380 66.380 66.171 0.209 18323 1325 1 4 . 1 1 33 33 THR CB C 110 68.724 68.724 68.615 0.109 18323 1326 1 4 . 1 1 33 33 THR H H 110 8.296 8.296 7.836 0.460 18323 1327 1 4 . 1 1 34 34 ASN N N 111 122.809 122.809 119.133 3.676 18323 1328 1 4 . 1 1 34 34 ASN HA H 111 4.619 4.619 4.409 0.210 18323 1329 1 4 . 1 1 34 34 ASN C C 111 176.698 176.698 177.263 -0.565 18323 1330 1 4 . 1 1 34 34 ASN CA C 111 55.832 55.832 55.308 0.524 18323 1331 1 4 . 1 1 34 34 ASN CB C 111 38.252 38.252 38.153 0.099 18323 1332 1 4 . 1 1 34 34 ASN H H 111 7.936 7.936 8.189 -0.253 18323 1333 1 4 . 1 1 35 35 LEU N N 112 118.523 118.523 118.121 0.402 18323 1334 1 4 . 1 1 35 35 LEU HA H 112 4.322 4.322 4.110 0.212 18323 1335 1 4 . 1 1 35 35 LEU C C 112 177.205 177.205 178.014 -0.809 18323 1336 1 4 . 1 1 35 35 LEU CA C 112 55.246 55.246 56.411 -1.165 18323 1337 1 4 . 1 1 35 35 LEU CB C 112 42.354 42.354 42.545 -0.191 18323 1338 1 4 . 1 1 35 35 LEU H H 112 7.815 7.815 8.115 -0.300 18323 1339 1 4 . 1 1 36 36 GLY N N 113 107.203 107.203 104.638 2.565 18323 1340 1 4 . 1 1 36 36 GLY C C 113 174.354 174.354 174.096 0.258 18323 1341 1 4 . 1 1 36 36 GLY CA C 113 45.284 45.284 44.487 0.797 18323 1342 1 4 . 1 1 36 36 GLY H H 113 7.853 7.853 7.727 0.126 18323 1343 1 4 . 1 1 37 37 GLU N N 114 120.199 120.199 122.621 -2.422 18323 1344 1 4 . 1 1 37 37 GLU HA H 114 4.435 4.435 4.193 0.242 18323 1345 1 4 . 1 1 37 37 GLU C C 114 175.359 175.359 176.962 -1.603 18323 1346 1 4 . 1 1 37 37 GLU CA C 114 54.660 54.660 56.075 -1.415 18323 1347 1 4 . 1 1 37 37 GLU CB C 114 30.634 30.634 29.838 0.796 18323 1348 1 4 . 1 1 37 37 GLU H H 114 7.909 7.909 8.184 -0.275 18323 1349 1 4 . 1 1 38 38 LYS N N 115 124.425 124.425 126.863 -2.438 18323 1350 1 4 . 1 1 38 38 LYS HA H 115 4.372 4.372 4.166 0.206 18323 1351 1 4 . 1 1 38 38 LYS C C 115 175.464 175.464 176.470 -1.006 18323 1352 1 4 . 1 1 38 38 LYS CA C 115 55.246 55.246 56.026 -0.780 18323 1353 1 4 . 1 1 38 38 LYS CB C 115 31.806 31.806 31.014 0.792 18323 1354 1 4 . 1 1 38 38 LYS H H 115 8.642 8.642 8.726 -0.084 18323 1355 1 4 . 1 1 39 39 LEU N N 116 125.258 125.258 122.384 2.874 18323 1356 1 4 . 1 1 39 39 LEU HA H 116 4.742 4.742 4.258 0.484 18323 1357 1 4 . 1 1 39 39 LEU C C 116 178.351 178.351 176.452 1.899 18323 1358 1 4 . 1 1 39 39 LEU CA C 116 54.074 54.074 55.293 -1.219 18323 1359 1 4 . 1 1 39 39 LEU CB C 116 44.112 44.112 42.918 1.194 18323 1360 1 4 . 1 1 39 39 LEU H H 116 8.102 8.102 8.235 -0.133 18323 1361 1 4 . 1 1 40 40 THR N N 117 114.811 114.811 112.339 2.472 18323 1362 1 4 . 1 1 40 40 THR HA H 117 4.744 4.744 4.531 0.213 18323 1363 1 4 . 1 1 40 40 THR C C 117 175.522 175.522 174.583 0.939 18323 1364 1 4 . 1 1 40 40 THR CA C 117 60.520 60.520 60.661 -0.141 18323 1365 1 4 . 1 1 40 40 THR CB C 117 71.068 71.068 70.547 0.521 18323 1366 1 4 . 1 1 40 40 THR H H 117 9.297 9.297 8.040 1.257 18323 1367 1 4 . 1 1 41 41 ASP N N 118 121.232 121.232 124.755 -3.523 18323 1368 1 4 . 1 1 41 41 ASP C C 118 178.644 178.644 178.190 0.454 18323 1369 1 4 . 1 1 41 41 ASP CA C 118 57.590 57.590 57.669 -0.079 18323 1370 1 4 . 1 1 41 41 ASP CB C 118 39.424 39.424 40.428 -1.004 18323 1371 1 4 . 1 1 41 41 ASP H H 118 8.967 8.967 8.982 -0.015 18323 1372 1 4 . 1 1 42 42 GLU N N 119 119.357 119.357 117.397 1.960 18323 1373 1 4 . 1 1 42 42 GLU HA H 119 4.051 4.051 3.971 0.080 18323 1374 1 4 . 1 1 42 42 GLU C C 119 178.847 178.847 178.838 0.009 18323 1375 1 4 . 1 1 42 42 GLU CA C 119 59.934 59.934 59.489 0.445 18323 1376 1 4 . 1 1 42 42 GLU CB C 119 28.876 28.876 29.316 -0.440 18323 1377 1 4 . 1 1 42 42 GLU H H 119 8.679 8.679 8.744 -0.065 18323 1378 1 4 . 1 1 43 43 GLU N N 120 118.761 118.761 119.038 -0.277 18323 1379 1 4 . 1 1 43 43 GLU HA H 120 4.003 4.003 4.174 -0.171 18323 1380 1 4 . 1 1 43 43 GLU C C 120 179.996 179.996 178.783 1.213 18323 1381 1 4 . 1 1 43 43 GLU CA C 120 59.348 59.348 58.777 0.571 18323 1382 1 4 . 1 1 43 43 GLU CB C 120 30.048 30.048 28.865 1.183 18323 1383 1 4 . 1 1 43 43 GLU H H 120 7.998 7.998 7.525 0.473 18323 1384 1 4 . 1 1 44 44 VAL N N 121 121.165 121.165 121.990 -0.825 18323 1385 1 4 . 1 1 44 44 VAL HA H 121 3.439 3.439 3.607 -0.168 18323 1386 1 4 . 1 1 44 44 VAL C C 121 177.489 177.489 177.533 -0.044 18323 1387 1 4 . 1 1 44 44 VAL CA C 121 66.966 66.966 67.276 -0.310 18323 1388 1 4 . 1 1 44 44 VAL CB C 121 31.220 31.220 31.504 -0.284 18323 1389 1 4 . 1 1 44 44 VAL H H 121 8.051 8.051 8.084 -0.033 18323 1390 1 4 . 1 1 45 45 ASP N N 122 119.507 119.507 118.323 1.184 18323 1391 1 4 . 1 1 45 45 ASP HA H 122 4.338 4.338 4.244 0.094 18323 1392 1 4 . 1 1 45 45 ASP C C 122 179.226 179.226 178.849 0.377 18323 1393 1 4 . 1 1 45 45 ASP CA C 122 57.590 57.590 57.590 0.000 18323 1394 1 4 . 1 1 45 45 ASP CB C 122 40.596 40.596 40.742 -0.146 18323 1395 1 4 . 1 1 45 45 ASP H H 122 8.092 8.092 7.985 0.107 18323 1396 1 4 . 1 1 46 46 GLU N N 123 119.871 119.871 119.534 0.337 18323 1397 1 4 . 1 1 46 46 GLU HA H 123 4.033 4.033 4.154 -0.121 18323 1398 1 4 . 1 1 46 46 GLU C C 123 178.612 178.612 178.594 0.018 18323 1399 1 4 . 1 1 46 46 GLU CA C 123 59.348 59.348 58.308 1.040 18323 1400 1 4 . 1 1 46 46 GLU CB C 123 29.462 29.462 29.563 -0.101 18323 1401 1 4 . 1 1 46 46 GLU H H 123 8.131 8.131 7.488 0.643 18323 1402 1 4 . 1 1 47 47 MET N N 124 119.395 119.395 121.209 -1.814 18323 1403 1 4 . 1 1 47 47 MET CA C 124 60.520 60.520 59.921 0.599 18323 1404 1 4 . 1 1 47 47 MET CB C 124 32.978 32.978 32.576 0.402 18323 1405 1 4 . 1 1 47 47 MET H H 124 7.781 7.781 8.426 -0.645 18323 1406 1 4 . 1 1 48 48 ILE HA H 125 4.234 4.234 3.681 0.553 18323 1407 1 4 . 1 1 48 48 ILE C C 125 177.530 177.530 178.056 -0.526 18323 1408 1 4 . 1 1 48 48 ILE CA C 125 63.450 63.450 65.362 -1.912 18323 1409 1 4 . 1 1 48 48 ILE CB C 125 35.908 35.908 37.578 -1.670 18323 1410 1 4 . 1 1 49 49 ARG N N 126 118.403 118.403 119.454 -1.051 18323 1411 1 4 . 1 1 49 49 ARG HA H 126 4.105 4.105 3.975 0.130 18323 1412 1 4 . 1 1 49 49 ARG C C 126 178.928 178.928 178.152 0.776 18323 1413 1 4 . 1 1 49 49 ARG CA C 126 59.934 59.934 58.938 0.996 18323 1414 1 4 . 1 1 49 49 ARG CB C 126 30.414 30.414 29.765 0.649 18323 1415 1 4 . 1 1 49 49 ARG H H 126 8.555 8.555 7.622 0.933 18323 1416 1 4 . 1 1 50 50 GLU N N 127 116.347 116.347 116.893 -0.546 18323 1417 1 4 . 1 1 50 50 GLU HA H 127 4.039 4.039 4.222 -0.183 18323 1418 1 4 . 1 1 50 50 GLU C C 127 176.941 176.941 177.730 -0.789 18323 1419 1 4 . 1 1 50 50 GLU CA C 127 58.762 58.762 58.309 0.454 18323 1420 1 4 . 1 1 50 50 GLU CB C 127 30.048 30.048 30.352 -0.304 18323 1421 1 4 . 1 1 50 50 GLU H H 127 7.990 7.990 8.025 -0.035 18323 1422 1 4 . 1 1 51 51 ALA N N 128 117.251 117.251 121.446 -4.195 18323 1423 1 4 . 1 1 51 51 ALA HA H 128 4.456 4.456 4.131 0.325 18323 1424 1 4 . 1 1 51 51 ALA C C 128 177.757 177.757 177.897 -0.140 18323 1425 1 4 . 1 1 51 51 ALA CA C 128 51.730 51.730 53.790 -2.060 18323 1426 1 4 . 1 1 51 51 ALA CB C 128 21.844 21.844 19.219 2.625 18323 1427 1 4 . 1 1 51 51 ALA H H 128 7.126 7.126 7.972 -0.846 18323 1428 1 4 . 1 1 52 52 ASP N N 129 117.909 117.909 117.679 0.230 18323 1429 1 4 . 1 1 52 52 ASP HA H 129 4.502 4.502 4.473 0.029 18323 1430 1 4 . 1 1 52 52 ASP C C 129 175.854 175.854 176.633 -0.779 18323 1431 1 4 . 1 1 52 52 ASP CA C 129 54.074 54.074 55.333 -1.259 18323 1432 1 4 . 1 1 52 52 ASP CB C 129 40.596 40.596 41.650 -1.054 18323 1433 1 4 . 1 1 52 52 ASP H H 129 7.962 7.962 8.197 -0.235 18323 1434 1 4 . 1 1 53 53 ILE N N 130 127.900 127.900 123.682 4.218 18323 1435 1 4 . 1 1 53 53 ILE C C 130 177.995 177.995 176.996 0.999 18323 1436 1 4 . 1 1 53 53 ILE CA C 130 63.450 63.450 61.175 2.275 18323 1437 1 4 . 1 1 53 53 ILE CB C 130 38.838 38.838 38.016 0.822 18323 1438 1 4 . 1 1 53 53 ILE H H 130 8.261 8.261 8.189 0.072 18323 1439 1 4 . 1 1 54 54 ASP N N 131 116.678 116.678 117.245 -0.567 18323 1440 1 4 . 1 1 54 54 ASP HA H 131 4.541 4.541 4.853 -0.312 18323 1441 1 4 . 1 1 54 54 ASP C C 131 178.283 178.283 176.739 1.544 18323 1442 1 4 . 1 1 54 54 ASP CA C 131 54.074 54.074 54.196 -0.122 18323 1443 1 4 . 1 1 54 54 ASP CB C 131 40.010 40.010 41.682 -1.672 18323 1444 1 4 . 1 1 54 54 ASP H H 131 8.372 8.372 9.094 -0.722 18323 1445 1 4 . 1 1 55 55 GLY N N 132 108.866 108.866 109.296 -0.430 18323 1446 1 4 . 1 1 55 55 GLY C C 132 175.365 175.365 174.614 0.751 18323 1447 1 4 . 1 1 55 55 GLY CA C 132 47.628 47.628 46.090 1.538 18323 1448 1 4 . 1 1 55 55 GLY H H 132 7.679 7.679 8.683 -1.004 18323 1449 1 4 . 1 1 56 56 ASP N N 133 120.968 120.968 118.664 2.304 18323 1450 1 4 . 1 1 56 56 ASP HA H 133 4.493 4.493 4.617 -0.124 18323 1451 1 4 . 1 1 56 56 ASP C C 133 177.582 177.582 177.747 -0.165 18323 1452 1 4 . 1 1 56 56 ASP CA C 133 53.488 53.488 52.194 1.294 18323 1453 1 4 . 1 1 56 56 ASP CB C 133 40.010 40.010 40.226 -0.216 18323 1454 1 4 . 1 1 56 56 ASP H H 133 8.415 8.415 8.059 0.356 18323 1455 1 4 . 1 1 57 57 GLY N N 134 112.821 112.821 108.136 4.685 18323 1456 1 4 . 1 1 57 57 GLY C C 134 172.847 172.847 173.786 -0.939 18323 1457 1 4 . 1 1 57 57 GLY CA C 134 45.870 45.870 46.114 -0.244 18323 1458 1 4 . 1 1 57 57 GLY H H 134 10.300 10.300 8.696 1.604 18323 1459 1 4 . 1 1 58 58 GLN N N 135 115.391 115.391 118.200 -2.809 18323 1460 1 4 . 1 1 58 58 GLN HA H 135 5.003 5.003 4.736 0.267 18323 1461 1 4 . 1 1 58 58 GLN C C 135 175.019 175.019 174.647 0.372 18323 1462 1 4 . 1 1 58 58 GLN CA C 135 52.902 52.902 54.279 -1.377 18323 1463 1 4 . 1 1 58 58 GLN CB C 135 32.978 32.978 30.993 1.985 18323 1464 1 4 . 1 1 58 58 GLN H H 135 8.022 8.022 7.972 0.050 18323 1465 1 4 . 1 1 59 59 VAL N N 136 125.596 125.596 124.880 0.716 18323 1466 1 4 . 1 1 59 59 VAL HA H 136 5.134 5.134 4.408 0.726 18323 1467 1 4 . 1 1 59 59 VAL C C 136 175.912 175.912 176.404 -0.492 18323 1468 1 4 . 1 1 59 59 VAL CA C 136 61.613 61.613 60.444 1.169 18323 1469 1 4 . 1 1 59 59 VAL CB C 136 33.694 33.694 32.742 0.952 18323 1470 1 4 . 1 1 59 59 VAL H H 136 9.176 9.176 8.248 0.928 18323 1471 1 4 . 1 1 60 60 ASN N N 137 129.229 129.229 126.361 2.868 18323 1472 1 4 . 1 1 60 60 ASN HA H 137 5.371 5.371 4.781 0.590 18323 1473 1 4 . 1 1 60 60 ASN C C 137 174.805 174.805 176.283 -1.478 18323 1474 1 4 . 1 1 60 60 ASN CA C 137 51.144 51.144 52.812 -1.668 18323 1475 1 4 . 1 1 60 60 ASN CB C 137 38.252 38.252 38.897 -0.645 18323 1476 1 4 . 1 1 60 60 ASN H H 137 9.576 9.576 8.436 1.140 18323 1477 1 4 . 1 1 61 61 TYR N N 138 118.597 118.597 118.495 0.102 18323 1478 1 4 . 1 1 61 61 TYR C C 138 176.119 176.119 177.831 -1.712 18323 1479 1 4 . 1 1 61 61 TYR CA C 138 62.278 62.278 61.934 0.344 18323 1480 1 4 . 1 1 61 61 TYR CB C 138 37.666 37.666 38.038 -0.372 18323 1481 1 4 . 1 1 61 61 TYR H H 138 8.268 8.268 8.888 -0.620 18323 1482 1 4 . 1 1 62 62 GLU N N 139 118.441 118.441 118.834 -0.393 18323 1483 1 4 . 1 1 62 62 GLU HA H 139 4.123 4.123 4.188 -0.065 18323 1484 1 4 . 1 1 62 62 GLU C C 139 179.189 179.189 179.438 -0.249 18323 1485 1 4 . 1 1 62 62 GLU CA C 139 59.934 59.934 60.224 -0.290 18323 1486 1 4 . 1 1 62 62 GLU CB C 139 28.876 28.876 28.877 -0.001 18323 1487 1 4 . 1 1 62 62 GLU H H 139 8.087 8.087 9.101 -1.014 18323 1488 1 4 . 1 1 63 63 GLU N N 140 120.992 120.992 119.583 1.409 18323 1489 1 4 . 1 1 63 63 GLU HA H 140 3.914 3.914 4.069 -0.155 18323 1490 1 4 . 1 1 63 63 GLU C C 140 179.328 179.328 179.188 0.140 18323 1491 1 4 . 1 1 63 63 GLU CA C 140 58.762 58.762 59.210 -0.448 18323 1492 1 4 . 1 1 63 63 GLU CB C 140 29.462 29.462 29.465 -0.003 18323 1493 1 4 . 1 1 63 63 GLU H H 140 7.761 7.761 8.935 -1.174 18323 1494 1 4 . 1 1 64 64 PHE N N 141 123.798 123.798 119.752 4.046 18323 1495 1 4 . 1 1 64 64 PHE C C 141 176.843 176.843 176.703 0.140 18323 1496 1 4 . 1 1 64 64 PHE CA C 141 61.692 61.692 61.092 0.600 18323 1497 1 4 . 1 1 64 64 PHE CB C 141 39.917 39.917 39.570 0.347 18323 1498 1 4 . 1 1 64 64 PHE H H 141 8.529 8.529 7.662 0.867 18323 1499 1 4 . 1 1 65 65 VAL N N 142 119.218 119.218 119.968 -0.750 18323 1500 1 4 . 1 1 65 65 VAL C C 142 179.497 179.497 177.493 2.004 18323 1501 1 4 . 1 1 65 65 VAL CA C 142 66.966 66.966 66.676 0.290 18323 1502 1 4 . 1 1 65 65 VAL CB C 142 31.220 31.220 31.649 -0.429 18323 1503 1 4 . 1 1 65 65 VAL H H 142 8.672 8.672 8.850 -0.178 18323 1504 1 4 . 1 1 66 66 GLN N N 143 118.362 118.362 117.756 0.606 18323 1505 1 4 . 1 1 66 66 GLN HA H 143 3.845 3.845 3.967 -0.122 18323 1506 1 4 . 1 1 66 66 GLN C C 143 177.881 177.881 178.169 -0.288 18323 1507 1 4 . 1 1 66 66 GLN CA C 143 58.762 58.762 58.271 0.491 18323 1508 1 4 . 1 1 66 66 GLN CB C 143 27.704 27.704 28.630 -0.926 18323 1509 1 4 . 1 1 66 66 GLN H H 143 7.550 7.550 7.946 -0.396 18323 1510 1 4 . 1 1 67 67 MET N N 144 116.720 116.720 117.505 -0.785 18323 1511 1 4 . 1 1 67 67 MET C C 144 177.803 177.803 176.712 1.091 18323 1512 1 4 . 1 1 67 67 MET CA C 144 56.418 56.418 57.351 -0.933 18323 1513 1 4 . 1 1 67 67 MET CB C 144 31.806 31.806 33.096 -1.290 18323 1514 1 4 . 1 1 67 67 MET H H 144 7.300 7.300 7.491 -0.191 18323 1515 1 4 . 1 1 68 68 MET N N 145 116.116 116.116 117.369 -1.253 18323 1516 1 4 . 1 1 68 68 MET HA H 145 4.115 4.115 3.550 0.565 18323 1517 1 4 . 1 1 68 68 MET C C 145 177.203 177.203 174.433 2.770 18323 1518 1 4 . 1 1 68 68 MET CA C 145 56.418 56.418 55.981 0.437 18323 1519 1 4 . 1 1 68 68 MET CB C 145 31.806 31.806 33.041 -1.235 18323 1520 1 4 . 1 1 68 68 MET H H 145 7.732 7.732 8.010 -0.278 18323 1521 1 4 . 1 1 69 69 THR N N 146 108.868 108.868 111.356 -2.488 18323 1522 1 4 . 1 1 69 69 THR HA H 146 4.288 4.288 4.129 0.159 18323 1523 1 4 . 1 1 69 69 THR C C 146 174.154 174.154 174.013 0.141 18323 1524 1 4 . 1 1 69 69 THR CA C 146 61.692 61.692 61.510 0.182 18323 1525 1 4 . 1 1 69 69 THR CB C 146 69.896 69.896 68.128 1.768 18323 1526 1 4 . 1 1 69 69 THR H H 146 7.649 7.649 7.954 -0.305 18323 1527 1 4 . 1 1 70 70 ALA N N 147 126.934 126.934 124.300 2.634 18323 1528 1 4 . 1 1 70 70 ALA HA H 147 4.287 4.287 4.380 -0.093 18323 1529 1 4 . 1 1 70 70 ALA C C 147 176.686 176.686 176.528 0.158 18323 1530 1 4 . 1 1 70 70 ALA CA C 147 52.902 52.902 51.695 1.207 18323 1531 1 4 . 1 1 70 70 ALA CB C 147 18.914 18.914 19.896 -0.982 18323 1532 1 4 . 1 1 70 70 ALA H H 147 7.546 7.546 7.115 0.431 18323 1533 1 5 . 1 1 2 2 THR N N 79 114.287 114.287 114.836 -0.549 18323 1534 1 5 . 1 1 2 2 THR HA H 79 4.281 4.281 4.226 0.055 18323 1535 1 5 . 1 1 2 2 THR C C 79 174.598 174.598 173.633 0.965 18323 1536 1 5 . 1 1 2 2 THR CA C 79 62.278 62.278 63.143 -0.865 18323 1537 1 5 . 1 1 2 2 THR CB C 79 69.310 69.310 68.561 0.749 18323 1538 1 5 . 1 1 2 2 THR H H 79 8.299 8.299 8.214 0.085 18323 1539 1 5 . 1 1 3 3 ASP N N 80 122.311 122.311 122.584 -0.273 18323 1540 1 5 . 1 1 3 3 ASP C C 80 176.788 176.788 176.878 -0.090 18323 1541 1 5 . 1 1 3 3 ASP CA C 80 54.660 54.660 53.822 0.838 18323 1542 1 5 . 1 1 3 3 ASP CB C 80 41.182 41.182 41.105 0.077 18323 1543 1 5 . 1 1 3 3 ASP H H 80 8.447 8.447 8.497 -0.050 18323 1544 1 5 . 1 1 4 4 SER N N 81 116.934 116.934 114.980 1.954 18323 1545 1 5 . 1 1 4 4 SER HA H 81 4.022 4.022 4.037 -0.015 18323 1546 1 5 . 1 1 4 4 SER C C 81 175.337 175.337 175.037 0.300 18323 1547 1 5 . 1 1 4 4 SER CA C 81 58.762 58.762 61.429 -2.667 18323 1548 1 5 . 1 1 4 4 SER CB C 81 64.036 64.036 61.980 2.056 18323 1549 1 5 . 1 1 4 4 SER H H 81 8.351 8.351 8.130 0.221 18323 1550 1 5 . 1 1 5 5 GLU N N 82 123.423 123.423 121.135 2.288 18323 1551 1 5 . 1 1 5 5 GLU HA H 82 4.112 4.112 4.098 0.014 18323 1552 1 5 . 1 1 5 5 GLU C C 82 178.067 178.067 177.539 0.528 18323 1553 1 5 . 1 1 5 5 GLU CA C 82 59.348 59.348 58.801 0.547 18323 1554 1 5 . 1 1 5 5 GLU CB C 82 46.749 46.749 29.575 17.174 18323 1555 1 5 . 1 1 5 5 GLU H H 82 8.588 8.588 7.932 0.656 18323 1556 1 5 . 1 1 6 6 GLU N N 83 118.987 118.987 118.346 0.641 18323 1557 1 5 . 1 1 6 6 GLU CA C 83 59.348 59.348 59.084 0.264 18323 1558 1 5 . 1 1 6 6 GLU CB C 83 29.462 29.462 28.613 0.849 18323 1559 1 5 . 1 1 6 6 GLU H H 83 8.412 8.412 8.525 -0.113 18323 1560 1 5 . 1 1 7 7 GLU HA H 84 4.116 4.116 4.088 0.028 18323 1561 1 5 . 1 1 7 7 GLU C C 84 178.969 178.969 179.219 -0.250 18323 1562 1 5 . 1 1 7 7 GLU CA C 84 59.348 59.348 58.959 0.390 18323 1563 1 5 . 1 1 7 7 GLU CB C 84 29.462 29.462 29.575 -0.113 18323 1564 1 5 . 1 1 8 8 ILE N N 85 121.839 121.839 119.022 2.817 18323 1565 1 5 . 1 1 8 8 ILE HA H 85 3.917 3.917 3.843 0.074 18323 1566 1 5 . 1 1 8 8 ILE C C 85 178.283 178.283 178.529 -0.246 18323 1567 1 5 . 1 1 8 8 ILE CA C 85 65.208 65.208 64.900 0.308 18323 1568 1 5 . 1 1 8 8 ILE CB C 85 37.080 37.080 37.875 -0.795 18323 1569 1 5 . 1 1 8 8 ILE H H 85 8.001 8.001 8.114 -0.113 18323 1570 1 5 . 1 1 9 9 ARG N N 86 121.328 121.328 120.285 1.043 18323 1571 1 5 . 1 1 9 9 ARG HA H 86 4.260 4.260 4.133 0.127 18323 1572 1 5 . 1 1 9 9 ARG C C 86 179.291 179.291 178.607 0.684 18323 1573 1 5 . 1 1 9 9 ARG CA C 86 59.934 59.934 59.359 0.575 18323 1574 1 5 . 1 1 9 9 ARG CB C 86 29.462 29.462 29.547 -0.085 18323 1575 1 5 . 1 1 9 9 ARG H H 86 8.544 8.544 8.498 0.046 18323 1576 1 5 . 1 1 10 10 GLU N N 87 118.332 118.332 116.906 1.426 18323 1577 1 5 . 1 1 10 10 GLU HA H 87 4.116 4.116 4.319 -0.203 18323 1578 1 5 . 1 1 10 10 GLU C C 87 179.498 179.498 178.092 1.406 18323 1579 1 5 . 1 1 10 10 GLU CA C 87 59.348 59.348 58.226 1.122 18323 1580 1 5 . 1 1 10 10 GLU CB C 87 29.462 29.462 29.108 0.354 18323 1581 1 5 . 1 1 10 10 GLU H H 87 8.225 8.225 7.934 0.291 18323 1582 1 5 . 1 1 11 11 ALA N N 88 121.839 121.839 123.274 -1.435 18323 1583 1 5 . 1 1 11 11 ALA HA H 88 4.243 4.243 4.233 0.010 18323 1584 1 5 . 1 1 11 11 ALA C C 88 176.715 176.715 179.514 -2.799 18323 1585 1 5 . 1 1 11 11 ALA CA C 88 55.246 55.246 54.862 0.384 18323 1586 1 5 . 1 1 11 11 ALA CB C 88 18.136 18.136 18.277 -0.141 18323 1587 1 5 . 1 1 11 11 ALA H H 88 8.001 8.001 8.159 -0.158 18323 1588 1 5 . 1 1 12 12 PHE N N 89 118.794 118.794 117.832 0.962 18323 1589 1 5 . 1 1 12 12 PHE HA H 89 4.934 4.934 3.986 0.948 18323 1590 1 5 . 1 1 12 12 PHE C C 89 177.370 177.370 178.136 -0.766 18323 1591 1 5 . 1 1 12 12 PHE CA C 89 62.278 62.278 62.178 0.100 18323 1592 1 5 . 1 1 12 12 PHE CB C 89 39.424 39.424 38.377 1.048 18323 1593 1 5 . 1 1 12 12 PHE H H 89 8.630 8.630 7.902 0.728 18323 1594 1 5 . 1 1 13 13 ARG N N 90 115.837 115.837 117.955 -2.118 18323 1595 1 5 . 1 1 13 13 ARG HA H 90 3.862 3.862 4.029 -0.167 18323 1596 1 5 . 1 1 13 13 ARG C C 90 177.590 177.590 177.829 -0.239 18323 1597 1 5 . 1 1 13 13 ARG CA C 90 58.762 58.762 59.491 -0.729 18323 1598 1 5 . 1 1 13 13 ARG CB C 90 30.048 30.048 29.967 0.081 18323 1599 1 5 . 1 1 13 13 ARG H H 90 7.891 7.891 7.686 0.205 18323 1600 1 5 . 1 1 14 14 VAL N N 91 118.382 118.382 118.442 -0.060 18323 1601 1 5 . 1 1 14 14 VAL C C 91 176.343 176.343 177.921 -1.578 18323 1602 1 5 . 1 1 14 14 VAL CA C 91 65.794 65.794 65.615 0.179 18323 1603 1 5 . 1 1 14 14 VAL CB C 91 31.220 31.220 31.618 -0.398 18323 1604 1 5 . 1 1 14 14 VAL H H 91 7.407 7.407 7.619 -0.212 18323 1605 1 5 . 1 1 15 15 PHE N N 92 114.257 114.257 117.391 -3.134 18323 1606 1 5 . 1 1 15 15 PHE HA H 92 4.661 4.661 4.208 0.453 18323 1607 1 5 . 1 1 15 15 PHE C C 92 176.378 176.378 177.608 -1.230 18323 1608 1 5 . 1 1 15 15 PHE CA C 92 59.934 59.934 60.947 -1.013 18323 1609 1 5 . 1 1 15 15 PHE CB C 92 41.182 41.182 38.991 2.191 18323 1610 1 5 . 1 1 15 15 PHE H H 92 6.892 6.892 7.938 -1.046 18323 1611 1 5 . 1 1 16 16 ASP N N 93 116.288 116.288 119.425 -3.137 18323 1612 1 5 . 1 1 16 16 ASP HA H 93 4.617 4.617 4.719 -0.102 18323 1613 1 5 . 1 1 16 16 ASP C C 93 177.695 177.695 177.629 0.066 18323 1614 1 5 . 1 1 16 16 ASP CA C 93 51.730 51.730 53.418 -1.688 18323 1615 1 5 . 1 1 16 16 ASP CB C 93 38.838 38.838 38.942 -0.104 18323 1616 1 5 . 1 1 16 16 ASP H H 93 7.847 7.847 8.645 -0.798 18323 1617 1 5 . 1 1 17 17 LYS N N 94 125.440 125.440 123.848 1.592 18323 1618 1 5 . 1 1 17 17 LYS HA H 94 3.889 3.889 3.946 -0.057 18323 1619 1 5 . 1 1 17 17 LYS C C 94 178.290 178.290 177.926 0.364 18323 1620 1 5 . 1 1 17 17 LYS CA C 94 58.762 58.762 58.930 -0.168 18323 1621 1 5 . 1 1 17 17 LYS CB C 94 32.392 32.392 32.452 -0.060 18323 1622 1 5 . 1 1 17 17 LYS H H 94 7.662 7.662 8.756 -1.094 18323 1623 1 5 . 1 1 18 18 ASP N N 95 114.292 114.292 115.677 -1.385 18323 1624 1 5 . 1 1 18 18 ASP HA H 95 4.567 4.567 4.573 -0.006 18323 1625 1 5 . 1 1 18 18 ASP C C 95 177.826 177.826 176.859 0.967 18323 1626 1 5 . 1 1 18 18 ASP CA C 95 52.902 52.902 54.783 -1.881 18323 1627 1 5 . 1 1 18 18 ASP CB C 95 39.424 39.424 41.087 -1.663 18323 1628 1 5 . 1 1 18 18 ASP H H 95 8.336 8.336 8.363 -0.027 18323 1629 1 5 . 1 1 19 19 GLY N N 96 109.374 109.374 108.835 0.539 18323 1630 1 5 . 1 1 19 19 GLY C C 96 175.145 175.145 174.733 0.412 18323 1631 1 5 . 1 1 19 19 GLY CA C 96 47.042 47.042 46.025 1.017 18323 1632 1 5 . 1 1 19 19 GLY H H 96 7.797 7.797 8.351 -0.554 18323 1633 1 5 . 1 1 20 20 ASN N N 97 119.964 119.964 119.610 0.354 18323 1634 1 5 . 1 1 20 20 ASN HA H 97 4.670 4.670 4.757 -0.087 18323 1635 1 5 . 1 1 20 20 ASN C C 97 176.120 176.120 176.280 -0.160 18323 1636 1 5 . 1 1 20 20 ASN CA C 97 52.316 52.316 51.686 0.630 18323 1637 1 5 . 1 1 20 20 ASN CB C 97 38.252 38.252 39.071 -0.819 18323 1638 1 5 . 1 1 20 20 ASN H H 97 8.430 8.430 8.157 0.273 18323 1639 1 5 . 1 1 21 21 GLY N N 98 112.726 112.726 108.477 4.249 18323 1640 1 5 . 1 1 21 21 GLY C C 98 172.751 172.751 172.422 0.329 18323 1641 1 5 . 1 1 21 21 GLY CA C 98 44.698 44.698 45.502 -0.804 18323 1642 1 5 . 1 1 21 21 GLY H H 98 10.638 10.638 8.108 2.530 18323 1643 1 5 . 1 1 22 22 TYR N N 99 116.415 116.415 115.858 0.557 18323 1644 1 5 . 1 1 22 22 TYR C C 99 174.795 174.795 174.121 0.674 18323 1645 1 5 . 1 1 22 22 TYR CA C 99 56.418 56.418 56.638 -0.220 18323 1646 1 5 . 1 1 22 22 TYR CB C 99 42.940 42.940 42.042 0.898 18323 1647 1 5 . 1 1 22 22 TYR H H 99 7.708 7.708 8.093 -0.385 18323 1648 1 5 . 1 1 23 23 ILE N N 100 127.488 127.488 122.272 5.216 18323 1649 1 5 . 1 1 23 23 ILE C C 100 175.543 175.543 175.126 0.417 18323 1650 1 5 . 1 1 23 23 ILE CA C 100 61.106 61.106 59.114 1.992 18323 1651 1 5 . 1 1 23 23 ILE CB C 100 39.424 39.424 38.568 0.856 18323 1652 1 5 . 1 1 23 23 ILE H H 100 10.197 10.197 8.625 1.572 18323 1653 1 5 . 1 1 24 24 SER N N 101 123.860 123.860 121.846 2.014 18323 1654 1 5 . 1 1 24 24 SER HA H 101 4.973 4.973 5.089 -0.116 18323 1655 1 5 . 1 1 24 24 SER C C 101 175.300 175.300 175.428 -0.128 18323 1656 1 5 . 1 1 24 24 SER CA C 101 55.832 55.832 57.189 -1.357 18323 1657 1 5 . 1 1 24 24 SER CB C 101 66.966 66.966 65.122 1.844 18323 1658 1 5 . 1 1 24 24 SER H H 101 8.998 8.998 9.310 -0.312 18323 1659 1 5 . 1 1 25 25 ALA N N 102 123.328 123.328 126.193 -2.865 18323 1660 1 5 . 1 1 25 25 ALA HA H 102 3.938 3.938 4.084 -0.146 18323 1661 1 5 . 1 1 25 25 ALA C C 102 179.324 179.324 179.237 0.087 18323 1662 1 5 . 1 1 25 25 ALA CA C 102 55.832 55.832 55.346 0.486 18323 1663 1 5 . 1 1 25 25 ALA CB C 102 17.742 17.742 18.576 -0.834 18323 1664 1 5 . 1 1 25 25 ALA H H 102 9.377 9.377 8.972 0.405 18323 1665 1 5 . 1 1 26 26 ALA N N 103 118.536 118.536 120.380 -1.844 18323 1666 1 5 . 1 1 26 26 ALA HA H 103 4.054 4.054 4.026 0.028 18323 1667 1 5 . 1 1 26 26 ALA C C 103 181.535 181.535 179.918 1.617 18323 1668 1 5 . 1 1 26 26 ALA CA C 103 55.246 55.246 54.910 0.336 18323 1669 1 5 . 1 1 26 26 ALA CB C 103 18.328 18.328 18.154 0.173 18323 1670 1 5 . 1 1 26 26 ALA H H 103 8.317 8.317 8.547 -0.230 18323 1671 1 5 . 1 1 27 27 GLU N N 104 120.419 120.419 118.625 1.794 18323 1672 1 5 . 1 1 27 27 GLU HA H 104 4.033 4.033 4.121 -0.088 18323 1673 1 5 . 1 1 27 27 GLU C C 104 178.950 178.950 178.996 -0.046 18323 1674 1 5 . 1 1 27 27 GLU CA C 104 59.348 59.348 59.352 -0.004 18323 1675 1 5 . 1 1 27 27 GLU CB C 104 28.876 28.876 29.386 -0.510 18323 1676 1 5 . 1 1 27 27 GLU H H 104 7.977 7.977 7.759 0.218 18323 1677 1 5 . 1 1 28 28 LEU N N 105 120.658 120.658 119.231 1.427 18323 1678 1 5 . 1 1 28 28 LEU HA H 105 4.178 4.178 4.220 -0.042 18323 1679 1 5 . 1 1 28 28 LEU C C 105 178.402 178.402 179.051 -0.649 18323 1680 1 5 . 1 1 28 28 LEU CA C 105 58.176 58.176 57.912 0.264 18323 1681 1 5 . 1 1 28 28 LEU CB C 105 41.768 41.768 41.423 0.345 18323 1682 1 5 . 1 1 28 28 LEU H H 105 8.500 8.500 7.329 1.171 18323 1683 1 5 . 1 1 29 29 ARG N N 106 117.807 117.807 117.974 -0.167 18323 1684 1 5 . 1 1 29 29 ARG HA H 106 4.042 4.042 3.937 0.105 18323 1685 1 5 . 1 1 29 29 ARG C C 106 177.506 177.506 178.619 -1.113 18323 1686 1 5 . 1 1 29 29 ARG CA C 106 59.934 59.934 59.271 0.663 18323 1687 1 5 . 1 1 29 29 ARG CB C 106 30.634 30.634 29.375 1.259 18323 1688 1 5 . 1 1 29 29 ARG H H 106 8.727 8.727 7.626 1.101 18323 1689 1 5 . 1 1 30 30 HIS N N 107 119.849 119.849 119.636 0.213 18323 1690 1 5 . 1 1 30 30 HIS C C 107 177.862 177.862 177.954 -0.092 18323 1691 1 5 . 1 1 30 30 HIS CA C 107 59.934 59.934 58.896 1.038 18323 1692 1 5 . 1 1 30 30 HIS CB C 107 30.634 30.634 29.596 1.038 18323 1693 1 5 . 1 1 30 30 HIS H H 107 8.030 8.030 7.860 0.170 18323 1694 1 5 . 1 1 31 31 VAL N N 108 119.784 119.784 121.087 -1.303 18323 1695 1 5 . 1 1 31 31 VAL C C 108 178.437 178.437 178.212 0.225 18323 1696 1 5 . 1 1 31 31 VAL CA C 108 66.966 66.966 65.866 1.100 18323 1697 1 5 . 1 1 31 31 VAL CB C 108 31.806 31.806 31.380 0.426 18323 1698 1 5 . 1 1 31 31 VAL H H 108 8.322 8.322 8.339 -0.017 18323 1699 1 5 . 1 1 32 32 MET N N 109 115.699 115.699 118.198 -2.499 18323 1700 1 5 . 1 1 32 32 MET HA H 109 4.343 4.343 4.127 0.216 18323 1701 1 5 . 1 1 32 32 MET C C 109 179.296 179.296 178.769 0.527 18323 1702 1 5 . 1 1 32 32 MET CA C 109 57.004 57.004 58.553 -1.549 18323 1703 1 5 . 1 1 32 32 MET CB C 109 29.462 29.462 31.277 -1.815 18323 1704 1 5 . 1 1 32 32 MET H H 109 8.397 8.397 8.475 -0.078 18323 1705 1 5 . 1 1 33 33 THR N N 110 116.362 116.362 115.770 0.592 18323 1706 1 5 . 1 1 33 33 THR C C 110 178.290 178.290 177.698 0.592 18323 1707 1 5 . 1 1 33 33 THR CA C 110 66.380 66.380 66.693 -0.313 18323 1708 1 5 . 1 1 33 33 THR CB C 110 68.724 68.724 68.316 0.408 18323 1709 1 5 . 1 1 33 33 THR H H 110 8.296 8.296 8.377 -0.081 18323 1710 1 5 . 1 1 34 34 ASN N N 111 122.809 122.809 120.820 1.989 18323 1711 1 5 . 1 1 34 34 ASN HA H 111 4.619 4.619 4.540 0.079 18323 1712 1 5 . 1 1 34 34 ASN C C 111 176.698 176.698 177.465 -0.767 18323 1713 1 5 . 1 1 34 34 ASN CA C 111 55.832 55.832 55.702 0.130 18323 1714 1 5 . 1 1 34 34 ASN CB C 111 38.252 38.252 38.490 -0.238 18323 1715 1 5 . 1 1 34 34 ASN H H 111 7.936 7.936 8.565 -0.629 18323 1716 1 5 . 1 1 35 35 LEU N N 112 118.523 118.523 117.931 0.592 18323 1717 1 5 . 1 1 35 35 LEU HA H 112 4.322 4.322 4.103 0.219 18323 1718 1 5 . 1 1 35 35 LEU C C 112 177.205 177.205 177.609 -0.404 18323 1719 1 5 . 1 1 35 35 LEU CA C 112 55.246 55.246 56.300 -1.054 18323 1720 1 5 . 1 1 35 35 LEU CB C 112 42.354 42.354 42.456 -0.102 18323 1721 1 5 . 1 1 35 35 LEU H H 112 7.815 7.815 8.131 -0.316 18323 1722 1 5 . 1 1 36 36 GLY N N 113 107.203 107.203 104.630 2.573 18323 1723 1 5 . 1 1 36 36 GLY C C 113 174.354 174.354 173.890 0.464 18323 1724 1 5 . 1 1 36 36 GLY CA C 113 45.284 45.284 44.368 0.916 18323 1725 1 5 . 1 1 36 36 GLY H H 113 7.853 7.853 7.465 0.388 18323 1726 1 5 . 1 1 37 37 GLU N N 114 120.199 120.199 121.724 -1.525 18323 1727 1 5 . 1 1 37 37 GLU HA H 114 4.435 4.435 4.499 -0.064 18323 1728 1 5 . 1 1 37 37 GLU C C 114 175.359 175.359 175.732 -0.373 18323 1729 1 5 . 1 1 37 37 GLU CA C 114 54.660 54.660 54.586 0.075 18323 1730 1 5 . 1 1 37 37 GLU CB C 114 30.634 30.634 31.203 -0.569 18323 1731 1 5 . 1 1 37 37 GLU H H 114 7.909 7.909 8.421 -0.512 18323 1732 1 5 . 1 1 38 38 LYS N N 115 124.425 124.425 125.881 -1.456 18323 1733 1 5 . 1 1 38 38 LYS HA H 115 4.372 4.372 4.114 0.258 18323 1734 1 5 . 1 1 38 38 LYS C C 115 175.464 175.464 176.048 -0.584 18323 1735 1 5 . 1 1 38 38 LYS CA C 115 55.246 55.246 56.559 -1.313 18323 1736 1 5 . 1 1 38 38 LYS CB C 115 31.806 31.806 31.593 0.213 18323 1737 1 5 . 1 1 38 38 LYS H H 115 8.642 8.642 8.734 -0.092 18323 1738 1 5 . 1 1 39 39 LEU N N 116 125.258 125.258 124.922 0.336 18323 1739 1 5 . 1 1 39 39 LEU HA H 116 4.742 4.742 4.407 0.335 18323 1740 1 5 . 1 1 39 39 LEU C C 116 178.351 178.351 177.089 1.262 18323 1741 1 5 . 1 1 39 39 LEU CA C 116 54.074 54.074 54.675 -0.601 18323 1742 1 5 . 1 1 39 39 LEU CB C 116 44.112 44.112 42.762 1.350 18323 1743 1 5 . 1 1 39 39 LEU H H 116 8.102 8.102 7.906 0.196 18323 1744 1 5 . 1 1 40 40 THR N N 117 114.811 114.811 110.680 4.131 18323 1745 1 5 . 1 1 40 40 THR HA H 117 4.744 4.744 4.542 0.202 18323 1746 1 5 . 1 1 40 40 THR C C 117 175.522 175.522 174.873 0.649 18323 1747 1 5 . 1 1 40 40 THR CA C 117 60.520 60.520 60.844 -0.324 18323 1748 1 5 . 1 1 40 40 THR CB C 117 71.068 71.068 71.621 -0.553 18323 1749 1 5 . 1 1 40 40 THR H H 117 9.297 9.297 8.505 0.792 18323 1750 1 5 . 1 1 41 41 ASP N N 118 121.232 121.232 125.498 -4.266 18323 1751 1 5 . 1 1 41 41 ASP C C 118 178.644 178.644 178.212 0.432 18323 1752 1 5 . 1 1 41 41 ASP CA C 118 57.590 57.590 57.601 -0.011 18323 1753 1 5 . 1 1 41 41 ASP CB C 118 39.424 39.424 40.498 -1.074 18323 1754 1 5 . 1 1 41 41 ASP H H 118 8.967 8.967 9.013 -0.046 18323 1755 1 5 . 1 1 42 42 GLU N N 119 119.357 119.357 118.262 1.095 18323 1756 1 5 . 1 1 42 42 GLU HA H 119 4.051 4.051 4.017 0.034 18323 1757 1 5 . 1 1 42 42 GLU C C 119 178.847 178.847 178.676 0.171 18323 1758 1 5 . 1 1 42 42 GLU CA C 119 59.934 59.934 59.355 0.579 18323 1759 1 5 . 1 1 42 42 GLU CB C 119 28.876 28.876 29.239 -0.363 18323 1760 1 5 . 1 1 42 42 GLU H H 119 8.679 8.679 8.850 -0.171 18323 1761 1 5 . 1 1 43 43 GLU N N 120 118.761 118.761 120.881 -2.120 18323 1762 1 5 . 1 1 43 43 GLU HA H 120 4.003 4.003 4.109 -0.106 18323 1763 1 5 . 1 1 43 43 GLU C C 120 179.996 179.996 178.868 1.128 18323 1764 1 5 . 1 1 43 43 GLU CA C 120 59.348 59.348 58.806 0.542 18323 1765 1 5 . 1 1 43 43 GLU CB C 120 30.048 30.048 29.853 0.195 18323 1766 1 5 . 1 1 43 43 GLU H H 120 7.998 7.998 7.493 0.505 18323 1767 1 5 . 1 1 44 44 VAL N N 121 121.165 121.165 120.509 0.656 18323 1768 1 5 . 1 1 44 44 VAL HA H 121 3.439 3.439 3.472 -0.033 18323 1769 1 5 . 1 1 44 44 VAL C C 121 177.489 177.489 177.195 0.294 18323 1770 1 5 . 1 1 44 44 VAL CA C 121 66.966 66.966 67.517 -0.551 18323 1771 1 5 . 1 1 44 44 VAL CB C 121 31.220 31.220 31.883 -0.663 18323 1772 1 5 . 1 1 44 44 VAL H H 121 8.051 8.051 8.476 -0.425 18323 1773 1 5 . 1 1 45 45 ASP N N 122 119.507 119.507 118.454 1.053 18323 1774 1 5 . 1 1 45 45 ASP HA H 122 4.338 4.338 4.234 0.104 18323 1775 1 5 . 1 1 45 45 ASP C C 122 179.226 179.226 178.468 0.758 18323 1776 1 5 . 1 1 45 45 ASP CA C 122 57.590 57.590 57.558 0.032 18323 1777 1 5 . 1 1 45 45 ASP CB C 122 40.596 40.596 40.869 -0.273 18323 1778 1 5 . 1 1 45 45 ASP H H 122 8.092 8.092 8.258 -0.166 18323 1779 1 5 . 1 1 46 46 GLU N N 123 119.871 119.871 119.003 0.868 18323 1780 1 5 . 1 1 46 46 GLU HA H 123 4.033 4.033 4.047 -0.014 18323 1781 1 5 . 1 1 46 46 GLU C C 123 178.612 178.612 178.409 0.203 18323 1782 1 5 . 1 1 46 46 GLU CA C 123 59.348 59.348 58.713 0.635 18323 1783 1 5 . 1 1 46 46 GLU CB C 123 29.462 29.462 29.648 -0.186 18323 1784 1 5 . 1 1 46 46 GLU H H 123 8.131 8.131 7.504 0.627 18323 1785 1 5 . 1 1 47 47 MET N N 124 119.395 119.395 120.752 -1.357 18323 1786 1 5 . 1 1 47 47 MET CA C 124 60.520 60.520 58.571 1.949 18323 1787 1 5 . 1 1 47 47 MET CB C 124 32.978 32.978 32.190 0.788 18323 1788 1 5 . 1 1 47 47 MET H H 124 7.781 7.781 8.329 -0.548 18323 1789 1 5 . 1 1 48 48 ILE HA H 125 4.234 4.234 3.611 0.623 18323 1790 1 5 . 1 1 48 48 ILE C C 125 177.530 177.530 177.965 -0.435 18323 1791 1 5 . 1 1 48 48 ILE CA C 125 63.450 63.450 65.217 -1.767 18323 1792 1 5 . 1 1 48 48 ILE CB C 125 35.908 35.908 37.459 -1.552 18323 1793 1 5 . 1 1 49 49 ARG N N 126 118.403 118.403 119.596 -1.193 18323 1794 1 5 . 1 1 49 49 ARG HA H 126 4.105 4.105 3.971 0.134 18323 1795 1 5 . 1 1 49 49 ARG C C 126 178.928 178.928 178.062 0.866 18323 1796 1 5 . 1 1 49 49 ARG CA C 126 59.934 59.934 58.934 1.000 18323 1797 1 5 . 1 1 49 49 ARG CB C 126 30.414 30.414 29.592 0.822 18323 1798 1 5 . 1 1 49 49 ARG H H 126 8.555 8.555 7.542 1.013 18323 1799 1 5 . 1 1 50 50 GLU N N 127 116.347 116.347 116.757 -0.410 18323 1800 1 5 . 1 1 50 50 GLU HA H 127 4.039 4.039 4.248 -0.209 18323 1801 1 5 . 1 1 50 50 GLU C C 127 176.941 176.941 177.897 -0.956 18323 1802 1 5 . 1 1 50 50 GLU CA C 127 58.762 58.762 57.847 0.915 18323 1803 1 5 . 1 1 50 50 GLU CB C 127 30.048 30.048 30.023 0.024 18323 1804 1 5 . 1 1 50 50 GLU H H 127 7.990 7.990 7.890 0.100 18323 1805 1 5 . 1 1 51 51 ALA N N 128 117.251 117.251 121.463 -4.212 18323 1806 1 5 . 1 1 51 51 ALA HA H 128 4.456 4.456 4.105 0.351 18323 1807 1 5 . 1 1 51 51 ALA C C 128 177.757 177.757 177.991 -0.234 18323 1808 1 5 . 1 1 51 51 ALA CA C 128 51.730 51.730 53.737 -2.007 18323 1809 1 5 . 1 1 51 51 ALA CB C 128 21.844 21.844 19.113 2.732 18323 1810 1 5 . 1 1 51 51 ALA H H 128 7.126 7.126 7.798 -0.672 18323 1811 1 5 . 1 1 52 52 ASP N N 129 117.909 117.909 117.789 0.120 18323 1812 1 5 . 1 1 52 52 ASP HA H 129 4.502 4.502 4.601 -0.099 18323 1813 1 5 . 1 1 52 52 ASP C C 129 175.854 175.854 176.466 -0.612 18323 1814 1 5 . 1 1 52 52 ASP CA C 129 54.074 54.074 55.383 -1.309 18323 1815 1 5 . 1 1 52 52 ASP CB C 129 40.596 40.596 41.595 -0.999 18323 1816 1 5 . 1 1 52 52 ASP H H 129 7.962 7.962 8.289 -0.327 18323 1817 1 5 . 1 1 53 53 ILE N N 130 127.900 127.900 123.350 4.550 18323 1818 1 5 . 1 1 53 53 ILE C C 130 177.995 177.995 176.870 1.125 18323 1819 1 5 . 1 1 53 53 ILE CA C 130 63.450 63.450 61.482 1.968 18323 1820 1 5 . 1 1 53 53 ILE CB C 130 38.838 38.838 38.254 0.584 18323 1821 1 5 . 1 1 53 53 ILE H H 130 8.261 8.261 8.167 0.094 18323 1822 1 5 . 1 1 54 54 ASP N N 131 116.678 116.678 117.587 -0.909 18323 1823 1 5 . 1 1 54 54 ASP HA H 131 4.541 4.541 4.830 -0.289 18323 1824 1 5 . 1 1 54 54 ASP C C 131 178.283 178.283 176.883 1.400 18323 1825 1 5 . 1 1 54 54 ASP CA C 131 54.074 54.074 54.090 -0.016 18323 1826 1 5 . 1 1 54 54 ASP CB C 131 40.010 40.010 41.642 -1.632 18323 1827 1 5 . 1 1 54 54 ASP H H 131 8.372 8.372 8.857 -0.485 18323 1828 1 5 . 1 1 55 55 GLY N N 132 108.866 108.866 109.829 -0.963 18323 1829 1 5 . 1 1 55 55 GLY C C 132 175.365 175.365 174.751 0.614 18323 1830 1 5 . 1 1 55 55 GLY CA C 132 47.628 47.628 46.209 1.419 18323 1831 1 5 . 1 1 55 55 GLY H H 132 7.679 7.679 8.741 -1.062 18323 1832 1 5 . 1 1 56 56 ASP N N 133 120.968 120.968 119.926 1.042 18323 1833 1 5 . 1 1 56 56 ASP HA H 133 4.493 4.493 4.623 -0.130 18323 1834 1 5 . 1 1 56 56 ASP C C 133 177.582 177.582 177.732 -0.150 18323 1835 1 5 . 1 1 56 56 ASP CA C 133 53.488 53.488 52.500 0.988 18323 1836 1 5 . 1 1 56 56 ASP CB C 133 40.010 40.010 40.786 -0.776 18323 1837 1 5 . 1 1 56 56 ASP H H 133 8.415 8.415 8.115 0.300 18323 1838 1 5 . 1 1 57 57 GLY N N 134 112.821 112.821 107.534 5.287 18323 1839 1 5 . 1 1 57 57 GLY C C 134 172.847 172.847 173.573 -0.726 18323 1840 1 5 . 1 1 57 57 GLY CA C 134 45.870 45.870 45.804 0.066 18323 1841 1 5 . 1 1 57 57 GLY H H 134 10.300 10.300 8.155 2.145 18323 1842 1 5 . 1 1 58 58 GLN N N 135 115.391 115.391 117.095 -1.704 18323 1843 1 5 . 1 1 58 58 GLN HA H 135 5.003 5.003 5.211 -0.208 18323 1844 1 5 . 1 1 58 58 GLN C C 135 175.019 175.019 174.089 0.930 18323 1845 1 5 . 1 1 58 58 GLN CA C 135 52.902 52.902 54.146 -1.244 18323 1846 1 5 . 1 1 58 58 GLN CB C 135 32.978 32.978 33.630 -0.652 18323 1847 1 5 . 1 1 58 58 GLN H H 135 8.022 8.022 8.242 -0.220 18323 1848 1 5 . 1 1 59 59 VAL N N 136 125.596 125.596 117.018 8.578 18323 1849 1 5 . 1 1 59 59 VAL HA H 136 5.134 5.134 4.845 0.289 18323 1850 1 5 . 1 1 59 59 VAL C C 136 175.912 175.912 174.801 1.111 18323 1851 1 5 . 1 1 59 59 VAL CA C 136 61.613 61.613 59.479 2.134 18323 1852 1 5 . 1 1 59 59 VAL CB C 136 33.694 33.694 35.014 -1.321 18323 1853 1 5 . 1 1 59 59 VAL H H 136 9.176 9.176 8.447 0.729 18323 1854 1 5 . 1 1 60 60 ASN N N 137 129.229 129.229 122.997 6.232 18323 1855 1 5 . 1 1 60 60 ASN HA H 137 5.371 5.371 4.748 0.623 18323 1856 1 5 . 1 1 60 60 ASN C C 137 174.805 174.805 177.050 -2.245 18323 1857 1 5 . 1 1 60 60 ASN CA C 137 51.144 51.144 52.714 -1.570 18323 1858 1 5 . 1 1 60 60 ASN CB C 137 38.252 38.252 38.725 -0.473 18323 1859 1 5 . 1 1 60 60 ASN H H 137 9.576 9.576 8.412 1.164 18323 1860 1 5 . 1 1 61 61 TYR N N 138 118.597 118.597 120.336 -1.739 18323 1861 1 5 . 1 1 61 61 TYR C C 138 176.119 176.119 177.944 -1.825 18323 1862 1 5 . 1 1 61 61 TYR CA C 138 62.278 62.278 62.754 -0.476 18323 1863 1 5 . 1 1 61 61 TYR CB C 138 37.666 37.666 38.179 -0.513 18323 1864 1 5 . 1 1 61 61 TYR H H 138 8.268 8.268 8.908 -0.640 18323 1865 1 5 . 1 1 62 62 GLU N N 139 118.441 118.441 120.056 -1.615 18323 1866 1 5 . 1 1 62 62 GLU HA H 139 4.123 4.123 4.184 -0.061 18323 1867 1 5 . 1 1 62 62 GLU C C 139 179.189 179.189 179.032 0.157 18323 1868 1 5 . 1 1 62 62 GLU CA C 139 59.934 59.934 60.082 -0.148 18323 1869 1 5 . 1 1 62 62 GLU CB C 139 28.876 28.876 29.035 -0.159 18323 1870 1 5 . 1 1 62 62 GLU H H 139 8.087 8.087 8.978 -0.891 18323 1871 1 5 . 1 1 63 63 GLU N N 140 120.992 120.992 118.262 2.730 18323 1872 1 5 . 1 1 63 63 GLU HA H 140 3.914 3.914 4.066 -0.152 18323 1873 1 5 . 1 1 63 63 GLU C C 140 179.328 179.328 178.764 0.564 18323 1874 1 5 . 1 1 63 63 GLU CA C 140 58.762 58.762 59.300 -0.538 18323 1875 1 5 . 1 1 63 63 GLU CB C 140 29.462 29.462 29.279 0.183 18323 1876 1 5 . 1 1 63 63 GLU H H 140 7.761 7.761 8.832 -1.071 18323 1877 1 5 . 1 1 64 64 PHE N N 141 123.798 123.798 119.513 4.285 18323 1878 1 5 . 1 1 64 64 PHE C C 141 176.843 176.843 176.826 0.017 18323 1879 1 5 . 1 1 64 64 PHE CA C 141 61.692 61.692 61.244 0.448 18323 1880 1 5 . 1 1 64 64 PHE CB C 141 39.917 39.917 39.742 0.175 18323 1881 1 5 . 1 1 64 64 PHE H H 141 8.529 8.529 7.537 0.992 18323 1882 1 5 . 1 1 65 65 VAL N N 142 119.218 119.218 120.142 -0.924 18323 1883 1 5 . 1 1 65 65 VAL C C 142 179.497 179.497 178.136 1.361 18323 1884 1 5 . 1 1 65 65 VAL CA C 142 66.966 66.966 66.785 0.181 18323 1885 1 5 . 1 1 65 65 VAL CB C 142 31.220 31.220 31.188 0.032 18323 1886 1 5 . 1 1 65 65 VAL H H 142 8.672 8.672 8.868 -0.196 18323 1887 1 5 . 1 1 66 66 GLN N N 143 118.362 118.362 116.663 1.699 18323 1888 1 5 . 1 1 66 66 GLN HA H 143 3.845 3.845 3.984 -0.139 18323 1889 1 5 . 1 1 66 66 GLN C C 143 177.881 177.881 177.663 0.218 18323 1890 1 5 . 1 1 66 66 GLN CA C 143 58.762 58.762 57.909 0.853 18323 1891 1 5 . 1 1 66 66 GLN CB C 143 27.704 27.704 28.420 -0.716 18323 1892 1 5 . 1 1 66 66 GLN H H 143 7.550 7.550 8.178 -0.628 18323 1893 1 5 . 1 1 67 67 MET N N 144 116.720 116.720 116.008 0.712 18323 1894 1 5 . 1 1 67 67 MET C C 144 177.803 177.803 177.387 0.416 18323 1895 1 5 . 1 1 67 67 MET CA C 144 56.418 56.418 55.221 1.197 18323 1896 1 5 . 1 1 67 67 MET CB C 144 31.806 31.806 32.825 -1.019 18323 1897 1 5 . 1 1 67 67 MET H H 144 7.300 7.300 7.529 -0.229 18323 1898 1 5 . 1 1 68 68 MET N N 145 116.116 116.116 119.935 -3.819 18323 1899 1 5 . 1 1 68 68 MET HA H 145 4.115 4.115 3.710 0.405 18323 1900 1 5 . 1 1 68 68 MET C C 145 177.203 177.203 176.036 1.167 18323 1901 1 5 . 1 1 68 68 MET CA C 145 56.418 56.418 56.341 0.077 18323 1902 1 5 . 1 1 68 68 MET CB C 145 31.806 31.806 31.954 -0.148 18323 1903 1 5 . 1 1 68 68 MET H H 145 7.732 7.732 7.969 -0.237 18323 1904 1 5 . 1 1 69 69 THR N N 146 108.868 108.868 112.448 -3.580 18323 1905 1 5 . 1 1 69 69 THR HA H 146 4.288 4.288 4.208 0.080 18323 1906 1 5 . 1 1 69 69 THR C C 146 174.154 174.154 174.797 -0.643 18323 1907 1 5 . 1 1 69 69 THR CA C 146 61.692 61.692 62.443 -0.751 18323 1908 1 5 . 1 1 69 69 THR CB C 146 69.896 69.896 68.671 1.225 18323 1909 1 5 . 1 1 69 69 THR H H 146 7.649 7.649 7.945 -0.296 18323 1910 1 5 . 1 1 70 70 ALA N N 147 126.934 126.934 124.004 2.930 18323 1911 1 5 . 1 1 70 70 ALA HA H 147 4.287 4.287 4.395 -0.108 18323 1912 1 5 . 1 1 70 70 ALA C C 147 176.686 176.686 176.714 -0.028 18323 1913 1 5 . 1 1 70 70 ALA CA C 147 52.902 52.902 51.559 1.343 18323 1914 1 5 . 1 1 70 70 ALA CB C 147 18.914 18.914 17.946 0.968 18323 1915 1 5 . 1 1 70 70 ALA H H 147 7.546 7.546 7.568 -0.022 18323 1916 1 6 . 1 1 2 2 THR N N 79 114.287 114.287 113.560 0.727 18323 1917 1 6 . 1 1 2 2 THR HA H 79 4.281 4.281 4.541 -0.260 18323 1918 1 6 . 1 1 2 2 THR C C 79 174.598 174.598 174.755 -0.157 18323 1919 1 6 . 1 1 2 2 THR CA C 79 62.278 62.278 61.246 1.032 18323 1920 1 6 . 1 1 2 2 THR CB C 79 69.310 69.310 71.676 -2.366 18323 1921 1 6 . 1 1 2 2 THR H H 79 8.299 8.299 8.241 0.058 18323 1922 1 6 . 1 1 3 3 ASP N N 80 122.311 122.311 122.998 -0.687 18323 1923 1 6 . 1 1 3 3 ASP C C 80 176.788 176.788 175.672 1.116 18323 1924 1 6 . 1 1 3 3 ASP CA C 80 54.660 54.660 56.267 -1.607 18323 1925 1 6 . 1 1 3 3 ASP CB C 80 41.182 41.182 41.244 -0.062 18323 1926 1 6 . 1 1 3 3 ASP H H 80 8.447 8.447 9.054 -0.607 18323 1927 1 6 . 1 1 4 4 SER N N 81 116.934 116.934 110.281 6.653 18323 1928 1 6 . 1 1 4 4 SER HA H 81 4.022 4.022 4.578 -0.556 18323 1929 1 6 . 1 1 4 4 SER C C 81 175.337 175.337 174.030 1.307 18323 1930 1 6 . 1 1 4 4 SER CA C 81 58.762 58.762 57.202 1.560 18323 1931 1 6 . 1 1 4 4 SER CB C 81 64.036 64.036 65.619 -1.583 18323 1932 1 6 . 1 1 4 4 SER H H 81 8.351 8.351 7.437 0.914 18323 1933 1 6 . 1 1 5 5 GLU N N 82 123.423 123.423 121.449 1.974 18323 1934 1 6 . 1 1 5 5 GLU HA H 82 4.112 4.112 3.958 0.154 18323 1935 1 6 . 1 1 5 5 GLU C C 82 178.067 178.067 177.688 0.379 18323 1936 1 6 . 1 1 5 5 GLU CA C 82 59.348 59.348 58.975 0.373 18323 1937 1 6 . 1 1 5 5 GLU CB C 82 46.749 46.749 29.571 17.178 18323 1938 1 6 . 1 1 5 5 GLU H H 82 8.588 8.588 8.929 -0.341 18323 1939 1 6 . 1 1 6 6 GLU N N 83 118.987 118.987 120.119 -1.132 18323 1940 1 6 . 1 1 6 6 GLU CA C 83 59.348 59.348 59.338 0.010 18323 1941 1 6 . 1 1 6 6 GLU CB C 83 29.462 29.462 29.394 0.068 18323 1942 1 6 . 1 1 6 6 GLU H H 83 8.412 8.412 7.605 0.807 18323 1943 1 6 . 1 1 7 7 GLU HA H 84 4.116 4.116 4.099 0.017 18323 1944 1 6 . 1 1 7 7 GLU C C 84 178.969 178.969 179.560 -0.591 18323 1945 1 6 . 1 1 7 7 GLU CA C 84 59.348 59.348 59.323 0.025 18323 1946 1 6 . 1 1 7 7 GLU CB C 84 29.462 29.462 29.418 0.044 18323 1947 1 6 . 1 1 8 8 ILE N N 85 121.839 121.839 119.785 2.054 18323 1948 1 6 . 1 1 8 8 ILE HA H 85 3.917 3.917 3.865 0.052 18323 1949 1 6 . 1 1 8 8 ILE C C 85 178.283 178.283 178.764 -0.481 18323 1950 1 6 . 1 1 8 8 ILE CA C 85 65.208 65.208 65.198 0.010 18323 1951 1 6 . 1 1 8 8 ILE CB C 85 37.080 37.080 37.889 -0.808 18323 1952 1 6 . 1 1 8 8 ILE H H 85 8.001 8.001 7.923 0.078 18323 1953 1 6 . 1 1 9 9 ARG N N 86 121.328 121.328 119.253 2.075 18323 1954 1 6 . 1 1 9 9 ARG HA H 86 4.260 4.260 4.168 0.092 18323 1955 1 6 . 1 1 9 9 ARG C C 86 179.291 179.291 178.703 0.588 18323 1956 1 6 . 1 1 9 9 ARG CA C 86 59.934 59.934 59.273 0.661 18323 1957 1 6 . 1 1 9 9 ARG CB C 86 29.462 29.462 29.486 -0.024 18323 1958 1 6 . 1 1 9 9 ARG H H 86 8.544 8.544 8.539 0.005 18323 1959 1 6 . 1 1 10 10 GLU N N 87 118.332 118.332 118.546 -0.214 18323 1960 1 6 . 1 1 10 10 GLU HA H 87 4.116 4.116 4.212 -0.096 18323 1961 1 6 . 1 1 10 10 GLU C C 87 179.498 179.498 177.996 1.502 18323 1962 1 6 . 1 1 10 10 GLU CA C 87 59.348 59.348 58.387 0.961 18323 1963 1 6 . 1 1 10 10 GLU CB C 87 29.462 29.462 29.314 0.148 18323 1964 1 6 . 1 1 10 10 GLU H H 87 8.225 8.225 7.877 0.348 18323 1965 1 6 . 1 1 11 11 ALA N N 88 121.839 121.839 122.924 -1.085 18323 1966 1 6 . 1 1 11 11 ALA HA H 88 4.243 4.243 4.295 -0.052 18323 1967 1 6 . 1 1 11 11 ALA C C 88 176.715 176.715 179.354 -2.639 18323 1968 1 6 . 1 1 11 11 ALA CA C 88 55.246 55.246 54.816 0.430 18323 1969 1 6 . 1 1 11 11 ALA CB C 88 18.136 18.136 18.575 -0.439 18323 1970 1 6 . 1 1 11 11 ALA H H 88 8.001 8.001 8.333 -0.332 18323 1971 1 6 . 1 1 12 12 PHE N N 89 118.794 118.794 118.633 0.161 18323 1972 1 6 . 1 1 12 12 PHE HA H 89 4.934 4.934 4.104 0.830 18323 1973 1 6 . 1 1 12 12 PHE C C 89 177.370 177.370 178.028 -0.658 18323 1974 1 6 . 1 1 12 12 PHE CA C 89 62.278 62.278 62.118 0.160 18323 1975 1 6 . 1 1 12 12 PHE CB C 89 39.424 39.424 38.513 0.911 18323 1976 1 6 . 1 1 12 12 PHE H H 89 8.630 8.630 7.977 0.653 18323 1977 1 6 . 1 1 13 13 ARG N N 90 115.837 115.837 117.932 -2.095 18323 1978 1 6 . 1 1 13 13 ARG HA H 90 3.862 3.862 4.017 -0.155 18323 1979 1 6 . 1 1 13 13 ARG C C 90 177.590 177.590 178.216 -0.626 18323 1980 1 6 . 1 1 13 13 ARG CA C 90 58.762 58.762 59.280 -0.518 18323 1981 1 6 . 1 1 13 13 ARG CB C 90 30.048 30.048 29.668 0.380 18323 1982 1 6 . 1 1 13 13 ARG H H 90 7.891 7.891 7.812 0.079 18323 1983 1 6 . 1 1 14 14 VAL N N 91 118.382 118.382 117.033 1.349 18323 1984 1 6 . 1 1 14 14 VAL C C 91 176.343 176.343 176.939 -0.596 18323 1985 1 6 . 1 1 14 14 VAL CA C 91 65.794 65.794 65.364 0.430 18323 1986 1 6 . 1 1 14 14 VAL CB C 91 31.220 31.220 31.406 -0.186 18323 1987 1 6 . 1 1 14 14 VAL H H 91 7.407 7.407 7.743 -0.336 18323 1988 1 6 . 1 1 15 15 PHE N N 92 114.257 114.257 116.788 -2.531 18323 1989 1 6 . 1 1 15 15 PHE HA H 92 4.661 4.661 4.238 0.423 18323 1990 1 6 . 1 1 15 15 PHE C C 92 176.378 176.378 177.801 -1.423 18323 1991 1 6 . 1 1 15 15 PHE CA C 92 59.934 59.934 60.552 -0.618 18323 1992 1 6 . 1 1 15 15 PHE CB C 92 41.182 41.182 38.741 2.441 18323 1993 1 6 . 1 1 15 15 PHE H H 92 6.892 6.892 7.254 -0.362 18323 1994 1 6 . 1 1 16 16 ASP N N 93 116.288 116.288 119.546 -3.258 18323 1995 1 6 . 1 1 16 16 ASP HA H 93 4.617 4.617 4.806 -0.189 18323 1996 1 6 . 1 1 16 16 ASP C C 93 177.695 177.695 177.302 0.393 18323 1997 1 6 . 1 1 16 16 ASP CA C 93 51.730 51.730 53.264 -1.534 18323 1998 1 6 . 1 1 16 16 ASP CB C 93 38.838 38.838 38.860 -0.022 18323 1999 1 6 . 1 1 16 16 ASP H H 93 7.847 7.847 8.697 -0.850 18323 2000 1 6 . 1 1 17 17 LYS N N 94 125.440 125.440 120.500 4.940 18323 2001 1 6 . 1 1 17 17 LYS HA H 94 3.889 3.889 3.948 -0.059 18323 2002 1 6 . 1 1 17 17 LYS C C 94 178.290 178.290 177.372 0.918 18323 2003 1 6 . 1 1 17 17 LYS CA C 94 58.762 58.762 59.384 -0.622 18323 2004 1 6 . 1 1 17 17 LYS CB C 94 32.392 32.392 32.647 -0.255 18323 2005 1 6 . 1 1 17 17 LYS H H 94 7.662 7.662 8.431 -0.769 18323 2006 1 6 . 1 1 18 18 ASP N N 95 114.292 114.292 114.865 -0.573 18323 2007 1 6 . 1 1 18 18 ASP HA H 95 4.567 4.567 4.556 0.011 18323 2008 1 6 . 1 1 18 18 ASP C C 95 177.826 177.826 177.119 0.707 18323 2009 1 6 . 1 1 18 18 ASP CA C 95 52.902 52.902 53.114 -0.212 18323 2010 1 6 . 1 1 18 18 ASP CB C 95 39.424 39.424 39.142 0.282 18323 2011 1 6 . 1 1 18 18 ASP H H 95 8.336 8.336 8.195 0.141 18323 2012 1 6 . 1 1 19 19 GLY N N 96 109.374 109.374 107.740 1.634 18323 2013 1 6 . 1 1 19 19 GLY C C 96 175.145 175.145 175.396 -0.251 18323 2014 1 6 . 1 1 19 19 GLY CA C 96 47.042 47.042 46.359 0.683 18323 2015 1 6 . 1 1 19 19 GLY H H 96 7.797 7.797 7.878 -0.081 18323 2016 1 6 . 1 1 20 20 ASN N N 97 119.964 119.964 117.898 2.066 18323 2017 1 6 . 1 1 20 20 ASN HA H 97 4.670 4.670 4.617 0.053 18323 2018 1 6 . 1 1 20 20 ASN C C 97 176.120 176.120 176.766 -0.646 18323 2019 1 6 . 1 1 20 20 ASN CA C 97 52.316 52.316 52.818 -0.501 18323 2020 1 6 . 1 1 20 20 ASN CB C 97 38.252 38.252 39.085 -0.833 18323 2021 1 6 . 1 1 20 20 ASN H H 97 8.430 8.430 8.327 0.103 18323 2022 1 6 . 1 1 21 21 GLY N N 98 112.726 112.726 107.381 5.345 18323 2023 1 6 . 1 1 21 21 GLY C C 98 172.751 172.751 172.785 -0.034 18323 2024 1 6 . 1 1 21 21 GLY CA C 98 44.698 44.698 45.450 -0.752 18323 2025 1 6 . 1 1 21 21 GLY H H 98 10.638 10.638 8.329 2.309 18323 2026 1 6 . 1 1 22 22 TYR N N 99 116.415 116.415 115.904 0.511 18323 2027 1 6 . 1 1 22 22 TYR C C 99 174.795 174.795 173.429 1.366 18323 2028 1 6 . 1 1 22 22 TYR CA C 99 56.418 56.418 56.680 -0.262 18323 2029 1 6 . 1 1 22 22 TYR CB C 99 42.940 42.940 41.847 1.093 18323 2030 1 6 . 1 1 22 22 TYR H H 99 7.708 7.708 7.264 0.444 18323 2031 1 6 . 1 1 23 23 ILE N N 100 127.488 127.488 120.278 7.210 18323 2032 1 6 . 1 1 23 23 ILE C C 100 175.543 175.543 174.994 0.549 18323 2033 1 6 . 1 1 23 23 ILE CA C 100 61.106 61.106 58.806 2.300 18323 2034 1 6 . 1 1 23 23 ILE CB C 100 39.424 39.424 38.567 0.857 18323 2035 1 6 . 1 1 23 23 ILE H H 100 10.197 10.197 8.223 1.974 18323 2036 1 6 . 1 1 24 24 SER N N 101 123.860 123.860 121.806 2.054 18323 2037 1 6 . 1 1 24 24 SER HA H 101 4.973 4.973 4.849 0.124 18323 2038 1 6 . 1 1 24 24 SER C C 101 175.300 175.300 175.203 0.097 18323 2039 1 6 . 1 1 24 24 SER CA C 101 55.832 55.832 56.953 -1.121 18323 2040 1 6 . 1 1 24 24 SER CB C 101 66.966 66.966 65.376 1.590 18323 2041 1 6 . 1 1 24 24 SER H H 101 8.998 8.998 8.888 0.110 18323 2042 1 6 . 1 1 25 25 ALA N N 102 123.328 123.328 125.246 -1.918 18323 2043 1 6 . 1 1 25 25 ALA HA H 102 3.938 3.938 4.072 -0.134 18323 2044 1 6 . 1 1 25 25 ALA C C 102 179.324 179.324 179.202 0.122 18323 2045 1 6 . 1 1 25 25 ALA CA C 102 55.832 55.832 55.210 0.622 18323 2046 1 6 . 1 1 25 25 ALA CB C 102 17.742 17.742 18.526 -0.784 18323 2047 1 6 . 1 1 25 25 ALA H H 102 9.377 9.377 8.969 0.408 18323 2048 1 6 . 1 1 26 26 ALA N N 103 118.536 118.536 120.394 -1.858 18323 2049 1 6 . 1 1 26 26 ALA HA H 103 4.054 4.054 3.842 0.212 18323 2050 1 6 . 1 1 26 26 ALA C C 103 181.535 181.535 179.421 2.114 18323 2051 1 6 . 1 1 26 26 ALA CA C 103 55.246 55.246 54.688 0.558 18323 2052 1 6 . 1 1 26 26 ALA CB C 103 18.328 18.328 18.069 0.259 18323 2053 1 6 . 1 1 26 26 ALA H H 103 8.317 8.317 8.349 -0.032 18323 2054 1 6 . 1 1 27 27 GLU N N 104 120.419 120.419 118.154 2.265 18323 2055 1 6 . 1 1 27 27 GLU HA H 104 4.033 4.033 4.052 -0.019 18323 2056 1 6 . 1 1 27 27 GLU C C 104 178.950 178.950 178.989 -0.039 18323 2057 1 6 . 1 1 27 27 GLU CA C 104 59.348 59.348 59.181 0.167 18323 2058 1 6 . 1 1 27 27 GLU CB C 104 28.876 28.876 29.327 -0.451 18323 2059 1 6 . 1 1 27 27 GLU H H 104 7.977 7.977 7.946 0.031 18323 2060 1 6 . 1 1 28 28 LEU N N 105 120.658 120.658 119.186 1.472 18323 2061 1 6 . 1 1 28 28 LEU HA H 105 4.178 4.178 4.280 -0.102 18323 2062 1 6 . 1 1 28 28 LEU C C 105 178.402 178.402 179.080 -0.678 18323 2063 1 6 . 1 1 28 28 LEU CA C 105 58.176 58.176 57.878 0.298 18323 2064 1 6 . 1 1 28 28 LEU CB C 105 41.768 41.768 41.393 0.375 18323 2065 1 6 . 1 1 28 28 LEU H H 105 8.500 8.500 7.358 1.142 18323 2066 1 6 . 1 1 29 29 ARG N N 106 117.807 117.807 118.255 -0.448 18323 2067 1 6 . 1 1 29 29 ARG HA H 106 4.042 4.042 4.021 0.021 18323 2068 1 6 . 1 1 29 29 ARG C C 106 177.506 177.506 178.785 -1.279 18323 2069 1 6 . 1 1 29 29 ARG CA C 106 59.934 59.934 59.439 0.495 18323 2070 1 6 . 1 1 29 29 ARG CB C 106 30.634 30.634 29.575 1.060 18323 2071 1 6 . 1 1 29 29 ARG H H 106 8.727 8.727 7.531 1.196 18323 2072 1 6 . 1 1 30 30 HIS N N 107 119.849 119.849 119.783 0.066 18323 2073 1 6 . 1 1 30 30 HIS C C 107 177.862 177.862 178.078 -0.216 18323 2074 1 6 . 1 1 30 30 HIS CA C 107 59.934 59.934 58.507 1.427 18323 2075 1 6 . 1 1 30 30 HIS CB C 107 30.634 30.634 30.158 0.476 18323 2076 1 6 . 1 1 30 30 HIS H H 107 8.030 8.030 7.826 0.204 18323 2077 1 6 . 1 1 31 31 VAL N N 108 119.784 119.784 119.894 -0.110 18323 2078 1 6 . 1 1 31 31 VAL C C 108 178.437 178.437 177.868 0.569 18323 2079 1 6 . 1 1 31 31 VAL CA C 108 66.966 66.966 66.727 0.239 18323 2080 1 6 . 1 1 31 31 VAL CB C 108 31.806 31.806 30.931 0.875 18323 2081 1 6 . 1 1 31 31 VAL H H 108 8.322 8.322 8.548 -0.226 18323 2082 1 6 . 1 1 32 32 MET N N 109 115.699 115.699 118.384 -2.685 18323 2083 1 6 . 1 1 32 32 MET HA H 109 4.343 4.343 4.120 0.223 18323 2084 1 6 . 1 1 32 32 MET C C 109 179.296 179.296 178.764 0.532 18323 2085 1 6 . 1 1 32 32 MET CA C 109 57.004 57.004 58.402 -1.398 18323 2086 1 6 . 1 1 32 32 MET CB C 109 29.462 29.462 31.176 -1.714 18323 2087 1 6 . 1 1 32 32 MET H H 109 8.397 8.397 8.486 -0.089 18323 2088 1 6 . 1 1 33 33 THR N N 110 116.362 116.362 115.406 0.956 18323 2089 1 6 . 1 1 33 33 THR C C 110 178.290 178.290 176.587 1.703 18323 2090 1 6 . 1 1 33 33 THR CA C 110 66.380 66.380 67.052 -0.673 18323 2091 1 6 . 1 1 33 33 THR CB C 110 68.724 68.724 68.445 0.279 18323 2092 1 6 . 1 1 33 33 THR H H 110 8.296 8.296 7.900 0.396 18323 2093 1 6 . 1 1 34 34 ASN N N 111 122.809 122.809 119.960 2.849 18323 2094 1 6 . 1 1 34 34 ASN HA H 111 4.619 4.619 4.508 0.111 18323 2095 1 6 . 1 1 34 34 ASN C C 111 176.698 176.698 177.698 -1.000 18323 2096 1 6 . 1 1 34 34 ASN CA C 111 55.832 55.832 55.352 0.480 18323 2097 1 6 . 1 1 34 34 ASN CB C 111 38.252 38.252 38.443 -0.191 18323 2098 1 6 . 1 1 34 34 ASN H H 111 7.936 7.936 8.182 -0.246 18323 2099 1 6 . 1 1 35 35 LEU N N 112 118.523 118.523 117.695 0.828 18323 2100 1 6 . 1 1 35 35 LEU HA H 112 4.322 4.322 4.118 0.204 18323 2101 1 6 . 1 1 35 35 LEU C C 112 177.205 177.205 177.921 -0.716 18323 2102 1 6 . 1 1 35 35 LEU CA C 112 55.246 55.246 56.345 -1.099 18323 2103 1 6 . 1 1 35 35 LEU CB C 112 42.354 42.354 42.364 -0.010 18323 2104 1 6 . 1 1 35 35 LEU H H 112 7.815 7.815 8.305 -0.490 18323 2105 1 6 . 1 1 36 36 GLY N N 113 107.203 107.203 104.149 3.054 18323 2106 1 6 . 1 1 36 36 GLY C C 113 174.354 174.354 173.994 0.360 18323 2107 1 6 . 1 1 36 36 GLY CA C 113 45.284 45.284 44.415 0.869 18323 2108 1 6 . 1 1 36 36 GLY H H 113 7.853 7.853 7.266 0.587 18323 2109 1 6 . 1 1 37 37 GLU N N 114 120.199 120.199 121.706 -1.507 18323 2110 1 6 . 1 1 37 37 GLU HA H 114 4.435 4.435 4.507 -0.072 18323 2111 1 6 . 1 1 37 37 GLU C C 114 175.359 175.359 175.663 -0.304 18323 2112 1 6 . 1 1 37 37 GLU CA C 114 54.660 54.660 54.654 0.006 18323 2113 1 6 . 1 1 37 37 GLU CB C 114 30.634 30.634 31.377 -0.743 18323 2114 1 6 . 1 1 37 37 GLU H H 114 7.909 7.909 8.557 -0.648 18323 2115 1 6 . 1 1 38 38 LYS N N 115 124.425 124.425 126.223 -1.798 18323 2116 1 6 . 1 1 38 38 LYS HA H 115 4.372 4.372 4.232 0.140 18323 2117 1 6 . 1 1 38 38 LYS C C 115 175.464 175.464 176.282 -0.818 18323 2118 1 6 . 1 1 38 38 LYS CA C 115 55.246 55.246 56.155 -0.909 18323 2119 1 6 . 1 1 38 38 LYS CB C 115 31.806 31.806 31.897 -0.091 18323 2120 1 6 . 1 1 38 38 LYS H H 115 8.642 8.642 8.722 -0.080 18323 2121 1 6 . 1 1 39 39 LEU N N 116 125.258 125.258 125.734 -0.476 18323 2122 1 6 . 1 1 39 39 LEU HA H 116 4.742 4.742 4.350 0.392 18323 2123 1 6 . 1 1 39 39 LEU C C 116 178.351 178.351 176.952 1.399 18323 2124 1 6 . 1 1 39 39 LEU CA C 116 54.074 54.074 55.015 -0.941 18323 2125 1 6 . 1 1 39 39 LEU CB C 116 44.112 44.112 43.265 0.847 18323 2126 1 6 . 1 1 39 39 LEU H H 116 8.102 8.102 7.926 0.176 18323 2127 1 6 . 1 1 40 40 THR N N 117 114.811 114.811 111.024 3.787 18323 2128 1 6 . 1 1 40 40 THR HA H 117 4.744 4.744 4.599 0.145 18323 2129 1 6 . 1 1 40 40 THR C C 117 175.522 175.522 175.089 0.433 18323 2130 1 6 . 1 1 40 40 THR CA C 117 60.520 60.520 60.590 -0.070 18323 2131 1 6 . 1 1 40 40 THR CB C 117 71.068 71.068 71.538 -0.470 18323 2132 1 6 . 1 1 40 40 THR H H 117 9.297 9.297 8.511 0.786 18323 2133 1 6 . 1 1 41 41 ASP N N 118 121.232 121.232 125.129 -3.897 18323 2134 1 6 . 1 1 41 41 ASP C C 118 178.644 178.644 178.306 0.338 18323 2135 1 6 . 1 1 41 41 ASP CA C 118 57.590 57.590 57.745 -0.155 18323 2136 1 6 . 1 1 41 41 ASP CB C 118 39.424 39.424 40.346 -0.922 18323 2137 1 6 . 1 1 41 41 ASP H H 118 8.967 8.967 9.040 -0.073 18323 2138 1 6 . 1 1 42 42 GLU N N 119 119.357 119.357 117.989 1.368 18323 2139 1 6 . 1 1 42 42 GLU HA H 119 4.051 4.051 3.995 0.056 18323 2140 1 6 . 1 1 42 42 GLU C C 119 178.847 178.847 178.975 -0.128 18323 2141 1 6 . 1 1 42 42 GLU CA C 119 59.934 59.934 59.597 0.336 18323 2142 1 6 . 1 1 42 42 GLU CB C 119 28.876 28.876 29.349 -0.474 18323 2143 1 6 . 1 1 42 42 GLU H H 119 8.679 8.679 8.858 -0.179 18323 2144 1 6 . 1 1 43 43 GLU N N 120 118.761 118.761 120.000 -1.239 18323 2145 1 6 . 1 1 43 43 GLU HA H 120 4.003 4.003 4.067 -0.064 18323 2146 1 6 . 1 1 43 43 GLU C C 120 179.996 179.996 179.051 0.945 18323 2147 1 6 . 1 1 43 43 GLU CA C 120 59.348 59.348 59.029 0.319 18323 2148 1 6 . 1 1 43 43 GLU CB C 120 30.048 30.048 29.793 0.255 18323 2149 1 6 . 1 1 43 43 GLU H H 120 7.998 7.998 7.531 0.467 18323 2150 1 6 . 1 1 44 44 VAL N N 121 121.165 121.165 120.960 0.205 18323 2151 1 6 . 1 1 44 44 VAL HA H 121 3.439 3.439 3.579 -0.140 18323 2152 1 6 . 1 1 44 44 VAL C C 121 177.489 177.489 177.654 -0.165 18323 2153 1 6 . 1 1 44 44 VAL CA C 121 66.966 66.966 67.199 -0.233 18323 2154 1 6 . 1 1 44 44 VAL CB C 121 31.220 31.220 31.576 -0.356 18323 2155 1 6 . 1 1 44 44 VAL H H 121 8.051 8.051 8.518 -0.467 18323 2156 1 6 . 1 1 45 45 ASP N N 122 119.507 119.507 118.565 0.942 18323 2157 1 6 . 1 1 45 45 ASP HA H 122 4.338 4.338 4.256 0.082 18323 2158 1 6 . 1 1 45 45 ASP C C 122 179.226 179.226 178.909 0.317 18323 2159 1 6 . 1 1 45 45 ASP CA C 122 57.590 57.590 57.458 0.132 18323 2160 1 6 . 1 1 45 45 ASP CB C 122 40.596 40.596 40.759 -0.163 18323 2161 1 6 . 1 1 45 45 ASP H H 122 8.092 8.092 8.371 -0.279 18323 2162 1 6 . 1 1 46 46 GLU N N 123 119.871 119.871 119.017 0.854 18323 2163 1 6 . 1 1 46 46 GLU HA H 123 4.033 4.033 4.036 -0.003 18323 2164 1 6 . 1 1 46 46 GLU C C 123 178.612 178.612 178.786 -0.174 18323 2165 1 6 . 1 1 46 46 GLU CA C 123 59.348 59.348 58.713 0.635 18323 2166 1 6 . 1 1 46 46 GLU CB C 123 29.462 29.462 29.650 -0.188 18323 2167 1 6 . 1 1 46 46 GLU H H 123 8.131 8.131 7.618 0.513 18323 2168 1 6 . 1 1 47 47 MET N N 124 119.395 119.395 121.262 -1.867 18323 2169 1 6 . 1 1 47 47 MET CA C 124 60.520 60.520 58.736 1.784 18323 2170 1 6 . 1 1 47 47 MET CB C 124 32.978 32.978 32.214 0.764 18323 2171 1 6 . 1 1 47 47 MET H H 124 7.781 7.781 8.355 -0.574 18323 2172 1 6 . 1 1 48 48 ILE HA H 125 4.234 4.234 3.578 0.656 18323 2173 1 6 . 1 1 48 48 ILE C C 125 177.530 177.530 177.857 -0.327 18323 2174 1 6 . 1 1 48 48 ILE CA C 125 63.450 63.450 65.245 -1.795 18323 2175 1 6 . 1 1 48 48 ILE CB C 125 35.908 35.908 37.478 -1.570 18323 2176 1 6 . 1 1 49 49 ARG N N 126 118.403 118.403 119.373 -0.970 18323 2177 1 6 . 1 1 49 49 ARG HA H 126 4.105 4.105 3.962 0.143 18323 2178 1 6 . 1 1 49 49 ARG C C 126 178.928 178.928 178.354 0.574 18323 2179 1 6 . 1 1 49 49 ARG CA C 126 59.934 59.934 59.022 0.912 18323 2180 1 6 . 1 1 49 49 ARG CB C 126 30.414 30.414 29.415 0.999 18323 2181 1 6 . 1 1 49 49 ARG H H 126 8.555 8.555 7.554 1.001 18323 2182 1 6 . 1 1 50 50 GLU N N 127 116.347 116.347 117.395 -1.048 18323 2183 1 6 . 1 1 50 50 GLU HA H 127 4.039 4.039 4.191 -0.152 18323 2184 1 6 . 1 1 50 50 GLU C C 127 176.941 176.941 177.897 -0.956 18323 2185 1 6 . 1 1 50 50 GLU CA C 127 58.762 58.762 58.169 0.593 18323 2186 1 6 . 1 1 50 50 GLU CB C 127 30.048 30.048 29.844 0.204 18323 2187 1 6 . 1 1 50 50 GLU H H 127 7.990 7.990 7.743 0.247 18323 2188 1 6 . 1 1 51 51 ALA N N 128 117.251 117.251 120.963 -3.712 18323 2189 1 6 . 1 1 51 51 ALA HA H 128 4.456 4.456 4.105 0.351 18323 2190 1 6 . 1 1 51 51 ALA C C 128 177.757 177.757 177.860 -0.103 18323 2191 1 6 . 1 1 51 51 ALA CA C 128 51.730 51.730 53.342 -1.612 18323 2192 1 6 . 1 1 51 51 ALA CB C 128 21.844 21.844 19.302 2.542 18323 2193 1 6 . 1 1 51 51 ALA H H 128 7.126 7.126 7.516 -0.390 18323 2194 1 6 . 1 1 52 52 ASP N N 129 117.909 117.909 118.534 -0.625 18323 2195 1 6 . 1 1 52 52 ASP HA H 129 4.502 4.502 4.450 0.052 18323 2196 1 6 . 1 1 52 52 ASP C C 129 175.854 175.854 176.805 -0.951 18323 2197 1 6 . 1 1 52 52 ASP CA C 129 54.074 54.074 55.357 -1.283 18323 2198 1 6 . 1 1 52 52 ASP CB C 129 40.596 40.596 41.020 -0.424 18323 2199 1 6 . 1 1 52 52 ASP H H 129 7.962 7.962 8.360 -0.398 18323 2200 1 6 . 1 1 53 53 ILE N N 130 127.900 127.900 125.191 2.709 18323 2201 1 6 . 1 1 53 53 ILE C C 130 177.995 177.995 177.308 0.687 18323 2202 1 6 . 1 1 53 53 ILE CA C 130 63.450 63.450 61.568 1.882 18323 2203 1 6 . 1 1 53 53 ILE CB C 130 38.838 38.838 37.896 0.942 18323 2204 1 6 . 1 1 53 53 ILE H H 130 8.261 8.261 8.222 0.039 18323 2205 1 6 . 1 1 54 54 ASP N N 131 116.678 116.678 118.546 -1.868 18323 2206 1 6 . 1 1 54 54 ASP HA H 131 4.541 4.541 4.698 -0.157 18323 2207 1 6 . 1 1 54 54 ASP C C 131 178.283 178.283 177.132 1.151 18323 2208 1 6 . 1 1 54 54 ASP CA C 131 54.074 54.074 54.006 0.068 18323 2209 1 6 . 1 1 54 54 ASP CB C 131 40.010 40.010 40.788 -0.778 18323 2210 1 6 . 1 1 54 54 ASP H H 131 8.372 8.372 7.984 0.388 18323 2211 1 6 . 1 1 55 55 GLY N N 132 108.866 108.866 109.167 -0.301 18323 2212 1 6 . 1 1 55 55 GLY C C 132 175.365 175.365 174.509 0.856 18323 2213 1 6 . 1 1 55 55 GLY CA C 132 47.628 47.628 46.186 1.442 18323 2214 1 6 . 1 1 55 55 GLY H H 132 7.679 7.679 8.591 -0.912 18323 2215 1 6 . 1 1 56 56 ASP N N 133 120.968 120.968 119.677 1.291 18323 2216 1 6 . 1 1 56 56 ASP HA H 133 4.493 4.493 4.618 -0.125 18323 2217 1 6 . 1 1 56 56 ASP C C 133 177.582 177.582 177.260 0.322 18323 2218 1 6 . 1 1 56 56 ASP CA C 133 53.488 53.488 53.776 -0.289 18323 2219 1 6 . 1 1 56 56 ASP CB C 133 40.010 40.010 42.825 -2.815 18323 2220 1 6 . 1 1 56 56 ASP H H 133 8.415 8.415 8.291 0.124 18323 2221 1 6 . 1 1 57 57 GLY N N 134 112.821 112.821 109.349 3.472 18323 2222 1 6 . 1 1 57 57 GLY C C 134 172.847 172.847 172.434 0.413 18323 2223 1 6 . 1 1 57 57 GLY CA C 134 45.870 45.870 45.246 0.624 18323 2224 1 6 . 1 1 57 57 GLY H H 134 10.300 10.300 8.680 1.620 18323 2225 1 6 . 1 1 58 58 GLN N N 135 115.391 115.391 117.685 -2.294 18323 2226 1 6 . 1 1 58 58 GLN HA H 135 5.003 5.003 5.125 -0.122 18323 2227 1 6 . 1 1 58 58 GLN C C 135 175.019 175.019 174.860 0.159 18323 2228 1 6 . 1 1 58 58 GLN CA C 135 52.902 52.902 54.320 -1.418 18323 2229 1 6 . 1 1 58 58 GLN CB C 135 32.978 32.978 32.267 0.712 18323 2230 1 6 . 1 1 58 58 GLN H H 135 8.022 8.022 7.577 0.445 18323 2231 1 6 . 1 1 59 59 VAL N N 136 125.596 125.596 119.693 5.903 18323 2232 1 6 . 1 1 59 59 VAL HA H 136 5.134 5.134 4.692 0.442 18323 2233 1 6 . 1 1 59 59 VAL C C 136 175.912 175.912 174.917 0.995 18323 2234 1 6 . 1 1 59 59 VAL CA C 136 61.613 61.613 59.825 1.788 18323 2235 1 6 . 1 1 59 59 VAL CB C 136 33.694 33.694 34.700 -1.006 18323 2236 1 6 . 1 1 59 59 VAL H H 136 9.176 9.176 8.354 0.822 18323 2237 1 6 . 1 1 60 60 ASN N N 137 129.229 129.229 124.353 4.876 18323 2238 1 6 . 1 1 60 60 ASN HA H 137 5.371 5.371 4.637 0.734 18323 2239 1 6 . 1 1 60 60 ASN C C 137 174.805 174.805 176.668 -1.863 18323 2240 1 6 . 1 1 60 60 ASN CA C 137 51.144 51.144 54.279 -3.135 18323 2241 1 6 . 1 1 60 60 ASN CB C 137 38.252 38.252 38.904 -0.652 18323 2242 1 6 . 1 1 60 60 ASN H H 137 9.576 9.576 8.314 1.262 18323 2243 1 6 . 1 1 61 61 TYR N N 138 118.597 118.597 119.244 -0.647 18323 2244 1 6 . 1 1 61 61 TYR C C 138 176.119 176.119 177.884 -1.765 18323 2245 1 6 . 1 1 61 61 TYR CA C 138 62.278 62.278 62.271 0.007 18323 2246 1 6 . 1 1 61 61 TYR CB C 138 37.666 37.666 38.079 -0.413 18323 2247 1 6 . 1 1 61 61 TYR H H 138 8.268 8.268 8.877 -0.609 18323 2248 1 6 . 1 1 62 62 GLU N N 139 118.441 118.441 120.176 -1.735 18323 2249 1 6 . 1 1 62 62 GLU HA H 139 4.123 4.123 4.168 -0.045 18323 2250 1 6 . 1 1 62 62 GLU C C 139 179.189 179.189 178.768 0.421 18323 2251 1 6 . 1 1 62 62 GLU CA C 139 59.934 59.934 59.943 -0.009 18323 2252 1 6 . 1 1 62 62 GLU CB C 139 28.876 28.876 29.091 -0.215 18323 2253 1 6 . 1 1 62 62 GLU H H 139 8.087 8.087 8.926 -0.839 18323 2254 1 6 . 1 1 63 63 GLU N N 140 120.992 120.992 117.257 3.735 18323 2255 1 6 . 1 1 63 63 GLU HA H 140 3.914 3.914 4.091 -0.177 18323 2256 1 6 . 1 1 63 63 GLU C C 140 179.328 179.328 177.985 1.343 18323 2257 1 6 . 1 1 63 63 GLU CA C 140 58.762 58.762 59.068 -0.306 18323 2258 1 6 . 1 1 63 63 GLU CB C 140 29.462 29.462 29.244 0.218 18323 2259 1 6 . 1 1 63 63 GLU H H 140 7.761 7.761 8.788 -1.027 18323 2260 1 6 . 1 1 64 64 PHE N N 141 123.798 123.798 118.229 5.569 18323 2261 1 6 . 1 1 64 64 PHE C C 141 176.843 176.843 177.092 -0.249 18323 2262 1 6 . 1 1 64 64 PHE CA C 141 61.692 61.692 60.416 1.276 18323 2263 1 6 . 1 1 64 64 PHE CB C 141 39.917 39.917 40.129 -0.212 18323 2264 1 6 . 1 1 64 64 PHE H H 141 8.529 8.529 7.432 1.097 18323 2265 1 6 . 1 1 65 65 VAL N N 142 119.218 119.218 117.079 2.139 18323 2266 1 6 . 1 1 65 65 VAL C C 142 179.497 179.497 177.002 2.495 18323 2267 1 6 . 1 1 65 65 VAL CA C 142 66.966 66.966 64.645 2.321 18323 2268 1 6 . 1 1 65 65 VAL CB C 142 31.220 31.220 30.977 0.243 18323 2269 1 6 . 1 1 65 65 VAL H H 142 8.672 8.672 8.246 0.426 18323 2270 1 6 . 1 1 66 66 GLN N N 143 118.362 118.362 119.477 -1.115 18323 2271 1 6 . 1 1 66 66 GLN HA H 143 3.845 3.845 4.047 -0.202 18323 2272 1 6 . 1 1 66 66 GLN C C 143 177.881 177.881 177.200 0.681 18323 2273 1 6 . 1 1 66 66 GLN CA C 143 58.762 58.762 58.414 0.348 18323 2274 1 6 . 1 1 66 66 GLN CB C 143 27.704 27.704 28.732 -1.028 18323 2275 1 6 . 1 1 66 66 GLN H H 143 7.550 7.550 8.093 -0.543 18323 2276 1 6 . 1 1 67 67 MET N N 144 116.720 116.720 114.896 1.824 18323 2277 1 6 . 1 1 67 67 MET C C 144 177.803 177.803 177.004 0.799 18323 2278 1 6 . 1 1 67 67 MET CA C 144 56.418 56.418 56.025 0.393 18323 2279 1 6 . 1 1 67 67 MET CB C 144 31.806 31.806 33.370 -1.564 18323 2280 1 6 . 1 1 67 67 MET H H 144 7.300 7.300 7.300 0.000 18323 2281 1 6 . 1 1 68 68 MET N N 145 116.116 116.116 119.951 -3.835 18323 2282 1 6 . 1 1 68 68 MET HA H 145 4.115 4.115 4.058 0.057 18323 2283 1 6 . 1 1 68 68 MET C C 145 177.203 177.203 176.397 0.806 18323 2284 1 6 . 1 1 68 68 MET CA C 145 56.418 56.418 56.046 0.372 18323 2285 1 6 . 1 1 68 68 MET CB C 145 31.806 31.806 33.476 -1.670 18323 2286 1 6 . 1 1 68 68 MET H H 145 7.732 7.732 7.795 -0.063 18323 2287 1 6 . 1 1 69 69 THR N N 146 108.868 108.868 119.283 -10.415 18323 2288 1 6 . 1 1 69 69 THR HA H 146 4.288 4.288 4.108 0.180 18323 2289 1 6 . 1 1 69 69 THR C C 146 174.154 174.154 174.203 -0.049 18323 2290 1 6 . 1 1 69 69 THR CA C 146 61.692 61.692 63.846 -2.154 18323 2291 1 6 . 1 1 69 69 THR CB C 146 69.896 69.896 69.220 0.676 18323 2292 1 6 . 1 1 69 69 THR H H 146 7.649 7.649 8.298 -0.649 18323 2293 1 6 . 1 1 70 70 ALA N N 147 126.934 126.934 123.092 3.842 18323 2294 1 6 . 1 1 70 70 ALA HA H 147 4.287 4.287 4.166 0.121 18323 2295 1 6 . 1 1 70 70 ALA C C 147 176.686 176.686 177.584 -0.898 18323 2296 1 6 . 1 1 70 70 ALA CA C 147 52.902 52.902 52.806 0.096 18323 2297 1 6 . 1 1 70 70 ALA CB C 147 18.914 18.914 18.770 0.144 18323 2298 1 6 . 1 1 70 70 ALA H H 147 7.546 7.546 7.866 -0.320 18323 2299 1 7 . 1 1 2 2 THR N N 79 114.287 114.287 116.264 -1.977 18323 2300 1 7 . 1 1 2 2 THR HA H 79 4.281 4.281 4.531 -0.250 18323 2301 1 7 . 1 1 2 2 THR C C 79 174.598 174.598 174.479 0.119 18323 2302 1 7 . 1 1 2 2 THR CA C 79 62.278 62.278 62.326 -0.048 18323 2303 1 7 . 1 1 2 2 THR CB C 79 69.310 69.310 69.478 -0.168 18323 2304 1 7 . 1 1 2 2 THR H H 79 8.299 8.299 8.342 -0.043 18323 2305 1 7 . 1 1 3 3 ASP N N 80 122.311 122.311 127.449 -5.138 18323 2306 1 7 . 1 1 3 3 ASP C C 80 176.788 176.788 177.473 -0.685 18323 2307 1 7 . 1 1 3 3 ASP CA C 80 54.660 54.660 55.376 -0.716 18323 2308 1 7 . 1 1 3 3 ASP CB C 80 41.182 41.182 41.778 -0.596 18323 2309 1 7 . 1 1 3 3 ASP H H 80 8.447 8.447 8.823 -0.376 18323 2310 1 7 . 1 1 4 4 SER N N 81 116.934 116.934 113.651 3.283 18323 2311 1 7 . 1 1 4 4 SER HA H 81 4.022 4.022 4.066 -0.044 18323 2312 1 7 . 1 1 4 4 SER C C 81 175.337 175.337 174.755 0.582 18323 2313 1 7 . 1 1 4 4 SER CA C 81 58.762 58.762 60.359 -1.597 18323 2314 1 7 . 1 1 4 4 SER CB C 81 64.036 64.036 62.269 1.767 18323 2315 1 7 . 1 1 4 4 SER H H 81 8.351 8.351 8.198 0.153 18323 2316 1 7 . 1 1 5 5 GLU N N 82 123.423 123.423 122.595 0.828 18323 2317 1 7 . 1 1 5 5 GLU HA H 82 4.112 4.112 4.049 0.063 18323 2318 1 7 . 1 1 5 5 GLU C C 82 178.067 178.067 177.948 0.119 18323 2319 1 7 . 1 1 5 5 GLU CA C 82 59.348 59.348 58.556 0.792 18323 2320 1 7 . 1 1 5 5 GLU CB C 82 46.749 46.749 29.521 17.228 18323 2321 1 7 . 1 1 5 5 GLU H H 82 8.588 8.588 7.981 0.607 18323 2322 1 7 . 1 1 6 6 GLU N N 83 118.987 118.987 119.960 -0.973 18323 2323 1 7 . 1 1 6 6 GLU CA C 83 59.348 59.348 59.644 -0.296 18323 2324 1 7 . 1 1 6 6 GLU CB C 83 29.462 29.462 29.143 0.319 18323 2325 1 7 . 1 1 6 6 GLU H H 83 8.412 8.412 7.953 0.459 18323 2326 1 7 . 1 1 7 7 GLU HA H 84 4.116 4.116 4.072 0.044 18323 2327 1 7 . 1 1 7 7 GLU C C 84 178.969 178.969 179.390 -0.421 18323 2328 1 7 . 1 1 7 7 GLU CA C 84 59.348 59.348 59.295 0.053 18323 2329 1 7 . 1 1 7 7 GLU CB C 84 29.462 29.462 29.442 0.020 18323 2330 1 7 . 1 1 8 8 ILE N N 85 121.839 121.839 119.869 1.970 18323 2331 1 7 . 1 1 8 8 ILE HA H 85 3.917 3.917 3.760 0.157 18323 2332 1 7 . 1 1 8 8 ILE C C 85 178.283 178.283 178.600 -0.317 18323 2333 1 7 . 1 1 8 8 ILE CA C 85 65.208 65.208 65.227 -0.019 18323 2334 1 7 . 1 1 8 8 ILE CB C 85 37.080 37.080 37.920 -0.840 18323 2335 1 7 . 1 1 8 8 ILE H H 85 8.001 8.001 8.070 -0.069 18323 2336 1 7 . 1 1 9 9 ARG N N 86 121.328 121.328 120.622 0.706 18323 2337 1 7 . 1 1 9 9 ARG HA H 86 4.260 4.260 4.055 0.205 18323 2338 1 7 . 1 1 9 9 ARG C C 86 179.291 179.291 178.608 0.683 18323 2339 1 7 . 1 1 9 9 ARG CA C 86 59.934 59.934 60.245 -0.311 18323 2340 1 7 . 1 1 9 9 ARG CB C 86 29.462 29.462 30.115 -0.653 18323 2341 1 7 . 1 1 9 9 ARG H H 86 8.544 8.544 8.735 -0.191 18323 2342 1 7 . 1 1 10 10 GLU N N 87 118.332 118.332 118.024 0.308 18323 2343 1 7 . 1 1 10 10 GLU HA H 87 4.116 4.116 4.134 -0.018 18323 2344 1 7 . 1 1 10 10 GLU C C 87 179.498 179.498 178.404 1.094 18323 2345 1 7 . 1 1 10 10 GLU CA C 87 59.348 59.348 58.457 0.891 18323 2346 1 7 . 1 1 10 10 GLU CB C 87 29.462 29.462 29.367 0.095 18323 2347 1 7 . 1 1 10 10 GLU H H 87 8.225 8.225 8.041 0.184 18323 2348 1 7 . 1 1 11 11 ALA N N 88 121.839 121.839 122.970 -1.131 18323 2349 1 7 . 1 1 11 11 ALA HA H 88 4.243 4.243 4.241 0.002 18323 2350 1 7 . 1 1 11 11 ALA C C 88 176.715 176.715 179.123 -2.408 18323 2351 1 7 . 1 1 11 11 ALA CA C 88 55.246 55.246 54.855 0.391 18323 2352 1 7 . 1 1 11 11 ALA CB C 88 18.136 18.136 18.512 -0.376 18323 2353 1 7 . 1 1 11 11 ALA H H 88 8.001 8.001 8.342 -0.341 18323 2354 1 7 . 1 1 12 12 PHE N N 89 118.794 118.794 118.997 -0.203 18323 2355 1 7 . 1 1 12 12 PHE HA H 89 4.934 4.934 3.951 0.983 18323 2356 1 7 . 1 1 12 12 PHE C C 89 177.370 177.370 178.317 -0.947 18323 2357 1 7 . 1 1 12 12 PHE CA C 89 62.278 62.278 62.928 -0.650 18323 2358 1 7 . 1 1 12 12 PHE CB C 89 39.424 39.424 38.448 0.976 18323 2359 1 7 . 1 1 12 12 PHE H H 89 8.630 8.630 7.744 0.886 18323 2360 1 7 . 1 1 13 13 ARG N N 90 115.837 115.837 117.371 -1.534 18323 2361 1 7 . 1 1 13 13 ARG HA H 90 3.862 3.862 3.998 -0.136 18323 2362 1 7 . 1 1 13 13 ARG C C 90 177.590 177.590 177.734 -0.144 18323 2363 1 7 . 1 1 13 13 ARG CA C 90 58.762 58.762 59.509 -0.747 18323 2364 1 7 . 1 1 13 13 ARG CB C 90 30.048 30.048 30.006 0.042 18323 2365 1 7 . 1 1 13 13 ARG H H 90 7.891 7.891 7.546 0.345 18323 2366 1 7 . 1 1 14 14 VAL N N 91 118.382 118.382 117.918 0.464 18323 2367 1 7 . 1 1 14 14 VAL C C 91 176.343 176.343 177.964 -1.621 18323 2368 1 7 . 1 1 14 14 VAL CA C 91 65.794 65.794 65.503 0.291 18323 2369 1 7 . 1 1 14 14 VAL CB C 91 31.220 31.220 31.523 -0.303 18323 2370 1 7 . 1 1 14 14 VAL H H 91 7.407 7.407 7.252 0.155 18323 2371 1 7 . 1 1 15 15 PHE N N 92 114.257 114.257 117.406 -3.149 18323 2372 1 7 . 1 1 15 15 PHE HA H 92 4.661 4.661 4.189 0.472 18323 2373 1 7 . 1 1 15 15 PHE C C 92 176.378 176.378 177.579 -1.201 18323 2374 1 7 . 1 1 15 15 PHE CA C 92 59.934 59.934 60.454 -0.520 18323 2375 1 7 . 1 1 15 15 PHE CB C 92 41.182 41.182 38.735 2.447 18323 2376 1 7 . 1 1 15 15 PHE H H 92 6.892 6.892 8.332 -1.440 18323 2377 1 7 . 1 1 16 16 ASP N N 93 116.288 116.288 119.794 -3.506 18323 2378 1 7 . 1 1 16 16 ASP HA H 93 4.617 4.617 4.853 -0.236 18323 2379 1 7 . 1 1 16 16 ASP C C 93 177.695 177.695 177.849 -0.154 18323 2380 1 7 . 1 1 16 16 ASP CA C 93 51.730 51.730 53.572 -1.842 18323 2381 1 7 . 1 1 16 16 ASP CB C 93 38.838 38.838 39.123 -0.285 18323 2382 1 7 . 1 1 16 16 ASP H H 93 7.847 7.847 8.704 -0.857 18323 2383 1 7 . 1 1 17 17 LYS N N 94 125.440 125.440 122.247 3.193 18323 2384 1 7 . 1 1 17 17 LYS HA H 94 3.889 3.889 3.845 0.044 18323 2385 1 7 . 1 1 17 17 LYS C C 94 178.290 178.290 177.918 0.372 18323 2386 1 7 . 1 1 17 17 LYS CA C 94 58.762 58.762 59.427 -0.665 18323 2387 1 7 . 1 1 17 17 LYS CB C 94 32.392 32.392 32.299 0.093 18323 2388 1 7 . 1 1 17 17 LYS H H 94 7.662 7.662 8.669 -1.007 18323 2389 1 7 . 1 1 18 18 ASP N N 95 114.292 114.292 115.530 -1.238 18323 2390 1 7 . 1 1 18 18 ASP HA H 95 4.567 4.567 4.544 0.023 18323 2391 1 7 . 1 1 18 18 ASP C C 95 177.826 177.826 176.628 1.198 18323 2392 1 7 . 1 1 18 18 ASP CA C 95 52.902 52.902 54.480 -1.578 18323 2393 1 7 . 1 1 18 18 ASP CB C 95 39.424 39.424 40.756 -1.332 18323 2394 1 7 . 1 1 18 18 ASP H H 95 8.336 8.336 8.243 0.093 18323 2395 1 7 . 1 1 19 19 GLY N N 96 109.374 109.374 108.083 1.291 18323 2396 1 7 . 1 1 19 19 GLY C C 96 175.145 175.145 174.596 0.549 18323 2397 1 7 . 1 1 19 19 GLY CA C 96 47.042 47.042 46.320 0.722 18323 2398 1 7 . 1 1 19 19 GLY H H 96 7.797 7.797 8.453 -0.656 18323 2399 1 7 . 1 1 20 20 ASN N N 97 119.964 119.964 118.279 1.685 18323 2400 1 7 . 1 1 20 20 ASN HA H 97 4.670 4.670 4.759 -0.089 18323 2401 1 7 . 1 1 20 20 ASN C C 97 176.120 176.120 176.155 -0.035 18323 2402 1 7 . 1 1 20 20 ASN CA C 97 52.316 52.316 51.961 0.355 18323 2403 1 7 . 1 1 20 20 ASN CB C 97 38.252 38.252 39.281 -1.029 18323 2404 1 7 . 1 1 20 20 ASN H H 97 8.430 8.430 8.526 -0.096 18323 2405 1 7 . 1 1 21 21 GLY N N 98 112.726 112.726 107.991 4.735 18323 2406 1 7 . 1 1 21 21 GLY C C 98 172.751 172.751 172.651 0.100 18323 2407 1 7 . 1 1 21 21 GLY CA C 98 44.698 44.698 45.292 -0.594 18323 2408 1 7 . 1 1 21 21 GLY H H 98 10.638 10.638 8.155 2.483 18323 2409 1 7 . 1 1 22 22 TYR N N 99 116.415 116.415 115.648 0.767 18323 2410 1 7 . 1 1 22 22 TYR C C 99 174.795 174.795 174.340 0.455 18323 2411 1 7 . 1 1 22 22 TYR CA C 99 56.418 56.418 56.462 -0.044 18323 2412 1 7 . 1 1 22 22 TYR CB C 99 42.940 42.940 42.080 0.860 18323 2413 1 7 . 1 1 22 22 TYR H H 99 7.708 7.708 7.907 -0.199 18323 2414 1 7 . 1 1 23 23 ILE N N 100 127.488 127.488 122.565 4.923 18323 2415 1 7 . 1 1 23 23 ILE C C 100 175.543 175.543 175.441 0.102 18323 2416 1 7 . 1 1 23 23 ILE CA C 100 61.106 61.106 59.594 1.512 18323 2417 1 7 . 1 1 23 23 ILE CB C 100 39.424 39.424 38.142 1.282 18323 2418 1 7 . 1 1 23 23 ILE H H 100 10.197 10.197 8.643 1.554 18323 2419 1 7 . 1 1 24 24 SER N N 101 123.860 123.860 122.431 1.429 18323 2420 1 7 . 1 1 24 24 SER HA H 101 4.973 4.973 4.835 0.138 18323 2421 1 7 . 1 1 24 24 SER C C 101 175.300 175.300 175.447 -0.147 18323 2422 1 7 . 1 1 24 24 SER CA C 101 55.832 55.832 56.645 -0.813 18323 2423 1 7 . 1 1 24 24 SER CB C 101 66.966 66.966 65.187 1.779 18323 2424 1 7 . 1 1 24 24 SER H H 101 8.998 8.998 8.997 0.001 18323 2425 1 7 . 1 1 25 25 ALA N N 102 123.328 123.328 127.689 -4.361 18323 2426 1 7 . 1 1 25 25 ALA HA H 102 3.938 3.938 4.085 -0.147 18323 2427 1 7 . 1 1 25 25 ALA C C 102 179.324 179.324 178.768 0.556 18323 2428 1 7 . 1 1 25 25 ALA CA C 102 55.832 55.832 55.420 0.412 18323 2429 1 7 . 1 1 25 25 ALA CB C 102 17.742 17.742 18.703 -0.961 18323 2430 1 7 . 1 1 25 25 ALA H H 102 9.377 9.377 9.033 0.344 18323 2431 1 7 . 1 1 26 26 ALA N N 103 118.536 118.536 119.662 -1.126 18323 2432 1 7 . 1 1 26 26 ALA HA H 103 4.054 4.054 3.968 0.086 18323 2433 1 7 . 1 1 26 26 ALA C C 103 181.535 181.535 179.553 1.982 18323 2434 1 7 . 1 1 26 26 ALA CA C 103 55.246 55.246 54.903 0.343 18323 2435 1 7 . 1 1 26 26 ALA CB C 103 18.328 18.328 18.382 -0.054 18323 2436 1 7 . 1 1 26 26 ALA H H 103 8.317 8.317 7.901 0.416 18323 2437 1 7 . 1 1 27 27 GLU N N 104 120.419 120.419 118.597 1.822 18323 2438 1 7 . 1 1 27 27 GLU HA H 104 4.033 4.033 4.079 -0.046 18323 2439 1 7 . 1 1 27 27 GLU C C 104 178.950 178.950 178.938 0.012 18323 2440 1 7 . 1 1 27 27 GLU CA C 104 59.348 59.348 59.242 0.106 18323 2441 1 7 . 1 1 27 27 GLU CB C 104 28.876 28.876 29.508 -0.632 18323 2442 1 7 . 1 1 27 27 GLU H H 104 7.977 7.977 7.692 0.285 18323 2443 1 7 . 1 1 28 28 LEU N N 105 120.658 120.658 119.560 1.098 18323 2444 1 7 . 1 1 28 28 LEU HA H 105 4.178 4.178 4.132 0.046 18323 2445 1 7 . 1 1 28 28 LEU C C 105 178.402 178.402 178.923 -0.521 18323 2446 1 7 . 1 1 28 28 LEU CA C 105 58.176 58.176 57.800 0.376 18323 2447 1 7 . 1 1 28 28 LEU CB C 105 41.768 41.768 41.392 0.376 18323 2448 1 7 . 1 1 28 28 LEU H H 105 8.500 8.500 7.599 0.901 18323 2449 1 7 . 1 1 29 29 ARG N N 106 117.807 117.807 118.352 -0.545 18323 2450 1 7 . 1 1 29 29 ARG HA H 106 4.042 4.042 3.935 0.107 18323 2451 1 7 . 1 1 29 29 ARG C C 106 177.506 177.506 178.613 -1.107 18323 2452 1 7 . 1 1 29 29 ARG CA C 106 59.934 59.934 59.347 0.587 18323 2453 1 7 . 1 1 29 29 ARG CB C 106 30.634 30.634 29.296 1.338 18323 2454 1 7 . 1 1 29 29 ARG H H 106 8.727 8.727 7.820 0.907 18323 2455 1 7 . 1 1 30 30 HIS N N 107 119.849 119.849 119.952 -0.103 18323 2456 1 7 . 1 1 30 30 HIS C C 107 177.862 177.862 177.729 0.133 18323 2457 1 7 . 1 1 30 30 HIS CA C 107 59.934 59.934 58.620 1.314 18323 2458 1 7 . 1 1 30 30 HIS CB C 107 30.634 30.634 29.784 0.850 18323 2459 1 7 . 1 1 30 30 HIS H H 107 8.030 8.030 7.872 0.158 18323 2460 1 7 . 1 1 31 31 VAL N N 108 119.784 119.784 120.269 -0.485 18323 2461 1 7 . 1 1 31 31 VAL C C 108 178.437 178.437 178.248 0.189 18323 2462 1 7 . 1 1 31 31 VAL CA C 108 66.966 66.966 66.264 0.702 18323 2463 1 7 . 1 1 31 31 VAL CB C 108 31.806 31.806 31.967 -0.161 18323 2464 1 7 . 1 1 31 31 VAL H H 108 8.322 8.322 8.165 0.157 18323 2465 1 7 . 1 1 32 32 MET N N 109 115.699 115.699 118.527 -2.828 18323 2466 1 7 . 1 1 32 32 MET HA H 109 4.343 4.343 4.205 0.138 18323 2467 1 7 . 1 1 32 32 MET C C 109 179.296 179.296 178.940 0.356 18323 2468 1 7 . 1 1 32 32 MET CA C 109 57.004 57.004 59.145 -2.141 18323 2469 1 7 . 1 1 32 32 MET CB C 109 29.462 29.462 31.564 -2.103 18323 2470 1 7 . 1 1 32 32 MET H H 109 8.397 8.397 8.965 -0.568 18323 2471 1 7 . 1 1 33 33 THR N N 110 116.362 116.362 115.648 0.714 18323 2472 1 7 . 1 1 33 33 THR C C 110 178.290 178.290 176.686 1.604 18323 2473 1 7 . 1 1 33 33 THR CA C 110 66.380 66.380 66.821 -0.441 18323 2474 1 7 . 1 1 33 33 THR CB C 110 68.724 68.724 68.370 0.354 18323 2475 1 7 . 1 1 33 33 THR H H 110 8.296 8.296 8.219 0.077 18323 2476 1 7 . 1 1 34 34 ASN N N 111 122.809 122.809 119.620 3.189 18323 2477 1 7 . 1 1 34 34 ASN HA H 111 4.619 4.619 4.568 0.051 18323 2478 1 7 . 1 1 34 34 ASN C C 111 176.698 176.698 177.498 -0.800 18323 2479 1 7 . 1 1 34 34 ASN CA C 111 55.832 55.832 55.639 0.193 18323 2480 1 7 . 1 1 34 34 ASN CB C 111 38.252 38.252 38.737 -0.485 18323 2481 1 7 . 1 1 34 34 ASN H H 111 7.936 7.936 8.434 -0.498 18323 2482 1 7 . 1 1 35 35 LEU N N 112 118.523 118.523 118.322 0.201 18323 2483 1 7 . 1 1 35 35 LEU HA H 112 4.322 4.322 4.104 0.218 18323 2484 1 7 . 1 1 35 35 LEU C C 112 177.205 177.205 177.942 -0.737 18323 2485 1 7 . 1 1 35 35 LEU CA C 112 55.246 55.246 56.422 -1.176 18323 2486 1 7 . 1 1 35 35 LEU CB C 112 42.354 42.354 42.557 -0.203 18323 2487 1 7 . 1 1 35 35 LEU H H 112 7.815 7.815 8.168 -0.353 18323 2488 1 7 . 1 1 36 36 GLY N N 113 107.203 107.203 104.777 2.426 18323 2489 1 7 . 1 1 36 36 GLY C C 113 174.354 174.354 174.802 -0.448 18323 2490 1 7 . 1 1 36 36 GLY CA C 113 45.284 45.284 44.484 0.800 18323 2491 1 7 . 1 1 36 36 GLY H H 113 7.853 7.853 7.688 0.165 18323 2492 1 7 . 1 1 37 37 GLU N N 114 120.199 120.199 121.479 -1.280 18323 2493 1 7 . 1 1 37 37 GLU HA H 114 4.435 4.435 4.348 0.087 18323 2494 1 7 . 1 1 37 37 GLU C C 114 175.359 175.359 176.008 -0.649 18323 2495 1 7 . 1 1 37 37 GLU CA C 114 54.660 54.660 56.268 -1.608 18323 2496 1 7 . 1 1 37 37 GLU CB C 114 30.634 30.634 30.896 -0.262 18323 2497 1 7 . 1 1 37 37 GLU H H 114 7.909 7.909 7.638 0.271 18323 2498 1 7 . 1 1 38 38 LYS N N 115 124.425 124.425 122.048 2.377 18323 2499 1 7 . 1 1 38 38 LYS HA H 115 4.372 4.372 4.336 0.036 18323 2500 1 7 . 1 1 38 38 LYS C C 115 175.464 175.464 175.286 0.178 18323 2501 1 7 . 1 1 38 38 LYS CA C 115 55.246 55.246 56.695 -1.449 18323 2502 1 7 . 1 1 38 38 LYS CB C 115 31.806 31.806 32.555 -0.749 18323 2503 1 7 . 1 1 38 38 LYS H H 115 8.642 8.642 8.495 0.147 18323 2504 1 7 . 1 1 39 39 LEU N N 116 125.258 125.258 126.124 -0.866 18323 2505 1 7 . 1 1 39 39 LEU HA H 116 4.742 4.742 4.696 0.046 18323 2506 1 7 . 1 1 39 39 LEU C C 116 178.351 178.351 175.952 2.399 18323 2507 1 7 . 1 1 39 39 LEU CA C 116 54.074 54.074 53.681 0.393 18323 2508 1 7 . 1 1 39 39 LEU CB C 116 44.112 44.112 46.232 -2.120 18323 2509 1 7 . 1 1 39 39 LEU H H 116 8.102 8.102 8.568 -0.466 18323 2510 1 7 . 1 1 40 40 THR N N 117 114.811 114.811 118.186 -3.375 18323 2511 1 7 . 1 1 40 40 THR HA H 117 4.744 4.744 4.616 0.128 18323 2512 1 7 . 1 1 40 40 THR C C 117 175.522 175.522 174.685 0.837 18323 2513 1 7 . 1 1 40 40 THR CA C 117 60.520 60.520 61.233 -0.713 18323 2514 1 7 . 1 1 40 40 THR CB C 117 71.068 71.068 71.290 -0.222 18323 2515 1 7 . 1 1 40 40 THR H H 117 9.297 9.297 8.505 0.792 18323 2516 1 7 . 1 1 41 41 ASP N N 118 121.232 121.232 125.056 -3.824 18323 2517 1 7 . 1 1 41 41 ASP C C 118 178.644 178.644 177.942 0.702 18323 2518 1 7 . 1 1 41 41 ASP CA C 118 57.590 57.590 58.072 -0.482 18323 2519 1 7 . 1 1 41 41 ASP CB C 118 39.424 39.424 40.269 -0.845 18323 2520 1 7 . 1 1 41 41 ASP H H 118 8.967 8.967 9.010 -0.043 18323 2521 1 7 . 1 1 42 42 GLU N N 119 119.357 119.357 116.945 2.412 18323 2522 1 7 . 1 1 42 42 GLU HA H 119 4.051 4.051 4.103 -0.052 18323 2523 1 7 . 1 1 42 42 GLU C C 119 178.847 178.847 179.050 -0.203 18323 2524 1 7 . 1 1 42 42 GLU CA C 119 59.934 59.934 59.213 0.721 18323 2525 1 7 . 1 1 42 42 GLU CB C 119 28.876 28.876 28.928 -0.052 18323 2526 1 7 . 1 1 42 42 GLU H H 119 8.679 8.679 8.905 -0.226 18323 2527 1 7 . 1 1 43 43 GLU N N 120 118.761 118.761 121.280 -2.519 18323 2528 1 7 . 1 1 43 43 GLU HA H 120 4.003 4.003 4.118 -0.115 18323 2529 1 7 . 1 1 43 43 GLU C C 120 179.996 179.996 178.903 1.093 18323 2530 1 7 . 1 1 43 43 GLU CA C 120 59.348 59.348 59.034 0.314 18323 2531 1 7 . 1 1 43 43 GLU CB C 120 30.048 30.048 29.689 0.359 18323 2532 1 7 . 1 1 43 43 GLU H H 120 7.998 7.998 7.424 0.574 18323 2533 1 7 . 1 1 44 44 VAL N N 121 121.165 121.165 121.065 0.100 18323 2534 1 7 . 1 1 44 44 VAL HA H 121 3.439 3.439 3.523 -0.084 18323 2535 1 7 . 1 1 44 44 VAL C C 121 177.489 177.489 177.634 -0.145 18323 2536 1 7 . 1 1 44 44 VAL CA C 121 66.966 66.966 67.369 -0.403 18323 2537 1 7 . 1 1 44 44 VAL CB C 121 31.220 31.220 31.905 -0.685 18323 2538 1 7 . 1 1 44 44 VAL H H 121 8.051 8.051 8.553 -0.502 18323 2539 1 7 . 1 1 45 45 ASP N N 122 119.507 119.507 118.161 1.346 18323 2540 1 7 . 1 1 45 45 ASP HA H 122 4.338 4.338 4.266 0.072 18323 2541 1 7 . 1 1 45 45 ASP C C 122 179.226 179.226 178.689 0.537 18323 2542 1 7 . 1 1 45 45 ASP CA C 122 57.590 57.590 57.497 0.093 18323 2543 1 7 . 1 1 45 45 ASP CB C 122 40.596 40.596 40.784 -0.188 18323 2544 1 7 . 1 1 45 45 ASP H H 122 8.092 8.092 7.980 0.112 18323 2545 1 7 . 1 1 46 46 GLU N N 123 119.871 119.871 119.155 0.716 18323 2546 1 7 . 1 1 46 46 GLU HA H 123 4.033 4.033 4.062 -0.029 18323 2547 1 7 . 1 1 46 46 GLU C C 123 178.612 178.612 178.692 -0.080 18323 2548 1 7 . 1 1 46 46 GLU CA C 123 59.348 59.348 58.643 0.705 18323 2549 1 7 . 1 1 46 46 GLU CB C 123 29.462 29.462 29.720 -0.258 18323 2550 1 7 . 1 1 46 46 GLU H H 123 8.131 8.131 7.507 0.624 18323 2551 1 7 . 1 1 47 47 MET N N 124 119.395 119.395 121.804 -2.409 18323 2552 1 7 . 1 1 47 47 MET CA C 124 60.520 60.520 59.867 0.653 18323 2553 1 7 . 1 1 47 47 MET CB C 124 32.978 32.978 32.715 0.263 18323 2554 1 7 . 1 1 47 47 MET H H 124 7.781 7.781 8.583 -0.802 18323 2555 1 7 . 1 1 48 48 ILE HA H 125 4.234 4.234 3.657 0.577 18323 2556 1 7 . 1 1 48 48 ILE C C 125 177.530 177.530 178.023 -0.493 18323 2557 1 7 . 1 1 48 48 ILE CA C 125 63.450 63.450 65.388 -1.938 18323 2558 1 7 . 1 1 48 48 ILE CB C 125 35.908 35.908 37.587 -1.679 18323 2559 1 7 . 1 1 49 49 ARG N N 126 118.403 118.403 119.532 -1.129 18323 2560 1 7 . 1 1 49 49 ARG HA H 126 4.105 4.105 4.003 0.102 18323 2561 1 7 . 1 1 49 49 ARG C C 126 178.928 178.928 178.188 0.740 18323 2562 1 7 . 1 1 49 49 ARG CA C 126 59.934 59.934 58.863 1.071 18323 2563 1 7 . 1 1 49 49 ARG CB C 126 30.414 30.414 29.654 0.760 18323 2564 1 7 . 1 1 49 49 ARG H H 126 8.555 8.555 7.557 0.998 18323 2565 1 7 . 1 1 50 50 GLU N N 127 116.347 116.347 116.929 -0.582 18323 2566 1 7 . 1 1 50 50 GLU HA H 127 4.039 4.039 4.279 -0.240 18323 2567 1 7 . 1 1 50 50 GLU C C 127 176.941 176.941 177.869 -0.928 18323 2568 1 7 . 1 1 50 50 GLU CA C 127 58.762 58.762 57.711 1.052 18323 2569 1 7 . 1 1 50 50 GLU CB C 127 30.048 30.048 30.137 -0.089 18323 2570 1 7 . 1 1 50 50 GLU H H 127 7.990 7.990 8.096 -0.106 18323 2571 1 7 . 1 1 51 51 ALA N N 128 117.251 117.251 121.448 -4.197 18323 2572 1 7 . 1 1 51 51 ALA HA H 128 4.456 4.456 4.092 0.364 18323 2573 1 7 . 1 1 51 51 ALA C C 128 177.757 177.757 177.821 -0.064 18323 2574 1 7 . 1 1 51 51 ALA CA C 128 51.730 51.730 53.864 -2.134 18323 2575 1 7 . 1 1 51 51 ALA CB C 128 21.844 21.844 19.205 2.639 18323 2576 1 7 . 1 1 51 51 ALA H H 128 7.126 7.126 8.088 -0.962 18323 2577 1 7 . 1 1 52 52 ASP N N 129 117.909 117.909 117.550 0.359 18323 2578 1 7 . 1 1 52 52 ASP HA H 129 4.502 4.502 4.625 -0.123 18323 2579 1 7 . 1 1 52 52 ASP C C 129 175.854 175.854 176.287 -0.433 18323 2580 1 7 . 1 1 52 52 ASP CA C 129 54.074 54.074 55.450 -1.376 18323 2581 1 7 . 1 1 52 52 ASP CB C 129 40.596 40.596 41.494 -0.898 18323 2582 1 7 . 1 1 52 52 ASP H H 129 7.962 7.962 8.157 -0.195 18323 2583 1 7 . 1 1 53 53 ILE N N 130 127.900 127.900 122.813 5.087 18323 2584 1 7 . 1 1 53 53 ILE C C 130 177.995 177.995 176.407 1.588 18323 2585 1 7 . 1 1 53 53 ILE CA C 130 63.450 63.450 61.797 1.653 18323 2586 1 7 . 1 1 53 53 ILE CB C 130 38.838 38.838 38.760 0.078 18323 2587 1 7 . 1 1 53 53 ILE H H 130 8.261 8.261 8.207 0.054 18323 2588 1 7 . 1 1 54 54 ASP N N 131 116.678 116.678 118.087 -1.409 18323 2589 1 7 . 1 1 54 54 ASP HA H 131 4.541 4.541 4.850 -0.309 18323 2590 1 7 . 1 1 54 54 ASP C C 131 178.283 178.283 176.432 1.851 18323 2591 1 7 . 1 1 54 54 ASP CA C 131 54.074 54.074 54.307 -0.233 18323 2592 1 7 . 1 1 54 54 ASP CB C 131 40.010 40.010 41.781 -1.771 18323 2593 1 7 . 1 1 54 54 ASP H H 131 8.372 8.372 9.199 -0.827 18323 2594 1 7 . 1 1 55 55 GLY N N 132 108.866 108.866 109.923 -1.057 18323 2595 1 7 . 1 1 55 55 GLY C C 132 175.365 175.365 175.120 0.245 18323 2596 1 7 . 1 1 55 55 GLY CA C 132 47.628 47.628 46.265 1.363 18323 2597 1 7 . 1 1 55 55 GLY H H 132 7.679 7.679 8.496 -0.817 18323 2598 1 7 . 1 1 56 56 ASP N N 133 120.968 120.968 119.966 1.002 18323 2599 1 7 . 1 1 56 56 ASP HA H 133 4.493 4.493 4.628 -0.135 18323 2600 1 7 . 1 1 56 56 ASP C C 133 177.582 177.582 177.766 -0.184 18323 2601 1 7 . 1 1 56 56 ASP CA C 133 53.488 53.488 52.269 1.219 18323 2602 1 7 . 1 1 56 56 ASP CB C 133 40.010 40.010 40.426 -0.416 18323 2603 1 7 . 1 1 56 56 ASP H H 133 8.415 8.415 8.142 0.273 18323 2604 1 7 . 1 1 57 57 GLY N N 134 112.821 112.821 107.637 5.184 18323 2605 1 7 . 1 1 57 57 GLY C C 134 172.847 172.847 173.826 -0.979 18323 2606 1 7 . 1 1 57 57 GLY CA C 134 45.870 45.870 45.951 -0.081 18323 2607 1 7 . 1 1 57 57 GLY H H 134 10.300 10.300 8.771 1.529 18323 2608 1 7 . 1 1 58 58 GLN N N 135 115.391 115.391 117.558 -2.167 18323 2609 1 7 . 1 1 58 58 GLN HA H 135 5.003 5.003 4.910 0.092 18323 2610 1 7 . 1 1 58 58 GLN C C 135 175.019 175.019 174.347 0.672 18323 2611 1 7 . 1 1 58 58 GLN CA C 135 52.902 52.902 53.545 -0.643 18323 2612 1 7 . 1 1 58 58 GLN CB C 135 32.978 32.978 32.477 0.501 18323 2613 1 7 . 1 1 58 58 GLN H H 135 8.022 8.022 7.939 0.083 18323 2614 1 7 . 1 1 59 59 VAL N N 136 125.596 125.596 118.251 7.345 18323 2615 1 7 . 1 1 59 59 VAL HA H 136 5.134 5.134 4.468 0.666 18323 2616 1 7 . 1 1 59 59 VAL C C 136 175.912 175.912 175.389 0.523 18323 2617 1 7 . 1 1 59 59 VAL CA C 136 61.613 61.613 60.674 0.939 18323 2618 1 7 . 1 1 59 59 VAL CB C 136 33.694 33.694 35.828 -2.134 18323 2619 1 7 . 1 1 59 59 VAL H H 136 9.176 9.176 8.423 0.753 18323 2620 1 7 . 1 1 60 60 ASN N N 137 129.229 129.229 122.966 6.263 18323 2621 1 7 . 1 1 60 60 ASN HA H 137 5.371 5.371 4.972 0.399 18323 2622 1 7 . 1 1 60 60 ASN C C 137 174.805 174.805 177.040 -2.235 18323 2623 1 7 . 1 1 60 60 ASN CA C 137 51.144 51.144 53.100 -1.956 18323 2624 1 7 . 1 1 60 60 ASN CB C 137 38.252 38.252 39.379 -1.127 18323 2625 1 7 . 1 1 60 60 ASN H H 137 9.576 9.576 8.432 1.144 18323 2626 1 7 . 1 1 61 61 TYR N N 138 118.597 118.597 120.262 -1.665 18323 2627 1 7 . 1 1 61 61 TYR C C 138 176.119 176.119 177.734 -1.615 18323 2628 1 7 . 1 1 61 61 TYR CA C 138 62.278 62.278 61.219 1.059 18323 2629 1 7 . 1 1 61 61 TYR CB C 138 37.666 37.666 37.867 -0.201 18323 2630 1 7 . 1 1 61 61 TYR H H 138 8.268 8.268 8.828 -0.560 18323 2631 1 7 . 1 1 62 62 GLU N N 139 118.441 118.441 119.818 -1.377 18323 2632 1 7 . 1 1 62 62 GLU HA H 139 4.123 4.123 4.025 0.098 18323 2633 1 7 . 1 1 62 62 GLU C C 139 179.189 179.189 178.944 0.245 18323 2634 1 7 . 1 1 62 62 GLU CA C 139 59.934 59.934 60.287 -0.353 18323 2635 1 7 . 1 1 62 62 GLU CB C 139 28.876 28.876 28.879 -0.003 18323 2636 1 7 . 1 1 62 62 GLU H H 139 8.087 8.087 9.107 -1.020 18323 2637 1 7 . 1 1 63 63 GLU N N 140 120.992 120.992 118.382 2.610 18323 2638 1 7 . 1 1 63 63 GLU HA H 140 3.914 3.914 4.078 -0.164 18323 2639 1 7 . 1 1 63 63 GLU C C 140 179.328 179.328 178.812 0.516 18323 2640 1 7 . 1 1 63 63 GLU CA C 140 58.762 58.762 59.379 -0.617 18323 2641 1 7 . 1 1 63 63 GLU CB C 140 29.462 29.462 29.345 0.117 18323 2642 1 7 . 1 1 63 63 GLU H H 140 7.761 7.761 8.885 -1.124 18323 2643 1 7 . 1 1 64 64 PHE N N 141 123.798 123.798 119.423 4.375 18323 2644 1 7 . 1 1 64 64 PHE C C 141 176.843 176.843 176.919 -0.076 18323 2645 1 7 . 1 1 64 64 PHE CA C 141 61.692 61.692 61.227 0.465 18323 2646 1 7 . 1 1 64 64 PHE CB C 141 39.917 39.917 39.824 0.093 18323 2647 1 7 . 1 1 64 64 PHE H H 141 8.529 8.529 7.600 0.929 18323 2648 1 7 . 1 1 65 65 VAL N N 142 119.218 119.218 120.281 -1.063 18323 2649 1 7 . 1 1 65 65 VAL C C 142 179.497 179.497 177.963 1.534 18323 2650 1 7 . 1 1 65 65 VAL CA C 142 66.966 66.966 67.457 -0.491 18323 2651 1 7 . 1 1 65 65 VAL CB C 142 31.220 31.220 31.149 0.071 18323 2652 1 7 . 1 1 65 65 VAL H H 142 8.672 8.672 8.900 -0.228 18323 2653 1 7 . 1 1 66 66 GLN N N 143 118.362 118.362 117.745 0.617 18323 2654 1 7 . 1 1 66 66 GLN HA H 143 3.845 3.845 3.871 -0.026 18323 2655 1 7 . 1 1 66 66 GLN C C 143 177.881 177.881 178.445 -0.564 18323 2656 1 7 . 1 1 66 66 GLN CA C 143 58.762 58.762 58.969 -0.207 18323 2657 1 7 . 1 1 66 66 GLN CB C 143 27.704 27.704 28.544 -0.840 18323 2658 1 7 . 1 1 66 66 GLN H H 143 7.550 7.550 8.077 -0.527 18323 2659 1 7 . 1 1 67 67 MET N N 144 116.720 116.720 118.695 -1.975 18323 2660 1 7 . 1 1 67 67 MET C C 144 177.803 177.803 178.140 -0.337 18323 2661 1 7 . 1 1 67 67 MET CA C 144 56.418 56.418 58.303 -1.885 18323 2662 1 7 . 1 1 67 67 MET CB C 144 31.806 31.806 32.446 -0.640 18323 2663 1 7 . 1 1 67 67 MET H H 144 7.300 7.300 7.526 -0.226 18323 2664 1 7 . 1 1 68 68 MET N N 145 116.116 116.116 116.751 -0.635 18323 2665 1 7 . 1 1 68 68 MET HA H 145 4.115 4.115 3.686 0.429 18323 2666 1 7 . 1 1 68 68 MET C C 145 177.203 177.203 177.287 -0.084 18323 2667 1 7 . 1 1 68 68 MET CA C 145 56.418 56.418 58.813 -2.395 18323 2668 1 7 . 1 1 68 68 MET CB C 145 31.806 31.806 32.519 -0.713 18323 2669 1 7 . 1 1 68 68 MET H H 145 7.732 7.732 8.290 -0.558 18323 2670 1 7 . 1 1 69 69 THR N N 146 108.868 108.868 108.490 0.378 18323 2671 1 7 . 1 1 69 69 THR HA H 146 4.288 4.288 4.225 0.063 18323 2672 1 7 . 1 1 69 69 THR C C 146 174.154 174.154 175.229 -1.075 18323 2673 1 7 . 1 1 69 69 THR CA C 146 61.692 61.692 63.578 -1.886 18323 2674 1 7 . 1 1 69 69 THR CB C 146 69.896 69.896 69.676 0.220 18323 2675 1 7 . 1 1 69 69 THR H H 146 7.649 7.649 7.355 0.294 18323 2676 1 7 . 1 1 70 70 ALA N N 147 126.934 126.934 124.389 2.545 18323 2677 1 7 . 1 1 70 70 ALA HA H 147 4.287 4.287 4.345 -0.058 18323 2678 1 7 . 1 1 70 70 ALA C C 147 176.686 176.686 176.565 0.121 18323 2679 1 7 . 1 1 70 70 ALA CA C 147 52.902 52.902 51.179 1.723 18323 2680 1 7 . 1 1 70 70 ALA CB C 147 18.914 18.914 17.929 0.985 18323 2681 1 7 . 1 1 70 70 ALA H H 147 7.546 7.546 7.309 0.237 18323 2682 1 8 . 1 1 2 2 THR N N 79 114.287 114.287 113.811 0.476 18323 2683 1 8 . 1 1 2 2 THR HA H 79 4.281 4.281 4.587 -0.306 18323 2684 1 8 . 1 1 2 2 THR C C 79 174.598 174.598 174.751 -0.153 18323 2685 1 8 . 1 1 2 2 THR CA C 79 62.278 62.278 61.763 0.515 18323 2686 1 8 . 1 1 2 2 THR CB C 79 69.310 69.310 69.689 -0.379 18323 2687 1 8 . 1 1 2 2 THR H H 79 8.299 8.299 8.208 0.091 18323 2688 1 8 . 1 1 3 3 ASP N N 80 122.311 122.311 122.835 -0.524 18323 2689 1 8 . 1 1 3 3 ASP C C 80 176.788 176.788 176.312 0.476 18323 2690 1 8 . 1 1 3 3 ASP CA C 80 54.660 54.660 52.953 1.707 18323 2691 1 8 . 1 1 3 3 ASP CB C 80 41.182 41.182 40.590 0.592 18323 2692 1 8 . 1 1 3 3 ASP H H 80 8.447 8.447 8.722 -0.275 18323 2693 1 8 . 1 1 4 4 SER N N 81 116.934 116.934 115.198 1.736 18323 2694 1 8 . 1 1 4 4 SER HA H 81 4.022 4.022 4.256 -0.234 18323 2695 1 8 . 1 1 4 4 SER C C 81 175.337 175.337 175.923 -0.586 18323 2696 1 8 . 1 1 4 4 SER CA C 81 58.762 58.762 57.921 0.841 18323 2697 1 8 . 1 1 4 4 SER CB C 81 64.036 64.036 64.256 -0.220 18323 2698 1 8 . 1 1 4 4 SER H H 81 8.351 8.351 7.653 0.698 18323 2699 1 8 . 1 1 5 5 GLU N N 82 123.423 123.423 127.924 -4.501 18323 2700 1 8 . 1 1 5 5 GLU HA H 82 4.112 4.112 3.961 0.151 18323 2701 1 8 . 1 1 5 5 GLU C C 82 178.067 178.067 178.079 -0.012 18323 2702 1 8 . 1 1 5 5 GLU CA C 82 59.348 59.348 59.394 -0.046 18323 2703 1 8 . 1 1 5 5 GLU CB C 82 46.749 46.749 29.674 17.076 18323 2704 1 8 . 1 1 5 5 GLU H H 82 8.588 8.588 9.084 -0.496 18323 2705 1 8 . 1 1 6 6 GLU N N 83 118.987 118.987 118.888 0.099 18323 2706 1 8 . 1 1 6 6 GLU CA C 83 59.348 59.348 59.185 0.163 18323 2707 1 8 . 1 1 6 6 GLU CB C 83 29.462 29.462 29.387 0.074 18323 2708 1 8 . 1 1 6 6 GLU H H 83 8.412 8.412 7.610 0.802 18323 2709 1 8 . 1 1 7 7 GLU HA H 84 4.116 4.116 4.064 0.052 18323 2710 1 8 . 1 1 7 7 GLU C C 84 178.969 178.969 179.494 -0.525 18323 2711 1 8 . 1 1 7 7 GLU CA C 84 59.348 59.348 59.332 0.016 18323 2712 1 8 . 1 1 7 7 GLU CB C 84 29.462 29.462 29.438 0.024 18323 2713 1 8 . 1 1 8 8 ILE N N 85 121.839 121.839 119.624 2.215 18323 2714 1 8 . 1 1 8 8 ILE HA H 85 3.917 3.917 3.714 0.203 18323 2715 1 8 . 1 1 8 8 ILE C C 85 178.283 178.283 178.521 -0.238 18323 2716 1 8 . 1 1 8 8 ILE CA C 85 65.208 65.208 65.291 -0.083 18323 2717 1 8 . 1 1 8 8 ILE CB C 85 37.080 37.080 37.822 -0.742 18323 2718 1 8 . 1 1 8 8 ILE H H 85 8.001 8.001 7.509 0.492 18323 2719 1 8 . 1 1 9 9 ARG N N 86 121.328 121.328 119.466 1.862 18323 2720 1 8 . 1 1 9 9 ARG HA H 86 4.260 4.260 4.157 0.103 18323 2721 1 8 . 1 1 9 9 ARG C C 86 179.291 179.291 178.812 0.479 18323 2722 1 8 . 1 1 9 9 ARG CA C 86 59.934 59.934 59.184 0.750 18323 2723 1 8 . 1 1 9 9 ARG CB C 86 29.462 29.462 29.456 0.007 18323 2724 1 8 . 1 1 9 9 ARG H H 86 8.544 8.544 8.143 0.401 18323 2725 1 8 . 1 1 10 10 GLU N N 87 118.332 118.332 118.000 0.332 18323 2726 1 8 . 1 1 10 10 GLU HA H 87 4.116 4.116 4.240 -0.124 18323 2727 1 8 . 1 1 10 10 GLU C C 87 179.498 179.498 178.584 0.914 18323 2728 1 8 . 1 1 10 10 GLU CA C 87 59.348 59.348 58.508 0.840 18323 2729 1 8 . 1 1 10 10 GLU CB C 87 29.462 29.462 29.396 0.066 18323 2730 1 8 . 1 1 10 10 GLU H H 87 8.225 8.225 8.059 0.166 18323 2731 1 8 . 1 1 11 11 ALA N N 88 121.839 121.839 122.979 -1.140 18323 2732 1 8 . 1 1 11 11 ALA HA H 88 4.243 4.243 4.431 -0.188 18323 2733 1 8 . 1 1 11 11 ALA C C 88 176.715 176.715 179.205 -2.490 18323 2734 1 8 . 1 1 11 11 ALA CA C 88 55.246 55.246 54.868 0.378 18323 2735 1 8 . 1 1 11 11 ALA CB C 88 18.136 18.136 18.484 -0.348 18323 2736 1 8 . 1 1 11 11 ALA H H 88 8.001 8.001 8.349 -0.348 18323 2737 1 8 . 1 1 12 12 PHE N N 89 118.794 118.794 119.135 -0.341 18323 2738 1 8 . 1 1 12 12 PHE HA H 89 4.934 4.934 3.955 0.979 18323 2739 1 8 . 1 1 12 12 PHE C C 89 177.370 177.370 178.373 -1.003 18323 2740 1 8 . 1 1 12 12 PHE CA C 89 62.278 62.278 63.053 -0.775 18323 2741 1 8 . 1 1 12 12 PHE CB C 89 39.424 39.424 38.563 0.861 18323 2742 1 8 . 1 1 12 12 PHE H H 89 8.630 8.630 7.831 0.799 18323 2743 1 8 . 1 1 13 13 ARG N N 90 115.837 115.837 118.490 -2.653 18323 2744 1 8 . 1 1 13 13 ARG HA H 90 3.862 3.862 4.042 -0.180 18323 2745 1 8 . 1 1 13 13 ARG C C 90 177.590 177.590 177.922 -0.332 18323 2746 1 8 . 1 1 13 13 ARG CA C 90 58.762 58.762 59.978 -1.216 18323 2747 1 8 . 1 1 13 13 ARG CB C 90 30.048 30.048 30.044 0.004 18323 2748 1 8 . 1 1 13 13 ARG H H 90 7.891 7.891 7.604 0.287 18323 2749 1 8 . 1 1 14 14 VAL N N 91 118.382 118.382 118.489 -0.107 18323 2750 1 8 . 1 1 14 14 VAL C C 91 176.343 176.343 177.900 -1.557 18323 2751 1 8 . 1 1 14 14 VAL CA C 91 65.794 65.794 65.707 0.087 18323 2752 1 8 . 1 1 14 14 VAL CB C 91 31.220 31.220 31.686 -0.466 18323 2753 1 8 . 1 1 14 14 VAL H H 91 7.407 7.407 7.356 0.051 18323 2754 1 8 . 1 1 15 15 PHE N N 92 114.257 114.257 117.255 -2.998 18323 2755 1 8 . 1 1 15 15 PHE HA H 92 4.661 4.661 4.193 0.468 18323 2756 1 8 . 1 1 15 15 PHE C C 92 176.378 176.378 177.644 -1.266 18323 2757 1 8 . 1 1 15 15 PHE CA C 92 59.934 59.934 60.920 -0.986 18323 2758 1 8 . 1 1 15 15 PHE CB C 92 41.182 41.182 38.978 2.204 18323 2759 1 8 . 1 1 15 15 PHE H H 92 6.892 6.892 8.646 -1.754 18323 2760 1 8 . 1 1 16 16 ASP N N 93 116.288 116.288 119.495 -3.207 18323 2761 1 8 . 1 1 16 16 ASP HA H 93 4.617 4.617 4.819 -0.202 18323 2762 1 8 . 1 1 16 16 ASP C C 93 177.695 177.695 177.508 0.187 18323 2763 1 8 . 1 1 16 16 ASP CA C 93 51.730 51.730 53.478 -1.748 18323 2764 1 8 . 1 1 16 16 ASP CB C 93 38.838 38.838 38.878 -0.040 18323 2765 1 8 . 1 1 16 16 ASP H H 93 7.847 7.847 8.740 -0.893 18323 2766 1 8 . 1 1 17 17 LYS N N 94 125.440 125.440 120.479 4.961 18323 2767 1 8 . 1 1 17 17 LYS HA H 94 3.889 3.889 3.953 -0.064 18323 2768 1 8 . 1 1 17 17 LYS C C 94 178.290 178.290 177.239 1.051 18323 2769 1 8 . 1 1 17 17 LYS CA C 94 58.762 58.762 59.247 -0.485 18323 2770 1 8 . 1 1 17 17 LYS CB C 94 32.392 32.392 32.490 -0.099 18323 2771 1 8 . 1 1 17 17 LYS H H 94 7.662 7.662 8.421 -0.759 18323 2772 1 8 . 1 1 18 18 ASP N N 95 114.292 114.292 116.408 -2.116 18323 2773 1 8 . 1 1 18 18 ASP HA H 95 4.567 4.567 4.605 -0.038 18323 2774 1 8 . 1 1 18 18 ASP C C 95 177.826 177.826 176.639 1.187 18323 2775 1 8 . 1 1 18 18 ASP CA C 95 52.902 52.902 53.922 -1.020 18323 2776 1 8 . 1 1 18 18 ASP CB C 95 39.424 39.424 39.516 -0.092 18323 2777 1 8 . 1 1 18 18 ASP H H 95 8.336 8.336 8.030 0.306 18323 2778 1 8 . 1 1 19 19 GLY N N 96 109.374 109.374 107.970 1.404 18323 2779 1 8 . 1 1 19 19 GLY C C 96 175.145 175.145 175.364 -0.219 18323 2780 1 8 . 1 1 19 19 GLY CA C 96 47.042 47.042 46.340 0.702 18323 2781 1 8 . 1 1 19 19 GLY H H 96 7.797 7.797 8.093 -0.296 18323 2782 1 8 . 1 1 20 20 ASN N N 97 119.964 119.964 118.565 1.399 18323 2783 1 8 . 1 1 20 20 ASN HA H 97 4.670 4.670 4.682 -0.012 18323 2784 1 8 . 1 1 20 20 ASN C C 97 176.120 176.120 176.531 -0.411 18323 2785 1 8 . 1 1 20 20 ASN CA C 97 52.316 52.316 52.472 -0.156 18323 2786 1 8 . 1 1 20 20 ASN CB C 97 38.252 38.252 38.977 -0.725 18323 2787 1 8 . 1 1 20 20 ASN H H 97 8.430 8.430 8.262 0.168 18323 2788 1 8 . 1 1 21 21 GLY N N 98 112.726 112.726 108.661 4.065 18323 2789 1 8 . 1 1 21 21 GLY C C 98 172.751 172.751 172.602 0.149 18323 2790 1 8 . 1 1 21 21 GLY CA C 98 44.698 44.698 45.513 -0.815 18323 2791 1 8 . 1 1 21 21 GLY H H 98 10.638 10.638 8.710 1.928 18323 2792 1 8 . 1 1 22 22 TYR N N 99 116.415 116.415 115.559 0.856 18323 2793 1 8 . 1 1 22 22 TYR C C 99 174.795 174.795 173.352 1.443 18323 2794 1 8 . 1 1 22 22 TYR CA C 99 56.418 56.418 56.970 -0.552 18323 2795 1 8 . 1 1 22 22 TYR CB C 99 42.940 42.940 41.926 1.014 18323 2796 1 8 . 1 1 22 22 TYR H H 99 7.708 7.708 8.101 -0.393 18323 2797 1 8 . 1 1 23 23 ILE N N 100 127.488 127.488 120.227 7.261 18323 2798 1 8 . 1 1 23 23 ILE C C 100 175.543 175.543 175.096 0.447 18323 2799 1 8 . 1 1 23 23 ILE CA C 100 61.106 61.106 58.620 2.486 18323 2800 1 8 . 1 1 23 23 ILE CB C 100 39.424 39.424 38.675 0.749 18323 2801 1 8 . 1 1 23 23 ILE H H 100 10.197 10.197 8.154 2.043 18323 2802 1 8 . 1 1 24 24 SER N N 101 123.860 123.860 121.905 1.955 18323 2803 1 8 . 1 1 24 24 SER HA H 101 4.973 4.973 4.890 0.083 18323 2804 1 8 . 1 1 24 24 SER C C 101 175.300 175.300 175.381 -0.081 18323 2805 1 8 . 1 1 24 24 SER CA C 101 55.832 55.832 56.930 -1.098 18323 2806 1 8 . 1 1 24 24 SER CB C 101 66.966 66.966 65.459 1.507 18323 2807 1 8 . 1 1 24 24 SER H H 101 8.998 8.998 9.012 -0.014 18323 2808 1 8 . 1 1 25 25 ALA N N 102 123.328 123.328 125.438 -2.110 18323 2809 1 8 . 1 1 25 25 ALA HA H 102 3.938 3.938 4.098 -0.161 18323 2810 1 8 . 1 1 25 25 ALA C C 102 179.324 179.324 179.314 0.010 18323 2811 1 8 . 1 1 25 25 ALA CA C 102 55.832 55.832 55.374 0.458 18323 2812 1 8 . 1 1 25 25 ALA CB C 102 17.742 17.742 18.481 -0.739 18323 2813 1 8 . 1 1 25 25 ALA H H 102 9.377 9.377 8.991 0.386 18323 2814 1 8 . 1 1 26 26 ALA N N 103 118.536 118.536 120.244 -1.708 18323 2815 1 8 . 1 1 26 26 ALA HA H 103 4.054 4.054 4.074 -0.020 18323 2816 1 8 . 1 1 26 26 ALA C C 103 181.535 181.535 179.942 1.593 18323 2817 1 8 . 1 1 26 26 ALA CA C 103 55.246 55.246 55.087 0.160 18323 2818 1 8 . 1 1 26 26 ALA CB C 103 18.328 18.328 18.280 0.048 18323 2819 1 8 . 1 1 26 26 ALA H H 103 8.317 8.317 8.642 -0.325 18323 2820 1 8 . 1 1 27 27 GLU N N 104 120.419 120.419 118.405 2.014 18323 2821 1 8 . 1 1 27 27 GLU HA H 104 4.033 4.033 4.080 -0.047 18323 2822 1 8 . 1 1 27 27 GLU C C 104 178.950 178.950 179.019 -0.069 18323 2823 1 8 . 1 1 27 27 GLU CA C 104 59.348 59.348 59.180 0.168 18323 2824 1 8 . 1 1 27 27 GLU CB C 104 28.876 28.876 29.435 -0.559 18323 2825 1 8 . 1 1 27 27 GLU H H 104 7.977 7.977 7.827 0.150 18323 2826 1 8 . 1 1 28 28 LEU N N 105 120.658 120.658 119.467 1.191 18323 2827 1 8 . 1 1 28 28 LEU HA H 105 4.178 4.178 4.210 -0.032 18323 2828 1 8 . 1 1 28 28 LEU C C 105 178.402 178.402 178.972 -0.570 18323 2829 1 8 . 1 1 28 28 LEU CA C 105 58.176 58.176 57.926 0.250 18323 2830 1 8 . 1 1 28 28 LEU CB C 105 41.768 41.768 41.426 0.342 18323 2831 1 8 . 1 1 28 28 LEU H H 105 8.500 8.500 7.486 1.014 18323 2832 1 8 . 1 1 29 29 ARG N N 106 117.807 117.807 117.658 0.149 18323 2833 1 8 . 1 1 29 29 ARG HA H 106 4.042 4.042 3.901 0.141 18323 2834 1 8 . 1 1 29 29 ARG C C 106 177.506 177.506 178.734 -1.228 18323 2835 1 8 . 1 1 29 29 ARG CA C 106 59.934 59.934 59.304 0.630 18323 2836 1 8 . 1 1 29 29 ARG CB C 106 30.634 30.634 29.267 1.367 18323 2837 1 8 . 1 1 29 29 ARG H H 106 8.727 8.727 7.618 1.109 18323 2838 1 8 . 1 1 30 30 HIS N N 107 119.849 119.849 119.507 0.342 18323 2839 1 8 . 1 1 30 30 HIS C C 107 177.862 177.862 177.872 -0.010 18323 2840 1 8 . 1 1 30 30 HIS CA C 107 59.934 59.934 59.812 0.122 18323 2841 1 8 . 1 1 30 30 HIS CB C 107 30.634 30.634 29.746 0.888 18323 2842 1 8 . 1 1 30 30 HIS H H 107 8.030 8.030 7.840 0.190 18323 2843 1 8 . 1 1 31 31 VAL N N 108 119.784 119.784 121.033 -1.249 18323 2844 1 8 . 1 1 31 31 VAL C C 108 178.437 178.437 178.177 0.260 18323 2845 1 8 . 1 1 31 31 VAL CA C 108 66.966 66.966 65.858 1.108 18323 2846 1 8 . 1 1 31 31 VAL CB C 108 31.806 31.806 31.141 0.665 18323 2847 1 8 . 1 1 31 31 VAL H H 108 8.322 8.322 8.264 0.058 18323 2848 1 8 . 1 1 32 32 MET N N 109 115.699 115.699 117.992 -2.293 18323 2849 1 8 . 1 1 32 32 MET HA H 109 4.343 4.343 4.033 0.310 18323 2850 1 8 . 1 1 32 32 MET C C 109 179.296 179.296 178.740 0.556 18323 2851 1 8 . 1 1 32 32 MET CA C 109 57.004 57.004 58.967 -1.963 18323 2852 1 8 . 1 1 32 32 MET CB C 109 29.462 29.462 31.452 -1.990 18323 2853 1 8 . 1 1 32 32 MET H H 109 8.397 8.397 8.564 -0.167 18323 2854 1 8 . 1 1 33 33 THR N N 110 116.362 116.362 116.010 0.352 18323 2855 1 8 . 1 1 33 33 THR C C 110 178.290 178.290 176.495 1.795 18323 2856 1 8 . 1 1 33 33 THR CA C 110 66.380 66.380 66.366 0.014 18323 2857 1 8 . 1 1 33 33 THR CB C 110 68.724 68.724 68.624 0.100 18323 2858 1 8 . 1 1 33 33 THR H H 110 8.296 8.296 8.251 0.045 18323 2859 1 8 . 1 1 34 34 ASN N N 111 122.809 122.809 119.334 3.475 18323 2860 1 8 . 1 1 34 34 ASN HA H 111 4.619 4.619 4.476 0.143 18323 2861 1 8 . 1 1 34 34 ASN C C 111 176.698 176.698 177.606 -0.908 18323 2862 1 8 . 1 1 34 34 ASN CA C 111 55.832 55.832 55.746 0.086 18323 2863 1 8 . 1 1 34 34 ASN CB C 111 38.252 38.252 38.661 -0.409 18323 2864 1 8 . 1 1 34 34 ASN H H 111 7.936 7.936 8.295 -0.359 18323 2865 1 8 . 1 1 35 35 LEU N N 112 118.523 118.523 117.656 0.867 18323 2866 1 8 . 1 1 35 35 LEU HA H 112 4.322 4.322 4.088 0.234 18323 2867 1 8 . 1 1 35 35 LEU C C 112 177.205 177.205 177.636 -0.431 18323 2868 1 8 . 1 1 35 35 LEU CA C 112 55.246 55.246 56.476 -1.230 18323 2869 1 8 . 1 1 35 35 LEU CB C 112 42.354 42.354 42.429 -0.075 18323 2870 1 8 . 1 1 35 35 LEU H H 112 7.815 7.815 8.222 -0.407 18323 2871 1 8 . 1 1 36 36 GLY N N 113 107.203 107.203 104.432 2.771 18323 2872 1 8 . 1 1 36 36 GLY C C 113 174.354 174.354 173.919 0.435 18323 2873 1 8 . 1 1 36 36 GLY CA C 113 45.284 45.284 44.373 0.911 18323 2874 1 8 . 1 1 36 36 GLY H H 113 7.853 7.853 7.452 0.401 18323 2875 1 8 . 1 1 37 37 GLU N N 114 120.199 120.199 121.693 -1.494 18323 2876 1 8 . 1 1 37 37 GLU HA H 114 4.435 4.435 4.462 -0.027 18323 2877 1 8 . 1 1 37 37 GLU C C 114 175.359 175.359 175.396 -0.037 18323 2878 1 8 . 1 1 37 37 GLU CA C 114 54.660 54.660 54.583 0.077 18323 2879 1 8 . 1 1 37 37 GLU CB C 114 30.634 30.634 30.954 -0.320 18323 2880 1 8 . 1 1 37 37 GLU H H 114 7.909 7.909 8.340 -0.431 18323 2881 1 8 . 1 1 38 38 LYS N N 115 124.425 124.425 128.060 -3.635 18323 2882 1 8 . 1 1 38 38 LYS HA H 115 4.372 4.372 4.074 0.298 18323 2883 1 8 . 1 1 38 38 LYS C C 115 175.464 175.464 176.144 -0.680 18323 2884 1 8 . 1 1 38 38 LYS CA C 115 55.246 55.246 56.529 -1.283 18323 2885 1 8 . 1 1 38 38 LYS CB C 115 31.806 31.806 31.480 0.326 18323 2886 1 8 . 1 1 38 38 LYS H H 115 8.642 8.642 8.690 -0.048 18323 2887 1 8 . 1 1 39 39 LEU N N 116 125.258 125.258 124.528 0.730 18323 2888 1 8 . 1 1 39 39 LEU HA H 116 4.742 4.742 4.316 0.426 18323 2889 1 8 . 1 1 39 39 LEU C C 116 178.351 178.351 177.288 1.063 18323 2890 1 8 . 1 1 39 39 LEU CA C 116 54.074 54.074 54.935 -0.861 18323 2891 1 8 . 1 1 39 39 LEU CB C 116 44.112 44.112 42.708 1.404 18323 2892 1 8 . 1 1 39 39 LEU H H 116 8.102 8.102 8.003 0.099 18323 2893 1 8 . 1 1 40 40 THR N N 117 114.811 114.811 110.452 4.359 18323 2894 1 8 . 1 1 40 40 THR HA H 117 4.744 4.744 4.549 0.195 18323 2895 1 8 . 1 1 40 40 THR C C 117 175.522 175.522 174.840 0.682 18323 2896 1 8 . 1 1 40 40 THR CA C 117 60.520 60.520 60.349 0.171 18323 2897 1 8 . 1 1 40 40 THR CB C 117 71.068 71.068 70.928 0.140 18323 2898 1 8 . 1 1 40 40 THR H H 117 9.297 9.297 8.081 1.216 18323 2899 1 8 . 1 1 41 41 ASP N N 118 121.232 121.232 125.402 -4.170 18323 2900 1 8 . 1 1 41 41 ASP C C 118 178.644 178.644 178.228 0.416 18323 2901 1 8 . 1 1 41 41 ASP CA C 118 57.590 57.590 57.581 0.009 18323 2902 1 8 . 1 1 41 41 ASP CB C 118 39.424 39.424 40.334 -0.910 18323 2903 1 8 . 1 1 41 41 ASP H H 118 8.967 8.967 9.017 -0.050 18323 2904 1 8 . 1 1 42 42 GLU N N 119 119.357 119.357 119.122 0.235 18323 2905 1 8 . 1 1 42 42 GLU HA H 119 4.051 4.051 3.999 0.052 18323 2906 1 8 . 1 1 42 42 GLU C C 119 178.847 178.847 178.690 0.157 18323 2907 1 8 . 1 1 42 42 GLU CA C 119 59.934 59.934 59.619 0.315 18323 2908 1 8 . 1 1 42 42 GLU CB C 119 28.876 28.876 29.121 -0.245 18323 2909 1 8 . 1 1 42 42 GLU H H 119 8.679 8.679 8.700 -0.021 18323 2910 1 8 . 1 1 43 43 GLU N N 120 118.761 118.761 118.879 -0.118 18323 2911 1 8 . 1 1 43 43 GLU HA H 120 4.003 4.003 4.163 -0.160 18323 2912 1 8 . 1 1 43 43 GLU C C 120 179.996 179.996 179.198 0.798 18323 2913 1 8 . 1 1 43 43 GLU CA C 120 59.348 59.348 59.024 0.324 18323 2914 1 8 . 1 1 43 43 GLU CB C 120 30.048 30.048 29.315 0.733 18323 2915 1 8 . 1 1 43 43 GLU H H 120 7.998 7.998 8.270 -0.272 18323 2916 1 8 . 1 1 44 44 VAL N N 121 121.165 121.165 121.534 -0.369 18323 2917 1 8 . 1 1 44 44 VAL HA H 121 3.439 3.439 3.626 -0.187 18323 2918 1 8 . 1 1 44 44 VAL C C 121 177.489 177.489 177.891 -0.402 18323 2919 1 8 . 1 1 44 44 VAL CA C 121 66.966 66.966 67.198 -0.231 18323 2920 1 8 . 1 1 44 44 VAL CB C 121 31.220 31.220 31.520 -0.300 18323 2921 1 8 . 1 1 44 44 VAL H H 121 8.051 8.051 8.581 -0.530 18323 2922 1 8 . 1 1 45 45 ASP N N 122 119.507 119.507 118.290 1.217 18323 2923 1 8 . 1 1 45 45 ASP HA H 122 4.338 4.338 4.247 0.091 18323 2924 1 8 . 1 1 45 45 ASP C C 122 179.226 179.226 178.837 0.389 18323 2925 1 8 . 1 1 45 45 ASP CA C 122 57.590 57.590 57.487 0.103 18323 2926 1 8 . 1 1 45 45 ASP CB C 122 40.596 40.596 40.761 -0.165 18323 2927 1 8 . 1 1 45 45 ASP H H 122 8.092 8.092 8.219 -0.127 18323 2928 1 8 . 1 1 46 46 GLU N N 123 119.871 119.871 119.116 0.755 18323 2929 1 8 . 1 1 46 46 GLU HA H 123 4.033 4.033 4.067 -0.034 18323 2930 1 8 . 1 1 46 46 GLU C C 123 178.612 178.612 178.526 0.086 18323 2931 1 8 . 1 1 46 46 GLU CA C 123 59.348 59.348 58.702 0.646 18323 2932 1 8 . 1 1 46 46 GLU CB C 123 29.462 29.462 29.623 -0.162 18323 2933 1 8 . 1 1 46 46 GLU H H 123 8.131 8.131 7.478 0.653 18323 2934 1 8 . 1 1 47 47 MET N N 124 119.395 119.395 120.885 -1.490 18323 2935 1 8 . 1 1 47 47 MET CA C 124 60.520 60.520 59.019 1.501 18323 2936 1 8 . 1 1 47 47 MET CB C 124 32.978 32.978 32.370 0.608 18323 2937 1 8 . 1 1 47 47 MET H H 124 7.781 7.781 8.465 -0.684 18323 2938 1 8 . 1 1 48 48 ILE HA H 125 4.234 4.234 3.627 0.607 18323 2939 1 8 . 1 1 48 48 ILE C C 125 177.530 177.530 177.831 -0.301 18323 2940 1 8 . 1 1 48 48 ILE CA C 125 63.450 63.450 65.352 -1.902 18323 2941 1 8 . 1 1 48 48 ILE CB C 125 35.908 35.908 37.494 -1.586 18323 2942 1 8 . 1 1 49 49 ARG N N 126 118.403 118.403 119.434 -1.031 18323 2943 1 8 . 1 1 49 49 ARG HA H 126 4.105 4.105 3.983 0.122 18323 2944 1 8 . 1 1 49 49 ARG C C 126 178.928 178.928 178.107 0.821 18323 2945 1 8 . 1 1 49 49 ARG CA C 126 59.934 59.934 58.907 1.026 18323 2946 1 8 . 1 1 49 49 ARG CB C 126 30.414 30.414 29.549 0.865 18323 2947 1 8 . 1 1 49 49 ARG H H 126 8.555 8.555 7.574 0.981 18323 2948 1 8 . 1 1 50 50 GLU N N 127 116.347 116.347 117.030 -0.683 18323 2949 1 8 . 1 1 50 50 GLU HA H 127 4.039 4.039 4.255 -0.216 18323 2950 1 8 . 1 1 50 50 GLU C C 127 176.941 176.941 177.938 -0.997 18323 2951 1 8 . 1 1 50 50 GLU CA C 127 58.762 58.762 57.947 0.815 18323 2952 1 8 . 1 1 50 50 GLU CB C 127 30.048 30.048 30.064 -0.016 18323 2953 1 8 . 1 1 50 50 GLU H H 127 7.990 7.990 7.955 0.035 18323 2954 1 8 . 1 1 51 51 ALA N N 128 117.251 117.251 121.043 -3.792 18323 2955 1 8 . 1 1 51 51 ALA HA H 128 4.456 4.456 4.105 0.351 18323 2956 1 8 . 1 1 51 51 ALA C C 128 177.757 177.757 177.832 -0.075 18323 2957 1 8 . 1 1 51 51 ALA CA C 128 51.730 51.730 53.838 -2.108 18323 2958 1 8 . 1 1 51 51 ALA CB C 128 21.844 21.844 19.283 2.561 18323 2959 1 8 . 1 1 51 51 ALA H H 128 7.126 7.126 7.885 -0.759 18323 2960 1 8 . 1 1 52 52 ASP N N 129 117.909 117.909 117.816 0.093 18323 2961 1 8 . 1 1 52 52 ASP HA H 129 4.502 4.502 4.454 0.048 18323 2962 1 8 . 1 1 52 52 ASP C C 129 175.854 175.854 176.125 -0.271 18323 2963 1 8 . 1 1 52 52 ASP CA C 129 54.074 54.074 55.544 -1.470 18323 2964 1 8 . 1 1 52 52 ASP CB C 129 40.596 40.596 41.569 -0.973 18323 2965 1 8 . 1 1 52 52 ASP H H 129 7.962 7.962 8.324 -0.362 18323 2966 1 8 . 1 1 53 53 ILE N N 130 127.900 127.900 123.148 4.752 18323 2967 1 8 . 1 1 53 53 ILE C C 130 177.995 177.995 176.729 1.266 18323 2968 1 8 . 1 1 53 53 ILE CA C 130 63.450 63.450 61.920 1.530 18323 2969 1 8 . 1 1 53 53 ILE CB C 130 38.838 38.838 38.742 0.096 18323 2970 1 8 . 1 1 53 53 ILE H H 130 8.261 8.261 8.199 0.062 18323 2971 1 8 . 1 1 54 54 ASP N N 131 116.678 116.678 119.183 -2.505 18323 2972 1 8 . 1 1 54 54 ASP HA H 131 4.541 4.541 4.782 -0.241 18323 2973 1 8 . 1 1 54 54 ASP C C 131 178.283 178.283 177.312 0.971 18323 2974 1 8 . 1 1 54 54 ASP CA C 131 54.074 54.074 53.321 0.753 18323 2975 1 8 . 1 1 54 54 ASP CB C 131 40.010 40.010 41.823 -1.813 18323 2976 1 8 . 1 1 54 54 ASP H H 131 8.372 8.372 8.797 -0.425 18323 2977 1 8 . 1 1 55 55 GLY N N 132 108.866 108.866 109.651 -0.785 18323 2978 1 8 . 1 1 55 55 GLY C C 132 175.365 175.365 174.843 0.522 18323 2979 1 8 . 1 1 55 55 GLY CA C 132 47.628 47.628 46.256 1.372 18323 2980 1 8 . 1 1 55 55 GLY H H 132 7.679 7.679 8.731 -1.052 18323 2981 1 8 . 1 1 56 56 ASP N N 133 120.968 120.968 118.878 2.090 18323 2982 1 8 . 1 1 56 56 ASP HA H 133 4.493 4.493 4.610 -0.117 18323 2983 1 8 . 1 1 56 56 ASP C C 133 177.582 177.582 177.645 -0.063 18323 2984 1 8 . 1 1 56 56 ASP CA C 133 53.488 53.488 52.463 1.025 18323 2985 1 8 . 1 1 56 56 ASP CB C 133 40.010 40.010 39.687 0.323 18323 2986 1 8 . 1 1 56 56 ASP H H 133 8.415 8.415 8.230 0.185 18323 2987 1 8 . 1 1 57 57 GLY N N 134 112.821 112.821 108.106 4.715 18323 2988 1 8 . 1 1 57 57 GLY C C 134 172.847 172.847 173.409 -0.562 18323 2989 1 8 . 1 1 57 57 GLY CA C 134 45.870 45.870 45.971 -0.101 18323 2990 1 8 . 1 1 57 57 GLY H H 134 10.300 10.300 8.400 1.900 18323 2991 1 8 . 1 1 58 58 GLN N N 135 115.391 115.391 117.322 -1.931 18323 2992 1 8 . 1 1 58 58 GLN HA H 135 5.003 5.003 5.179 -0.176 18323 2993 1 8 . 1 1 58 58 GLN C C 135 175.019 175.019 174.248 0.771 18323 2994 1 8 . 1 1 58 58 GLN CA C 135 52.902 52.902 54.200 -1.298 18323 2995 1 8 . 1 1 58 58 GLN CB C 135 32.978 32.978 33.072 -0.094 18323 2996 1 8 . 1 1 58 58 GLN H H 135 8.022 8.022 7.510 0.512 18323 2997 1 8 . 1 1 59 59 VAL N N 136 125.596 125.596 117.497 8.099 18323 2998 1 8 . 1 1 59 59 VAL HA H 136 5.134 5.134 4.912 0.222 18323 2999 1 8 . 1 1 59 59 VAL C C 136 175.912 175.912 174.743 1.169 18323 3000 1 8 . 1 1 59 59 VAL CA C 136 61.613 61.613 59.481 2.132 18323 3001 1 8 . 1 1 59 59 VAL CB C 136 33.694 33.694 34.865 -1.171 18323 3002 1 8 . 1 1 59 59 VAL H H 136 9.176 9.176 8.392 0.784 18323 3003 1 8 . 1 1 60 60 ASN N N 137 129.229 129.229 122.970 6.259 18323 3004 1 8 . 1 1 60 60 ASN HA H 137 5.371 5.371 4.711 0.660 18323 3005 1 8 . 1 1 60 60 ASN C C 137 174.805 174.805 176.823 -2.018 18323 3006 1 8 . 1 1 60 60 ASN CA C 137 51.144 51.144 53.307 -2.163 18323 3007 1 8 . 1 1 60 60 ASN CB C 137 38.252 38.252 39.215 -0.963 18323 3008 1 8 . 1 1 60 60 ASN H H 137 9.576 9.576 8.431 1.145 18323 3009 1 8 . 1 1 61 61 TYR N N 138 118.597 118.597 119.701 -1.104 18323 3010 1 8 . 1 1 61 61 TYR C C 138 176.119 176.119 177.982 -1.863 18323 3011 1 8 . 1 1 61 61 TYR CA C 138 62.278 62.278 62.325 -0.047 18323 3012 1 8 . 1 1 61 61 TYR CB C 138 37.666 37.666 38.261 -0.595 18323 3013 1 8 . 1 1 61 61 TYR H H 138 8.268 8.268 8.883 -0.615 18323 3014 1 8 . 1 1 62 62 GLU N N 139 118.441 118.441 120.049 -1.608 18323 3015 1 8 . 1 1 62 62 GLU HA H 139 4.123 4.123 4.171 -0.048 18323 3016 1 8 . 1 1 62 62 GLU C C 139 179.189 179.189 179.011 0.178 18323 3017 1 8 . 1 1 62 62 GLU CA C 139 59.934 59.934 60.163 -0.229 18323 3018 1 8 . 1 1 62 62 GLU CB C 139 28.876 28.876 29.065 -0.189 18323 3019 1 8 . 1 1 62 62 GLU H H 139 8.087 8.087 8.954 -0.867 18323 3020 1 8 . 1 1 63 63 GLU N N 140 120.992 120.992 118.036 2.956 18323 3021 1 8 . 1 1 63 63 GLU HA H 140 3.914 3.914 4.076 -0.162 18323 3022 1 8 . 1 1 63 63 GLU C C 140 179.328 179.328 178.795 0.533 18323 3023 1 8 . 1 1 63 63 GLU CA C 140 58.762 58.762 59.325 -0.563 18323 3024 1 8 . 1 1 63 63 GLU CB C 140 29.462 29.462 29.226 0.236 18323 3025 1 8 . 1 1 63 63 GLU H H 140 7.761 7.761 8.862 -1.101 18323 3026 1 8 . 1 1 64 64 PHE N N 141 123.798 123.798 119.408 4.390 18323 3027 1 8 . 1 1 64 64 PHE C C 141 176.843 176.843 176.861 -0.018 18323 3028 1 8 . 1 1 64 64 PHE CA C 141 61.692 61.692 60.764 0.929 18323 3029 1 8 . 1 1 64 64 PHE CB C 141 39.917 39.917 39.568 0.349 18323 3030 1 8 . 1 1 64 64 PHE H H 141 8.529 8.529 7.447 1.082 18323 3031 1 8 . 1 1 65 65 VAL N N 142 119.218 119.218 119.942 -0.724 18323 3032 1 8 . 1 1 65 65 VAL C C 142 179.497 179.497 177.796 1.701 18323 3033 1 8 . 1 1 65 65 VAL CA C 142 66.966 66.966 67.166 -0.200 18323 3034 1 8 . 1 1 65 65 VAL CB C 142 31.220 31.220 31.200 0.020 18323 3035 1 8 . 1 1 65 65 VAL H H 142 8.672 8.672 8.583 0.089 18323 3036 1 8 . 1 1 66 66 GLN N N 143 118.362 118.362 116.502 1.860 18323 3037 1 8 . 1 1 66 66 GLN HA H 143 3.845 3.845 3.899 -0.054 18323 3038 1 8 . 1 1 66 66 GLN C C 143 177.881 177.881 178.602 -0.721 18323 3039 1 8 . 1 1 66 66 GLN CA C 143 58.762 58.762 58.401 0.361 18323 3040 1 8 . 1 1 66 66 GLN CB C 143 27.704 27.704 28.506 -0.802 18323 3041 1 8 . 1 1 66 66 GLN H H 143 7.550 7.550 7.976 -0.426 18323 3042 1 8 . 1 1 67 67 MET N N 144 116.720 116.720 119.514 -2.794 18323 3043 1 8 . 1 1 67 67 MET C C 144 177.803 177.803 177.944 -0.141 18323 3044 1 8 . 1 1 67 67 MET CA C 144 56.418 56.418 57.566 -1.147 18323 3045 1 8 . 1 1 67 67 MET CB C 144 31.806 31.806 32.312 -0.506 18323 3046 1 8 . 1 1 67 67 MET H H 144 7.300 7.300 7.600 -0.300 18323 3047 1 8 . 1 1 68 68 MET N N 145 116.116 116.116 116.336 -0.220 18323 3048 1 8 . 1 1 68 68 MET HA H 145 4.115 4.115 3.856 0.259 18323 3049 1 8 . 1 1 68 68 MET C C 145 177.203 177.203 176.791 0.412 18323 3050 1 8 . 1 1 68 68 MET CA C 145 56.418 56.418 57.078 -0.660 18323 3051 1 8 . 1 1 68 68 MET CB C 145 31.806 31.806 31.732 0.074 18323 3052 1 8 . 1 1 68 68 MET H H 145 7.732 7.732 8.054 -0.322 18323 3053 1 8 . 1 1 69 69 THR N N 146 108.868 108.868 114.309 -5.441 18323 3054 1 8 . 1 1 69 69 THR HA H 146 4.288 4.288 4.102 0.186 18323 3055 1 8 . 1 1 69 69 THR C C 146 174.154 174.154 175.039 -0.885 18323 3056 1 8 . 1 1 69 69 THR CA C 146 61.692 61.692 63.981 -2.289 18323 3057 1 8 . 1 1 69 69 THR CB C 146 69.896 69.896 69.442 0.455 18323 3058 1 8 . 1 1 69 69 THR H H 146 7.649 7.649 7.784 -0.135 18323 3059 1 8 . 1 1 70 70 ALA N N 147 126.934 126.934 123.357 3.577 18323 3060 1 8 . 1 1 70 70 ALA HA H 147 4.287 4.287 4.124 0.163 18323 3061 1 8 . 1 1 70 70 ALA C C 147 176.686 176.686 176.385 0.301 18323 3062 1 8 . 1 1 70 70 ALA CA C 147 52.902 52.902 53.126 -0.224 18323 3063 1 8 . 1 1 70 70 ALA CB C 147 18.914 18.914 19.353 -0.439 18323 3064 1 8 . 1 1 70 70 ALA H H 147 7.546 7.546 7.307 0.239 18323 3065 1 9 . 1 1 2 2 THR N N 79 114.287 114.287 117.435 -3.148 18323 3066 1 9 . 1 1 2 2 THR HA H 79 4.281 4.281 4.525 -0.244 18323 3067 1 9 . 1 1 2 2 THR C C 79 174.598 174.598 173.919 0.679 18323 3068 1 9 . 1 1 2 2 THR CA C 79 62.278 62.278 62.382 -0.104 18323 3069 1 9 . 1 1 2 2 THR CB C 79 69.310 69.310 70.179 -0.869 18323 3070 1 9 . 1 1 2 2 THR H H 79 8.299 8.299 8.046 0.253 18323 3071 1 9 . 1 1 3 3 ASP N N 80 122.311 122.311 125.069 -2.758 18323 3072 1 9 . 1 1 3 3 ASP C C 80 176.788 176.788 174.991 1.797 18323 3073 1 9 . 1 1 3 3 ASP CA C 80 54.660 54.660 53.764 0.896 18323 3074 1 9 . 1 1 3 3 ASP CB C 80 41.182 41.182 41.689 -0.507 18323 3075 1 9 . 1 1 3 3 ASP H H 80 8.447 8.447 8.851 -0.404 18323 3076 1 9 . 1 1 4 4 SER N N 81 116.934 116.934 115.003 1.931 18323 3077 1 9 . 1 1 4 4 SER HA H 81 4.022 4.022 4.274 -0.252 18323 3078 1 9 . 1 1 4 4 SER C C 81 175.337 175.337 175.002 0.335 18323 3079 1 9 . 1 1 4 4 SER CA C 81 58.762 58.762 58.522 0.240 18323 3080 1 9 . 1 1 4 4 SER CB C 81 64.036 64.036 62.994 1.042 18323 3081 1 9 . 1 1 4 4 SER H H 81 8.351 8.351 8.268 0.083 18323 3082 1 9 . 1 1 5 5 GLU N N 82 123.423 123.423 121.830 1.593 18323 3083 1 9 . 1 1 5 5 GLU HA H 82 4.112 4.112 3.950 0.162 18323 3084 1 9 . 1 1 5 5 GLU C C 82 178.067 178.067 177.759 0.308 18323 3085 1 9 . 1 1 5 5 GLU CA C 82 59.348 59.348 58.362 0.986 18323 3086 1 9 . 1 1 5 5 GLU CB C 82 46.749 46.749 29.653 17.096 18323 3087 1 9 . 1 1 5 5 GLU H H 82 8.588 8.588 8.975 -0.387 18323 3088 1 9 . 1 1 6 6 GLU N N 83 118.987 118.987 120.005 -1.018 18323 3089 1 9 . 1 1 6 6 GLU CA C 83 59.348 59.348 59.026 0.322 18323 3090 1 9 . 1 1 6 6 GLU CB C 83 29.462 29.462 29.177 0.285 18323 3091 1 9 . 1 1 6 6 GLU H H 83 8.412 8.412 8.451 -0.039 18323 3092 1 9 . 1 1 7 7 GLU HA H 84 4.116 4.116 4.049 0.067 18323 3093 1 9 . 1 1 7 7 GLU C C 84 178.969 178.969 179.233 -0.264 18323 3094 1 9 . 1 1 7 7 GLU CA C 84 59.348 59.348 59.549 -0.201 18323 3095 1 9 . 1 1 7 7 GLU CB C 84 29.462 29.462 29.428 0.034 18323 3096 1 9 . 1 1 8 8 ILE N N 85 121.839 121.839 118.499 3.340 18323 3097 1 9 . 1 1 8 8 ILE HA H 85 3.917 3.917 3.614 0.303 18323 3098 1 9 . 1 1 8 8 ILE C C 85 178.283 178.283 178.117 0.166 18323 3099 1 9 . 1 1 8 8 ILE CA C 85 65.208 65.208 64.565 0.643 18323 3100 1 9 . 1 1 8 8 ILE CB C 85 37.080 37.080 37.535 -0.455 18323 3101 1 9 . 1 1 8 8 ILE H H 85 8.001 8.001 7.451 0.550 18323 3102 1 9 . 1 1 9 9 ARG N N 86 121.328 121.328 119.321 2.007 18323 3103 1 9 . 1 1 9 9 ARG HA H 86 4.260 4.260 4.313 -0.053 18323 3104 1 9 . 1 1 9 9 ARG C C 86 179.291 179.291 178.566 0.725 18323 3105 1 9 . 1 1 9 9 ARG CA C 86 59.934 59.934 59.114 0.820 18323 3106 1 9 . 1 1 9 9 ARG CB C 86 29.462 29.462 29.287 0.175 18323 3107 1 9 . 1 1 9 9 ARG H H 86 8.544 8.544 8.635 -0.091 18323 3108 1 9 . 1 1 10 10 GLU N N 87 118.332 118.332 118.499 -0.167 18323 3109 1 9 . 1 1 10 10 GLU HA H 87 4.116 4.116 4.188 -0.072 18323 3110 1 9 . 1 1 10 10 GLU C C 87 179.498 179.498 178.229 1.269 18323 3111 1 9 . 1 1 10 10 GLU CA C 87 59.348 59.348 58.336 1.012 18323 3112 1 9 . 1 1 10 10 GLU CB C 87 29.462 29.462 29.393 0.069 18323 3113 1 9 . 1 1 10 10 GLU H H 87 8.225 8.225 7.813 0.412 18323 3114 1 9 . 1 1 11 11 ALA N N 88 121.839 121.839 122.813 -0.974 18323 3115 1 9 . 1 1 11 11 ALA HA H 88 4.243 4.243 4.175 0.068 18323 3116 1 9 . 1 1 11 11 ALA C C 88 176.715 176.715 179.276 -2.561 18323 3117 1 9 . 1 1 11 11 ALA CA C 88 55.246 55.246 54.711 0.535 18323 3118 1 9 . 1 1 11 11 ALA CB C 88 18.136 18.136 18.358 -0.222 18323 3119 1 9 . 1 1 11 11 ALA H H 88 8.001 8.001 8.145 -0.144 18323 3120 1 9 . 1 1 12 12 PHE N N 89 118.794 118.794 118.471 0.323 18323 3121 1 9 . 1 1 12 12 PHE HA H 89 4.934 4.934 4.129 0.805 18323 3122 1 9 . 1 1 12 12 PHE C C 89 177.370 177.370 178.139 -0.769 18323 3123 1 9 . 1 1 12 12 PHE CA C 89 62.278 62.278 62.054 0.223 18323 3124 1 9 . 1 1 12 12 PHE CB C 89 39.424 39.424 38.145 1.279 18323 3125 1 9 . 1 1 12 12 PHE H H 89 8.630 8.630 7.492 1.138 18323 3126 1 9 . 1 1 13 13 ARG N N 90 115.837 115.837 117.549 -1.712 18323 3127 1 9 . 1 1 13 13 ARG HA H 90 3.862 3.862 4.053 -0.191 18323 3128 1 9 . 1 1 13 13 ARG C C 90 177.590 177.590 177.908 -0.318 18323 3129 1 9 . 1 1 13 13 ARG CA C 90 58.762 58.762 59.344 -0.582 18323 3130 1 9 . 1 1 13 13 ARG CB C 90 30.048 30.048 30.007 0.041 18323 3131 1 9 . 1 1 13 13 ARG H H 90 7.891 7.891 7.549 0.342 18323 3132 1 9 . 1 1 14 14 VAL N N 91 118.382 118.382 118.580 -0.198 18323 3133 1 9 . 1 1 14 14 VAL C C 91 176.343 176.343 177.570 -1.227 18323 3134 1 9 . 1 1 14 14 VAL CA C 91 65.794 65.794 65.638 0.156 18323 3135 1 9 . 1 1 14 14 VAL CB C 91 31.220 31.220 31.449 -0.229 18323 3136 1 9 . 1 1 14 14 VAL H H 91 7.407 7.407 7.646 -0.239 18323 3137 1 9 . 1 1 15 15 PHE N N 92 114.257 114.257 116.305 -2.048 18323 3138 1 9 . 1 1 15 15 PHE HA H 92 4.661 4.661 4.255 0.406 18323 3139 1 9 . 1 1 15 15 PHE C C 92 176.378 176.378 177.714 -1.336 18323 3140 1 9 . 1 1 15 15 PHE CA C 92 59.934 59.934 60.429 -0.495 18323 3141 1 9 . 1 1 15 15 PHE CB C 92 41.182 41.182 38.929 2.253 18323 3142 1 9 . 1 1 15 15 PHE H H 92 6.892 6.892 7.691 -0.799 18323 3143 1 9 . 1 1 16 16 ASP N N 93 116.288 116.288 119.217 -2.929 18323 3144 1 9 . 1 1 16 16 ASP HA H 93 4.617 4.617 4.737 -0.120 18323 3145 1 9 . 1 1 16 16 ASP C C 93 177.695 177.695 177.191 0.504 18323 3146 1 9 . 1 1 16 16 ASP CA C 93 51.730 51.730 53.418 -1.688 18323 3147 1 9 . 1 1 16 16 ASP CB C 93 38.838 38.838 38.879 -0.041 18323 3148 1 9 . 1 1 16 16 ASP H H 93 7.847 7.847 8.504 -0.657 18323 3149 1 9 . 1 1 17 17 LYS N N 94 125.440 125.440 120.883 4.557 18323 3150 1 9 . 1 1 17 17 LYS HA H 94 3.889 3.889 4.024 -0.135 18323 3151 1 9 . 1 1 17 17 LYS C C 94 178.290 178.290 176.983 1.307 18323 3152 1 9 . 1 1 17 17 LYS CA C 94 58.762 58.762 59.098 -0.336 18323 3153 1 9 . 1 1 17 17 LYS CB C 94 32.392 32.392 32.646 -0.254 18323 3154 1 9 . 1 1 17 17 LYS H H 94 7.662 7.662 8.414 -0.752 18323 3155 1 9 . 1 1 18 18 ASP N N 95 114.292 114.292 116.433 -2.141 18323 3156 1 9 . 1 1 18 18 ASP HA H 95 4.567 4.567 4.645 -0.078 18323 3157 1 9 . 1 1 18 18 ASP C C 95 177.826 177.826 176.102 1.724 18323 3158 1 9 . 1 1 18 18 ASP CA C 95 52.902 52.902 54.161 -1.259 18323 3159 1 9 . 1 1 18 18 ASP CB C 95 39.424 39.424 39.407 0.017 18323 3160 1 9 . 1 1 18 18 ASP H H 95 8.336 8.336 8.198 0.138 18323 3161 1 9 . 1 1 19 19 GLY N N 96 109.374 109.374 107.159 2.215 18323 3162 1 9 . 1 1 19 19 GLY C C 96 175.145 175.145 175.358 -0.213 18323 3163 1 9 . 1 1 19 19 GLY CA C 96 47.042 47.042 46.435 0.607 18323 3164 1 9 . 1 1 19 19 GLY H H 96 7.797 7.797 7.506 0.291 18323 3165 1 9 . 1 1 20 20 ASN N N 97 119.964 119.964 118.042 1.922 18323 3166 1 9 . 1 1 20 20 ASN HA H 97 4.670 4.670 4.677 -0.007 18323 3167 1 9 . 1 1 20 20 ASN C C 97 176.120 176.120 176.663 -0.543 18323 3168 1 9 . 1 1 20 20 ASN CA C 97 52.316 52.316 52.196 0.120 18323 3169 1 9 . 1 1 20 20 ASN CB C 97 38.252 38.252 38.548 -0.296 18323 3170 1 9 . 1 1 20 20 ASN H H 97 8.430 8.430 8.491 -0.061 18323 3171 1 9 . 1 1 21 21 GLY N N 98 112.726 112.726 107.149 5.577 18323 3172 1 9 . 1 1 21 21 GLY C C 98 172.751 172.751 172.981 -0.230 18323 3173 1 9 . 1 1 21 21 GLY CA C 98 44.698 44.698 46.076 -1.378 18323 3174 1 9 . 1 1 21 21 GLY H H 98 10.638 10.638 8.794 1.844 18323 3175 1 9 . 1 1 22 22 TYR N N 99 116.415 116.415 115.383 1.032 18323 3176 1 9 . 1 1 22 22 TYR C C 99 174.795 174.795 173.845 0.950 18323 3177 1 9 . 1 1 22 22 TYR CA C 99 56.418 56.418 56.356 0.062 18323 3178 1 9 . 1 1 22 22 TYR CB C 99 42.940 42.940 41.986 0.954 18323 3179 1 9 . 1 1 22 22 TYR H H 99 7.708 7.708 8.416 -0.708 18323 3180 1 9 . 1 1 23 23 ILE N N 100 127.488 127.488 121.590 5.898 18323 3181 1 9 . 1 1 23 23 ILE C C 100 175.543 175.543 175.502 0.041 18323 3182 1 9 . 1 1 23 23 ILE CA C 100 61.106 61.106 59.518 1.588 18323 3183 1 9 . 1 1 23 23 ILE CB C 100 39.424 39.424 38.332 1.092 18323 3184 1 9 . 1 1 23 23 ILE H H 100 10.197 10.197 8.772 1.425 18323 3185 1 9 . 1 1 24 24 SER N N 101 123.860 123.860 122.788 1.072 18323 3186 1 9 . 1 1 24 24 SER HA H 101 4.973 4.973 4.838 0.135 18323 3187 1 9 . 1 1 24 24 SER C C 101 175.300 175.300 175.480 -0.180 18323 3188 1 9 . 1 1 24 24 SER CA C 101 55.832 55.832 55.457 0.375 18323 3189 1 9 . 1 1 24 24 SER CB C 101 66.966 66.966 65.557 1.409 18323 3190 1 9 . 1 1 24 24 SER H H 101 8.998 8.998 8.665 0.333 18323 3191 1 9 . 1 1 25 25 ALA N N 102 123.328 123.328 126.906 -3.578 18323 3192 1 9 . 1 1 25 25 ALA HA H 102 3.938 3.938 4.049 -0.111 18323 3193 1 9 . 1 1 25 25 ALA C C 102 179.324 179.324 178.869 0.455 18323 3194 1 9 . 1 1 25 25 ALA CA C 102 55.832 55.832 55.093 0.739 18323 3195 1 9 . 1 1 25 25 ALA CB C 102 17.742 17.742 18.557 -0.815 18323 3196 1 9 . 1 1 25 25 ALA H H 102 9.377 9.377 8.954 0.423 18323 3197 1 9 . 1 1 26 26 ALA N N 103 118.536 118.536 119.840 -1.304 18323 3198 1 9 . 1 1 26 26 ALA HA H 103 4.054 4.054 3.774 0.280 18323 3199 1 9 . 1 1 26 26 ALA C C 103 181.535 181.535 179.613 1.922 18323 3200 1 9 . 1 1 26 26 ALA CA C 103 55.246 55.246 55.019 0.227 18323 3201 1 9 . 1 1 26 26 ALA CB C 103 18.328 18.328 18.280 0.048 18323 3202 1 9 . 1 1 26 26 ALA H H 103 8.317 8.317 7.850 0.467 18323 3203 1 9 . 1 1 27 27 GLU N N 104 120.419 120.419 118.569 1.850 18323 3204 1 9 . 1 1 27 27 GLU HA H 104 4.033 4.033 4.142 -0.109 18323 3205 1 9 . 1 1 27 27 GLU C C 104 178.950 178.950 179.130 -0.180 18323 3206 1 9 . 1 1 27 27 GLU CA C 104 59.348 59.348 59.430 -0.082 18323 3207 1 9 . 1 1 27 27 GLU CB C 104 28.876 28.876 29.446 -0.570 18323 3208 1 9 . 1 1 27 27 GLU H H 104 7.977 7.977 7.681 0.296 18323 3209 1 9 . 1 1 28 28 LEU N N 105 120.658 120.658 119.011 1.647 18323 3210 1 9 . 1 1 28 28 LEU HA H 105 4.178 4.178 4.363 -0.185 18323 3211 1 9 . 1 1 28 28 LEU C C 105 178.402 178.402 179.105 -0.703 18323 3212 1 9 . 1 1 28 28 LEU CA C 105 58.176 58.176 57.891 0.285 18323 3213 1 9 . 1 1 28 28 LEU CB C 105 41.768 41.768 41.364 0.404 18323 3214 1 9 . 1 1 28 28 LEU H H 105 8.500 8.500 7.276 1.224 18323 3215 1 9 . 1 1 29 29 ARG N N 106 117.807 117.807 118.605 -0.798 18323 3216 1 9 . 1 1 29 29 ARG HA H 106 4.042 4.042 3.945 0.097 18323 3217 1 9 . 1 1 29 29 ARG C C 106 177.506 177.506 178.491 -0.985 18323 3218 1 9 . 1 1 29 29 ARG CA C 106 59.934 59.934 59.469 0.465 18323 3219 1 9 . 1 1 29 29 ARG CB C 106 30.634 30.634 29.529 1.105 18323 3220 1 9 . 1 1 29 29 ARG H H 106 8.727 8.727 7.783 0.944 18323 3221 1 9 . 1 1 30 30 HIS N N 107 119.849 119.849 119.925 -0.076 18323 3222 1 9 . 1 1 30 30 HIS C C 107 177.862 177.862 178.069 -0.207 18323 3223 1 9 . 1 1 30 30 HIS CA C 107 59.934 59.934 58.718 1.216 18323 3224 1 9 . 1 1 30 30 HIS CB C 107 30.634 30.634 29.953 0.680 18323 3225 1 9 . 1 1 30 30 HIS H H 107 8.030 8.030 7.718 0.312 18323 3226 1 9 . 1 1 31 31 VAL N N 108 119.784 119.784 120.335 -0.551 18323 3227 1 9 . 1 1 31 31 VAL C C 108 178.437 178.437 177.812 0.625 18323 3228 1 9 . 1 1 31 31 VAL CA C 108 66.966 66.966 65.725 1.241 18323 3229 1 9 . 1 1 31 31 VAL CB C 108 31.806 31.806 31.479 0.327 18323 3230 1 9 . 1 1 31 31 VAL H H 108 8.322 8.322 8.030 0.292 18323 3231 1 9 . 1 1 32 32 MET N N 109 115.699 115.699 118.765 -3.066 18323 3232 1 9 . 1 1 32 32 MET HA H 109 4.343 4.343 4.140 0.203 18323 3233 1 9 . 1 1 32 32 MET C C 109 179.296 179.296 178.754 0.542 18323 3234 1 9 . 1 1 32 32 MET CA C 109 57.004 57.004 58.492 -1.488 18323 3235 1 9 . 1 1 32 32 MET CB C 109 29.462 29.462 31.336 -1.874 18323 3236 1 9 . 1 1 32 32 MET H H 109 8.397 8.397 8.578 -0.181 18323 3237 1 9 . 1 1 33 33 THR N N 110 116.362 116.362 116.107 0.255 18323 3238 1 9 . 1 1 33 33 THR C C 110 178.290 178.290 176.630 1.660 18323 3239 1 9 . 1 1 33 33 THR CA C 110 66.380 66.380 66.526 -0.146 18323 3240 1 9 . 1 1 33 33 THR CB C 110 68.724 68.724 68.678 0.046 18323 3241 1 9 . 1 1 33 33 THR H H 110 8.296 8.296 8.090 0.206 18323 3242 1 9 . 1 1 34 34 ASN N N 111 122.809 122.809 119.382 3.427 18323 3243 1 9 . 1 1 34 34 ASN HA H 111 4.619 4.619 4.480 0.139 18323 3244 1 9 . 1 1 34 34 ASN C C 111 176.698 176.698 177.421 -0.723 18323 3245 1 9 . 1 1 34 34 ASN CA C 111 55.832 55.832 55.598 0.234 18323 3246 1 9 . 1 1 34 34 ASN CB C 111 38.252 38.252 38.796 -0.544 18323 3247 1 9 . 1 1 34 34 ASN H H 111 7.936 7.936 8.053 -0.117 18323 3248 1 9 . 1 1 35 35 LEU N N 112 118.523 118.523 118.077 0.446 18323 3249 1 9 . 1 1 35 35 LEU HA H 112 4.322 4.322 4.096 0.226 18323 3250 1 9 . 1 1 35 35 LEU C C 112 177.205 177.205 177.847 -0.642 18323 3251 1 9 . 1 1 35 35 LEU CA C 112 55.246 55.246 56.519 -1.273 18323 3252 1 9 . 1 1 35 35 LEU CB C 112 42.354 42.354 42.553 -0.199 18323 3253 1 9 . 1 1 35 35 LEU H H 112 7.815 7.815 8.235 -0.420 18323 3254 1 9 . 1 1 36 36 GLY N N 113 107.203 107.203 104.397 2.806 18323 3255 1 9 . 1 1 36 36 GLY C C 113 174.354 174.354 174.707 -0.353 18323 3256 1 9 . 1 1 36 36 GLY CA C 113 45.284 45.284 44.495 0.789 18323 3257 1 9 . 1 1 36 36 GLY H H 113 7.853 7.853 7.686 0.167 18323 3258 1 9 . 1 1 37 37 GLU N N 114 120.199 120.199 121.642 -1.443 18323 3259 1 9 . 1 1 37 37 GLU HA H 114 4.435 4.435 4.320 0.115 18323 3260 1 9 . 1 1 37 37 GLU C C 114 175.359 175.359 175.533 -0.174 18323 3261 1 9 . 1 1 37 37 GLU CA C 114 54.660 54.660 55.930 -1.270 18323 3262 1 9 . 1 1 37 37 GLU CB C 114 30.634 30.634 30.833 -0.199 18323 3263 1 9 . 1 1 37 37 GLU H H 114 7.909 7.909 7.862 0.047 18323 3264 1 9 . 1 1 38 38 LYS N N 115 124.425 124.425 122.196 2.229 18323 3265 1 9 . 1 1 38 38 LYS HA H 115 4.372 4.372 4.526 -0.154 18323 3266 1 9 . 1 1 38 38 LYS C C 115 175.464 175.464 175.493 -0.029 18323 3267 1 9 . 1 1 38 38 LYS CA C 115 55.246 55.246 55.972 -0.726 18323 3268 1 9 . 1 1 38 38 LYS CB C 115 31.806 31.806 31.976 -0.170 18323 3269 1 9 . 1 1 38 38 LYS H H 115 8.642 8.642 8.526 0.116 18323 3270 1 9 . 1 1 39 39 LEU N N 116 125.258 125.258 122.044 3.214 18323 3271 1 9 . 1 1 39 39 LEU HA H 116 4.742 4.742 4.447 0.295 18323 3272 1 9 . 1 1 39 39 LEU C C 116 178.351 178.351 176.956 1.395 18323 3273 1 9 . 1 1 39 39 LEU CA C 116 54.074 54.074 55.033 -0.959 18323 3274 1 9 . 1 1 39 39 LEU CB C 116 44.112 44.112 42.998 1.114 18323 3275 1 9 . 1 1 39 39 LEU H H 116 8.102 8.102 7.757 0.345 18323 3276 1 9 . 1 1 40 40 THR N N 117 114.811 114.811 110.918 3.893 18323 3277 1 9 . 1 1 40 40 THR HA H 117 4.744 4.744 4.599 0.145 18323 3278 1 9 . 1 1 40 40 THR C C 117 175.522 175.522 175.147 0.375 18323 3279 1 9 . 1 1 40 40 THR CA C 117 60.520 60.520 59.839 0.681 18323 3280 1 9 . 1 1 40 40 THR CB C 117 71.068 71.068 71.262 -0.194 18323 3281 1 9 . 1 1 40 40 THR H H 117 9.297 9.297 8.018 1.279 18323 3282 1 9 . 1 1 41 41 ASP N N 118 121.232 121.232 126.211 -4.979 18323 3283 1 9 . 1 1 41 41 ASP C C 118 178.644 178.644 177.718 0.926 18323 3284 1 9 . 1 1 41 41 ASP CA C 118 57.590 57.590 57.258 0.332 18323 3285 1 9 . 1 1 41 41 ASP CB C 118 39.424 39.424 39.972 -0.548 18323 3286 1 9 . 1 1 41 41 ASP H H 118 8.967 8.967 8.988 -0.021 18323 3287 1 9 . 1 1 42 42 GLU N N 119 119.357 119.357 119.260 0.097 18323 3288 1 9 . 1 1 42 42 GLU HA H 119 4.051 4.051 4.053 -0.002 18323 3289 1 9 . 1 1 42 42 GLU C C 119 178.847 178.847 178.877 -0.030 18323 3290 1 9 . 1 1 42 42 GLU CA C 119 59.934 59.934 58.912 1.022 18323 3291 1 9 . 1 1 42 42 GLU CB C 119 28.876 28.876 29.233 -0.357 18323 3292 1 9 . 1 1 42 42 GLU H H 119 8.679 8.679 8.531 0.148 18323 3293 1 9 . 1 1 43 43 GLU N N 120 118.761 118.761 120.483 -1.722 18323 3294 1 9 . 1 1 43 43 GLU HA H 120 4.003 4.003 4.185 -0.182 18323 3295 1 9 . 1 1 43 43 GLU C C 120 179.996 179.996 178.783 1.213 18323 3296 1 9 . 1 1 43 43 GLU CA C 120 59.348 59.348 58.536 0.812 18323 3297 1 9 . 1 1 43 43 GLU CB C 120 30.048 30.048 29.485 0.563 18323 3298 1 9 . 1 1 43 43 GLU H H 120 7.998 7.998 8.022 -0.024 18323 3299 1 9 . 1 1 44 44 VAL N N 121 121.165 121.165 121.092 0.073 18323 3300 1 9 . 1 1 44 44 VAL HA H 121 3.439 3.439 3.510 -0.071 18323 3301 1 9 . 1 1 44 44 VAL C C 121 177.489 177.489 177.493 -0.004 18323 3302 1 9 . 1 1 44 44 VAL CA C 121 66.966 66.966 67.551 -0.585 18323 3303 1 9 . 1 1 44 44 VAL CB C 121 31.220 31.220 31.767 -0.547 18323 3304 1 9 . 1 1 44 44 VAL H H 121 8.051 8.051 8.542 -0.491 18323 3305 1 9 . 1 1 45 45 ASP N N 122 119.507 119.507 118.037 1.470 18323 3306 1 9 . 1 1 45 45 ASP HA H 122 4.338 4.338 4.243 0.095 18323 3307 1 9 . 1 1 45 45 ASP C C 122 179.226 179.226 178.642 0.584 18323 3308 1 9 . 1 1 45 45 ASP CA C 122 57.590 57.590 57.344 0.246 18323 3309 1 9 . 1 1 45 45 ASP CB C 122 40.596 40.596 40.700 -0.104 18323 3310 1 9 . 1 1 45 45 ASP H H 122 8.092 8.092 8.002 0.090 18323 3311 1 9 . 1 1 46 46 GLU N N 123 119.871 119.871 119.232 0.639 18323 3312 1 9 . 1 1 46 46 GLU HA H 123 4.033 4.033 4.167 -0.134 18323 3313 1 9 . 1 1 46 46 GLU C C 123 178.612 178.612 178.514 0.098 18323 3314 1 9 . 1 1 46 46 GLU CA C 123 59.348 59.348 58.237 1.111 18323 3315 1 9 . 1 1 46 46 GLU CB C 123 29.462 29.462 29.579 -0.117 18323 3316 1 9 . 1 1 46 46 GLU H H 123 8.131 8.131 7.484 0.647 18323 3317 1 9 . 1 1 47 47 MET N N 124 119.395 119.395 120.562 -1.167 18323 3318 1 9 . 1 1 47 47 MET CA C 124 60.520 60.520 59.844 0.676 18323 3319 1 9 . 1 1 47 47 MET CB C 124 32.978 32.978 32.543 0.435 18323 3320 1 9 . 1 1 47 47 MET H H 124 7.781 7.781 8.186 -0.405 18323 3321 1 9 . 1 1 48 48 ILE HA H 125 4.234 4.234 3.765 0.469 18323 3322 1 9 . 1 1 48 48 ILE C C 125 177.530 177.530 177.391 0.139 18323 3323 1 9 . 1 1 48 48 ILE CA C 125 63.450 63.450 64.086 -0.636 18323 3324 1 9 . 1 1 48 48 ILE CB C 125 35.908 35.908 37.634 -1.726 18323 3325 1 9 . 1 1 49 49 ARG N N 126 118.403 118.403 117.185 1.218 18323 3326 1 9 . 1 1 49 49 ARG HA H 126 4.105 4.105 4.078 0.027 18323 3327 1 9 . 1 1 49 49 ARG C C 126 178.928 178.928 178.949 -0.021 18323 3328 1 9 . 1 1 49 49 ARG CA C 126 59.934 59.934 58.607 1.327 18323 3329 1 9 . 1 1 49 49 ARG CB C 126 30.414 30.414 30.217 0.197 18323 3330 1 9 . 1 1 49 49 ARG H H 126 8.555 8.555 7.477 1.078 18323 3331 1 9 . 1 1 50 50 GLU N N 127 116.347 116.347 117.468 -1.121 18323 3332 1 9 . 1 1 50 50 GLU HA H 127 4.039 4.039 4.242 -0.203 18323 3333 1 9 . 1 1 50 50 GLU C C 127 176.941 176.941 176.510 0.431 18323 3334 1 9 . 1 1 50 50 GLU CA C 127 58.762 58.762 57.909 0.853 18323 3335 1 9 . 1 1 50 50 GLU CB C 127 30.048 30.048 30.120 -0.072 18323 3336 1 9 . 1 1 50 50 GLU H H 127 7.990 7.990 7.849 0.141 18323 3337 1 9 . 1 1 51 51 ALA N N 128 117.251 117.251 120.500 -3.249 18323 3338 1 9 . 1 1 51 51 ALA HA H 128 4.456 4.456 4.410 0.046 18323 3339 1 9 . 1 1 51 51 ALA C C 128 177.757 177.757 176.097 1.660 18323 3340 1 9 . 1 1 51 51 ALA CA C 128 51.730 51.730 51.466 0.264 18323 3341 1 9 . 1 1 51 51 ALA CB C 128 21.844 21.844 18.857 2.987 18323 3342 1 9 . 1 1 51 51 ALA H H 128 7.126 7.126 7.122 0.004 18323 3343 1 9 . 1 1 52 52 ASP N N 129 117.909 117.909 119.788 -1.879 18323 3344 1 9 . 1 1 52 52 ASP HA H 129 4.502 4.502 4.798 -0.296 18323 3345 1 9 . 1 1 52 52 ASP C C 129 175.854 175.854 175.760 0.094 18323 3346 1 9 . 1 1 52 52 ASP CA C 129 54.074 54.074 53.454 0.620 18323 3347 1 9 . 1 1 52 52 ASP CB C 129 40.596 40.596 41.326 -0.730 18323 3348 1 9 . 1 1 52 52 ASP H H 129 7.962 7.962 7.571 0.391 18323 3349 1 9 . 1 1 53 53 ILE N N 130 127.900 127.900 124.168 3.732 18323 3350 1 9 . 1 1 53 53 ILE C C 130 177.995 177.995 177.303 0.692 18323 3351 1 9 . 1 1 53 53 ILE CA C 130 63.450 63.450 61.417 2.033 18323 3352 1 9 . 1 1 53 53 ILE CB C 130 38.838 38.838 38.148 0.690 18323 3353 1 9 . 1 1 53 53 ILE H H 130 8.261 8.261 8.150 0.110 18323 3354 1 9 . 1 1 54 54 ASP N N 131 116.678 116.678 119.154 -2.476 18323 3355 1 9 . 1 1 54 54 ASP HA H 131 4.541 4.541 4.525 0.016 18323 3356 1 9 . 1 1 54 54 ASP C C 131 178.283 178.283 177.529 0.754 18323 3357 1 9 . 1 1 54 54 ASP CA C 131 54.074 54.074 54.980 -0.906 18323 3358 1 9 . 1 1 54 54 ASP CB C 131 40.010 40.010 41.449 -1.439 18323 3359 1 9 . 1 1 54 54 ASP H H 131 8.372 8.372 8.213 0.159 18323 3360 1 9 . 1 1 55 55 GLY N N 132 108.866 108.866 108.448 0.418 18323 3361 1 9 . 1 1 55 55 GLY C C 132 175.365 175.365 174.542 0.823 18323 3362 1 9 . 1 1 55 55 GLY CA C 132 47.628 47.628 45.683 1.945 18323 3363 1 9 . 1 1 55 55 GLY H H 132 7.679 7.679 8.845 -1.166 18323 3364 1 9 . 1 1 56 56 ASP N N 133 120.968 120.968 118.580 2.388 18323 3365 1 9 . 1 1 56 56 ASP HA H 133 4.493 4.493 4.652 -0.159 18323 3366 1 9 . 1 1 56 56 ASP C C 133 177.582 177.582 177.287 0.295 18323 3367 1 9 . 1 1 56 56 ASP CA C 133 53.488 53.488 53.311 0.177 18323 3368 1 9 . 1 1 56 56 ASP CB C 133 40.010 40.010 41.791 -1.780 18323 3369 1 9 . 1 1 56 56 ASP H H 133 8.415 8.415 8.372 0.043 18323 3370 1 9 . 1 1 57 57 GLY N N 134 112.821 112.821 108.636 4.185 18323 3371 1 9 . 1 1 57 57 GLY C C 134 172.847 172.847 173.044 -0.197 18323 3372 1 9 . 1 1 57 57 GLY CA C 134 45.870 45.870 44.940 0.930 18323 3373 1 9 . 1 1 57 57 GLY H H 134 10.300 10.300 8.109 2.191 18323 3374 1 9 . 1 1 58 58 GLN N N 135 115.391 115.391 118.411 -3.020 18323 3375 1 9 . 1 1 58 58 GLN HA H 135 5.003 5.003 4.816 0.187 18323 3376 1 9 . 1 1 58 58 GLN C C 135 175.019 175.019 175.054 -0.035 18323 3377 1 9 . 1 1 58 58 GLN CA C 135 52.902 52.902 53.569 -0.667 18323 3378 1 9 . 1 1 58 58 GLN CB C 135 32.978 32.978 30.232 2.746 18323 3379 1 9 . 1 1 58 58 GLN H H 135 8.022 8.022 7.817 0.205 18323 3380 1 9 . 1 1 59 59 VAL N N 136 125.596 125.596 125.587 0.009 18323 3381 1 9 . 1 1 59 59 VAL HA H 136 5.134 5.134 4.375 0.759 18323 3382 1 9 . 1 1 59 59 VAL C C 136 175.912 175.912 176.140 -0.228 18323 3383 1 9 . 1 1 59 59 VAL CA C 136 61.613 61.613 61.737 -0.124 18323 3384 1 9 . 1 1 59 59 VAL CB C 136 33.694 33.694 32.297 1.397 18323 3385 1 9 . 1 1 59 59 VAL H H 136 9.176 9.176 8.065 1.111 18323 3386 1 9 . 1 1 60 60 ASN N N 137 129.229 129.229 126.106 3.123 18323 3387 1 9 . 1 1 60 60 ASN HA H 137 5.371 5.371 4.697 0.674 18323 3388 1 9 . 1 1 60 60 ASN C C 137 174.805 174.805 176.735 -1.930 18323 3389 1 9 . 1 1 60 60 ASN CA C 137 51.144 51.144 53.250 -2.106 18323 3390 1 9 . 1 1 60 60 ASN CB C 137 38.252 38.252 39.205 -0.953 18323 3391 1 9 . 1 1 60 60 ASN H H 137 9.576 9.576 8.346 1.230 18323 3392 1 9 . 1 1 61 61 TYR N N 138 118.597 118.597 120.024 -1.427 18323 3393 1 9 . 1 1 61 61 TYR C C 138 176.119 176.119 178.056 -1.937 18323 3394 1 9 . 1 1 61 61 TYR CA C 138 62.278 62.278 61.465 0.813 18323 3395 1 9 . 1 1 61 61 TYR CB C 138 37.666 37.666 38.088 -0.422 18323 3396 1 9 . 1 1 61 61 TYR H H 138 8.268 8.268 8.860 -0.592 18323 3397 1 9 . 1 1 62 62 GLU N N 139 118.441 118.441 119.836 -1.395 18323 3398 1 9 . 1 1 62 62 GLU HA H 139 4.123 4.123 4.060 0.063 18323 3399 1 9 . 1 1 62 62 GLU C C 139 179.189 179.189 178.936 0.253 18323 3400 1 9 . 1 1 62 62 GLU CA C 139 59.934 59.934 60.308 -0.374 18323 3401 1 9 . 1 1 62 62 GLU CB C 139 28.876 28.876 28.873 0.003 18323 3402 1 9 . 1 1 62 62 GLU H H 139 8.087 8.087 9.086 -0.999 18323 3403 1 9 . 1 1 63 63 GLU N N 140 120.992 120.992 118.571 2.421 18323 3404 1 9 . 1 1 63 63 GLU HA H 140 3.914 3.914 4.092 -0.178 18323 3405 1 9 . 1 1 63 63 GLU C C 140 179.328 179.328 178.791 0.537 18323 3406 1 9 . 1 1 63 63 GLU CA C 140 58.762 58.762 59.222 -0.460 18323 3407 1 9 . 1 1 63 63 GLU CB C 140 29.462 29.462 29.232 0.230 18323 3408 1 9 . 1 1 63 63 GLU H H 140 7.761 7.761 8.927 -1.166 18323 3409 1 9 . 1 1 64 64 PHE N N 141 123.798 123.798 119.741 4.057 18323 3410 1 9 . 1 1 64 64 PHE C C 141 176.843 176.843 176.853 -0.010 18323 3411 1 9 . 1 1 64 64 PHE CA C 141 61.692 61.692 60.262 1.430 18323 3412 1 9 . 1 1 64 64 PHE CB C 141 39.917 39.917 39.553 0.364 18323 3413 1 9 . 1 1 64 64 PHE H H 141 8.529 8.529 7.573 0.956 18323 3414 1 9 . 1 1 65 65 VAL N N 142 119.218 119.218 119.885 -0.667 18323 3415 1 9 . 1 1 65 65 VAL C C 142 179.497 179.497 177.629 1.868 18323 3416 1 9 . 1 1 65 65 VAL CA C 142 66.966 66.966 67.167 -0.201 18323 3417 1 9 . 1 1 65 65 VAL CB C 142 31.220 31.220 31.827 -0.607 18323 3418 1 9 . 1 1 65 65 VAL H H 142 8.672 8.672 8.740 -0.068 18323 3419 1 9 . 1 1 66 66 GLN N N 143 118.362 118.362 117.304 1.058 18323 3420 1 9 . 1 1 66 66 GLN HA H 143 3.845 3.845 3.913 -0.068 18323 3421 1 9 . 1 1 66 66 GLN C C 143 177.881 177.881 178.248 -0.367 18323 3422 1 9 . 1 1 66 66 GLN CA C 143 58.762 58.762 58.649 0.113 18323 3423 1 9 . 1 1 66 66 GLN CB C 143 27.704 27.704 28.413 -0.709 18323 3424 1 9 . 1 1 66 66 GLN H H 143 7.550 7.550 8.222 -0.672 18323 3425 1 9 . 1 1 67 67 MET N N 144 116.720 116.720 117.574 -0.854 18323 3426 1 9 . 1 1 67 67 MET C C 144 177.803 177.803 178.560 -0.757 18323 3427 1 9 . 1 1 67 67 MET CA C 144 56.418 56.418 57.796 -1.378 18323 3428 1 9 . 1 1 67 67 MET CB C 144 31.806 31.806 31.982 -0.176 18323 3429 1 9 . 1 1 67 67 MET H H 144 7.300 7.300 7.595 -0.294 18323 3430 1 9 . 1 1 68 68 MET N N 145 116.116 116.116 116.551 -0.435 18323 3431 1 9 . 1 1 68 68 MET HA H 145 4.115 4.115 3.734 0.381 18323 3432 1 9 . 1 1 68 68 MET C C 145 177.203 177.203 177.973 -0.770 18323 3433 1 9 . 1 1 68 68 MET CA C 145 56.418 56.418 58.521 -2.103 18323 3434 1 9 . 1 1 68 68 MET CB C 145 31.806 31.806 31.628 0.177 18323 3435 1 9 . 1 1 68 68 MET H H 145 7.732 7.732 8.319 -0.587 18323 3436 1 9 . 1 1 69 69 THR N N 146 108.868 108.868 110.745 -1.877 18323 3437 1 9 . 1 1 69 69 THR HA H 146 4.288 4.288 4.274 0.014 18323 3438 1 9 . 1 1 69 69 THR C C 146 174.154 174.154 175.278 -1.124 18323 3439 1 9 . 1 1 69 69 THR CA C 146 61.692 61.692 63.061 -1.369 18323 3440 1 9 . 1 1 69 69 THR CB C 146 69.896 69.896 69.653 0.243 18323 3441 1 9 . 1 1 69 69 THR H H 146 7.649 7.649 7.416 0.233 18323 3442 1 9 . 1 1 70 70 ALA N N 147 126.934 126.934 126.069 0.865 18323 3443 1 9 . 1 1 70 70 ALA HA H 147 4.287 4.287 4.271 0.016 18323 3444 1 9 . 1 1 70 70 ALA C C 147 176.686 176.686 175.835 0.851 18323 3445 1 9 . 1 1 70 70 ALA CA C 147 52.902 52.902 52.378 0.524 18323 3446 1 9 . 1 1 70 70 ALA CB C 147 18.914 18.914 18.104 0.810 18323 3447 1 9 . 1 1 70 70 ALA H H 147 7.546 7.546 7.729 -0.183 18323 3448 1 10 . 1 1 2 2 THR N N 79 114.287 114.287 113.436 0.851 18323 3449 1 10 . 1 1 2 2 THR HA H 79 4.281 4.281 4.339 -0.058 18323 3450 1 10 . 1 1 2 2 THR C C 79 174.598 174.598 175.105 -0.507 18323 3451 1 10 . 1 1 2 2 THR CA C 79 62.278 62.278 63.293 -1.015 18323 3452 1 10 . 1 1 2 2 THR CB C 79 69.310 69.310 69.574 -0.264 18323 3453 1 10 . 1 1 2 2 THR H H 79 8.299 8.299 8.249 0.050 18323 3454 1 10 . 1 1 3 3 ASP N N 80 122.311 122.311 121.759 0.552 18323 3455 1 10 . 1 1 3 3 ASP C C 80 176.788 176.788 176.389 0.399 18323 3456 1 10 . 1 1 3 3 ASP CA C 80 54.660 54.660 54.498 0.162 18323 3457 1 10 . 1 1 3 3 ASP CB C 80 41.182 41.182 41.216 -0.034 18323 3458 1 10 . 1 1 3 3 ASP H H 80 8.447 8.447 8.227 0.220 18323 3459 1 10 . 1 1 4 4 SER N N 81 116.934 116.934 112.253 4.681 18323 3460 1 10 . 1 1 4 4 SER HA H 81 4.022 4.022 4.476 -0.454 18323 3461 1 10 . 1 1 4 4 SER C C 81 175.337 175.337 173.998 1.339 18323 3462 1 10 . 1 1 4 4 SER CA C 81 58.762 58.762 58.183 0.579 18323 3463 1 10 . 1 1 4 4 SER CB C 81 64.036 64.036 64.530 -0.494 18323 3464 1 10 . 1 1 4 4 SER H H 81 8.351 8.351 7.834 0.517 18323 3465 1 10 . 1 1 5 5 GLU N N 82 123.423 123.423 122.866 0.557 18323 3466 1 10 . 1 1 5 5 GLU HA H 82 4.112 4.112 3.868 0.244 18323 3467 1 10 . 1 1 5 5 GLU C C 82 178.067 178.067 177.736 0.331 18323 3468 1 10 . 1 1 5 5 GLU CA C 82 59.348 59.348 59.292 0.056 18323 3469 1 10 . 1 1 5 5 GLU CB C 82 46.749 46.749 29.514 17.235 18323 3470 1 10 . 1 1 5 5 GLU H H 82 8.588 8.588 8.915 -0.327 18323 3471 1 10 . 1 1 6 6 GLU N N 83 118.987 118.987 118.414 0.573 18323 3472 1 10 . 1 1 6 6 GLU CA C 83 59.348 59.348 59.193 0.155 18323 3473 1 10 . 1 1 6 6 GLU CB C 83 29.462 29.462 29.208 0.254 18323 3474 1 10 . 1 1 6 6 GLU H H 83 8.412 8.412 8.559 -0.147 18323 3475 1 10 . 1 1 7 7 GLU HA H 84 4.116 4.116 4.029 0.087 18323 3476 1 10 . 1 1 7 7 GLU C C 84 178.969 178.969 178.912 0.057 18323 3477 1 10 . 1 1 7 7 GLU CA C 84 59.348 59.348 59.233 0.115 18323 3478 1 10 . 1 1 7 7 GLU CB C 84 29.462 29.462 29.472 -0.010 18323 3479 1 10 . 1 1 8 8 ILE N N 85 121.839 121.839 118.464 3.375 18323 3480 1 10 . 1 1 8 8 ILE HA H 85 3.917 3.917 3.715 0.202 18323 3481 1 10 . 1 1 8 8 ILE C C 85 178.283 178.283 178.654 -0.371 18323 3482 1 10 . 1 1 8 8 ILE CA C 85 65.208 65.208 65.214 -0.006 18323 3483 1 10 . 1 1 8 8 ILE CB C 85 37.080 37.080 37.920 -0.840 18323 3484 1 10 . 1 1 8 8 ILE H H 85 8.001 8.001 7.380 0.621 18323 3485 1 10 . 1 1 9 9 ARG N N 86 121.328 121.328 119.961 1.367 18323 3486 1 10 . 1 1 9 9 ARG HA H 86 4.260 4.260 3.928 0.332 18323 3487 1 10 . 1 1 9 9 ARG C C 86 179.291 179.291 178.567 0.724 18323 3488 1 10 . 1 1 9 9 ARG CA C 86 59.934 59.934 59.944 -0.010 18323 3489 1 10 . 1 1 9 9 ARG CB C 86 29.462 29.462 29.844 -0.382 18323 3490 1 10 . 1 1 9 9 ARG H H 86 8.544 8.544 7.702 0.842 18323 3491 1 10 . 1 1 10 10 GLU N N 87 118.332 118.332 118.086 0.246 18323 3492 1 10 . 1 1 10 10 GLU HA H 87 4.116 4.116 4.177 -0.061 18323 3493 1 10 . 1 1 10 10 GLU C C 87 179.498 179.498 178.509 0.989 18323 3494 1 10 . 1 1 10 10 GLU CA C 87 59.348 59.348 58.458 0.890 18323 3495 1 10 . 1 1 10 10 GLU CB C 87 29.462 29.462 29.377 0.085 18323 3496 1 10 . 1 1 10 10 GLU H H 87 8.225 8.225 8.194 0.031 18323 3497 1 10 . 1 1 11 11 ALA N N 88 121.839 121.839 123.123 -1.284 18323 3498 1 10 . 1 1 11 11 ALA HA H 88 4.243 4.243 4.310 -0.067 18323 3499 1 10 . 1 1 11 11 ALA C C 88 176.715 176.715 179.204 -2.489 18323 3500 1 10 . 1 1 11 11 ALA CA C 88 55.246 55.246 54.911 0.335 18323 3501 1 10 . 1 1 11 11 ALA CB C 88 18.136 18.136 18.389 -0.253 18323 3502 1 10 . 1 1 11 11 ALA H H 88 8.001 8.001 8.283 -0.282 18323 3503 1 10 . 1 1 12 12 PHE N N 89 118.794 118.794 118.754 0.040 18323 3504 1 10 . 1 1 12 12 PHE HA H 89 4.934 4.934 4.058 0.876 18323 3505 1 10 . 1 1 12 12 PHE C C 89 177.370 177.370 178.378 -1.008 18323 3506 1 10 . 1 1 12 12 PHE CA C 89 62.278 62.278 62.628 -0.350 18323 3507 1 10 . 1 1 12 12 PHE CB C 89 39.424 39.424 38.569 0.855 18323 3508 1 10 . 1 1 12 12 PHE H H 89 8.630 8.630 8.020 0.610 18323 3509 1 10 . 1 1 13 13 ARG N N 90 115.837 115.837 116.963 -1.126 18323 3510 1 10 . 1 1 13 13 ARG HA H 90 3.862 3.862 4.098 -0.236 18323 3511 1 10 . 1 1 13 13 ARG C C 90 177.590 177.590 178.152 -0.562 18323 3512 1 10 . 1 1 13 13 ARG CA C 90 58.762 58.762 58.327 0.435 18323 3513 1 10 . 1 1 13 13 ARG CB C 90 30.048 30.048 29.291 0.757 18323 3514 1 10 . 1 1 13 13 ARG H H 90 7.891 7.891 7.643 0.248 18323 3515 1 10 . 1 1 14 14 VAL N N 91 118.382 118.382 118.449 -0.067 18323 3516 1 10 . 1 1 14 14 VAL C C 91 176.343 176.343 178.388 -2.045 18323 3517 1 10 . 1 1 14 14 VAL CA C 91 65.794 65.794 65.718 0.076 18323 3518 1 10 . 1 1 14 14 VAL CB C 91 31.220 31.220 31.891 -0.671 18323 3519 1 10 . 1 1 14 14 VAL H H 91 7.407 7.407 7.382 0.025 18323 3520 1 10 . 1 1 15 15 PHE N N 92 114.257 114.257 117.608 -3.351 18323 3521 1 10 . 1 1 15 15 PHE HA H 92 4.661 4.661 4.211 0.450 18323 3522 1 10 . 1 1 15 15 PHE C C 92 176.378 176.378 177.509 -1.131 18323 3523 1 10 . 1 1 15 15 PHE CA C 92 59.934 59.934 59.782 0.152 18323 3524 1 10 . 1 1 15 15 PHE CB C 92 41.182 41.182 38.773 2.409 18323 3525 1 10 . 1 1 15 15 PHE H H 92 6.892 6.892 8.984 -2.092 18323 3526 1 10 . 1 1 16 16 ASP N N 93 116.288 116.288 119.542 -3.254 18323 3527 1 10 . 1 1 16 16 ASP HA H 93 4.617 4.617 4.726 -0.109 18323 3528 1 10 . 1 1 16 16 ASP C C 93 177.695 177.695 177.718 -0.023 18323 3529 1 10 . 1 1 16 16 ASP CA C 93 51.730 51.730 53.988 -2.258 18323 3530 1 10 . 1 1 16 16 ASP CB C 93 38.838 38.838 39.091 -0.253 18323 3531 1 10 . 1 1 16 16 ASP H H 93 7.847 7.847 8.677 -0.830 18323 3532 1 10 . 1 1 17 17 LYS N N 94 125.440 125.440 121.460 3.980 18323 3533 1 10 . 1 1 17 17 LYS HA H 94 3.889 3.889 3.949 -0.060 18323 3534 1 10 . 1 1 17 17 LYS C C 94 178.290 178.290 177.056 1.234 18323 3535 1 10 . 1 1 17 17 LYS CA C 94 58.762 58.762 59.179 -0.417 18323 3536 1 10 . 1 1 17 17 LYS CB C 94 32.392 32.392 32.486 -0.094 18323 3537 1 10 . 1 1 17 17 LYS H H 94 7.662 7.662 8.427 -0.765 18323 3538 1 10 . 1 1 18 18 ASP N N 95 114.292 114.292 116.198 -1.906 18323 3539 1 10 . 1 1 18 18 ASP HA H 95 4.567 4.567 4.577 -0.010 18323 3540 1 10 . 1 1 18 18 ASP C C 95 177.826 177.826 176.445 1.381 18323 3541 1 10 . 1 1 18 18 ASP CA C 95 52.902 52.902 53.990 -1.088 18323 3542 1 10 . 1 1 18 18 ASP CB C 95 39.424 39.424 39.527 -0.103 18323 3543 1 10 . 1 1 18 18 ASP H H 95 8.336 8.336 8.101 0.235 18323 3544 1 10 . 1 1 19 19 GLY N N 96 109.374 109.374 107.416 1.958 18323 3545 1 10 . 1 1 19 19 GLY C C 96 175.145 175.145 175.019 0.126 18323 3546 1 10 . 1 1 19 19 GLY CA C 96 47.042 47.042 46.200 0.842 18323 3547 1 10 . 1 1 19 19 GLY H H 96 7.797 7.797 7.753 0.044 18323 3548 1 10 . 1 1 20 20 ASN N N 97 119.964 119.964 117.101 2.863 18323 3549 1 10 . 1 1 20 20 ASN HA H 97 4.670 4.670 4.614 0.056 18323 3550 1 10 . 1 1 20 20 ASN C C 97 176.120 176.120 176.798 -0.678 18323 3551 1 10 . 1 1 20 20 ASN CA C 97 52.316 52.316 52.279 0.037 18323 3552 1 10 . 1 1 20 20 ASN CB C 97 38.252 38.252 38.790 -0.538 18323 3553 1 10 . 1 1 20 20 ASN H H 97 8.430 8.430 8.588 -0.158 18323 3554 1 10 . 1 1 21 21 GLY N N 98 112.726 112.726 107.406 5.320 18323 3555 1 10 . 1 1 21 21 GLY C C 98 172.751 172.751 172.735 0.016 18323 3556 1 10 . 1 1 21 21 GLY CA C 98 44.698 44.698 46.032 -1.334 18323 3557 1 10 . 1 1 21 21 GLY H H 98 10.638 10.638 8.793 1.845 18323 3558 1 10 . 1 1 22 22 TYR N N 99 116.415 116.415 114.648 1.767 18323 3559 1 10 . 1 1 22 22 TYR C C 99 174.795 174.795 173.605 1.190 18323 3560 1 10 . 1 1 22 22 TYR CA C 99 56.418 56.418 56.700 -0.282 18323 3561 1 10 . 1 1 22 22 TYR CB C 99 42.940 42.940 41.830 1.110 18323 3562 1 10 . 1 1 22 22 TYR H H 99 7.708 7.708 8.331 -0.623 18323 3563 1 10 . 1 1 23 23 ILE N N 100 127.488 127.488 119.769 7.719 18323 3564 1 10 . 1 1 23 23 ILE C C 100 175.543 175.543 175.271 0.272 18323 3565 1 10 . 1 1 23 23 ILE CA C 100 61.106 61.106 59.114 1.992 18323 3566 1 10 . 1 1 23 23 ILE CB C 100 39.424 39.424 38.315 1.109 18323 3567 1 10 . 1 1 23 23 ILE H H 100 10.197 10.197 8.701 1.496 18323 3568 1 10 . 1 1 24 24 SER N N 101 123.860 123.860 121.424 2.436 18323 3569 1 10 . 1 1 24 24 SER HA H 101 4.973 4.973 4.852 0.121 18323 3570 1 10 . 1 1 24 24 SER C C 101 175.300 175.300 175.411 -0.111 18323 3571 1 10 . 1 1 24 24 SER CA C 101 55.832 55.832 55.745 0.087 18323 3572 1 10 . 1 1 24 24 SER CB C 101 66.966 66.966 65.717 1.249 18323 3573 1 10 . 1 1 24 24 SER H H 101 8.998 8.998 8.848 0.150 18323 3574 1 10 . 1 1 25 25 ALA N N 102 123.328 123.328 127.462 -4.134 18323 3575 1 10 . 1 1 25 25 ALA HA H 102 3.938 3.938 4.096 -0.158 18323 3576 1 10 . 1 1 25 25 ALA C C 102 179.324 179.324 178.824 0.500 18323 3577 1 10 . 1 1 25 25 ALA CA C 102 55.832 55.832 55.014 0.818 18323 3578 1 10 . 1 1 25 25 ALA CB C 102 17.742 17.742 18.459 -0.716 18323 3579 1 10 . 1 1 25 25 ALA H H 102 9.377 9.377 8.828 0.549 18323 3580 1 10 . 1 1 26 26 ALA N N 103 118.536 118.536 119.847 -1.311 18323 3581 1 10 . 1 1 26 26 ALA HA H 103 4.054 4.054 3.961 0.093 18323 3582 1 10 . 1 1 26 26 ALA C C 103 181.535 181.535 179.443 2.092 18323 3583 1 10 . 1 1 26 26 ALA CA C 103 55.246 55.246 54.941 0.305 18323 3584 1 10 . 1 1 26 26 ALA CB C 103 18.328 18.328 18.394 -0.066 18323 3585 1 10 . 1 1 26 26 ALA H H 103 8.317 8.317 7.774 0.543 18323 3586 1 10 . 1 1 27 27 GLU N N 104 120.419 120.419 118.620 1.799 18323 3587 1 10 . 1 1 27 27 GLU HA H 104 4.033 4.033 3.971 0.062 18323 3588 1 10 . 1 1 27 27 GLU C C 104 178.950 178.950 178.884 0.066 18323 3589 1 10 . 1 1 27 27 GLU CA C 104 59.348 59.348 59.101 0.247 18323 3590 1 10 . 1 1 27 27 GLU CB C 104 28.876 28.876 29.380 -0.504 18323 3591 1 10 . 1 1 27 27 GLU H H 104 7.977 7.977 7.642 0.335 18323 3592 1 10 . 1 1 28 28 LEU N N 105 120.658 120.658 119.150 1.508 18323 3593 1 10 . 1 1 28 28 LEU HA H 105 4.178 4.178 4.034 0.144 18323 3594 1 10 . 1 1 28 28 LEU C C 105 178.402 178.402 179.051 -0.649 18323 3595 1 10 . 1 1 28 28 LEU CA C 105 58.176 58.176 57.837 0.340 18323 3596 1 10 . 1 1 28 28 LEU CB C 105 41.768 41.768 41.379 0.389 18323 3597 1 10 . 1 1 28 28 LEU H H 105 8.500 8.500 7.286 1.214 18323 3598 1 10 . 1 1 29 29 ARG N N 106 117.807 117.807 117.596 0.211 18323 3599 1 10 . 1 1 29 29 ARG HA H 106 4.042 4.042 3.921 0.121 18323 3600 1 10 . 1 1 29 29 ARG C C 106 177.506 177.506 178.402 -0.896 18323 3601 1 10 . 1 1 29 29 ARG CA C 106 59.934 59.934 59.352 0.582 18323 3602 1 10 . 1 1 29 29 ARG CB C 106 30.634 30.634 29.475 1.159 18323 3603 1 10 . 1 1 29 29 ARG H H 106 8.727 8.727 7.645 1.082 18323 3604 1 10 . 1 1 30 30 HIS N N 107 119.849 119.849 120.015 -0.166 18323 3605 1 10 . 1 1 30 30 HIS C C 107 177.862 177.862 177.247 0.615 18323 3606 1 10 . 1 1 30 30 HIS CA C 107 59.934 59.934 59.450 0.484 18323 3607 1 10 . 1 1 30 30 HIS CB C 107 30.634 30.634 30.384 0.250 18323 3608 1 10 . 1 1 30 30 HIS H H 107 8.030 8.030 7.814 0.216 18323 3609 1 10 . 1 1 31 31 VAL N N 108 119.784 119.784 119.983 -0.199 18323 3610 1 10 . 1 1 31 31 VAL C C 108 178.437 178.437 177.735 0.702 18323 3611 1 10 . 1 1 31 31 VAL CA C 108 66.966 66.966 66.692 0.274 18323 3612 1 10 . 1 1 31 31 VAL CB C 108 31.806 31.806 31.384 0.422 18323 3613 1 10 . 1 1 31 31 VAL H H 108 8.322 8.322 8.361 -0.039 18323 3614 1 10 . 1 1 32 32 MET N N 109 115.699 115.699 117.330 -1.631 18323 3615 1 10 . 1 1 32 32 MET HA H 109 4.343 4.343 4.073 0.270 18323 3616 1 10 . 1 1 32 32 MET C C 109 179.296 179.296 178.507 0.789 18323 3617 1 10 . 1 1 32 32 MET CA C 109 57.004 57.004 57.841 -0.837 18323 3618 1 10 . 1 1 32 32 MET CB C 109 29.462 29.462 30.895 -1.433 18323 3619 1 10 . 1 1 32 32 MET H H 109 8.397 8.397 7.933 0.464 18323 3620 1 10 . 1 1 33 33 THR N N 110 116.362 116.362 116.033 0.329 18323 3621 1 10 . 1 1 33 33 THR C C 110 178.290 178.290 176.410 1.880 18323 3622 1 10 . 1 1 33 33 THR CA C 110 66.380 66.380 66.984 -0.604 18323 3623 1 10 . 1 1 33 33 THR CB C 110 68.724 68.724 68.259 0.465 18323 3624 1 10 . 1 1 33 33 THR H H 110 8.296 8.296 8.015 0.281 18323 3625 1 10 . 1 1 34 34 ASN N N 111 122.809 122.809 119.089 3.720 18323 3626 1 10 . 1 1 34 34 ASN HA H 111 4.619 4.619 4.438 0.181 18323 3627 1 10 . 1 1 34 34 ASN C C 111 176.698 176.698 177.575 -0.877 18323 3628 1 10 . 1 1 34 34 ASN CA C 111 55.832 55.832 55.527 0.305 18323 3629 1 10 . 1 1 34 34 ASN CB C 111 38.252 38.252 38.648 -0.396 18323 3630 1 10 . 1 1 34 34 ASN H H 111 7.936 7.936 8.223 -0.287 18323 3631 1 10 . 1 1 35 35 LEU N N 112 118.523 118.523 118.319 0.204 18323 3632 1 10 . 1 1 35 35 LEU HA H 112 4.322 4.322 4.123 0.199 18323 3633 1 10 . 1 1 35 35 LEU C C 112 177.205 177.205 177.821 -0.616 18323 3634 1 10 . 1 1 35 35 LEU CA C 112 55.246 55.246 56.474 -1.228 18323 3635 1 10 . 1 1 35 35 LEU CB C 112 42.354 42.354 42.475 -0.121 18323 3636 1 10 . 1 1 35 35 LEU H H 112 7.815 7.815 8.118 -0.303 18323 3637 1 10 . 1 1 36 36 GLY N N 113 107.203 107.203 104.907 2.296 18323 3638 1 10 . 1 1 36 36 GLY C C 113 174.354 174.354 173.693 0.661 18323 3639 1 10 . 1 1 36 36 GLY CA C 113 45.284 45.284 44.458 0.827 18323 3640 1 10 . 1 1 36 36 GLY H H 113 7.853 7.853 7.574 0.279 18323 3641 1 10 . 1 1 37 37 GLU N N 114 120.199 120.199 121.746 -1.547 18323 3642 1 10 . 1 1 37 37 GLU HA H 114 4.435 4.435 4.557 -0.122 18323 3643 1 10 . 1 1 37 37 GLU C C 114 175.359 175.359 174.960 0.399 18323 3644 1 10 . 1 1 37 37 GLU CA C 114 54.660 54.660 53.951 0.709 18323 3645 1 10 . 1 1 37 37 GLU CB C 114 30.634 30.634 31.528 -0.894 18323 3646 1 10 . 1 1 37 37 GLU H H 114 7.909 7.909 8.475 -0.566 18323 3647 1 10 . 1 1 38 38 LYS N N 115 124.425 124.425 127.504 -3.079 18323 3648 1 10 . 1 1 38 38 LYS HA H 115 4.372 4.372 4.239 0.133 18323 3649 1 10 . 1 1 38 38 LYS C C 115 175.464 175.464 176.315 -0.851 18323 3650 1 10 . 1 1 38 38 LYS CA C 115 55.246 55.246 55.781 -0.535 18323 3651 1 10 . 1 1 38 38 LYS CB C 115 31.806 31.806 31.945 -0.139 18323 3652 1 10 . 1 1 38 38 LYS H H 115 8.642 8.642 8.677 -0.035 18323 3653 1 10 . 1 1 39 39 LEU N N 116 125.258 125.258 126.425 -1.167 18323 3654 1 10 . 1 1 39 39 LEU HA H 116 4.742 4.742 4.358 0.384 18323 3655 1 10 . 1 1 39 39 LEU C C 116 178.351 178.351 176.407 1.944 18323 3656 1 10 . 1 1 39 39 LEU CA C 116 54.074 54.074 55.108 -1.034 18323 3657 1 10 . 1 1 39 39 LEU CB C 116 44.112 44.112 43.123 0.989 18323 3658 1 10 . 1 1 39 39 LEU H H 116 8.102 8.102 8.087 0.015 18323 3659 1 10 . 1 1 40 40 THR N N 117 114.811 114.811 109.489 5.322 18323 3660 1 10 . 1 1 40 40 THR HA H 117 4.744 4.744 4.497 0.247 18323 3661 1 10 . 1 1 40 40 THR C C 117 175.522 175.522 174.838 0.684 18323 3662 1 10 . 1 1 40 40 THR CA C 117 60.520 60.520 60.564 -0.044 18323 3663 1 10 . 1 1 40 40 THR CB C 117 71.068 71.068 71.394 -0.326 18323 3664 1 10 . 1 1 40 40 THR H H 117 9.297 9.297 8.318 0.979 18323 3665 1 10 . 1 1 41 41 ASP N N 118 121.232 121.232 125.658 -4.426 18323 3666 1 10 . 1 1 41 41 ASP C C 118 178.644 178.644 178.254 0.390 18323 3667 1 10 . 1 1 41 41 ASP CA C 118 57.590 57.590 57.797 -0.207 18323 3668 1 10 . 1 1 41 41 ASP CB C 118 39.424 39.424 40.481 -1.057 18323 3669 1 10 . 1 1 41 41 ASP H H 118 8.967 8.967 9.033 -0.066 18323 3670 1 10 . 1 1 42 42 GLU N N 119 119.357 119.357 118.306 1.051 18323 3671 1 10 . 1 1 42 42 GLU HA H 119 4.051 4.051 4.019 0.032 18323 3672 1 10 . 1 1 42 42 GLU C C 119 178.847 178.847 178.584 0.263 18323 3673 1 10 . 1 1 42 42 GLU CA C 119 59.934 59.934 59.381 0.553 18323 3674 1 10 . 1 1 42 42 GLU CB C 119 28.876 28.876 29.309 -0.433 18323 3675 1 10 . 1 1 42 42 GLU H H 119 8.679 8.679 8.724 -0.045 18323 3676 1 10 . 1 1 43 43 GLU N N 120 118.761 118.761 120.260 -1.499 18323 3677 1 10 . 1 1 43 43 GLU HA H 120 4.003 4.003 4.187 -0.184 18323 3678 1 10 . 1 1 43 43 GLU C C 120 179.996 179.996 178.878 1.118 18323 3679 1 10 . 1 1 43 43 GLU CA C 120 59.348 59.348 58.459 0.888 18323 3680 1 10 . 1 1 43 43 GLU CB C 120 30.048 30.048 29.689 0.359 18323 3681 1 10 . 1 1 43 43 GLU H H 120 7.998 7.998 7.505 0.493 18323 3682 1 10 . 1 1 44 44 VAL N N 121 121.165 121.165 121.305 -0.140 18323 3683 1 10 . 1 1 44 44 VAL HA H 121 3.439 3.439 3.561 -0.122 18323 3684 1 10 . 1 1 44 44 VAL C C 121 177.489 177.489 177.751 -0.262 18323 3685 1 10 . 1 1 44 44 VAL CA C 121 66.966 66.966 67.337 -0.371 18323 3686 1 10 . 1 1 44 44 VAL CB C 121 31.220 31.220 31.731 -0.511 18323 3687 1 10 . 1 1 44 44 VAL H H 121 8.051 8.051 8.676 -0.625 18323 3688 1 10 . 1 1 45 45 ASP N N 122 119.507 119.507 117.952 1.555 18323 3689 1 10 . 1 1 45 45 ASP HA H 122 4.338 4.338 4.293 0.045 18323 3690 1 10 . 1 1 45 45 ASP C C 122 179.226 179.226 178.836 0.390 18323 3691 1 10 . 1 1 45 45 ASP CA C 122 57.590 57.590 57.484 0.106 18323 3692 1 10 . 1 1 45 45 ASP CB C 122 40.596 40.596 40.554 0.042 18323 3693 1 10 . 1 1 45 45 ASP H H 122 8.092 8.092 8.231 -0.139 18323 3694 1 10 . 1 1 46 46 GLU N N 123 119.871 119.871 118.870 1.001 18323 3695 1 10 . 1 1 46 46 GLU HA H 123 4.033 4.033 4.142 -0.109 18323 3696 1 10 . 1 1 46 46 GLU C C 123 178.612 178.612 178.826 -0.214 18323 3697 1 10 . 1 1 46 46 GLU CA C 123 59.348 59.348 58.224 1.125 18323 3698 1 10 . 1 1 46 46 GLU CB C 123 29.462 29.462 29.385 0.077 18323 3699 1 10 . 1 1 46 46 GLU H H 123 8.131 8.131 7.550 0.581 18323 3700 1 10 . 1 1 47 47 MET N N 124 119.395 119.395 122.021 -2.626 18323 3701 1 10 . 1 1 47 47 MET CA C 124 60.520 60.520 58.972 1.548 18323 3702 1 10 . 1 1 47 47 MET CB C 124 32.978 32.978 32.301 0.677 18323 3703 1 10 . 1 1 47 47 MET H H 124 7.781 7.781 8.644 -0.863 18323 3704 1 10 . 1 1 48 48 ILE HA H 125 4.234 4.234 3.682 0.552 18323 3705 1 10 . 1 1 48 48 ILE C C 125 177.530 177.530 178.077 -0.547 18323 3706 1 10 . 1 1 48 48 ILE CA C 125 63.450 63.450 65.394 -1.944 18323 3707 1 10 . 1 1 48 48 ILE CB C 125 35.908 35.908 37.529 -1.621 18323 3708 1 10 . 1 1 49 49 ARG N N 126 118.403 118.403 119.488 -1.085 18323 3709 1 10 . 1 1 49 49 ARG HA H 126 4.105 4.105 3.992 0.113 18323 3710 1 10 . 1 1 49 49 ARG C C 126 178.928 178.928 178.108 0.820 18323 3711 1 10 . 1 1 49 49 ARG CA C 126 59.934 59.934 58.831 1.103 18323 3712 1 10 . 1 1 49 49 ARG CB C 126 30.414 30.414 29.663 0.751 18323 3713 1 10 . 1 1 49 49 ARG H H 126 8.555 8.555 7.569 0.986 18323 3714 1 10 . 1 1 50 50 GLU N N 127 116.347 116.347 116.973 -0.626 18323 3715 1 10 . 1 1 50 50 GLU HA H 127 4.039 4.039 4.262 -0.223 18323 3716 1 10 . 1 1 50 50 GLU C C 127 176.941 176.941 177.956 -1.015 18323 3717 1 10 . 1 1 50 50 GLU CA C 127 58.762 58.762 57.849 0.914 18323 3718 1 10 . 1 1 50 50 GLU CB C 127 30.048 30.048 30.119 -0.071 18323 3719 1 10 . 1 1 50 50 GLU H H 127 7.990 7.990 8.032 -0.042 18323 3720 1 10 . 1 1 51 51 ALA N N 128 117.251 117.251 121.586 -4.335 18323 3721 1 10 . 1 1 51 51 ALA HA H 128 4.456 4.456 4.136 0.320 18323 3722 1 10 . 1 1 51 51 ALA C C 128 177.757 177.757 177.998 -0.241 18323 3723 1 10 . 1 1 51 51 ALA CA C 128 51.730 51.730 53.827 -2.097 18323 3724 1 10 . 1 1 51 51 ALA CB C 128 21.844 21.844 19.218 2.626 18323 3725 1 10 . 1 1 51 51 ALA H H 128 7.126 7.126 8.185 -1.059 18323 3726 1 10 . 1 1 52 52 ASP N N 129 117.909 117.909 117.848 0.061 18323 3727 1 10 . 1 1 52 52 ASP HA H 129 4.502 4.502 4.436 0.066 18323 3728 1 10 . 1 1 52 52 ASP C C 129 175.854 175.854 176.498 -0.644 18323 3729 1 10 . 1 1 52 52 ASP CA C 129 54.074 54.074 55.432 -1.358 18323 3730 1 10 . 1 1 52 52 ASP CB C 129 40.596 40.596 41.527 -0.931 18323 3731 1 10 . 1 1 52 52 ASP H H 129 7.962 7.962 8.274 -0.312 18323 3732 1 10 . 1 1 53 53 ILE N N 130 127.900 127.900 123.635 4.265 18323 3733 1 10 . 1 1 53 53 ILE C C 130 177.995 177.995 177.020 0.975 18323 3734 1 10 . 1 1 53 53 ILE CA C 130 63.450 63.450 61.270 2.180 18323 3735 1 10 . 1 1 53 53 ILE CB C 130 38.838 38.838 38.038 0.800 18323 3736 1 10 . 1 1 53 53 ILE H H 130 8.261 8.261 8.188 0.073 18323 3737 1 10 . 1 1 54 54 ASP N N 131 116.678 116.678 117.295 -0.617 18323 3738 1 10 . 1 1 54 54 ASP HA H 131 4.541 4.541 4.808 -0.267 18323 3739 1 10 . 1 1 54 54 ASP C C 131 178.283 178.283 176.925 1.358 18323 3740 1 10 . 1 1 54 54 ASP CA C 131 54.074 54.074 54.133 -0.059 18323 3741 1 10 . 1 1 54 54 ASP CB C 131 40.010 40.010 41.567 -1.557 18323 3742 1 10 . 1 1 54 54 ASP H H 131 8.372 8.372 8.696 -0.324 18323 3743 1 10 . 1 1 55 55 GLY N N 132 108.866 108.866 109.601 -0.735 18323 3744 1 10 . 1 1 55 55 GLY C C 132 175.365 175.365 174.584 0.781 18323 3745 1 10 . 1 1 55 55 GLY CA C 132 47.628 47.628 46.075 1.553 18323 3746 1 10 . 1 1 55 55 GLY H H 132 7.679 7.679 8.658 -0.979 18323 3747 1 10 . 1 1 56 56 ASP N N 133 120.968 120.968 118.857 2.111 18323 3748 1 10 . 1 1 56 56 ASP HA H 133 4.493 4.493 4.582 -0.089 18323 3749 1 10 . 1 1 56 56 ASP C C 133 177.582 177.582 177.690 -0.108 18323 3750 1 10 . 1 1 56 56 ASP CA C 133 53.488 53.488 52.345 1.143 18323 3751 1 10 . 1 1 56 56 ASP CB C 133 40.010 40.010 40.513 -0.503 18323 3752 1 10 . 1 1 56 56 ASP H H 133 8.415 8.415 8.083 0.332 18323 3753 1 10 . 1 1 57 57 GLY N N 134 112.821 112.821 108.113 4.708 18323 3754 1 10 . 1 1 57 57 GLY C C 134 172.847 172.847 173.671 -0.824 18323 3755 1 10 . 1 1 57 57 GLY CA C 134 45.870 45.870 46.183 -0.313 18323 3756 1 10 . 1 1 57 57 GLY H H 134 10.300 10.300 8.681 1.619 18323 3757 1 10 . 1 1 58 58 GLN N N 135 115.391 115.391 118.452 -3.061 18323 3758 1 10 . 1 1 58 58 GLN HA H 135 5.003 5.003 4.731 0.272 18323 3759 1 10 . 1 1 58 58 GLN C C 135 175.019 175.019 174.938 0.081 18323 3760 1 10 . 1 1 58 58 GLN CA C 135 52.902 52.902 53.669 -0.767 18323 3761 1 10 . 1 1 58 58 GLN CB C 135 32.978 32.978 30.339 2.639 18323 3762 1 10 . 1 1 58 58 GLN H H 135 8.022 8.022 7.509 0.513 18323 3763 1 10 . 1 1 59 59 VAL N N 136 125.596 125.596 124.713 0.883 18323 3764 1 10 . 1 1 59 59 VAL HA H 136 5.134 5.134 4.251 0.883 18323 3765 1 10 . 1 1 59 59 VAL C C 136 175.912 175.912 175.931 -0.019 18323 3766 1 10 . 1 1 59 59 VAL CA C 136 61.613 61.613 60.906 0.707 18323 3767 1 10 . 1 1 59 59 VAL CB C 136 33.694 33.694 32.260 1.434 18323 3768 1 10 . 1 1 59 59 VAL H H 136 9.176 9.176 7.963 1.213 18323 3769 1 10 . 1 1 60 60 ASN N N 137 129.229 129.229 125.207 4.022 18323 3770 1 10 . 1 1 60 60 ASN HA H 137 5.371 5.371 4.375 0.996 18323 3771 1 10 . 1 1 60 60 ASN C C 137 174.805 174.805 176.271 -1.466 18323 3772 1 10 . 1 1 60 60 ASN CA C 137 51.144 51.144 53.540 -2.396 18323 3773 1 10 . 1 1 60 60 ASN CB C 137 38.252 38.252 39.456 -1.204 18323 3774 1 10 . 1 1 60 60 ASN H H 137 9.576 9.576 8.233 1.343 18323 3775 1 10 . 1 1 61 61 TYR N N 138 118.597 118.597 118.008 0.589 18323 3776 1 10 . 1 1 61 61 TYR C C 138 176.119 176.119 178.009 -1.890 18323 3777 1 10 . 1 1 61 61 TYR CA C 138 62.278 62.278 61.292 0.986 18323 3778 1 10 . 1 1 61 61 TYR CB C 138 37.666 37.666 38.434 -0.767 18323 3779 1 10 . 1 1 61 61 TYR H H 138 8.268 8.268 8.603 -0.335 18323 3780 1 10 . 1 1 62 62 GLU N N 139 118.441 118.441 119.031 -0.590 18323 3781 1 10 . 1 1 62 62 GLU HA H 139 4.123 4.123 4.106 0.017 18323 3782 1 10 . 1 1 62 62 GLU C C 139 179.189 179.189 178.728 0.461 18323 3783 1 10 . 1 1 62 62 GLU CA C 139 59.934 59.934 59.821 0.113 18323 3784 1 10 . 1 1 62 62 GLU CB C 139 28.876 28.876 29.434 -0.558 18323 3785 1 10 . 1 1 62 62 GLU H H 139 8.087 8.087 8.202 -0.115 18323 3786 1 10 . 1 1 63 63 GLU N N 140 120.992 120.992 118.198 2.794 18323 3787 1 10 . 1 1 63 63 GLU HA H 140 3.914 3.914 4.032 -0.118 18323 3788 1 10 . 1 1 63 63 GLU C C 140 179.328 179.328 178.644 0.684 18323 3789 1 10 . 1 1 63 63 GLU CA C 140 58.762 58.762 59.090 -0.328 18323 3790 1 10 . 1 1 63 63 GLU CB C 140 29.462 29.462 29.472 -0.010 18323 3791 1 10 . 1 1 63 63 GLU H H 140 7.761 7.761 8.814 -1.053 18323 3792 1 10 . 1 1 64 64 PHE N N 141 123.798 123.798 119.047 4.751 18323 3793 1 10 . 1 1 64 64 PHE C C 141 176.843 176.843 176.733 0.110 18323 3794 1 10 . 1 1 64 64 PHE CA C 141 61.692 61.692 60.414 1.278 18323 3795 1 10 . 1 1 64 64 PHE CB C 141 39.917 39.917 40.082 -0.165 18323 3796 1 10 . 1 1 64 64 PHE H H 141 8.529 8.529 7.578 0.951 18323 3797 1 10 . 1 1 65 65 VAL N N 142 119.218 119.218 118.939 0.279 18323 3798 1 10 . 1 1 65 65 VAL C C 142 179.497 179.497 177.084 2.413 18323 3799 1 10 . 1 1 65 65 VAL CA C 142 66.966 66.966 64.989 1.977 18323 3800 1 10 . 1 1 65 65 VAL CB C 142 31.220 31.220 31.451 -0.231 18323 3801 1 10 . 1 1 65 65 VAL H H 142 8.672 8.672 8.789 -0.117 18323 3802 1 10 . 1 1 66 66 GLN N N 143 118.362 118.362 118.627 -0.265 18323 3803 1 10 . 1 1 66 66 GLN HA H 143 3.845 3.845 4.081 -0.236 18323 3804 1 10 . 1 1 66 66 GLN C C 143 177.881 177.881 177.146 0.735 18323 3805 1 10 . 1 1 66 66 GLN CA C 143 58.762 58.762 57.958 0.804 18323 3806 1 10 . 1 1 66 66 GLN CB C 143 27.704 27.704 28.814 -1.110 18323 3807 1 10 . 1 1 66 66 GLN H H 143 7.550 7.550 7.949 -0.399 18323 3808 1 10 . 1 1 67 67 MET N N 144 116.720 116.720 115.761 0.959 18323 3809 1 10 . 1 1 67 67 MET C C 144 177.803 177.803 176.951 0.852 18323 3810 1 10 . 1 1 67 67 MET CA C 144 56.418 56.418 57.044 -0.626 18323 3811 1 10 . 1 1 67 67 MET CB C 144 31.806 31.806 32.648 -0.842 18323 3812 1 10 . 1 1 67 67 MET H H 144 7.300 7.300 7.479 -0.179 18323 3813 1 10 . 1 1 68 68 MET N N 145 116.116 116.116 117.731 -1.615 18323 3814 1 10 . 1 1 68 68 MET HA H 145 4.115 4.115 4.306 -0.191 18323 3815 1 10 . 1 1 68 68 MET C C 145 177.203 177.203 176.031 1.172 18323 3816 1 10 . 1 1 68 68 MET CA C 145 56.418 56.418 56.049 0.369 18323 3817 1 10 . 1 1 68 68 MET CB C 145 31.806 31.806 33.287 -1.481 18323 3818 1 10 . 1 1 68 68 MET H H 145 7.732 7.732 7.107 0.625 18323 3819 1 10 . 1 1 69 69 THR N N 146 108.868 108.868 115.838 -6.970 18323 3820 1 10 . 1 1 69 69 THR HA H 146 4.288 4.288 4.400 -0.112 18323 3821 1 10 . 1 1 69 69 THR C C 146 174.154 174.154 174.028 0.126 18323 3822 1 10 . 1 1 69 69 THR CA C 146 61.692 61.692 60.861 0.831 18323 3823 1 10 . 1 1 69 69 THR CB C 146 69.896 69.896 68.545 1.351 18323 3824 1 10 . 1 1 69 69 THR H H 146 7.649 7.649 8.271 -0.622 18323 3825 1 10 . 1 1 70 70 ALA N N 147 126.934 126.934 124.754 2.180 18323 3826 1 10 . 1 1 70 70 ALA HA H 147 4.287 4.287 4.273 0.014 18323 3827 1 10 . 1 1 70 70 ALA C C 147 176.686 176.686 176.599 0.087 18323 3828 1 10 . 1 1 70 70 ALA CA C 147 52.902 52.902 52.615 0.287 18323 3829 1 10 . 1 1 70 70 ALA CB C 147 18.914 18.914 19.399 -0.485 18323 3830 1 10 . 1 1 70 70 ALA H H 147 7.546 7.546 7.928 -0.382 18323 3831 1 11 . 1 1 2 2 THR N N 79 114.287 114.287 113.589 0.698 18323 3832 1 11 . 1 1 2 2 THR HA H 79 4.281 4.281 4.242 0.039 18323 3833 1 11 . 1 1 2 2 THR C C 79 174.598 174.598 175.087 -0.489 18323 3834 1 11 . 1 1 2 2 THR CA C 79 62.278 62.278 63.425 -1.147 18323 3835 1 11 . 1 1 2 2 THR CB C 79 69.310 69.310 69.130 0.180 18323 3836 1 11 . 1 1 2 2 THR H H 79 8.299 8.299 8.138 0.161 18323 3837 1 11 . 1 1 3 3 ASP N N 80 122.311 122.311 119.549 2.762 18323 3838 1 11 . 1 1 3 3 ASP C C 80 176.788 176.788 176.454 0.334 18323 3839 1 11 . 1 1 3 3 ASP CA C 80 54.660 54.660 54.464 0.196 18323 3840 1 11 . 1 1 3 3 ASP CB C 80 41.182 41.182 41.169 0.013 18323 3841 1 11 . 1 1 3 3 ASP H H 80 8.447 8.447 8.499 -0.052 18323 3842 1 11 . 1 1 4 4 SER N N 81 116.934 116.934 114.053 2.881 18323 3843 1 11 . 1 1 4 4 SER HA H 81 4.022 4.022 3.910 0.112 18323 3844 1 11 . 1 1 4 4 SER C C 81 175.337 175.337 175.719 -0.382 18323 3845 1 11 . 1 1 4 4 SER CA C 81 58.762 58.762 60.517 -1.755 18323 3846 1 11 . 1 1 4 4 SER CB C 81 64.036 64.036 61.892 2.144 18323 3847 1 11 . 1 1 4 4 SER H H 81 8.351 8.351 8.299 0.052 18323 3848 1 11 . 1 1 5 5 GLU N N 82 123.423 123.423 121.045 2.378 18323 3849 1 11 . 1 1 5 5 GLU HA H 82 4.112 4.112 3.932 0.180 18323 3850 1 11 . 1 1 5 5 GLU C C 82 178.067 178.067 178.103 -0.036 18323 3851 1 11 . 1 1 5 5 GLU CA C 82 59.348 59.348 59.692 -0.344 18323 3852 1 11 . 1 1 5 5 GLU CB C 82 46.749 46.749 29.570 17.179 18323 3853 1 11 . 1 1 5 5 GLU H H 82 8.588 8.588 8.491 0.097 18323 3854 1 11 . 1 1 6 6 GLU N N 83 118.987 118.987 118.000 0.987 18323 3855 1 11 . 1 1 6 6 GLU CA C 83 59.348 59.348 59.404 -0.056 18323 3856 1 11 . 1 1 6 6 GLU CB C 83 29.462 29.462 29.093 0.369 18323 3857 1 11 . 1 1 6 6 GLU H H 83 8.412 8.412 8.661 -0.249 18323 3858 1 11 . 1 1 7 7 GLU HA H 84 4.116 4.116 4.029 0.087 18323 3859 1 11 . 1 1 7 7 GLU C C 84 178.969 178.969 179.400 -0.431 18323 3860 1 11 . 1 1 7 7 GLU CA C 84 59.348 59.348 59.151 0.197 18323 3861 1 11 . 1 1 7 7 GLU CB C 84 29.462 29.462 29.394 0.068 18323 3862 1 11 . 1 1 8 8 ILE N N 85 121.839 121.839 119.580 2.259 18323 3863 1 11 . 1 1 8 8 ILE HA H 85 3.917 3.917 3.472 0.445 18323 3864 1 11 . 1 1 8 8 ILE C C 85 178.283 178.283 178.158 0.125 18323 3865 1 11 . 1 1 8 8 ILE CA C 85 65.208 65.208 65.069 0.139 18323 3866 1 11 . 1 1 8 8 ILE CB C 85 37.080 37.080 37.581 -0.501 18323 3867 1 11 . 1 1 8 8 ILE H H 85 8.001 8.001 7.646 0.355 18323 3868 1 11 . 1 1 9 9 ARG N N 86 121.328 121.328 119.794 1.534 18323 3869 1 11 . 1 1 9 9 ARG HA H 86 4.260 4.260 4.122 0.138 18323 3870 1 11 . 1 1 9 9 ARG C C 86 179.291 179.291 178.726 0.565 18323 3871 1 11 . 1 1 9 9 ARG CA C 86 59.934 59.934 59.231 0.703 18323 3872 1 11 . 1 1 9 9 ARG CB C 86 29.462 29.462 29.515 -0.053 18323 3873 1 11 . 1 1 9 9 ARG H H 86 8.544 8.544 8.162 0.382 18323 3874 1 11 . 1 1 10 10 GLU N N 87 118.332 118.332 117.320 1.012 18323 3875 1 11 . 1 1 10 10 GLU HA H 87 4.116 4.116 4.233 -0.117 18323 3876 1 11 . 1 1 10 10 GLU C C 87 179.498 179.498 178.166 1.332 18323 3877 1 11 . 1 1 10 10 GLU CA C 87 59.348 59.348 57.993 1.355 18323 3878 1 11 . 1 1 10 10 GLU CB C 87 29.462 29.462 29.161 0.301 18323 3879 1 11 . 1 1 10 10 GLU H H 87 8.225 8.225 7.796 0.429 18323 3880 1 11 . 1 1 11 11 ALA N N 88 121.839 121.839 122.936 -1.097 18323 3881 1 11 . 1 1 11 11 ALA HA H 88 4.243 4.243 4.244 -0.001 18323 3882 1 11 . 1 1 11 11 ALA C C 88 176.715 176.715 179.606 -2.891 18323 3883 1 11 . 1 1 11 11 ALA CA C 88 55.246 55.246 54.907 0.338 18323 3884 1 11 . 1 1 11 11 ALA CB C 88 18.136 18.136 18.304 -0.168 18323 3885 1 11 . 1 1 11 11 ALA H H 88 8.001 8.001 8.011 -0.010 18323 3886 1 11 . 1 1 12 12 PHE N N 89 118.794 118.794 117.883 0.911 18323 3887 1 11 . 1 1 12 12 PHE HA H 89 4.934 4.934 4.287 0.647 18323 3888 1 11 . 1 1 12 12 PHE C C 89 177.370 177.370 178.356 -0.986 18323 3889 1 11 . 1 1 12 12 PHE CA C 89 62.278 62.278 61.250 1.028 18323 3890 1 11 . 1 1 12 12 PHE CB C 89 39.424 39.424 38.052 1.372 18323 3891 1 11 . 1 1 12 12 PHE H H 89 8.630 8.630 7.088 1.542 18323 3892 1 11 . 1 1 13 13 ARG N N 90 115.837 115.837 117.783 -1.946 18323 3893 1 11 . 1 1 13 13 ARG HA H 90 3.862 3.862 4.137 -0.275 18323 3894 1 11 . 1 1 13 13 ARG C C 90 177.590 177.590 178.360 -0.770 18323 3895 1 11 . 1 1 13 13 ARG CA C 90 58.762 58.762 57.932 0.830 18323 3896 1 11 . 1 1 13 13 ARG CB C 90 30.048 30.048 29.310 0.738 18323 3897 1 11 . 1 1 13 13 ARG H H 90 7.891 7.891 7.670 0.221 18323 3898 1 11 . 1 1 14 14 VAL N N 91 118.382 118.382 119.110 -0.728 18323 3899 1 11 . 1 1 14 14 VAL C C 91 176.343 176.343 177.804 -1.461 18323 3900 1 11 . 1 1 14 14 VAL CA C 91 65.794 65.794 65.813 -0.019 18323 3901 1 11 . 1 1 14 14 VAL CB C 91 31.220 31.220 31.626 -0.406 18323 3902 1 11 . 1 1 14 14 VAL H H 91 7.407 7.407 7.911 -0.504 18323 3903 1 11 . 1 1 15 15 PHE N N 92 114.257 114.257 116.381 -2.124 18323 3904 1 11 . 1 1 15 15 PHE HA H 92 4.661 4.661 4.265 0.396 18323 3905 1 11 . 1 1 15 15 PHE C C 92 176.378 176.378 177.712 -1.334 18323 3906 1 11 . 1 1 15 15 PHE CA C 92 59.934 59.934 60.679 -0.745 18323 3907 1 11 . 1 1 15 15 PHE CB C 92 41.182 41.182 38.967 2.215 18323 3908 1 11 . 1 1 15 15 PHE H H 92 6.892 6.892 7.745 -0.853 18323 3909 1 11 . 1 1 16 16 ASP N N 93 116.288 116.288 119.689 -3.401 18323 3910 1 11 . 1 1 16 16 ASP HA H 93 4.617 4.617 4.856 -0.239 18323 3911 1 11 . 1 1 16 16 ASP C C 93 177.695 177.695 177.373 0.322 18323 3912 1 11 . 1 1 16 16 ASP CA C 93 51.730 51.730 53.332 -1.602 18323 3913 1 11 . 1 1 16 16 ASP CB C 93 38.838 38.838 38.897 -0.059 18323 3914 1 11 . 1 1 16 16 ASP H H 93 7.847 7.847 8.700 -0.853 18323 3915 1 11 . 1 1 17 17 LYS N N 94 125.440 125.440 120.015 5.425 18323 3916 1 11 . 1 1 17 17 LYS HA H 94 3.889 3.889 3.966 -0.077 18323 3917 1 11 . 1 1 17 17 LYS C C 94 178.290 178.290 177.643 0.647 18323 3918 1 11 . 1 1 17 17 LYS CA C 94 58.762 58.762 59.175 -0.413 18323 3919 1 11 . 1 1 17 17 LYS CB C 94 32.392 32.392 32.338 0.054 18323 3920 1 11 . 1 1 17 17 LYS H H 94 7.662 7.662 8.526 -0.864 18323 3921 1 11 . 1 1 18 18 ASP N N 95 114.292 114.292 116.856 -2.564 18323 3922 1 11 . 1 1 18 18 ASP HA H 95 4.567 4.567 4.590 -0.023 18323 3923 1 11 . 1 1 18 18 ASP C C 95 177.826 177.826 176.524 1.302 18323 3924 1 11 . 1 1 18 18 ASP CA C 95 52.902 52.902 53.055 -0.153 18323 3925 1 11 . 1 1 18 18 ASP CB C 95 39.424 39.424 39.947 -0.523 18323 3926 1 11 . 1 1 18 18 ASP H H 95 8.336 8.336 8.116 0.220 18323 3927 1 11 . 1 1 19 19 GLY N N 96 109.374 109.374 107.392 1.982 18323 3928 1 11 . 1 1 19 19 GLY C C 96 175.145 175.145 175.329 -0.184 18323 3929 1 11 . 1 1 19 19 GLY CA C 96 47.042 47.042 46.179 0.862 18323 3930 1 11 . 1 1 19 19 GLY H H 96 7.797 7.797 8.015 -0.218 18323 3931 1 11 . 1 1 20 20 ASN N N 97 119.964 119.964 117.853 2.111 18323 3932 1 11 . 1 1 20 20 ASN HA H 97 4.670 4.670 4.608 0.062 18323 3933 1 11 . 1 1 20 20 ASN C C 97 176.120 176.120 176.651 -0.531 18323 3934 1 11 . 1 1 20 20 ASN CA C 97 52.316 52.316 52.791 -0.475 18323 3935 1 11 . 1 1 20 20 ASN CB C 97 38.252 38.252 39.233 -0.981 18323 3936 1 11 . 1 1 20 20 ASN H H 97 8.430 8.430 8.653 -0.223 18323 3937 1 11 . 1 1 21 21 GLY N N 98 112.726 112.726 107.197 5.529 18323 3938 1 11 . 1 1 21 21 GLY C C 98 172.751 172.751 172.782 -0.031 18323 3939 1 11 . 1 1 21 21 GLY CA C 98 44.698 44.698 45.114 -0.416 18323 3940 1 11 . 1 1 21 21 GLY H H 98 10.638 10.638 9.024 1.614 18323 3941 1 11 . 1 1 22 22 TYR N N 99 116.415 116.415 116.025 0.390 18323 3942 1 11 . 1 1 22 22 TYR C C 99 174.795 174.795 173.372 1.423 18323 3943 1 11 . 1 1 22 22 TYR CA C 99 56.418 56.418 57.195 -0.777 18323 3944 1 11 . 1 1 22 22 TYR CB C 99 42.940 42.940 42.072 0.869 18323 3945 1 11 . 1 1 22 22 TYR H H 99 7.708 7.708 7.317 0.391 18323 3946 1 11 . 1 1 23 23 ILE N N 100 127.488 127.488 120.097 7.391 18323 3947 1 11 . 1 1 23 23 ILE C C 100 175.543 175.543 175.214 0.329 18323 3948 1 11 . 1 1 23 23 ILE CA C 100 61.106 61.106 59.200 1.906 18323 3949 1 11 . 1 1 23 23 ILE CB C 100 39.424 39.424 38.136 1.288 18323 3950 1 11 . 1 1 23 23 ILE H H 100 10.197 10.197 8.707 1.490 18323 3951 1 11 . 1 1 24 24 SER N N 101 123.860 123.860 122.063 1.797 18323 3952 1 11 . 1 1 24 24 SER HA H 101 4.973 4.973 4.857 0.116 18323 3953 1 11 . 1 1 24 24 SER C C 101 175.300 175.300 175.561 -0.261 18323 3954 1 11 . 1 1 24 24 SER CA C 101 55.832 55.832 55.904 -0.072 18323 3955 1 11 . 1 1 24 24 SER CB C 101 66.966 66.966 65.480 1.486 18323 3956 1 11 . 1 1 24 24 SER H H 101 8.998 8.998 8.900 0.098 18323 3957 1 11 . 1 1 25 25 ALA N N 102 123.328 123.328 126.683 -3.355 18323 3958 1 11 . 1 1 25 25 ALA HA H 102 3.938 3.938 4.117 -0.179 18323 3959 1 11 . 1 1 25 25 ALA C C 102 179.324 179.324 178.968 0.356 18323 3960 1 11 . 1 1 25 25 ALA CA C 102 55.832 55.832 55.029 0.803 18323 3961 1 11 . 1 1 25 25 ALA CB C 102 17.742 17.742 18.644 -0.902 18323 3962 1 11 . 1 1 25 25 ALA H H 102 9.377 9.377 9.023 0.354 18323 3963 1 11 . 1 1 26 26 ALA N N 103 118.536 118.536 120.262 -1.726 18323 3964 1 11 . 1 1 26 26 ALA HA H 103 4.054 4.054 3.880 0.174 18323 3965 1 11 . 1 1 26 26 ALA C C 103 181.535 181.535 179.359 2.176 18323 3966 1 11 . 1 1 26 26 ALA CA C 103 55.246 55.246 55.018 0.228 18323 3967 1 11 . 1 1 26 26 ALA CB C 103 18.328 18.328 18.426 -0.098 18323 3968 1 11 . 1 1 26 26 ALA H H 103 8.317 8.317 7.777 0.540 18323 3969 1 11 . 1 1 27 27 GLU N N 104 120.419 120.419 118.572 1.847 18323 3970 1 11 . 1 1 27 27 GLU HA H 104 4.033 4.033 4.199 -0.166 18323 3971 1 11 . 1 1 27 27 GLU C C 104 178.950 178.950 178.999 -0.049 18323 3972 1 11 . 1 1 27 27 GLU CA C 104 59.348 59.348 59.447 -0.099 18323 3973 1 11 . 1 1 27 27 GLU CB C 104 28.876 28.876 29.348 -0.472 18323 3974 1 11 . 1 1 27 27 GLU H H 104 7.977 7.977 7.980 -0.003 18323 3975 1 11 . 1 1 28 28 LEU N N 105 120.658 120.658 118.953 1.705 18323 3976 1 11 . 1 1 28 28 LEU HA H 105 4.178 4.178 4.326 -0.148 18323 3977 1 11 . 1 1 28 28 LEU C C 105 178.402 178.402 179.150 -0.748 18323 3978 1 11 . 1 1 28 28 LEU CA C 105 58.176 58.176 58.029 0.147 18323 3979 1 11 . 1 1 28 28 LEU CB C 105 41.768 41.768 41.366 0.402 18323 3980 1 11 . 1 1 28 28 LEU H H 105 8.500 8.500 7.406 1.094 18323 3981 1 11 . 1 1 29 29 ARG N N 106 117.807 117.807 117.799 0.008 18323 3982 1 11 . 1 1 29 29 ARG HA H 106 4.042 4.042 3.979 0.063 18323 3983 1 11 . 1 1 29 29 ARG C C 106 177.506 177.506 178.581 -1.075 18323 3984 1 11 . 1 1 29 29 ARG CA C 106 59.934 59.934 59.212 0.722 18323 3985 1 11 . 1 1 29 29 ARG CB C 106 30.634 30.634 29.310 1.324 18323 3986 1 11 . 1 1 29 29 ARG H H 106 8.727 8.727 7.463 1.264 18323 3987 1 11 . 1 1 30 30 HIS N N 107 119.849 119.849 119.690 0.159 18323 3988 1 11 . 1 1 30 30 HIS C C 107 177.862 177.862 177.966 -0.104 18323 3989 1 11 . 1 1 30 30 HIS CA C 107 59.934 59.934 59.419 0.515 18323 3990 1 11 . 1 1 30 30 HIS CB C 107 30.634 30.634 29.773 0.861 18323 3991 1 11 . 1 1 30 30 HIS H H 107 8.030 8.030 7.577 0.453 18323 3992 1 11 . 1 1 31 31 VAL N N 108 119.784 119.784 118.405 1.379 18323 3993 1 11 . 1 1 31 31 VAL C C 108 178.437 178.437 178.307 0.130 18323 3994 1 11 . 1 1 31 31 VAL CA C 108 66.966 66.966 66.703 0.263 18323 3995 1 11 . 1 1 31 31 VAL CB C 108 31.806 31.806 31.163 0.643 18323 3996 1 11 . 1 1 31 31 VAL H H 108 8.322 8.322 8.505 -0.183 18323 3997 1 11 . 1 1 32 32 MET N N 109 115.699 115.699 119.746 -4.047 18323 3998 1 11 . 1 1 32 32 MET HA H 109 4.343 4.343 4.134 0.209 18323 3999 1 11 . 1 1 32 32 MET C C 109 179.296 179.296 178.983 0.313 18323 4000 1 11 . 1 1 32 32 MET CA C 109 57.004 57.004 58.325 -1.321 18323 4001 1 11 . 1 1 32 32 MET CB C 109 29.462 29.462 31.253 -1.791 18323 4002 1 11 . 1 1 32 32 MET H H 109 8.397 8.397 8.441 -0.044 18323 4003 1 11 . 1 1 33 33 THR N N 110 116.362 116.362 116.016 0.346 18323 4004 1 11 . 1 1 33 33 THR C C 110 178.290 178.290 176.479 1.811 18323 4005 1 11 . 1 1 33 33 THR CA C 110 66.380 66.380 66.537 -0.157 18323 4006 1 11 . 1 1 33 33 THR CB C 110 68.724 68.724 68.743 -0.019 18323 4007 1 11 . 1 1 33 33 THR H H 110 8.296 8.296 8.518 -0.222 18323 4008 1 11 . 1 1 34 34 ASN N N 111 122.809 122.809 119.162 3.647 18323 4009 1 11 . 1 1 34 34 ASN HA H 111 4.619 4.619 4.518 0.101 18323 4010 1 11 . 1 1 34 34 ASN C C 111 176.698 176.698 177.501 -0.803 18323 4011 1 11 . 1 1 34 34 ASN CA C 111 55.832 55.832 55.535 0.298 18323 4012 1 11 . 1 1 34 34 ASN CB C 111 38.252 38.252 38.448 -0.196 18323 4013 1 11 . 1 1 34 34 ASN H H 111 7.936 7.936 8.430 -0.494 18323 4014 1 11 . 1 1 35 35 LEU N N 112 118.523 118.523 117.944 0.579 18323 4015 1 11 . 1 1 35 35 LEU HA H 112 4.322 4.322 4.109 0.213 18323 4016 1 11 . 1 1 35 35 LEU C C 112 177.205 177.205 177.702 -0.497 18323 4017 1 11 . 1 1 35 35 LEU CA C 112 55.246 55.246 56.358 -1.112 18323 4018 1 11 . 1 1 35 35 LEU CB C 112 42.354 42.354 42.429 -0.075 18323 4019 1 11 . 1 1 35 35 LEU H H 112 7.815 7.815 8.195 -0.380 18323 4020 1 11 . 1 1 36 36 GLY N N 113 107.203 107.203 104.774 2.429 18323 4021 1 11 . 1 1 36 36 GLY C C 113 174.354 174.354 173.474 0.880 18323 4022 1 11 . 1 1 36 36 GLY CA C 113 45.284 45.284 44.324 0.960 18323 4023 1 11 . 1 1 36 36 GLY H H 113 7.853 7.853 7.438 0.415 18323 4024 1 11 . 1 1 37 37 GLU N N 114 120.199 120.199 121.901 -1.702 18323 4025 1 11 . 1 1 37 37 GLU HA H 114 4.435 4.435 4.544 -0.109 18323 4026 1 11 . 1 1 37 37 GLU C C 114 175.359 175.359 175.540 -0.181 18323 4027 1 11 . 1 1 37 37 GLU CA C 114 54.660 54.660 54.149 0.511 18323 4028 1 11 . 1 1 37 37 GLU CB C 114 30.634 30.634 31.171 -0.536 18323 4029 1 11 . 1 1 37 37 GLU H H 114 7.909 7.909 8.325 -0.416 18323 4030 1 11 . 1 1 38 38 LYS N N 115 124.425 124.425 127.174 -2.749 18323 4031 1 11 . 1 1 38 38 LYS HA H 115 4.372 4.372 4.152 0.220 18323 4032 1 11 . 1 1 38 38 LYS C C 115 175.464 175.464 176.171 -0.707 18323 4033 1 11 . 1 1 38 38 LYS CA C 115 55.246 55.246 56.404 -1.158 18323 4034 1 11 . 1 1 38 38 LYS CB C 115 31.806 31.806 31.612 0.194 18323 4035 1 11 . 1 1 38 38 LYS H H 115 8.642 8.642 8.739 -0.097 18323 4036 1 11 . 1 1 39 39 LEU N N 116 125.258 125.258 124.876 0.382 18323 4037 1 11 . 1 1 39 39 LEU HA H 116 4.742 4.742 4.403 0.339 18323 4038 1 11 . 1 1 39 39 LEU C C 116 178.351 178.351 177.105 1.246 18323 4039 1 11 . 1 1 39 39 LEU CA C 116 54.074 54.074 54.801 -0.727 18323 4040 1 11 . 1 1 39 39 LEU CB C 116 44.112 44.112 42.783 1.329 18323 4041 1 11 . 1 1 39 39 LEU H H 116 8.102 8.102 7.919 0.183 18323 4042 1 11 . 1 1 40 40 THR N N 117 114.811 114.811 109.726 5.085 18323 4043 1 11 . 1 1 40 40 THR HA H 117 4.744 4.744 4.555 0.189 18323 4044 1 11 . 1 1 40 40 THR C C 117 175.522 175.522 175.112 0.410 18323 4045 1 11 . 1 1 40 40 THR CA C 117 60.520 60.520 60.394 0.126 18323 4046 1 11 . 1 1 40 40 THR CB C 117 71.068 71.068 71.683 -0.615 18323 4047 1 11 . 1 1 40 40 THR H H 117 9.297 9.297 8.389 0.908 18323 4048 1 11 . 1 1 41 41 ASP N N 118 121.232 121.232 125.654 -4.422 18323 4049 1 11 . 1 1 41 41 ASP C C 118 178.644 178.644 178.265 0.379 18323 4050 1 11 . 1 1 41 41 ASP CA C 118 57.590 57.590 57.720 -0.130 18323 4051 1 11 . 1 1 41 41 ASP CB C 118 39.424 39.424 40.389 -0.965 18323 4052 1 11 . 1 1 41 41 ASP H H 118 8.967 8.967 9.026 -0.059 18323 4053 1 11 . 1 1 42 42 GLU N N 119 119.357 119.357 118.264 1.093 18323 4054 1 11 . 1 1 42 42 GLU HA H 119 4.051 4.051 4.011 0.040 18323 4055 1 11 . 1 1 42 42 GLU C C 119 178.847 178.847 178.781 0.066 18323 4056 1 11 . 1 1 42 42 GLU CA C 119 59.934 59.934 59.318 0.616 18323 4057 1 11 . 1 1 42 42 GLU CB C 119 28.876 28.876 29.260 -0.384 18323 4058 1 11 . 1 1 42 42 GLU H H 119 8.679 8.679 8.786 -0.107 18323 4059 1 11 . 1 1 43 43 GLU N N 120 118.761 118.761 120.750 -1.989 18323 4060 1 11 . 1 1 43 43 GLU HA H 120 4.003 4.003 4.084 -0.081 18323 4061 1 11 . 1 1 43 43 GLU C C 120 179.996 179.996 178.831 1.165 18323 4062 1 11 . 1 1 43 43 GLU CA C 120 59.348 59.348 59.029 0.319 18323 4063 1 11 . 1 1 43 43 GLU CB C 120 30.048 30.048 29.986 0.062 18323 4064 1 11 . 1 1 43 43 GLU H H 120 7.998 7.998 7.517 0.481 18323 4065 1 11 . 1 1 44 44 VAL N N 121 121.165 121.165 120.892 0.273 18323 4066 1 11 . 1 1 44 44 VAL HA H 121 3.439 3.439 3.658 -0.219 18323 4067 1 11 . 1 1 44 44 VAL C C 121 177.489 177.489 177.904 -0.415 18323 4068 1 11 . 1 1 44 44 VAL CA C 121 66.966 66.966 67.504 -0.538 18323 4069 1 11 . 1 1 44 44 VAL CB C 121 31.220 31.220 31.231 -0.011 18323 4070 1 11 . 1 1 44 44 VAL H H 121 8.051 8.051 8.529 -0.478 18323 4071 1 11 . 1 1 45 45 ASP N N 122 119.507 119.507 118.784 0.723 18323 4072 1 11 . 1 1 45 45 ASP HA H 122 4.338 4.338 4.282 0.056 18323 4073 1 11 . 1 1 45 45 ASP C C 122 179.226 179.226 178.863 0.363 18323 4074 1 11 . 1 1 45 45 ASP CA C 122 57.590 57.590 57.576 0.014 18323 4075 1 11 . 1 1 45 45 ASP CB C 122 40.596 40.596 40.703 -0.107 18323 4076 1 11 . 1 1 45 45 ASP H H 122 8.092 8.092 8.327 -0.235 18323 4077 1 11 . 1 1 46 46 GLU N N 123 119.871 119.871 119.345 0.526 18323 4078 1 11 . 1 1 46 46 GLU HA H 123 4.033 4.033 4.096 -0.063 18323 4079 1 11 . 1 1 46 46 GLU C C 123 178.612 178.612 178.788 -0.176 18323 4080 1 11 . 1 1 46 46 GLU CA C 123 59.348 59.348 58.309 1.039 18323 4081 1 11 . 1 1 46 46 GLU CB C 123 29.462 29.462 29.702 -0.240 18323 4082 1 11 . 1 1 46 46 GLU H H 123 8.131 8.131 7.615 0.516 18323 4083 1 11 . 1 1 47 47 MET N N 124 119.395 119.395 121.203 -1.808 18323 4084 1 11 . 1 1 47 47 MET CA C 124 60.520 60.520 59.786 0.734 18323 4085 1 11 . 1 1 47 47 MET CB C 124 32.978 32.978 32.695 0.283 18323 4086 1 11 . 1 1 47 47 MET H H 124 7.781 7.781 8.411 -0.630 18323 4087 1 11 . 1 1 48 48 ILE HA H 125 4.234 4.234 3.654 0.580 18323 4088 1 11 . 1 1 48 48 ILE C C 125 177.530 177.530 177.855 -0.325 18323 4089 1 11 . 1 1 48 48 ILE CA C 125 63.450 63.450 65.248 -1.798 18323 4090 1 11 . 1 1 48 48 ILE CB C 125 35.908 35.908 37.651 -1.744 18323 4091 1 11 . 1 1 49 49 ARG N N 126 118.403 118.403 118.968 -0.565 18323 4092 1 11 . 1 1 49 49 ARG HA H 126 4.105 4.105 3.942 0.163 18323 4093 1 11 . 1 1 49 49 ARG C C 126 178.928 178.928 178.422 0.506 18323 4094 1 11 . 1 1 49 49 ARG CA C 126 59.934 59.934 59.070 0.864 18323 4095 1 11 . 1 1 49 49 ARG CB C 126 30.414 30.414 29.522 0.892 18323 4096 1 11 . 1 1 49 49 ARG H H 126 8.555 8.555 7.631 0.924 18323 4097 1 11 . 1 1 50 50 GLU N N 127 116.347 116.347 117.550 -1.203 18323 4098 1 11 . 1 1 50 50 GLU HA H 127 4.039 4.039 4.164 -0.125 18323 4099 1 11 . 1 1 50 50 GLU C C 127 176.941 176.941 177.803 -0.862 18323 4100 1 11 . 1 1 50 50 GLU CA C 127 58.762 58.762 58.563 0.199 18323 4101 1 11 . 1 1 50 50 GLU CB C 127 30.048 30.048 30.068 -0.020 18323 4102 1 11 . 1 1 50 50 GLU H H 127 7.990 7.990 7.687 0.303 18323 4103 1 11 . 1 1 51 51 ALA N N 128 117.251 117.251 121.585 -4.334 18323 4104 1 11 . 1 1 51 51 ALA HA H 128 4.456 4.456 4.146 0.310 18323 4105 1 11 . 1 1 51 51 ALA C C 128 177.757 177.757 178.177 -0.420 18323 4106 1 11 . 1 1 51 51 ALA CA C 128 51.730 51.730 53.387 -1.657 18323 4107 1 11 . 1 1 51 51 ALA CB C 128 21.844 21.844 18.983 2.861 18323 4108 1 11 . 1 1 51 51 ALA H H 128 7.126 7.126 7.439 -0.313 18323 4109 1 11 . 1 1 52 52 ASP N N 129 117.909 117.909 119.121 -1.212 18323 4110 1 11 . 1 1 52 52 ASP HA H 129 4.502 4.502 4.533 -0.031 18323 4111 1 11 . 1 1 52 52 ASP C C 129 175.854 175.854 176.818 -0.964 18323 4112 1 11 . 1 1 52 52 ASP CA C 129 54.074 54.074 55.817 -1.743 18323 4113 1 11 . 1 1 52 52 ASP CB C 129 40.596 40.596 40.904 -0.308 18323 4114 1 11 . 1 1 52 52 ASP H H 129 7.962 7.962 8.188 -0.226 18323 4115 1 11 . 1 1 53 53 ILE N N 130 127.900 127.900 125.788 2.112 18323 4116 1 11 . 1 1 53 53 ILE C C 130 177.995 177.995 177.268 0.727 18323 4117 1 11 . 1 1 53 53 ILE CA C 130 63.450 63.450 62.728 0.722 18323 4118 1 11 . 1 1 53 53 ILE CB C 130 38.838 38.838 38.642 0.196 18323 4119 1 11 . 1 1 53 53 ILE H H 130 8.261 8.261 9.084 -0.823 18323 4120 1 11 . 1 1 54 54 ASP N N 131 116.678 116.678 119.644 -2.966 18323 4121 1 11 . 1 1 54 54 ASP HA H 131 4.541 4.541 4.630 -0.089 18323 4122 1 11 . 1 1 54 54 ASP C C 131 178.283 178.283 177.429 0.854 18323 4123 1 11 . 1 1 54 54 ASP CA C 131 54.074 54.074 53.553 0.521 18323 4124 1 11 . 1 1 54 54 ASP CB C 131 40.010 40.010 41.193 -1.183 18323 4125 1 11 . 1 1 54 54 ASP H H 131 8.372 8.372 8.173 0.199 18323 4126 1 11 . 1 1 55 55 GLY N N 132 108.866 108.866 108.852 0.014 18323 4127 1 11 . 1 1 55 55 GLY C C 132 175.365 175.365 174.634 0.731 18323 4128 1 11 . 1 1 55 55 GLY CA C 132 47.628 47.628 46.011 1.617 18323 4129 1 11 . 1 1 55 55 GLY H H 132 7.679 7.679 8.431 -0.752 18323 4130 1 11 . 1 1 56 56 ASP N N 133 120.968 120.968 118.367 2.601 18323 4131 1 11 . 1 1 56 56 ASP HA H 133 4.493 4.493 4.641 -0.148 18323 4132 1 11 . 1 1 56 56 ASP C C 133 177.582 177.582 176.693 0.889 18323 4133 1 11 . 1 1 56 56 ASP CA C 133 53.488 53.488 53.409 0.079 18323 4134 1 11 . 1 1 56 56 ASP CB C 133 40.010 40.010 42.878 -2.868 18323 4135 1 11 . 1 1 56 56 ASP H H 133 8.415 8.415 8.280 0.135 18323 4136 1 11 . 1 1 57 57 GLY N N 134 112.821 112.821 108.741 4.080 18323 4137 1 11 . 1 1 57 57 GLY C C 134 172.847 172.847 173.047 -0.200 18323 4138 1 11 . 1 1 57 57 GLY CA C 134 45.870 45.870 44.866 1.004 18323 4139 1 11 . 1 1 57 57 GLY H H 134 10.300 10.300 8.000 2.300 18323 4140 1 11 . 1 1 58 58 GLN N N 135 115.391 115.391 118.219 -2.828 18323 4141 1 11 . 1 1 58 58 GLN HA H 135 5.003 5.003 5.236 -0.233 18323 4142 1 11 . 1 1 58 58 GLN C C 135 175.019 175.019 174.538 0.481 18323 4143 1 11 . 1 1 58 58 GLN CA C 135 52.902 52.902 54.125 -1.223 18323 4144 1 11 . 1 1 58 58 GLN CB C 135 32.978 32.978 33.281 -0.303 18323 4145 1 11 . 1 1 58 58 GLN H H 135 8.022 8.022 7.889 0.133 18323 4146 1 11 . 1 1 59 59 VAL N N 136 125.596 125.596 119.105 6.491 18323 4147 1 11 . 1 1 59 59 VAL HA H 136 5.134 5.134 4.538 0.596 18323 4148 1 11 . 1 1 59 59 VAL C C 136 175.912 175.912 174.853 1.059 18323 4149 1 11 . 1 1 59 59 VAL CA C 136 61.613 61.613 59.588 2.025 18323 4150 1 11 . 1 1 59 59 VAL CB C 136 33.694 33.694 34.819 -1.125 18323 4151 1 11 . 1 1 59 59 VAL H H 136 9.176 9.176 8.303 0.873 18323 4152 1 11 . 1 1 60 60 ASN N N 137 129.229 129.229 124.549 4.680 18323 4153 1 11 . 1 1 60 60 ASN HA H 137 5.371 5.371 4.279 1.092 18323 4154 1 11 . 1 1 60 60 ASN C C 137 174.805 174.805 176.275 -1.470 18323 4155 1 11 . 1 1 60 60 ASN CA C 137 51.144 51.144 53.998 -2.854 18323 4156 1 11 . 1 1 60 60 ASN CB C 137 38.252 38.252 39.080 -0.828 18323 4157 1 11 . 1 1 60 60 ASN H H 137 9.576 9.576 8.093 1.483 18323 4158 1 11 . 1 1 61 61 TYR N N 138 118.597 118.597 118.952 -0.355 18323 4159 1 11 . 1 1 61 61 TYR C C 138 176.119 176.119 177.958 -1.839 18323 4160 1 11 . 1 1 61 61 TYR CA C 138 62.278 62.278 62.164 0.114 18323 4161 1 11 . 1 1 61 61 TYR CB C 138 37.666 37.666 37.729 -0.063 18323 4162 1 11 . 1 1 61 61 TYR H H 138 8.268 8.268 8.395 -0.127 18323 4163 1 11 . 1 1 62 62 GLU N N 139 118.441 118.441 120.305 -1.864 18323 4164 1 11 . 1 1 62 62 GLU HA H 139 4.123 4.123 4.159 -0.036 18323 4165 1 11 . 1 1 62 62 GLU C C 139 179.189 179.189 178.965 0.224 18323 4166 1 11 . 1 1 62 62 GLU CA C 139 59.934 59.934 60.143 -0.209 18323 4167 1 11 . 1 1 62 62 GLU CB C 139 28.876 28.876 28.969 -0.093 18323 4168 1 11 . 1 1 62 62 GLU H H 139 8.087 8.087 8.939 -0.852 18323 4169 1 11 . 1 1 63 63 GLU N N 140 120.992 120.992 117.820 3.172 18323 4170 1 11 . 1 1 63 63 GLU HA H 140 3.914 3.914 4.059 -0.145 18323 4171 1 11 . 1 1 63 63 GLU C C 140 179.328 179.328 178.876 0.452 18323 4172 1 11 . 1 1 63 63 GLU CA C 140 58.762 58.762 59.282 -0.520 18323 4173 1 11 . 1 1 63 63 GLU CB C 140 29.462 29.462 29.183 0.279 18323 4174 1 11 . 1 1 63 63 GLU H H 140 7.761 7.761 8.824 -1.063 18323 4175 1 11 . 1 1 64 64 PHE N N 141 123.798 123.798 119.325 4.473 18323 4176 1 11 . 1 1 64 64 PHE C C 141 176.843 176.843 177.009 -0.166 18323 4177 1 11 . 1 1 64 64 PHE CA C 141 61.692 61.692 60.719 0.973 18323 4178 1 11 . 1 1 64 64 PHE CB C 141 39.917 39.917 39.630 0.287 18323 4179 1 11 . 1 1 64 64 PHE H H 141 8.529 8.529 7.360 1.169 18323 4180 1 11 . 1 1 65 65 VAL N N 142 119.218 119.218 119.564 -0.346 18323 4181 1 11 . 1 1 65 65 VAL C C 142 179.497 179.497 177.986 1.511 18323 4182 1 11 . 1 1 65 65 VAL CA C 142 66.966 66.966 66.612 0.354 18323 4183 1 11 . 1 1 65 65 VAL CB C 142 31.220 31.220 31.215 0.005 18323 4184 1 11 . 1 1 65 65 VAL H H 142 8.672 8.672 8.830 -0.158 18323 4185 1 11 . 1 1 66 66 GLN N N 143 118.362 118.362 117.808 0.554 18323 4186 1 11 . 1 1 66 66 GLN HA H 143 3.845 3.845 3.912 -0.067 18323 4187 1 11 . 1 1 66 66 GLN C C 143 177.881 177.881 177.952 -0.071 18323 4188 1 11 . 1 1 66 66 GLN CA C 143 58.762 58.762 58.196 0.566 18323 4189 1 11 . 1 1 66 66 GLN CB C 143 27.704 27.704 28.603 -0.899 18323 4190 1 11 . 1 1 66 66 GLN H H 143 7.550 7.550 7.975 -0.425 18323 4191 1 11 . 1 1 67 67 MET N N 144 116.720 116.720 116.753 -0.033 18323 4192 1 11 . 1 1 67 67 MET C C 144 177.803 177.803 177.019 0.784 18323 4193 1 11 . 1 1 67 67 MET CA C 144 56.418 56.418 57.115 -0.698 18323 4194 1 11 . 1 1 67 67 MET CB C 144 31.806 31.806 31.762 0.044 18323 4195 1 11 . 1 1 67 67 MET H H 144 7.300 7.300 7.503 -0.203 18323 4196 1 11 . 1 1 68 68 MET N N 145 116.116 116.116 116.743 -0.627 18323 4197 1 11 . 1 1 68 68 MET HA H 145 4.115 4.115 4.174 -0.059 18323 4198 1 11 . 1 1 68 68 MET C C 145 177.203 177.203 175.906 1.297 18323 4199 1 11 . 1 1 68 68 MET CA C 145 56.418 56.418 55.353 1.065 18323 4200 1 11 . 1 1 68 68 MET CB C 145 31.806 31.806 32.544 -0.738 18323 4201 1 11 . 1 1 68 68 MET H H 145 7.732 7.732 6.999 0.733 18323 4202 1 11 . 1 1 69 69 THR N N 146 108.868 108.868 110.143 -1.275 18323 4203 1 11 . 1 1 69 69 THR HA H 146 4.288 4.288 4.226 0.062 18323 4204 1 11 . 1 1 69 69 THR C C 146 174.154 174.154 174.988 -0.834 18323 4205 1 11 . 1 1 69 69 THR CA C 146 61.692 61.692 61.782 -0.090 18323 4206 1 11 . 1 1 69 69 THR CB C 146 69.896 69.896 69.076 0.820 18323 4207 1 11 . 1 1 69 69 THR H H 146 7.649 7.649 8.068 -0.419 18323 4208 1 11 . 1 1 70 70 ALA N N 147 126.934 126.934 123.953 2.981 18323 4209 1 11 . 1 1 70 70 ALA HA H 147 4.287 4.287 4.148 0.139 18323 4210 1 11 . 1 1 70 70 ALA C C 147 176.686 176.686 176.812 -0.126 18323 4211 1 11 . 1 1 70 70 ALA CA C 147 52.902 52.902 52.931 -0.029 18323 4212 1 11 . 1 1 70 70 ALA CB C 147 18.914 18.914 18.078 0.836 18323 4213 1 11 . 1 1 70 70 ALA H H 147 7.546 7.546 7.895 -0.349 18323 4214 1 12 . 1 1 2 2 THR N N 79 114.287 114.287 115.397 -1.110 18323 4215 1 12 . 1 1 2 2 THR HA H 79 4.281 4.281 4.081 0.200 18323 4216 1 12 . 1 1 2 2 THR C C 79 174.598 174.598 173.885 0.713 18323 4217 1 12 . 1 1 2 2 THR CA C 79 62.278 62.278 62.593 -0.315 18323 4218 1 12 . 1 1 2 2 THR CB C 79 69.310 69.310 69.255 0.055 18323 4219 1 12 . 1 1 2 2 THR H H 79 8.299 8.299 7.764 0.535 18323 4220 1 12 . 1 1 3 3 ASP N N 80 122.311 122.311 120.635 1.676 18323 4221 1 12 . 1 1 3 3 ASP C C 80 176.788 176.788 176.460 0.328 18323 4222 1 12 . 1 1 3 3 ASP CA C 80 54.660 54.660 54.923 -0.263 18323 4223 1 12 . 1 1 3 3 ASP CB C 80 41.182 41.182 40.817 0.365 18323 4224 1 12 . 1 1 3 3 ASP H H 80 8.447 8.447 8.400 0.047 18323 4225 1 12 . 1 1 4 4 SER N N 81 116.934 116.934 112.122 4.812 18323 4226 1 12 . 1 1 4 4 SER HA H 81 4.022 4.022 4.172 -0.150 18323 4227 1 12 . 1 1 4 4 SER C C 81 175.337 175.337 174.505 0.832 18323 4228 1 12 . 1 1 4 4 SER CA C 81 58.762 58.762 58.771 -0.009 18323 4229 1 12 . 1 1 4 4 SER CB C 81 64.036 64.036 62.355 1.681 18323 4230 1 12 . 1 1 4 4 SER H H 81 8.351 8.351 8.121 0.230 18323 4231 1 12 . 1 1 5 5 GLU N N 82 123.423 123.423 122.098 1.325 18323 4232 1 12 . 1 1 5 5 GLU HA H 82 4.112 4.112 3.829 0.283 18323 4233 1 12 . 1 1 5 5 GLU C C 82 178.067 178.067 177.129 0.938 18323 4234 1 12 . 1 1 5 5 GLU CA C 82 59.348 59.348 58.273 1.075 18323 4235 1 12 . 1 1 5 5 GLU CB C 82 46.749 46.749 29.378 17.372 18323 4236 1 12 . 1 1 5 5 GLU H H 82 8.588 8.588 8.727 -0.139 18323 4237 1 12 . 1 1 6 6 GLU N N 83 118.987 118.987 120.354 -1.367 18323 4238 1 12 . 1 1 6 6 GLU CA C 83 59.348 59.348 59.751 -0.403 18323 4239 1 12 . 1 1 6 6 GLU CB C 83 29.462 29.462 29.316 0.146 18323 4240 1 12 . 1 1 6 6 GLU H H 83 8.412 8.412 8.113 0.299 18323 4241 1 12 . 1 1 7 7 GLU HA H 84 4.116 4.116 4.081 0.035 18323 4242 1 12 . 1 1 7 7 GLU C C 84 178.969 178.969 179.516 -0.547 18323 4243 1 12 . 1 1 7 7 GLU CA C 84 59.348 59.348 59.274 0.074 18323 4244 1 12 . 1 1 7 7 GLU CB C 84 29.462 29.462 29.402 0.060 18323 4245 1 12 . 1 1 8 8 ILE N N 85 121.839 121.839 119.635 2.204 18323 4246 1 12 . 1 1 8 8 ILE HA H 85 3.917 3.917 3.783 0.134 18323 4247 1 12 . 1 1 8 8 ILE C C 85 178.283 178.283 178.709 -0.426 18323 4248 1 12 . 1 1 8 8 ILE CA C 85 65.208 65.208 64.932 0.276 18323 4249 1 12 . 1 1 8 8 ILE CB C 85 37.080 37.080 37.605 -0.525 18323 4250 1 12 . 1 1 8 8 ILE H H 85 8.001 8.001 8.097 -0.096 18323 4251 1 12 . 1 1 9 9 ARG N N 86 121.328 121.328 118.840 2.488 18323 4252 1 12 . 1 1 9 9 ARG HA H 86 4.260 4.260 3.911 0.349 18323 4253 1 12 . 1 1 9 9 ARG C C 86 179.291 179.291 178.359 0.932 18323 4254 1 12 . 1 1 9 9 ARG CA C 86 59.934 59.934 59.179 0.755 18323 4255 1 12 . 1 1 9 9 ARG CB C 86 29.462 29.462 29.317 0.145 18323 4256 1 12 . 1 1 9 9 ARG H H 86 8.544 8.544 8.651 -0.107 18323 4257 1 12 . 1 1 10 10 GLU N N 87 118.332 118.332 117.907 0.425 18323 4258 1 12 . 1 1 10 10 GLU HA H 87 4.116 4.116 4.263 -0.147 18323 4259 1 12 . 1 1 10 10 GLU C C 87 179.498 179.498 178.460 1.038 18323 4260 1 12 . 1 1 10 10 GLU CA C 87 59.348 59.348 58.248 1.100 18323 4261 1 12 . 1 1 10 10 GLU CB C 87 29.462 29.462 29.259 0.203 18323 4262 1 12 . 1 1 10 10 GLU H H 87 8.225 8.225 7.747 0.478 18323 4263 1 12 . 1 1 11 11 ALA N N 88 121.839 121.839 123.280 -1.441 18323 4264 1 12 . 1 1 11 11 ALA HA H 88 4.243 4.243 4.409 -0.166 18323 4265 1 12 . 1 1 11 11 ALA C C 88 176.715 176.715 179.556 -2.841 18323 4266 1 12 . 1 1 11 11 ALA CA C 88 55.246 55.246 55.102 0.144 18323 4267 1 12 . 1 1 11 11 ALA CB C 88 18.136 18.136 18.504 -0.368 18323 4268 1 12 . 1 1 11 11 ALA H H 88 8.001 8.001 8.434 -0.433 18323 4269 1 12 . 1 1 12 12 PHE N N 89 118.794 118.794 119.216 -0.422 18323 4270 1 12 . 1 1 12 12 PHE HA H 89 4.934 4.934 4.199 0.735 18323 4271 1 12 . 1 1 12 12 PHE C C 89 177.370 177.370 178.372 -1.002 18323 4272 1 12 . 1 1 12 12 PHE CA C 89 62.278 62.278 62.057 0.221 18323 4273 1 12 . 1 1 12 12 PHE CB C 89 39.424 39.424 38.614 0.810 18323 4274 1 12 . 1 1 12 12 PHE H H 89 8.630 8.630 8.135 0.495 18323 4275 1 12 . 1 1 13 13 ARG N N 90 115.837 115.837 117.045 -1.208 18323 4276 1 12 . 1 1 13 13 ARG HA H 90 3.862 3.862 4.103 -0.241 18323 4277 1 12 . 1 1 13 13 ARG C C 90 177.590 177.590 178.327 -0.737 18323 4278 1 12 . 1 1 13 13 ARG CA C 90 58.762 58.762 58.335 0.427 18323 4279 1 12 . 1 1 13 13 ARG CB C 90 30.048 30.048 29.377 0.671 18323 4280 1 12 . 1 1 13 13 ARG H H 90 7.891 7.891 7.815 0.076 18323 4281 1 12 . 1 1 14 14 VAL N N 91 118.382 118.382 118.618 -0.236 18323 4282 1 12 . 1 1 14 14 VAL C C 91 176.343 176.343 178.263 -1.920 18323 4283 1 12 . 1 1 14 14 VAL CA C 91 65.794 65.794 66.046 -0.252 18323 4284 1 12 . 1 1 14 14 VAL CB C 91 31.220 31.220 32.129 -0.909 18323 4285 1 12 . 1 1 14 14 VAL H H 91 7.407 7.407 7.364 0.043 18323 4286 1 12 . 1 1 15 15 PHE N N 92 114.257 114.257 117.917 -3.660 18323 4287 1 12 . 1 1 15 15 PHE HA H 92 4.661 4.661 4.215 0.446 18323 4288 1 12 . 1 1 15 15 PHE C C 92 176.378 176.378 177.256 -0.878 18323 4289 1 12 . 1 1 15 15 PHE CA C 92 59.934 59.934 60.333 -0.399 18323 4290 1 12 . 1 1 15 15 PHE CB C 92 41.182 41.182 38.754 2.428 18323 4291 1 12 . 1 1 15 15 PHE H H 92 6.892 6.892 9.124 -2.232 18323 4292 1 12 . 1 1 16 16 ASP N N 93 116.288 116.288 119.067 -2.779 18323 4293 1 12 . 1 1 16 16 ASP HA H 93 4.617 4.617 4.608 0.009 18323 4294 1 12 . 1 1 16 16 ASP C C 93 177.695 177.695 177.732 -0.037 18323 4295 1 12 . 1 1 16 16 ASP CA C 93 51.730 51.730 53.962 -2.232 18323 4296 1 12 . 1 1 16 16 ASP CB C 93 38.838 38.838 39.380 -0.542 18323 4297 1 12 . 1 1 16 16 ASP H H 93 7.847 7.847 8.545 -0.698 18323 4298 1 12 . 1 1 17 17 LYS N N 94 125.440 125.440 123.531 1.909 18323 4299 1 12 . 1 1 17 17 LYS HA H 94 3.889 3.889 4.026 -0.137 18323 4300 1 12 . 1 1 17 17 LYS C C 94 178.290 178.290 177.761 0.529 18323 4301 1 12 . 1 1 17 17 LYS CA C 94 58.762 58.762 58.753 0.009 18323 4302 1 12 . 1 1 17 17 LYS CB C 94 32.392 32.392 32.593 -0.201 18323 4303 1 12 . 1 1 17 17 LYS H H 94 7.662 7.662 8.686 -1.024 18323 4304 1 12 . 1 1 18 18 ASP N N 95 114.292 114.292 116.655 -2.363 18323 4305 1 12 . 1 1 18 18 ASP HA H 95 4.567 4.567 4.642 -0.075 18323 4306 1 12 . 1 1 18 18 ASP C C 95 177.826 177.826 176.403 1.423 18323 4307 1 12 . 1 1 18 18 ASP CA C 95 52.902 52.902 53.916 -1.014 18323 4308 1 12 . 1 1 18 18 ASP CB C 95 39.424 39.424 40.106 -0.682 18323 4309 1 12 . 1 1 18 18 ASP H H 95 8.336 8.336 7.877 0.459 18323 4310 1 12 . 1 1 19 19 GLY N N 96 109.374 109.374 107.608 1.766 18323 4311 1 12 . 1 1 19 19 GLY C C 96 175.145 175.145 174.946 0.199 18323 4312 1 12 . 1 1 19 19 GLY CA C 96 47.042 47.042 46.296 0.746 18323 4313 1 12 . 1 1 19 19 GLY H H 96 7.797 7.797 7.939 -0.142 18323 4314 1 12 . 1 1 20 20 ASN N N 97 119.964 119.964 116.942 3.022 18323 4315 1 12 . 1 1 20 20 ASN HA H 97 4.670 4.670 4.607 0.063 18323 4316 1 12 . 1 1 20 20 ASN C C 97 176.120 176.120 176.775 -0.655 18323 4317 1 12 . 1 1 20 20 ASN CA C 97 52.316 52.316 52.763 -0.447 18323 4318 1 12 . 1 1 20 20 ASN CB C 97 38.252 38.252 39.214 -0.962 18323 4319 1 12 . 1 1 20 20 ASN H H 97 8.430 8.430 8.243 0.187 18323 4320 1 12 . 1 1 21 21 GLY N N 98 112.726 112.726 106.563 6.163 18323 4321 1 12 . 1 1 21 21 GLY C C 98 172.751 172.751 172.685 0.066 18323 4322 1 12 . 1 1 21 21 GLY CA C 98 44.698 44.698 45.414 -0.716 18323 4323 1 12 . 1 1 21 21 GLY H H 98 10.638 10.638 8.751 1.887 18323 4324 1 12 . 1 1 22 22 TYR N N 99 116.415 116.415 115.841 0.574 18323 4325 1 12 . 1 1 22 22 TYR C C 99 174.795 174.795 174.229 0.566 18323 4326 1 12 . 1 1 22 22 TYR CA C 99 56.418 56.418 56.861 -0.443 18323 4327 1 12 . 1 1 22 22 TYR CB C 99 42.940 42.940 42.154 0.786 18323 4328 1 12 . 1 1 22 22 TYR H H 99 7.708 7.708 8.152 -0.444 18323 4329 1 12 . 1 1 23 23 ILE N N 100 127.488 127.488 122.035 5.453 18323 4330 1 12 . 1 1 23 23 ILE C C 100 175.543 175.543 175.298 0.245 18323 4331 1 12 . 1 1 23 23 ILE CA C 100 61.106 61.106 59.276 1.830 18323 4332 1 12 . 1 1 23 23 ILE CB C 100 39.424 39.424 36.842 2.582 18323 4333 1 12 . 1 1 23 23 ILE H H 100 10.197 10.197 8.674 1.523 18323 4334 1 12 . 1 1 24 24 SER N N 101 123.860 123.860 121.527 2.333 18323 4335 1 12 . 1 1 24 24 SER HA H 101 4.973 4.973 4.905 0.068 18323 4336 1 12 . 1 1 24 24 SER C C 101 175.300 175.300 175.229 0.071 18323 4337 1 12 . 1 1 24 24 SER CA C 101 55.832 55.832 56.533 -0.701 18323 4338 1 12 . 1 1 24 24 SER CB C 101 66.966 66.966 65.563 1.403 18323 4339 1 12 . 1 1 24 24 SER H H 101 8.998 8.998 9.317 -0.319 18323 4340 1 12 . 1 1 25 25 ALA N N 102 123.328 123.328 125.721 -2.393 18323 4341 1 12 . 1 1 25 25 ALA HA H 102 3.938 3.938 4.105 -0.167 18323 4342 1 12 . 1 1 25 25 ALA C C 102 179.324 179.324 179.178 0.146 18323 4343 1 12 . 1 1 25 25 ALA CA C 102 55.832 55.832 55.342 0.490 18323 4344 1 12 . 1 1 25 25 ALA CB C 102 17.742 17.742 18.724 -0.982 18323 4345 1 12 . 1 1 25 25 ALA H H 102 9.377 9.377 8.882 0.495 18323 4346 1 12 . 1 1 26 26 ALA N N 103 118.536 118.536 120.492 -1.956 18323 4347 1 12 . 1 1 26 26 ALA HA H 103 4.054 4.054 4.007 0.047 18323 4348 1 12 . 1 1 26 26 ALA C C 103 181.535 181.535 179.624 1.911 18323 4349 1 12 . 1 1 26 26 ALA CA C 103 55.246 55.246 54.906 0.340 18323 4350 1 12 . 1 1 26 26 ALA CB C 103 18.328 18.328 18.228 0.100 18323 4351 1 12 . 1 1 26 26 ALA H H 103 8.317 8.317 8.532 -0.215 18323 4352 1 12 . 1 1 27 27 GLU N N 104 120.419 120.419 118.667 1.752 18323 4353 1 12 . 1 1 27 27 GLU HA H 104 4.033 4.033 4.051 -0.018 18323 4354 1 12 . 1 1 27 27 GLU C C 104 178.950 178.950 178.960 -0.010 18323 4355 1 12 . 1 1 27 27 GLU CA C 104 59.348 59.348 59.212 0.136 18323 4356 1 12 . 1 1 27 27 GLU CB C 104 28.876 28.876 29.346 -0.470 18323 4357 1 12 . 1 1 27 27 GLU H H 104 7.977 7.977 7.832 0.145 18323 4358 1 12 . 1 1 28 28 LEU N N 105 120.658 120.658 119.065 1.593 18323 4359 1 12 . 1 1 28 28 LEU HA H 105 4.178 4.178 4.171 0.007 18323 4360 1 12 . 1 1 28 28 LEU C C 105 178.402 178.402 179.118 -0.716 18323 4361 1 12 . 1 1 28 28 LEU CA C 105 58.176 58.176 57.866 0.310 18323 4362 1 12 . 1 1 28 28 LEU CB C 105 41.768 41.768 41.453 0.315 18323 4363 1 12 . 1 1 28 28 LEU H H 105 8.500 8.500 7.324 1.176 18323 4364 1 12 . 1 1 29 29 ARG N N 106 117.807 117.807 118.444 -0.637 18323 4365 1 12 . 1 1 29 29 ARG HA H 106 4.042 4.042 3.966 0.076 18323 4366 1 12 . 1 1 29 29 ARG C C 106 177.506 177.506 178.186 -0.680 18323 4367 1 12 . 1 1 29 29 ARG CA C 106 59.934 59.934 59.308 0.626 18323 4368 1 12 . 1 1 29 29 ARG CB C 106 30.634 30.634 29.812 0.822 18323 4369 1 12 . 1 1 29 29 ARG H H 106 8.727 8.727 7.573 1.154 18323 4370 1 12 . 1 1 30 30 HIS N N 107 119.849 119.849 119.373 0.476 18323 4371 1 12 . 1 1 30 30 HIS C C 107 177.862 177.862 177.428 0.434 18323 4372 1 12 . 1 1 30 30 HIS CA C 107 59.934 59.934 59.621 0.313 18323 4373 1 12 . 1 1 30 30 HIS CB C 107 30.634 30.634 30.076 0.558 18323 4374 1 12 . 1 1 30 30 HIS H H 107 8.030 8.030 7.788 0.242 18323 4375 1 12 . 1 1 31 31 VAL N N 108 119.784 119.784 119.882 -0.098 18323 4376 1 12 . 1 1 31 31 VAL C C 108 178.437 178.437 177.181 1.256 18323 4377 1 12 . 1 1 31 31 VAL CA C 108 66.966 66.966 66.590 0.376 18323 4378 1 12 . 1 1 31 31 VAL CB C 108 31.806 31.806 31.570 0.236 18323 4379 1 12 . 1 1 31 31 VAL H H 108 8.322 8.322 8.361 -0.039 18323 4380 1 12 . 1 1 32 32 MET N N 109 115.699 115.699 116.864 -1.165 18323 4381 1 12 . 1 1 32 32 MET HA H 109 4.343 4.343 3.984 0.359 18323 4382 1 12 . 1 1 32 32 MET C C 109 179.296 179.296 178.577 0.719 18323 4383 1 12 . 1 1 32 32 MET CA C 109 57.004 57.004 58.081 -1.077 18323 4384 1 12 . 1 1 32 32 MET CB C 109 29.462 29.462 31.138 -1.676 18323 4385 1 12 . 1 1 32 32 MET H H 109 8.397 8.397 7.677 0.720 18323 4386 1 12 . 1 1 33 33 THR N N 110 116.362 116.362 116.076 0.286 18323 4387 1 12 . 1 1 33 33 THR C C 110 178.290 178.290 176.434 1.856 18323 4388 1 12 . 1 1 33 33 THR CA C 110 66.380 66.380 67.128 -0.748 18323 4389 1 12 . 1 1 33 33 THR CB C 110 68.724 68.724 68.425 0.299 18323 4390 1 12 . 1 1 33 33 THR H H 110 8.296 8.296 7.792 0.504 18323 4391 1 12 . 1 1 34 34 ASN N N 111 122.809 122.809 119.397 3.412 18323 4392 1 12 . 1 1 34 34 ASN HA H 111 4.619 4.619 4.368 0.251 18323 4393 1 12 . 1 1 34 34 ASN C C 111 176.698 176.698 177.661 -0.963 18323 4394 1 12 . 1 1 34 34 ASN CA C 111 55.832 55.832 55.160 0.672 18323 4395 1 12 . 1 1 34 34 ASN CB C 111 38.252 38.252 38.129 0.123 18323 4396 1 12 . 1 1 34 34 ASN H H 111 7.936 7.936 8.054 -0.118 18323 4397 1 12 . 1 1 35 35 LEU N N 112 118.523 118.523 118.069 0.454 18323 4398 1 12 . 1 1 35 35 LEU HA H 112 4.322 4.322 4.060 0.262 18323 4399 1 12 . 1 1 35 35 LEU C C 112 177.205 177.205 177.849 -0.644 18323 4400 1 12 . 1 1 35 35 LEU CA C 112 55.246 55.246 56.379 -1.133 18323 4401 1 12 . 1 1 35 35 LEU CB C 112 42.354 42.354 42.388 -0.034 18323 4402 1 12 . 1 1 35 35 LEU H H 112 7.815 7.815 7.996 -0.181 18323 4403 1 12 . 1 1 36 36 GLY N N 113 107.203 107.203 104.791 2.412 18323 4404 1 12 . 1 1 36 36 GLY C C 113 174.354 174.354 173.853 0.501 18323 4405 1 12 . 1 1 36 36 GLY CA C 113 45.284 45.284 44.468 0.817 18323 4406 1 12 . 1 1 36 36 GLY H H 113 7.853 7.853 7.513 0.340 18323 4407 1 12 . 1 1 37 37 GLU N N 114 120.199 120.199 121.796 -1.597 18323 4408 1 12 . 1 1 37 37 GLU HA H 114 4.435 4.435 4.481 -0.046 18323 4409 1 12 . 1 1 37 37 GLU C C 114 175.359 175.359 175.377 -0.018 18323 4410 1 12 . 1 1 37 37 GLU CA C 114 54.660 54.660 54.770 -0.111 18323 4411 1 12 . 1 1 37 37 GLU CB C 114 30.634 30.634 31.434 -0.800 18323 4412 1 12 . 1 1 37 37 GLU H H 114 7.909 7.909 8.518 -0.609 18323 4413 1 12 . 1 1 38 38 LYS N N 115 124.425 124.425 125.648 -1.223 18323 4414 1 12 . 1 1 38 38 LYS HA H 115 4.372 4.372 4.317 0.055 18323 4415 1 12 . 1 1 38 38 LYS C C 115 175.464 175.464 176.274 -0.810 18323 4416 1 12 . 1 1 38 38 LYS CA C 115 55.246 55.246 55.800 -0.554 18323 4417 1 12 . 1 1 38 38 LYS CB C 115 31.806 31.806 32.193 -0.387 18323 4418 1 12 . 1 1 38 38 LYS H H 115 8.642 8.642 8.600 0.042 18323 4419 1 12 . 1 1 39 39 LEU N N 116 125.258 125.258 125.863 -0.605 18323 4420 1 12 . 1 1 39 39 LEU HA H 116 4.742 4.742 4.346 0.396 18323 4421 1 12 . 1 1 39 39 LEU C C 116 178.351 178.351 177.459 0.892 18323 4422 1 12 . 1 1 39 39 LEU CA C 116 54.074 54.074 54.954 -0.880 18323 4423 1 12 . 1 1 39 39 LEU CB C 116 44.112 44.112 42.704 1.408 18323 4424 1 12 . 1 1 39 39 LEU H H 116 8.102 8.102 8.306 -0.204 18323 4425 1 12 . 1 1 40 40 THR N N 117 114.811 114.811 111.182 3.629 18323 4426 1 12 . 1 1 40 40 THR HA H 117 4.744 4.744 4.558 0.186 18323 4427 1 12 . 1 1 40 40 THR C C 117 175.522 175.522 175.029 0.493 18323 4428 1 12 . 1 1 40 40 THR CA C 117 60.520 60.520 60.890 -0.370 18323 4429 1 12 . 1 1 40 40 THR CB C 117 71.068 71.068 71.306 -0.238 18323 4430 1 12 . 1 1 40 40 THR H H 117 9.297 9.297 8.408 0.889 18323 4431 1 12 . 1 1 41 41 ASP N N 118 121.232 121.232 125.329 -4.097 18323 4432 1 12 . 1 1 41 41 ASP C C 118 178.644 178.644 178.321 0.323 18323 4433 1 12 . 1 1 41 41 ASP CA C 118 57.590 57.590 58.026 -0.436 18323 4434 1 12 . 1 1 41 41 ASP CB C 118 39.424 39.424 40.427 -1.003 18323 4435 1 12 . 1 1 41 41 ASP H H 118 8.967 8.967 9.027 -0.060 18323 4436 1 12 . 1 1 42 42 GLU N N 119 119.357 119.357 117.633 1.724 18323 4437 1 12 . 1 1 42 42 GLU HA H 119 4.051 4.051 4.035 0.016 18323 4438 1 12 . 1 1 42 42 GLU C C 119 178.847 178.847 178.880 -0.033 18323 4439 1 12 . 1 1 42 42 GLU CA C 119 59.934 59.934 59.300 0.634 18323 4440 1 12 . 1 1 42 42 GLU CB C 119 28.876 28.876 29.340 -0.465 18323 4441 1 12 . 1 1 42 42 GLU H H 119 8.679 8.679 8.784 -0.105 18323 4442 1 12 . 1 1 43 43 GLU N N 120 118.761 118.761 120.662 -1.901 18323 4443 1 12 . 1 1 43 43 GLU HA H 120 4.003 4.003 4.130 -0.127 18323 4444 1 12 . 1 1 43 43 GLU C C 120 179.996 179.996 178.804 1.192 18323 4445 1 12 . 1 1 43 43 GLU CA C 120 59.348 59.348 58.905 0.443 18323 4446 1 12 . 1 1 43 43 GLU CB C 120 30.048 30.048 29.783 0.265 18323 4447 1 12 . 1 1 43 43 GLU H H 120 7.998 7.998 7.525 0.473 18323 4448 1 12 . 1 1 44 44 VAL N N 121 121.165 121.165 121.151 0.014 18323 4449 1 12 . 1 1 44 44 VAL HA H 121 3.439 3.439 3.597 -0.158 18323 4450 1 12 . 1 1 44 44 VAL C C 121 177.489 177.489 177.698 -0.209 18323 4451 1 12 . 1 1 44 44 VAL CA C 121 66.966 66.966 67.424 -0.458 18323 4452 1 12 . 1 1 44 44 VAL CB C 121 31.220 31.220 31.976 -0.756 18323 4453 1 12 . 1 1 44 44 VAL H H 121 8.051 8.051 8.565 -0.514 18323 4454 1 12 . 1 1 45 45 ASP N N 122 119.507 119.507 118.418 1.089 18323 4455 1 12 . 1 1 45 45 ASP HA H 122 4.338 4.338 4.295 0.043 18323 4456 1 12 . 1 1 45 45 ASP C C 122 179.226 179.226 178.683 0.543 18323 4457 1 12 . 1 1 45 45 ASP CA C 122 57.590 57.590 57.559 0.031 18323 4458 1 12 . 1 1 45 45 ASP CB C 122 40.596 40.596 40.807 -0.211 18323 4459 1 12 . 1 1 45 45 ASP H H 122 8.092 8.092 8.266 -0.174 18323 4460 1 12 . 1 1 46 46 GLU N N 123 119.871 119.871 119.265 0.606 18323 4461 1 12 . 1 1 46 46 GLU HA H 123 4.033 4.033 4.091 -0.058 18323 4462 1 12 . 1 1 46 46 GLU C C 123 178.612 178.612 178.799 -0.187 18323 4463 1 12 . 1 1 46 46 GLU CA C 123 59.348 59.348 58.426 0.922 18323 4464 1 12 . 1 1 46 46 GLU CB C 123 29.462 29.462 29.656 -0.194 18323 4465 1 12 . 1 1 46 46 GLU H H 123 8.131 8.131 7.674 0.457 18323 4466 1 12 . 1 1 47 47 MET N N 124 119.395 119.395 121.410 -2.015 18323 4467 1 12 . 1 1 47 47 MET CA C 124 60.520 60.520 59.825 0.695 18323 4468 1 12 . 1 1 47 47 MET CB C 124 32.978 32.978 32.672 0.306 18323 4469 1 12 . 1 1 47 47 MET H H 124 7.781 7.781 8.320 -0.539 18323 4470 1 12 . 1 1 48 48 ILE HA H 125 4.234 4.234 3.698 0.536 18323 4471 1 12 . 1 1 48 48 ILE C C 125 177.530 177.530 177.906 -0.376 18323 4472 1 12 . 1 1 48 48 ILE CA C 125 63.450 63.450 65.360 -1.910 18323 4473 1 12 . 1 1 48 48 ILE CB C 125 35.908 35.908 37.583 -1.675 18323 4474 1 12 . 1 1 49 49 ARG N N 126 118.403 118.403 119.020 -0.617 18323 4475 1 12 . 1 1 49 49 ARG HA H 126 4.105 4.105 3.984 0.121 18323 4476 1 12 . 1 1 49 49 ARG C C 126 178.928 178.928 178.272 0.656 18323 4477 1 12 . 1 1 49 49 ARG CA C 126 59.934 59.934 58.948 0.986 18323 4478 1 12 . 1 1 49 49 ARG CB C 126 30.414 30.414 29.552 0.862 18323 4479 1 12 . 1 1 49 49 ARG H H 126 8.555 8.555 7.647 0.908 18323 4480 1 12 . 1 1 50 50 GLU N N 127 116.347 116.347 117.468 -1.121 18323 4481 1 12 . 1 1 50 50 GLU HA H 127 4.039 4.039 4.192 -0.153 18323 4482 1 12 . 1 1 50 50 GLU C C 127 176.941 176.941 177.730 -0.789 18323 4483 1 12 . 1 1 50 50 GLU CA C 127 58.762 58.762 58.568 0.194 18323 4484 1 12 . 1 1 50 50 GLU CB C 127 30.048 30.048 30.165 -0.117 18323 4485 1 12 . 1 1 50 50 GLU H H 127 7.990 7.990 7.846 0.144 18323 4486 1 12 . 1 1 51 51 ALA N N 128 117.251 117.251 120.918 -3.667 18323 4487 1 12 . 1 1 51 51 ALA HA H 128 4.456 4.456 4.119 0.337 18323 4488 1 12 . 1 1 51 51 ALA C C 128 177.757 177.757 177.645 0.112 18323 4489 1 12 . 1 1 51 51 ALA CA C 128 51.730 51.730 53.564 -1.834 18323 4490 1 12 . 1 1 51 51 ALA CB C 128 21.844 21.844 19.504 2.340 18323 4491 1 12 . 1 1 51 51 ALA H H 128 7.126 7.126 7.718 -0.592 18323 4492 1 12 . 1 1 52 52 ASP N N 129 117.909 117.909 118.303 -0.394 18323 4493 1 12 . 1 1 52 52 ASP HA H 129 4.502 4.502 4.451 0.051 18323 4494 1 12 . 1 1 52 52 ASP C C 129 175.854 175.854 176.190 -0.336 18323 4495 1 12 . 1 1 52 52 ASP CA C 129 54.074 54.074 55.536 -1.462 18323 4496 1 12 . 1 1 52 52 ASP CB C 129 40.596 40.596 41.091 -0.495 18323 4497 1 12 . 1 1 52 52 ASP H H 129 7.962 7.962 8.273 -0.311 18323 4498 1 12 . 1 1 53 53 ILE N N 130 127.900 127.900 124.581 3.319 18323 4499 1 12 . 1 1 53 53 ILE C C 130 177.995 177.995 177.001 0.994 18323 4500 1 12 . 1 1 53 53 ILE CA C 130 63.450 63.450 62.172 1.278 18323 4501 1 12 . 1 1 53 53 ILE CB C 130 38.838 38.838 38.499 0.339 18323 4502 1 12 . 1 1 53 53 ILE H H 130 8.261 8.261 8.286 -0.025 18323 4503 1 12 . 1 1 54 54 ASP N N 131 116.678 116.678 118.716 -2.038 18323 4504 1 12 . 1 1 54 54 ASP HA H 131 4.541 4.541 4.716 -0.175 18323 4505 1 12 . 1 1 54 54 ASP C C 131 178.283 178.283 177.012 1.271 18323 4506 1 12 . 1 1 54 54 ASP CA C 131 54.074 54.074 54.120 -0.046 18323 4507 1 12 . 1 1 54 54 ASP CB C 131 40.010 40.010 40.878 -0.868 18323 4508 1 12 . 1 1 54 54 ASP H H 131 8.372 8.372 8.277 0.095 18323 4509 1 12 . 1 1 55 55 GLY N N 132 108.866 108.866 109.663 -0.797 18323 4510 1 12 . 1 1 55 55 GLY C C 132 175.365 175.365 174.567 0.798 18323 4511 1 12 . 1 1 55 55 GLY CA C 132 47.628 47.628 46.173 1.455 18323 4512 1 12 . 1 1 55 55 GLY H H 132 7.679 7.679 8.762 -1.083 18323 4513 1 12 . 1 1 56 56 ASP N N 133 120.968 120.968 118.464 2.504 18323 4514 1 12 . 1 1 56 56 ASP HA H 133 4.493 4.493 4.602 -0.109 18323 4515 1 12 . 1 1 56 56 ASP C C 133 177.582 177.582 177.016 0.566 18323 4516 1 12 . 1 1 56 56 ASP CA C 133 53.488 53.488 53.820 -0.332 18323 4517 1 12 . 1 1 56 56 ASP CB C 133 40.010 40.010 43.114 -3.104 18323 4518 1 12 . 1 1 56 56 ASP H H 133 8.415 8.415 8.146 0.269 18323 4519 1 12 . 1 1 57 57 GLY N N 134 112.821 112.821 109.584 3.237 18323 4520 1 12 . 1 1 57 57 GLY C C 134 172.847 172.847 173.270 -0.423 18323 4521 1 12 . 1 1 57 57 GLY CA C 134 45.870 45.870 45.131 0.739 18323 4522 1 12 . 1 1 57 57 GLY H H 134 10.300 10.300 8.300 2.000 18323 4523 1 12 . 1 1 58 58 GLN N N 135 115.391 115.391 118.769 -3.378 18323 4524 1 12 . 1 1 58 58 GLN HA H 135 5.003 5.003 4.756 0.247 18323 4525 1 12 . 1 1 58 58 GLN C C 135 175.019 175.019 174.502 0.517 18323 4526 1 12 . 1 1 58 58 GLN CA C 135 52.902 52.902 54.323 -1.421 18323 4527 1 12 . 1 1 58 58 GLN CB C 135 32.978 32.978 31.360 1.618 18323 4528 1 12 . 1 1 58 58 GLN H H 135 8.022 8.022 7.898 0.124 18323 4529 1 12 . 1 1 59 59 VAL N N 136 125.596 125.596 124.682 0.914 18323 4530 1 12 . 1 1 59 59 VAL HA H 136 5.134 5.134 4.310 0.824 18323 4531 1 12 . 1 1 59 59 VAL C C 136 175.912 175.912 175.943 -0.031 18323 4532 1 12 . 1 1 59 59 VAL CA C 136 61.613 61.613 61.060 0.552 18323 4533 1 12 . 1 1 59 59 VAL CB C 136 33.694 33.694 33.431 0.263 18323 4534 1 12 . 1 1 59 59 VAL H H 136 9.176 9.176 8.323 0.853 18323 4535 1 12 . 1 1 60 60 ASN N N 137 129.229 129.229 124.919 4.310 18323 4536 1 12 . 1 1 60 60 ASN HA H 137 5.371 5.371 4.399 0.972 18323 4537 1 12 . 1 1 60 60 ASN C C 137 174.805 174.805 176.840 -2.035 18323 4538 1 12 . 1 1 60 60 ASN CA C 137 51.144 51.144 52.912 -1.768 18323 4539 1 12 . 1 1 60 60 ASN CB C 137 38.252 38.252 38.747 -0.495 18323 4540 1 12 . 1 1 60 60 ASN H H 137 9.576 9.576 8.290 1.286 18323 4541 1 12 . 1 1 61 61 TYR N N 138 118.597 118.597 119.499 -0.902 18323 4542 1 12 . 1 1 61 61 TYR C C 138 176.119 176.119 177.914 -1.795 18323 4543 1 12 . 1 1 61 61 TYR CA C 138 62.278 62.278 61.856 0.422 18323 4544 1 12 . 1 1 61 61 TYR CB C 138 37.666 37.666 37.676 -0.010 18323 4545 1 12 . 1 1 61 61 TYR H H 138 8.268 8.268 8.274 -0.006 18323 4546 1 12 . 1 1 62 62 GLU N N 139 118.441 118.441 120.003 -1.562 18323 4547 1 12 . 1 1 62 62 GLU HA H 139 4.123 4.123 4.132 -0.009 18323 4548 1 12 . 1 1 62 62 GLU C C 139 179.189 179.189 178.780 0.409 18323 4549 1 12 . 1 1 62 62 GLU CA C 139 59.934 59.934 59.737 0.197 18323 4550 1 12 . 1 1 62 62 GLU CB C 139 28.876 28.876 29.031 -0.155 18323 4551 1 12 . 1 1 62 62 GLU H H 139 8.087 8.087 8.825 -0.738 18323 4552 1 12 . 1 1 63 63 GLU N N 140 120.992 120.992 117.326 3.666 18323 4553 1 12 . 1 1 63 63 GLU HA H 140 3.914 3.914 4.061 -0.147 18323 4554 1 12 . 1 1 63 63 GLU C C 140 179.328 179.328 177.229 2.099 18323 4555 1 12 . 1 1 63 63 GLU CA C 140 58.762 58.762 59.166 -0.404 18323 4556 1 12 . 1 1 63 63 GLU CB C 140 29.462 29.462 29.317 0.145 18323 4557 1 12 . 1 1 63 63 GLU H H 140 7.761 7.761 8.706 -0.945 18323 4558 1 12 . 1 1 64 64 PHE N N 141 123.798 123.798 117.485 6.313 18323 4559 1 12 . 1 1 64 64 PHE C C 141 176.843 176.843 177.390 -0.547 18323 4560 1 12 . 1 1 64 64 PHE CA C 141 61.692 61.692 60.394 1.298 18323 4561 1 12 . 1 1 64 64 PHE CB C 141 39.917 39.917 39.884 0.033 18323 4562 1 12 . 1 1 64 64 PHE H H 141 8.529 8.529 7.571 0.958 18323 4563 1 12 . 1 1 65 65 VAL N N 142 119.218 119.218 117.654 1.564 18323 4564 1 12 . 1 1 65 65 VAL C C 142 179.497 179.497 178.419 1.078 18323 4565 1 12 . 1 1 65 65 VAL CA C 142 66.966 66.966 64.347 2.619 18323 4566 1 12 . 1 1 65 65 VAL CB C 142 31.220 31.220 31.317 -0.097 18323 4567 1 12 . 1 1 65 65 VAL H H 142 8.672 8.672 8.196 0.476 18323 4568 1 12 . 1 1 66 66 GLN N N 143 118.362 118.362 120.250 -1.888 18323 4569 1 12 . 1 1 66 66 GLN HA H 143 3.845 3.845 3.999 -0.154 18323 4570 1 12 . 1 1 66 66 GLN C C 143 177.881 177.881 177.351 0.530 18323 4571 1 12 . 1 1 66 66 GLN CA C 143 58.762 58.762 58.633 0.129 18323 4572 1 12 . 1 1 66 66 GLN CB C 143 27.704 27.704 28.315 -0.611 18323 4573 1 12 . 1 1 66 66 GLN H H 143 7.550 7.550 8.283 -0.733 18323 4574 1 12 . 1 1 67 67 MET N N 144 116.720 116.720 114.411 2.309 18323 4575 1 12 . 1 1 67 67 MET C C 144 177.803 177.803 176.460 1.343 18323 4576 1 12 . 1 1 67 67 MET CA C 144 56.418 56.418 54.854 1.564 18323 4577 1 12 . 1 1 67 67 MET CB C 144 31.806 31.806 32.942 -1.136 18323 4578 1 12 . 1 1 67 67 MET H H 144 7.300 7.300 7.413 -0.113 18323 4579 1 12 . 1 1 68 68 MET N N 145 116.116 116.116 120.724 -4.608 18323 4580 1 12 . 1 1 68 68 MET HA H 145 4.115 4.115 4.186 -0.071 18323 4581 1 12 . 1 1 68 68 MET C C 145 177.203 177.203 176.715 0.488 18323 4582 1 12 . 1 1 68 68 MET CA C 145 56.418 56.418 55.803 0.615 18323 4583 1 12 . 1 1 68 68 MET CB C 145 31.806 31.806 33.796 -1.990 18323 4584 1 12 . 1 1 68 68 MET H H 145 7.732 7.732 7.453 0.279 18323 4585 1 12 . 1 1 69 69 THR N N 146 108.868 108.868 117.221 -8.353 18323 4586 1 12 . 1 1 69 69 THR HA H 146 4.288 4.288 4.238 0.050 18323 4587 1 12 . 1 1 69 69 THR C C 146 174.154 174.154 174.502 -0.348 18323 4588 1 12 . 1 1 69 69 THR CA C 146 61.692 61.692 62.978 -1.286 18323 4589 1 12 . 1 1 69 69 THR CB C 146 69.896 69.896 68.814 1.082 18323 4590 1 12 . 1 1 69 69 THR H H 146 7.649 7.649 8.168 -0.519 18323 4591 1 12 . 1 1 70 70 ALA N N 147 126.934 126.934 125.029 1.905 18323 4592 1 12 . 1 1 70 70 ALA HA H 147 4.287 4.287 4.279 0.008 18323 4593 1 12 . 1 1 70 70 ALA C C 147 176.686 176.686 176.651 0.035 18323 4594 1 12 . 1 1 70 70 ALA CA C 147 52.902 52.902 53.134 -0.232 18323 4595 1 12 . 1 1 70 70 ALA CB C 147 18.914 18.914 19.133 -0.219 18323 4596 1 12 . 1 1 70 70 ALA H H 147 7.546 7.546 7.743 -0.197 18323 4597 1 13 . 1 1 2 2 THR N N 79 114.287 114.287 115.215 -0.928 18323 4598 1 13 . 1 1 2 2 THR HA H 79 4.281 4.281 4.155 0.126 18323 4599 1 13 . 1 1 2 2 THR C C 79 174.598 174.598 175.429 -0.831 18323 4600 1 13 . 1 1 2 2 THR CA C 79 62.278 62.278 63.718 -1.440 18323 4601 1 13 . 1 1 2 2 THR CB C 79 69.310 69.310 69.089 0.221 18323 4602 1 13 . 1 1 2 2 THR H H 79 8.299 8.299 7.950 0.349 18323 4603 1 13 . 1 1 3 3 ASP N N 80 122.311 122.311 119.821 2.490 18323 4604 1 13 . 1 1 3 3 ASP C C 80 176.788 176.788 177.542 -0.754 18323 4605 1 13 . 1 1 3 3 ASP CA C 80 54.660 54.660 55.240 -0.580 18323 4606 1 13 . 1 1 3 3 ASP CB C 80 41.182 41.182 40.953 0.229 18323 4607 1 13 . 1 1 3 3 ASP H H 80 8.447 8.447 8.232 0.215 18323 4608 1 13 . 1 1 4 4 SER N N 81 116.934 116.934 114.230 2.704 18323 4609 1 13 . 1 1 4 4 SER HA H 81 4.022 4.022 3.911 0.111 18323 4610 1 13 . 1 1 4 4 SER C C 81 175.337 175.337 175.993 -0.656 18323 4611 1 13 . 1 1 4 4 SER CA C 81 58.762 58.762 60.751 -1.989 18323 4612 1 13 . 1 1 4 4 SER CB C 81 64.036 64.036 62.195 1.841 18323 4613 1 13 . 1 1 4 4 SER H H 81 8.351 8.351 8.499 -0.148 18323 4614 1 13 . 1 1 5 5 GLU N N 82 123.423 123.423 122.791 0.632 18323 4615 1 13 . 1 1 5 5 GLU HA H 82 4.112 4.112 3.913 0.199 18323 4616 1 13 . 1 1 5 5 GLU C C 82 178.067 178.067 178.755 -0.688 18323 4617 1 13 . 1 1 5 5 GLU CA C 82 59.348 59.348 59.484 -0.136 18323 4618 1 13 . 1 1 5 5 GLU CB C 82 46.749 46.749 29.444 17.305 18323 4619 1 13 . 1 1 5 5 GLU H H 82 8.588 8.588 8.433 0.155 18323 4620 1 13 . 1 1 6 6 GLU N N 83 118.987 118.987 118.194 0.793 18323 4621 1 13 . 1 1 6 6 GLU CA C 83 59.348 59.348 59.257 0.091 18323 4622 1 13 . 1 1 6 6 GLU CB C 83 29.462 29.462 29.399 0.063 18323 4623 1 13 . 1 1 6 6 GLU H H 83 8.412 8.412 7.829 0.583 18323 4624 1 13 . 1 1 7 7 GLU HA H 84 4.116 4.116 4.035 0.081 18323 4625 1 13 . 1 1 7 7 GLU C C 84 178.969 178.969 179.014 -0.045 18323 4626 1 13 . 1 1 7 7 GLU CA C 84 59.348 59.348 59.420 -0.073 18323 4627 1 13 . 1 1 7 7 GLU CB C 84 29.462 29.462 29.288 0.174 18323 4628 1 13 . 1 1 8 8 ILE N N 85 121.839 121.839 118.549 3.290 18323 4629 1 13 . 1 1 8 8 ILE HA H 85 3.917 3.917 3.739 0.178 18323 4630 1 13 . 1 1 8 8 ILE C C 85 178.283 178.283 178.790 -0.507 18323 4631 1 13 . 1 1 8 8 ILE CA C 85 65.208 65.208 65.263 -0.054 18323 4632 1 13 . 1 1 8 8 ILE CB C 85 37.080 37.080 37.836 -0.756 18323 4633 1 13 . 1 1 8 8 ILE H H 85 8.001 8.001 8.028 -0.027 18323 4634 1 13 . 1 1 9 9 ARG N N 86 121.328 121.328 119.693 1.635 18323 4635 1 13 . 1 1 9 9 ARG HA H 86 4.260 4.260 4.061 0.199 18323 4636 1 13 . 1 1 9 9 ARG C C 86 179.291 179.291 178.709 0.582 18323 4637 1 13 . 1 1 9 9 ARG CA C 86 59.934 59.934 59.047 0.887 18323 4638 1 13 . 1 1 9 9 ARG CB C 86 29.462 29.462 29.401 0.060 18323 4639 1 13 . 1 1 9 9 ARG H H 86 8.544 8.544 7.688 0.856 18323 4640 1 13 . 1 1 10 10 GLU N N 87 118.332 118.332 117.566 0.766 18323 4641 1 13 . 1 1 10 10 GLU HA H 87 4.116 4.116 4.269 -0.153 18323 4642 1 13 . 1 1 10 10 GLU C C 87 179.498 179.498 178.482 1.016 18323 4643 1 13 . 1 1 10 10 GLU CA C 87 59.348 59.348 58.215 1.133 18323 4644 1 13 . 1 1 10 10 GLU CB C 87 29.462 29.462 29.111 0.351 18323 4645 1 13 . 1 1 10 10 GLU H H 87 8.225 8.225 8.185 0.040 18323 4646 1 13 . 1 1 11 11 ALA N N 88 121.839 121.839 123.149 -1.310 18323 4647 1 13 . 1 1 11 11 ALA HA H 88 4.243 4.243 4.328 -0.085 18323 4648 1 13 . 1 1 11 11 ALA C C 88 176.715 176.715 179.396 -2.681 18323 4649 1 13 . 1 1 11 11 ALA CA C 88 55.246 55.246 54.981 0.265 18323 4650 1 13 . 1 1 11 11 ALA CB C 88 18.136 18.136 18.339 -0.203 18323 4651 1 13 . 1 1 11 11 ALA H H 88 8.001 8.001 8.233 -0.232 18323 4652 1 13 . 1 1 12 12 PHE N N 89 118.794 118.794 118.929 -0.135 18323 4653 1 13 . 1 1 12 12 PHE HA H 89 4.934 4.934 4.044 0.890 18323 4654 1 13 . 1 1 12 12 PHE C C 89 177.370 177.370 178.470 -1.100 18323 4655 1 13 . 1 1 12 12 PHE CA C 89 62.278 62.278 62.983 -0.705 18323 4656 1 13 . 1 1 12 12 PHE CB C 89 39.424 39.424 38.605 0.819 18323 4657 1 13 . 1 1 12 12 PHE H H 89 8.630 8.630 7.864 0.766 18323 4658 1 13 . 1 1 13 13 ARG N N 90 115.837 115.837 117.571 -1.734 18323 4659 1 13 . 1 1 13 13 ARG HA H 90 3.862 3.862 4.055 -0.193 18323 4660 1 13 . 1 1 13 13 ARG C C 90 177.590 177.590 177.942 -0.352 18323 4661 1 13 . 1 1 13 13 ARG CA C 90 58.762 58.762 59.641 -0.879 18323 4662 1 13 . 1 1 13 13 ARG CB C 90 30.048 30.048 30.058 -0.010 18323 4663 1 13 . 1 1 13 13 ARG H H 90 7.891 7.891 7.617 0.274 18323 4664 1 13 . 1 1 14 14 VAL N N 91 118.382 118.382 118.304 0.078 18323 4665 1 13 . 1 1 14 14 VAL C C 91 176.343 176.343 178.043 -1.700 18323 4666 1 13 . 1 1 14 14 VAL CA C 91 65.794 65.794 65.799 -0.005 18323 4667 1 13 . 1 1 14 14 VAL CB C 91 31.220 31.220 32.138 -0.918 18323 4668 1 13 . 1 1 14 14 VAL H H 91 7.407 7.407 7.389 0.018 18323 4669 1 13 . 1 1 15 15 PHE N N 92 114.257 114.257 117.134 -2.877 18323 4670 1 13 . 1 1 15 15 PHE HA H 92 4.661 4.661 4.224 0.437 18323 4671 1 13 . 1 1 15 15 PHE C C 92 176.378 176.378 177.192 -0.814 18323 4672 1 13 . 1 1 15 15 PHE CA C 92 59.934 59.934 59.978 -0.045 18323 4673 1 13 . 1 1 15 15 PHE CB C 92 41.182 41.182 38.898 2.284 18323 4674 1 13 . 1 1 15 15 PHE H H 92 6.892 6.892 8.863 -1.971 18323 4675 1 13 . 1 1 16 16 ASP N N 93 116.288 116.288 119.709 -3.421 18323 4676 1 13 . 1 1 16 16 ASP HA H 93 4.617 4.617 4.758 -0.141 18323 4677 1 13 . 1 1 16 16 ASP C C 93 177.695 177.695 177.780 -0.085 18323 4678 1 13 . 1 1 16 16 ASP CA C 93 51.730 51.730 54.194 -2.464 18323 4679 1 13 . 1 1 16 16 ASP CB C 93 38.838 38.838 39.274 -0.436 18323 4680 1 13 . 1 1 16 16 ASP H H 93 7.847 7.847 8.676 -0.829 18323 4681 1 13 . 1 1 17 17 LYS N N 94 125.440 125.440 122.171 3.269 18323 4682 1 13 . 1 1 17 17 LYS HA H 94 3.889 3.889 4.003 -0.114 18323 4683 1 13 . 1 1 17 17 LYS C C 94 178.290 178.290 177.108 1.182 18323 4684 1 13 . 1 1 17 17 LYS CA C 94 58.762 58.762 59.184 -0.422 18323 4685 1 13 . 1 1 17 17 LYS CB C 94 32.392 32.392 32.622 -0.230 18323 4686 1 13 . 1 1 17 17 LYS H H 94 7.662 7.662 8.601 -0.939 18323 4687 1 13 . 1 1 18 18 ASP N N 95 114.292 114.292 116.376 -2.084 18323 4688 1 13 . 1 1 18 18 ASP HA H 95 4.567 4.567 4.602 -0.035 18323 4689 1 13 . 1 1 18 18 ASP C C 95 177.826 177.826 176.538 1.288 18323 4690 1 13 . 1 1 18 18 ASP CA C 95 52.902 52.902 54.093 -1.192 18323 4691 1 13 . 1 1 18 18 ASP CB C 95 39.424 39.424 39.528 -0.104 18323 4692 1 13 . 1 1 18 18 ASP H H 95 8.336 8.336 8.159 0.177 18323 4693 1 13 . 1 1 19 19 GLY N N 96 109.374 109.374 107.400 1.974 18323 4694 1 13 . 1 1 19 19 GLY C C 96 175.145 175.145 175.305 -0.160 18323 4695 1 13 . 1 1 19 19 GLY CA C 96 47.042 47.042 46.396 0.646 18323 4696 1 13 . 1 1 19 19 GLY H H 96 7.797 7.797 7.636 0.161 18323 4697 1 13 . 1 1 20 20 ASN N N 97 119.964 119.964 118.204 1.760 18323 4698 1 13 . 1 1 20 20 ASN HA H 97 4.670 4.670 4.699 -0.029 18323 4699 1 13 . 1 1 20 20 ASN C C 97 176.120 176.120 176.708 -0.588 18323 4700 1 13 . 1 1 20 20 ASN CA C 97 52.316 52.316 51.965 0.352 18323 4701 1 13 . 1 1 20 20 ASN CB C 97 38.252 38.252 38.515 -0.263 18323 4702 1 13 . 1 1 20 20 ASN H H 97 8.430 8.430 8.390 0.040 18323 4703 1 13 . 1 1 21 21 GLY N N 98 112.726 112.726 106.667 6.059 18323 4704 1 13 . 1 1 21 21 GLY C C 98 172.751 172.751 172.863 -0.112 18323 4705 1 13 . 1 1 21 21 GLY CA C 98 44.698 44.698 46.047 -1.349 18323 4706 1 13 . 1 1 21 21 GLY H H 98 10.638 10.638 8.798 1.840 18323 4707 1 13 . 1 1 22 22 TYR N N 99 116.415 116.415 116.615 -0.200 18323 4708 1 13 . 1 1 22 22 TYR C C 99 174.795 174.795 173.473 1.322 18323 4709 1 13 . 1 1 22 22 TYR CA C 99 56.418 56.418 57.518 -1.100 18323 4710 1 13 . 1 1 22 22 TYR CB C 99 42.940 42.940 42.391 0.549 18323 4711 1 13 . 1 1 22 22 TYR H H 99 7.708 7.708 8.413 -0.705 18323 4712 1 13 . 1 1 23 23 ILE N N 100 127.488 127.488 120.288 7.200 18323 4713 1 13 . 1 1 23 23 ILE C C 100 175.543 175.543 174.736 0.807 18323 4714 1 13 . 1 1 23 23 ILE CA C 100 61.106 61.106 58.526 2.580 18323 4715 1 13 . 1 1 23 23 ILE CB C 100 39.424 39.424 39.176 0.248 18323 4716 1 13 . 1 1 23 23 ILE H H 100 10.197 10.197 8.146 2.051 18323 4717 1 13 . 1 1 24 24 SER N N 101 123.860 123.860 122.363 1.497 18323 4718 1 13 . 1 1 24 24 SER HA H 101 4.973 4.973 4.878 0.095 18323 4719 1 13 . 1 1 24 24 SER C C 101 175.300 175.300 175.306 -0.006 18323 4720 1 13 . 1 1 24 24 SER CA C 101 55.832 55.832 56.096 -0.264 18323 4721 1 13 . 1 1 24 24 SER CB C 101 66.966 66.966 65.599 1.367 18323 4722 1 13 . 1 1 24 24 SER H H 101 8.998 8.998 8.800 0.198 18323 4723 1 13 . 1 1 25 25 ALA N N 102 123.328 123.328 125.840 -2.512 18323 4724 1 13 . 1 1 25 25 ALA HA H 102 3.938 3.938 4.119 -0.181 18323 4725 1 13 . 1 1 25 25 ALA C C 102 179.324 179.324 178.813 0.511 18323 4726 1 13 . 1 1 25 25 ALA CA C 102 55.832 55.832 55.143 0.689 18323 4727 1 13 . 1 1 25 25 ALA CB C 102 17.742 17.742 18.670 -0.928 18323 4728 1 13 . 1 1 25 25 ALA H H 102 9.377 9.377 9.016 0.361 18323 4729 1 13 . 1 1 26 26 ALA N N 103 118.536 118.536 120.109 -1.573 18323 4730 1 13 . 1 1 26 26 ALA HA H 103 4.054 4.054 3.931 0.123 18323 4731 1 13 . 1 1 26 26 ALA C C 103 181.535 181.535 179.516 2.019 18323 4732 1 13 . 1 1 26 26 ALA CA C 103 55.246 55.246 55.195 0.051 18323 4733 1 13 . 1 1 26 26 ALA CB C 103 18.328 18.328 18.301 0.027 18323 4734 1 13 . 1 1 26 26 ALA H H 103 8.317 8.317 7.847 0.470 18323 4735 1 13 . 1 1 27 27 GLU N N 104 120.419 120.419 118.447 1.972 18323 4736 1 13 . 1 1 27 27 GLU HA H 104 4.033 4.033 4.091 -0.058 18323 4737 1 13 . 1 1 27 27 GLU C C 104 178.950 178.950 178.940 0.010 18323 4738 1 13 . 1 1 27 27 GLU CA C 104 59.348 59.348 59.258 0.090 18323 4739 1 13 . 1 1 27 27 GLU CB C 104 28.876 28.876 29.326 -0.450 18323 4740 1 13 . 1 1 27 27 GLU H H 104 7.977 7.977 7.985 -0.008 18323 4741 1 13 . 1 1 28 28 LEU N N 105 120.658 120.658 119.172 1.486 18323 4742 1 13 . 1 1 28 28 LEU HA H 105 4.178 4.178 4.109 0.069 18323 4743 1 13 . 1 1 28 28 LEU C C 105 178.402 178.402 178.973 -0.571 18323 4744 1 13 . 1 1 28 28 LEU CA C 105 58.176 58.176 57.867 0.309 18323 4745 1 13 . 1 1 28 28 LEU CB C 105 41.768 41.768 41.397 0.371 18323 4746 1 13 . 1 1 28 28 LEU H H 105 8.500 8.500 7.343 1.157 18323 4747 1 13 . 1 1 29 29 ARG N N 106 117.807 117.807 117.632 0.175 18323 4748 1 13 . 1 1 29 29 ARG HA H 106 4.042 4.042 3.911 0.131 18323 4749 1 13 . 1 1 29 29 ARG C C 106 177.506 177.506 178.787 -1.281 18323 4750 1 13 . 1 1 29 29 ARG CA C 106 59.934 59.934 59.097 0.837 18323 4751 1 13 . 1 1 29 29 ARG CB C 106 30.634 30.634 29.289 1.345 18323 4752 1 13 . 1 1 29 29 ARG H H 106 8.727 8.727 7.466 1.261 18323 4753 1 13 . 1 1 30 30 HIS N N 107 119.849 119.849 119.416 0.433 18323 4754 1 13 . 1 1 30 30 HIS C C 107 177.862 177.862 177.889 -0.027 18323 4755 1 13 . 1 1 30 30 HIS CA C 107 59.934 59.934 58.840 1.094 18323 4756 1 13 . 1 1 30 30 HIS CB C 107 30.634 30.634 29.573 1.061 18323 4757 1 13 . 1 1 30 30 HIS H H 107 8.030 8.030 7.585 0.445 18323 4758 1 13 . 1 1 31 31 VAL N N 108 119.784 119.784 120.911 -1.127 18323 4759 1 13 . 1 1 31 31 VAL C C 108 178.437 178.437 178.074 0.363 18323 4760 1 13 . 1 1 31 31 VAL CA C 108 66.966 66.966 65.629 1.337 18323 4761 1 13 . 1 1 31 31 VAL CB C 108 31.806 31.806 31.066 0.740 18323 4762 1 13 . 1 1 31 31 VAL H H 108 8.322 8.322 8.314 0.008 18323 4763 1 13 . 1 1 32 32 MET N N 109 115.699 115.699 117.820 -2.121 18323 4764 1 13 . 1 1 32 32 MET HA H 109 4.343 4.343 4.070 0.273 18323 4765 1 13 . 1 1 32 32 MET C C 109 179.296 179.296 178.834 0.462 18323 4766 1 13 . 1 1 32 32 MET CA C 109 57.004 57.004 59.125 -2.121 18323 4767 1 13 . 1 1 32 32 MET CB C 109 29.462 29.462 31.389 -1.927 18323 4768 1 13 . 1 1 32 32 MET H H 109 8.397 8.397 8.499 -0.102 18323 4769 1 13 . 1 1 33 33 THR N N 110 116.362 116.362 115.847 0.515 18323 4770 1 13 . 1 1 33 33 THR C C 110 178.290 178.290 176.563 1.727 18323 4771 1 13 . 1 1 33 33 THR CA C 110 66.380 66.380 66.408 -0.028 18323 4772 1 13 . 1 1 33 33 THR CB C 110 68.724 68.724 68.476 0.248 18323 4773 1 13 . 1 1 33 33 THR H H 110 8.296 8.296 8.115 0.181 18323 4774 1 13 . 1 1 34 34 ASN N N 111 122.809 122.809 119.011 3.798 18323 4775 1 13 . 1 1 34 34 ASN HA H 111 4.619 4.619 4.533 0.086 18323 4776 1 13 . 1 1 34 34 ASN C C 111 176.698 176.698 177.209 -0.511 18323 4777 1 13 . 1 1 34 34 ASN CA C 111 55.832 55.832 55.339 0.493 18323 4778 1 13 . 1 1 34 34 ASN CB C 111 38.252 38.252 38.462 -0.209 18323 4779 1 13 . 1 1 34 34 ASN H H 111 7.936 7.936 8.093 -0.157 18323 4780 1 13 . 1 1 35 35 LEU N N 112 118.523 118.523 118.174 0.349 18323 4781 1 13 . 1 1 35 35 LEU HA H 112 4.322 4.322 4.110 0.212 18323 4782 1 13 . 1 1 35 35 LEU C C 112 177.205 177.205 178.085 -0.880 18323 4783 1 13 . 1 1 35 35 LEU CA C 112 55.246 55.246 56.629 -1.383 18323 4784 1 13 . 1 1 35 35 LEU CB C 112 42.354 42.354 42.468 -0.114 18323 4785 1 13 . 1 1 35 35 LEU H H 112 7.815 7.815 8.233 -0.418 18323 4786 1 13 . 1 1 36 36 GLY N N 113 107.203 107.203 104.955 2.248 18323 4787 1 13 . 1 1 36 36 GLY C C 113 174.354 174.354 174.238 0.116 18323 4788 1 13 . 1 1 36 36 GLY CA C 113 45.284 45.284 44.407 0.877 18323 4789 1 13 . 1 1 36 36 GLY H H 113 7.853 7.853 7.607 0.246 18323 4790 1 13 . 1 1 37 37 GLU N N 114 120.199 120.199 121.370 -1.171 18323 4791 1 13 . 1 1 37 37 GLU HA H 114 4.435 4.435 4.358 0.077 18323 4792 1 13 . 1 1 37 37 GLU C C 114 175.359 175.359 175.965 -0.606 18323 4793 1 13 . 1 1 37 37 GLU CA C 114 54.660 54.660 55.795 -1.135 18323 4794 1 13 . 1 1 37 37 GLU CB C 114 30.634 30.634 30.964 -0.330 18323 4795 1 13 . 1 1 37 37 GLU H H 114 7.909 7.909 7.848 0.061 18323 4796 1 13 . 1 1 38 38 LYS N N 115 124.425 124.425 123.570 0.855 18323 4797 1 13 . 1 1 38 38 LYS HA H 115 4.372 4.372 4.254 0.118 18323 4798 1 13 . 1 1 38 38 LYS C C 115 175.464 175.464 175.751 -0.287 18323 4799 1 13 . 1 1 38 38 LYS CA C 115 55.246 55.246 56.672 -1.426 18323 4800 1 13 . 1 1 38 38 LYS CB C 115 31.806 31.806 32.254 -0.448 18323 4801 1 13 . 1 1 38 38 LYS H H 115 8.642 8.642 8.481 0.161 18323 4802 1 13 . 1 1 39 39 LEU N N 116 125.258 125.258 125.324 -0.066 18323 4803 1 13 . 1 1 39 39 LEU HA H 116 4.742 4.742 4.578 0.164 18323 4804 1 13 . 1 1 39 39 LEU C C 116 178.351 178.351 175.970 2.381 18323 4805 1 13 . 1 1 39 39 LEU CA C 116 54.074 54.074 53.715 0.359 18323 4806 1 13 . 1 1 39 39 LEU CB C 116 44.112 44.112 45.278 -1.166 18323 4807 1 13 . 1 1 39 39 LEU H H 116 8.102 8.102 8.470 -0.368 18323 4808 1 13 . 1 1 40 40 THR N N 117 114.811 114.811 113.524 1.287 18323 4809 1 13 . 1 1 40 40 THR HA H 117 4.744 4.744 4.534 0.210 18323 4810 1 13 . 1 1 40 40 THR C C 117 175.522 175.522 174.985 0.537 18323 4811 1 13 . 1 1 40 40 THR CA C 117 60.520 60.520 60.540 -0.020 18323 4812 1 13 . 1 1 40 40 THR CB C 117 71.068 71.068 71.758 -0.690 18323 4813 1 13 . 1 1 40 40 THR H H 117 9.297 9.297 8.301 0.996 18323 4814 1 13 . 1 1 41 41 ASP N N 118 121.232 121.232 126.418 -5.186 18323 4815 1 13 . 1 1 41 41 ASP C C 118 178.644 178.644 178.134 0.510 18323 4816 1 13 . 1 1 41 41 ASP CA C 118 57.590 57.590 58.027 -0.437 18323 4817 1 13 . 1 1 41 41 ASP CB C 118 39.424 39.424 40.519 -1.095 18323 4818 1 13 . 1 1 41 41 ASP H H 118 8.967 8.967 8.981 -0.014 18323 4819 1 13 . 1 1 42 42 GLU N N 119 119.357 119.357 118.006 1.351 18323 4820 1 13 . 1 1 42 42 GLU HA H 119 4.051 4.051 4.028 0.023 18323 4821 1 13 . 1 1 42 42 GLU C C 119 178.847 178.847 178.914 -0.067 18323 4822 1 13 . 1 1 42 42 GLU CA C 119 59.934 59.934 59.059 0.875 18323 4823 1 13 . 1 1 42 42 GLU CB C 119 28.876 28.876 29.279 -0.403 18323 4824 1 13 . 1 1 42 42 GLU H H 119 8.679 8.679 8.571 0.108 18323 4825 1 13 . 1 1 43 43 GLU N N 120 118.761 118.761 120.814 -2.053 18323 4826 1 13 . 1 1 43 43 GLU HA H 120 4.003 4.003 4.142 -0.139 18323 4827 1 13 . 1 1 43 43 GLU C C 120 179.996 179.996 178.821 1.175 18323 4828 1 13 . 1 1 43 43 GLU CA C 120 59.348 59.348 58.836 0.512 18323 4829 1 13 . 1 1 43 43 GLU CB C 120 30.048 30.048 29.391 0.657 18323 4830 1 13 . 1 1 43 43 GLU H H 120 7.998 7.998 8.226 -0.228 18323 4831 1 13 . 1 1 44 44 VAL N N 121 121.165 121.165 121.068 0.097 18323 4832 1 13 . 1 1 44 44 VAL HA H 121 3.439 3.439 3.638 -0.199 18323 4833 1 13 . 1 1 44 44 VAL C C 121 177.489 177.489 177.772 -0.283 18323 4834 1 13 . 1 1 44 44 VAL CA C 121 66.966 66.966 67.494 -0.528 18323 4835 1 13 . 1 1 44 44 VAL CB C 121 31.220 31.220 31.578 -0.359 18323 4836 1 13 . 1 1 44 44 VAL H H 121 8.051 8.051 8.422 -0.371 18323 4837 1 13 . 1 1 45 45 ASP N N 122 119.507 119.507 118.424 1.083 18323 4838 1 13 . 1 1 45 45 ASP HA H 122 4.338 4.338 4.259 0.079 18323 4839 1 13 . 1 1 45 45 ASP C C 122 179.226 179.226 178.846 0.380 18323 4840 1 13 . 1 1 45 45 ASP CA C 122 57.590 57.590 57.541 0.049 18323 4841 1 13 . 1 1 45 45 ASP CB C 122 40.596 40.596 40.901 -0.305 18323 4842 1 13 . 1 1 45 45 ASP H H 122 8.092 8.092 7.995 0.097 18323 4843 1 13 . 1 1 46 46 GLU N N 123 119.871 119.871 119.275 0.596 18323 4844 1 13 . 1 1 46 46 GLU HA H 123 4.033 4.033 4.079 -0.045 18323 4845 1 13 . 1 1 46 46 GLU C C 123 178.612 178.612 178.766 -0.154 18323 4846 1 13 . 1 1 46 46 GLU CA C 123 59.348 59.348 58.459 0.889 18323 4847 1 13 . 1 1 46 46 GLU CB C 123 29.462 29.462 29.695 -0.234 18323 4848 1 13 . 1 1 46 46 GLU H H 123 8.131 8.131 7.612 0.519 18323 4849 1 13 . 1 1 47 47 MET N N 124 119.395 119.395 121.444 -2.049 18323 4850 1 13 . 1 1 47 47 MET CA C 124 60.520 60.520 59.992 0.528 18323 4851 1 13 . 1 1 47 47 MET CB C 124 32.978 32.978 32.704 0.274 18323 4852 1 13 . 1 1 47 47 MET H H 124 7.781 7.781 8.421 -0.640 18323 4853 1 13 . 1 1 48 48 ILE HA H 125 4.234 4.234 3.690 0.544 18323 4854 1 13 . 1 1 48 48 ILE C C 125 177.530 177.530 177.932 -0.402 18323 4855 1 13 . 1 1 48 48 ILE CA C 125 63.450 63.450 65.282 -1.832 18323 4856 1 13 . 1 1 48 48 ILE CB C 125 35.908 35.908 37.628 -1.720 18323 4857 1 13 . 1 1 49 49 ARG N N 126 118.403 118.403 119.231 -0.828 18323 4858 1 13 . 1 1 49 49 ARG HA H 126 4.105 4.105 3.931 0.174 18323 4859 1 13 . 1 1 49 49 ARG C C 126 178.928 178.928 178.129 0.799 18323 4860 1 13 . 1 1 49 49 ARG CA C 126 59.934 59.934 59.197 0.737 18323 4861 1 13 . 1 1 49 49 ARG CB C 126 30.414 30.414 29.696 0.718 18323 4862 1 13 . 1 1 49 49 ARG H H 126 8.555 8.555 7.634 0.921 18323 4863 1 13 . 1 1 50 50 GLU N N 127 116.347 116.347 117.296 -0.949 18323 4864 1 13 . 1 1 50 50 GLU HA H 127 4.039 4.039 4.154 -0.115 18323 4865 1 13 . 1 1 50 50 GLU C C 127 176.941 176.941 177.947 -1.006 18323 4866 1 13 . 1 1 50 50 GLU CA C 127 58.762 58.762 58.505 0.257 18323 4867 1 13 . 1 1 50 50 GLU CB C 127 30.048 30.048 30.057 -0.009 18323 4868 1 13 . 1 1 50 50 GLU H H 127 7.990 7.990 7.818 0.172 18323 4869 1 13 . 1 1 51 51 ALA N N 128 117.251 117.251 121.145 -3.894 18323 4870 1 13 . 1 1 51 51 ALA HA H 128 4.456 4.456 4.138 0.318 18323 4871 1 13 . 1 1 51 51 ALA C C 128 177.757 177.757 177.751 0.006 18323 4872 1 13 . 1 1 51 51 ALA CA C 128 51.730 51.730 53.490 -1.760 18323 4873 1 13 . 1 1 51 51 ALA CB C 128 21.844 21.844 19.442 2.402 18323 4874 1 13 . 1 1 51 51 ALA H H 128 7.126 7.126 7.579 -0.453 18323 4875 1 13 . 1 1 52 52 ASP N N 129 117.909 117.909 118.159 -0.250 18323 4876 1 13 . 1 1 52 52 ASP HA H 129 4.502 4.502 4.445 0.057 18323 4877 1 13 . 1 1 52 52 ASP C C 129 175.854 175.854 176.059 -0.205 18323 4878 1 13 . 1 1 52 52 ASP CA C 129 54.074 54.074 55.534 -1.460 18323 4879 1 13 . 1 1 52 52 ASP CB C 129 40.596 40.596 41.228 -0.632 18323 4880 1 13 . 1 1 52 52 ASP H H 129 7.962 7.962 8.352 -0.390 18323 4881 1 13 . 1 1 53 53 ILE N N 130 127.900 127.900 122.696 5.204 18323 4882 1 13 . 1 1 53 53 ILE C C 130 177.995 177.995 176.569 1.426 18323 4883 1 13 . 1 1 53 53 ILE CA C 130 63.450 63.450 61.486 1.964 18323 4884 1 13 . 1 1 53 53 ILE CB C 130 38.838 38.838 38.886 -0.048 18323 4885 1 13 . 1 1 53 53 ILE H H 130 8.261 8.261 8.029 0.232 18323 4886 1 13 . 1 1 54 54 ASP N N 131 116.678 116.678 118.684 -2.006 18323 4887 1 13 . 1 1 54 54 ASP HA H 131 4.541 4.541 4.715 -0.174 18323 4888 1 13 . 1 1 54 54 ASP C C 131 178.283 178.283 177.200 1.083 18323 4889 1 13 . 1 1 54 54 ASP CA C 131 54.074 54.074 54.398 -0.324 18323 4890 1 13 . 1 1 54 54 ASP CB C 131 40.010 40.010 42.657 -2.647 18323 4891 1 13 . 1 1 54 54 ASP H H 131 8.372 8.372 8.394 -0.022 18323 4892 1 13 . 1 1 55 55 GLY N N 132 108.866 108.866 109.824 -0.958 18323 4893 1 13 . 1 1 55 55 GLY C C 132 175.365 175.365 174.457 0.908 18323 4894 1 13 . 1 1 55 55 GLY CA C 132 47.628 47.628 46.017 1.611 18323 4895 1 13 . 1 1 55 55 GLY H H 132 7.679 7.679 8.871 -1.192 18323 4896 1 13 . 1 1 56 56 ASP N N 133 120.968 120.968 119.221 1.747 18323 4897 1 13 . 1 1 56 56 ASP HA H 133 4.493 4.493 4.664 -0.171 18323 4898 1 13 . 1 1 56 56 ASP C C 133 177.582 177.582 177.415 0.167 18323 4899 1 13 . 1 1 56 56 ASP CA C 133 53.488 53.488 52.789 0.699 18323 4900 1 13 . 1 1 56 56 ASP CB C 133 40.010 40.010 40.730 -0.720 18323 4901 1 13 . 1 1 56 56 ASP H H 133 8.415 8.415 8.015 0.400 18323 4902 1 13 . 1 1 57 57 GLY N N 134 112.821 112.821 108.837 3.984 18323 4903 1 13 . 1 1 57 57 GLY C C 134 172.847 172.847 173.190 -0.343 18323 4904 1 13 . 1 1 57 57 GLY CA C 134 45.870 45.870 46.120 -0.251 18323 4905 1 13 . 1 1 57 57 GLY H H 134 10.300 10.300 8.428 1.872 18323 4906 1 13 . 1 1 58 58 GLN N N 135 115.391 115.391 116.503 -1.112 18323 4907 1 13 . 1 1 58 58 GLN HA H 135 5.003 5.003 5.163 -0.160 18323 4908 1 13 . 1 1 58 58 GLN C C 135 175.019 175.019 174.344 0.675 18323 4909 1 13 . 1 1 58 58 GLN CA C 135 52.902 52.902 54.208 -1.306 18323 4910 1 13 . 1 1 58 58 GLN CB C 135 32.978 32.978 33.045 -0.067 18323 4911 1 13 . 1 1 58 58 GLN H H 135 8.022 8.022 7.256 0.766 18323 4912 1 13 . 1 1 59 59 VAL N N 136 125.596 125.596 119.288 6.308 18323 4913 1 13 . 1 1 59 59 VAL HA H 136 5.134 5.134 4.786 0.348 18323 4914 1 13 . 1 1 59 59 VAL C C 136 175.912 175.912 174.981 0.931 18323 4915 1 13 . 1 1 59 59 VAL CA C 136 61.613 61.613 59.190 2.423 18323 4916 1 13 . 1 1 59 59 VAL CB C 136 33.694 33.694 34.924 -1.230 18323 4917 1 13 . 1 1 59 59 VAL H H 136 9.176 9.176 8.410 0.766 18323 4918 1 13 . 1 1 60 60 ASN N N 137 129.229 129.229 123.396 5.833 18323 4919 1 13 . 1 1 60 60 ASN HA H 137 5.371 5.371 4.269 1.102 18323 4920 1 13 . 1 1 60 60 ASN C C 137 174.805 174.805 175.819 -1.014 18323 4921 1 13 . 1 1 60 60 ASN CA C 137 51.144 51.144 53.345 -2.201 18323 4922 1 13 . 1 1 60 60 ASN CB C 137 38.252 38.252 38.556 -0.304 18323 4923 1 13 . 1 1 60 60 ASN H H 137 9.576 9.576 8.132 1.444 18323 4924 1 13 . 1 1 61 61 TYR N N 138 118.597 118.597 117.026 1.571 18323 4925 1 13 . 1 1 61 61 TYR C C 138 176.119 176.119 177.917 -1.798 18323 4926 1 13 . 1 1 61 61 TYR CA C 138 62.278 62.278 61.415 0.863 18323 4927 1 13 . 1 1 61 61 TYR CB C 138 37.666 37.666 37.656 0.010 18323 4928 1 13 . 1 1 61 61 TYR H H 138 8.268 8.268 8.275 -0.007 18323 4929 1 13 . 1 1 62 62 GLU N N 139 118.441 118.441 120.184 -1.743 18323 4930 1 13 . 1 1 62 62 GLU HA H 139 4.123 4.123 4.215 -0.092 18323 4931 1 13 . 1 1 62 62 GLU C C 139 179.189 179.189 178.906 0.283 18323 4932 1 13 . 1 1 62 62 GLU CA C 139 59.934 59.934 59.858 0.076 18323 4933 1 13 . 1 1 62 62 GLU CB C 139 28.876 28.876 28.803 0.073 18323 4934 1 13 . 1 1 62 62 GLU H H 139 8.087 8.087 8.957 -0.870 18323 4935 1 13 . 1 1 63 63 GLU N N 140 120.992 120.992 117.425 3.567 18323 4936 1 13 . 1 1 63 63 GLU HA H 140 3.914 3.914 4.088 -0.174 18323 4937 1 13 . 1 1 63 63 GLU C C 140 179.328 179.328 178.447 0.881 18323 4938 1 13 . 1 1 63 63 GLU CA C 140 58.762 58.762 59.114 -0.352 18323 4939 1 13 . 1 1 63 63 GLU CB C 140 29.462 29.462 29.152 0.310 18323 4940 1 13 . 1 1 63 63 GLU H H 140 7.761 7.761 9.001 -1.240 18323 4941 1 13 . 1 1 64 64 PHE N N 141 123.798 123.798 118.166 5.632 18323 4942 1 13 . 1 1 64 64 PHE C C 141 176.843 176.843 177.135 -0.292 18323 4943 1 13 . 1 1 64 64 PHE CA C 141 61.692 61.692 60.352 1.340 18323 4944 1 13 . 1 1 64 64 PHE CB C 141 39.917 39.917 40.127 -0.210 18323 4945 1 13 . 1 1 64 64 PHE H H 141 8.529 8.529 7.577 0.952 18323 4946 1 13 . 1 1 65 65 VAL N N 142 119.218 119.218 116.381 2.837 18323 4947 1 13 . 1 1 65 65 VAL C C 142 179.497 179.497 177.574 1.923 18323 4948 1 13 . 1 1 65 65 VAL CA C 142 66.966 66.966 64.385 2.581 18323 4949 1 13 . 1 1 65 65 VAL CB C 142 31.220 31.220 30.781 0.439 18323 4950 1 13 . 1 1 65 65 VAL H H 142 8.672 8.672 8.283 0.389 18323 4951 1 13 . 1 1 66 66 GLN N N 143 118.362 118.362 120.456 -2.094 18323 4952 1 13 . 1 1 66 66 GLN HA H 143 3.845 3.845 3.956 -0.111 18323 4953 1 13 . 1 1 66 66 GLN C C 143 177.881 177.881 178.312 -0.431 18323 4954 1 13 . 1 1 66 66 GLN CA C 143 58.762 58.762 58.895 -0.133 18323 4955 1 13 . 1 1 66 66 GLN CB C 143 27.704 27.704 28.822 -1.118 18323 4956 1 13 . 1 1 66 66 GLN H H 143 7.550 7.550 8.141 -0.591 18323 4957 1 13 . 1 1 67 67 MET N N 144 116.720 116.720 114.737 1.983 18323 4958 1 13 . 1 1 67 67 MET C C 144 177.803 177.803 177.136 0.667 18323 4959 1 13 . 1 1 67 67 MET CA C 144 56.418 56.418 56.166 0.252 18323 4960 1 13 . 1 1 67 67 MET CB C 144 31.806 31.806 32.622 -0.816 18323 4961 1 13 . 1 1 67 67 MET H H 144 7.300 7.300 7.340 -0.040 18323 4962 1 13 . 1 1 68 68 MET N N 145 116.116 116.116 117.799 -1.683 18323 4963 1 13 . 1 1 68 68 MET HA H 145 4.115 4.115 3.887 0.228 18323 4964 1 13 . 1 1 68 68 MET C C 145 177.203 177.203 177.528 -0.325 18323 4965 1 13 . 1 1 68 68 MET CA C 145 56.418 56.418 58.649 -2.231 18323 4966 1 13 . 1 1 68 68 MET CB C 145 31.806 31.806 32.590 -0.784 18323 4967 1 13 . 1 1 68 68 MET H H 145 7.732 7.732 7.965 -0.233 18323 4968 1 13 . 1 1 69 69 THR N N 146 108.868 108.868 110.175 -1.307 18323 4969 1 13 . 1 1 69 69 THR HA H 146 4.288 4.288 4.215 0.073 18323 4970 1 13 . 1 1 69 69 THR C C 146 174.154 174.154 175.235 -1.081 18323 4971 1 13 . 1 1 69 69 THR CA C 146 61.692 61.692 63.982 -2.290 18323 4972 1 13 . 1 1 69 69 THR CB C 146 69.896 69.896 68.744 1.152 18323 4973 1 13 . 1 1 69 69 THR H H 146 7.649 7.649 8.198 -0.549 18323 4974 1 13 . 1 1 70 70 ALA N N 147 126.934 126.934 125.316 1.618 18323 4975 1 13 . 1 1 70 70 ALA HA H 147 4.287 4.287 4.399 -0.112 18323 4976 1 13 . 1 1 70 70 ALA C C 147 176.686 176.686 176.304 0.382 18323 4977 1 13 . 1 1 70 70 ALA CA C 147 52.902 52.902 51.466 1.436 18323 4978 1 13 . 1 1 70 70 ALA CB C 147 18.914 18.914 18.460 0.454 18323 4979 1 13 . 1 1 70 70 ALA H H 147 7.546 7.546 8.217 -0.671 18323 4980 1 14 . 1 1 2 2 THR N N 79 114.287 114.287 118.247 -3.960 18323 4981 1 14 . 1 1 2 2 THR HA H 79 4.281 4.281 4.539 -0.258 18323 4982 1 14 . 1 1 2 2 THR C C 79 174.598 174.598 174.442 0.156 18323 4983 1 14 . 1 1 2 2 THR CA C 79 62.278 62.278 61.791 0.487 18323 4984 1 14 . 1 1 2 2 THR CB C 79 69.310 69.310 70.329 -1.018 18323 4985 1 14 . 1 1 2 2 THR H H 79 8.299 8.299 7.862 0.437 18323 4986 1 14 . 1 1 3 3 ASP N N 80 122.311 122.311 125.854 -3.543 18323 4987 1 14 . 1 1 3 3 ASP C C 80 176.788 176.788 177.178 -0.390 18323 4988 1 14 . 1 1 3 3 ASP CA C 80 54.660 54.660 55.370 -0.710 18323 4989 1 14 . 1 1 3 3 ASP CB C 80 41.182 41.182 41.267 -0.085 18323 4990 1 14 . 1 1 3 3 ASP H H 80 8.447 8.447 8.840 -0.393 18323 4991 1 14 . 1 1 4 4 SER N N 81 116.934 116.934 114.627 2.307 18323 4992 1 14 . 1 1 4 4 SER HA H 81 4.022 4.022 3.952 0.070 18323 4993 1 14 . 1 1 4 4 SER C C 81 175.337 175.337 175.805 -0.468 18323 4994 1 14 . 1 1 4 4 SER CA C 81 58.762 58.762 60.556 -1.794 18323 4995 1 14 . 1 1 4 4 SER CB C 81 64.036 64.036 62.680 1.356 18323 4996 1 14 . 1 1 4 4 SER H H 81 8.351 8.351 8.266 0.085 18323 4997 1 14 . 1 1 5 5 GLU N N 82 123.423 123.423 124.289 -0.866 18323 4998 1 14 . 1 1 5 5 GLU HA H 82 4.112 4.112 3.918 0.194 18323 4999 1 14 . 1 1 5 5 GLU C C 82 178.067 178.067 178.592 -0.525 18323 5000 1 14 . 1 1 5 5 GLU CA C 82 59.348 59.348 59.402 -0.054 18323 5001 1 14 . 1 1 5 5 GLU CB C 82 46.749 46.749 29.573 17.176 18323 5002 1 14 . 1 1 5 5 GLU H H 82 8.588 8.588 8.918 -0.330 18323 5003 1 14 . 1 1 6 6 GLU N N 83 118.987 118.987 118.034 0.953 18323 5004 1 14 . 1 1 6 6 GLU CA C 83 59.348 59.348 59.026 0.322 18323 5005 1 14 . 1 1 6 6 GLU CB C 83 29.462 29.462 29.461 0.001 18323 5006 1 14 . 1 1 6 6 GLU H H 83 8.412 8.412 8.317 0.095 18323 5007 1 14 . 1 1 7 7 GLU HA H 84 4.116 4.116 4.083 0.033 18323 5008 1 14 . 1 1 7 7 GLU C C 84 178.969 178.969 179.001 -0.032 18323 5009 1 14 . 1 1 7 7 GLU CA C 84 59.348 59.348 59.206 0.142 18323 5010 1 14 . 1 1 7 7 GLU CB C 84 29.462 29.462 28.936 0.526 18323 5011 1 14 . 1 1 8 8 ILE N N 85 121.839 121.839 118.473 3.366 18323 5012 1 14 . 1 1 8 8 ILE HA H 85 3.917 3.917 3.748 0.169 18323 5013 1 14 . 1 1 8 8 ILE C C 85 178.283 178.283 178.746 -0.463 18323 5014 1 14 . 1 1 8 8 ILE CA C 85 65.208 65.208 65.296 -0.088 18323 5015 1 14 . 1 1 8 8 ILE CB C 85 37.080 37.080 37.767 -0.687 18323 5016 1 14 . 1 1 8 8 ILE H H 85 8.001 8.001 7.697 0.304 18323 5017 1 14 . 1 1 9 9 ARG N N 86 121.328 121.328 120.091 1.237 18323 5018 1 14 . 1 1 9 9 ARG HA H 86 4.260 4.260 4.142 0.118 18323 5019 1 14 . 1 1 9 9 ARG C C 86 179.291 179.291 178.830 0.461 18323 5020 1 14 . 1 1 9 9 ARG CA C 86 59.934 59.934 59.736 0.198 18323 5021 1 14 . 1 1 9 9 ARG CB C 86 29.462 29.462 29.907 -0.445 18323 5022 1 14 . 1 1 9 9 ARG H H 86 8.544 8.544 7.620 0.924 18323 5023 1 14 . 1 1 10 10 GLU N N 87 118.332 118.332 117.312 1.020 18323 5024 1 14 . 1 1 10 10 GLU HA H 87 4.116 4.116 4.274 -0.158 18323 5025 1 14 . 1 1 10 10 GLU C C 87 179.498 179.498 178.052 1.446 18323 5026 1 14 . 1 1 10 10 GLU CA C 87 59.348 59.348 58.012 1.336 18323 5027 1 14 . 1 1 10 10 GLU CB C 87 29.462 29.462 29.218 0.244 18323 5028 1 14 . 1 1 10 10 GLU H H 87 8.225 8.225 7.985 0.240 18323 5029 1 14 . 1 1 11 11 ALA N N 88 121.839 121.839 123.752 -1.913 18323 5030 1 14 . 1 1 11 11 ALA HA H 88 4.243 4.243 4.147 0.096 18323 5031 1 14 . 1 1 11 11 ALA C C 88 176.715 176.715 179.170 -2.455 18323 5032 1 14 . 1 1 11 11 ALA CA C 88 55.246 55.246 55.007 0.239 18323 5033 1 14 . 1 1 11 11 ALA CB C 88 18.136 18.136 18.620 -0.484 18323 5034 1 14 . 1 1 11 11 ALA H H 88 8.001 8.001 8.263 -0.262 18323 5035 1 14 . 1 1 12 12 PHE N N 89 118.794 118.794 118.115 0.679 18323 5036 1 14 . 1 1 12 12 PHE HA H 89 4.934 4.934 4.114 0.820 18323 5037 1 14 . 1 1 12 12 PHE C C 89 177.370 177.370 177.892 -0.522 18323 5038 1 14 . 1 1 12 12 PHE CA C 89 62.278 62.278 62.230 0.048 18323 5039 1 14 . 1 1 12 12 PHE CB C 89 39.424 39.424 38.495 0.929 18323 5040 1 14 . 1 1 12 12 PHE H H 89 8.630 8.630 7.949 0.681 18323 5041 1 14 . 1 1 13 13 ARG N N 90 115.837 115.837 117.862 -2.025 18323 5042 1 14 . 1 1 13 13 ARG HA H 90 3.862 3.862 4.027 -0.165 18323 5043 1 14 . 1 1 13 13 ARG C C 90 177.590 177.590 178.359 -0.769 18323 5044 1 14 . 1 1 13 13 ARG CA C 90 58.762 58.762 58.045 0.717 18323 5045 1 14 . 1 1 13 13 ARG CB C 90 30.048 30.048 28.965 1.083 18323 5046 1 14 . 1 1 13 13 ARG H H 90 7.891 7.891 7.821 0.070 18323 5047 1 14 . 1 1 14 14 VAL N N 91 118.382 118.382 116.170 2.212 18323 5048 1 14 . 1 1 14 14 VAL C C 91 176.343 176.343 177.240 -0.897 18323 5049 1 14 . 1 1 14 14 VAL CA C 91 65.794 65.794 65.258 0.536 18323 5050 1 14 . 1 1 14 14 VAL CB C 91 31.220 31.220 31.222 -0.002 18323 5051 1 14 . 1 1 14 14 VAL H H 91 7.407 7.407 7.701 -0.294 18323 5052 1 14 . 1 1 15 15 PHE N N 92 114.257 114.257 117.352 -3.095 18323 5053 1 14 . 1 1 15 15 PHE HA H 92 4.661 4.661 4.195 0.466 18323 5054 1 14 . 1 1 15 15 PHE C C 92 176.378 176.378 177.827 -1.449 18323 5055 1 14 . 1 1 15 15 PHE CA C 92 59.934 59.934 60.675 -0.741 18323 5056 1 14 . 1 1 15 15 PHE CB C 92 41.182 41.182 38.681 2.501 18323 5057 1 14 . 1 1 15 15 PHE H H 92 6.892 6.892 7.224 -0.332 18323 5058 1 14 . 1 1 16 16 ASP N N 93 116.288 116.288 119.217 -2.929 18323 5059 1 14 . 1 1 16 16 ASP HA H 93 4.617 4.617 4.755 -0.138 18323 5060 1 14 . 1 1 16 16 ASP C C 93 177.695 177.695 177.287 0.408 18323 5061 1 14 . 1 1 16 16 ASP CA C 93 51.730 51.730 53.380 -1.650 18323 5062 1 14 . 1 1 16 16 ASP CB C 93 38.838 38.838 38.805 0.033 18323 5063 1 14 . 1 1 16 16 ASP H H 93 7.847 7.847 8.598 -0.751 18323 5064 1 14 . 1 1 17 17 LYS N N 94 125.440 125.440 120.657 4.783 18323 5065 1 14 . 1 1 17 17 LYS HA H 94 3.889 3.889 3.976 -0.087 18323 5066 1 14 . 1 1 17 17 LYS C C 94 178.290 178.290 177.358 0.932 18323 5067 1 14 . 1 1 17 17 LYS CA C 94 58.762 58.762 59.257 -0.495 18323 5068 1 14 . 1 1 17 17 LYS CB C 94 32.392 32.392 32.546 -0.154 18323 5069 1 14 . 1 1 17 17 LYS H H 94 7.662 7.662 8.325 -0.663 18323 5070 1 14 . 1 1 18 18 ASP N N 95 114.292 114.292 116.542 -2.250 18323 5071 1 14 . 1 1 18 18 ASP HA H 95 4.567 4.567 4.553 0.014 18323 5072 1 14 . 1 1 18 18 ASP C C 95 177.826 177.826 176.524 1.302 18323 5073 1 14 . 1 1 18 18 ASP CA C 95 52.902 52.902 53.554 -0.652 18323 5074 1 14 . 1 1 18 18 ASP CB C 95 39.424 39.424 39.976 -0.552 18323 5075 1 14 . 1 1 18 18 ASP H H 95 8.336 8.336 8.057 0.279 18323 5076 1 14 . 1 1 19 19 GLY N N 96 109.374 109.374 107.070 2.304 18323 5077 1 14 . 1 1 19 19 GLY C C 96 175.145 175.145 175.349 -0.204 18323 5078 1 14 . 1 1 19 19 GLY CA C 96 47.042 47.042 46.230 0.812 18323 5079 1 14 . 1 1 19 19 GLY H H 96 7.797 7.797 7.658 0.139 18323 5080 1 14 . 1 1 20 20 ASN N N 97 119.964 119.964 117.601 2.363 18323 5081 1 14 . 1 1 20 20 ASN HA H 97 4.670 4.670 4.665 0.005 18323 5082 1 14 . 1 1 20 20 ASN C C 97 176.120 176.120 176.638 -0.518 18323 5083 1 14 . 1 1 20 20 ASN CA C 97 52.316 52.316 52.330 -0.014 18323 5084 1 14 . 1 1 20 20 ASN CB C 97 38.252 38.252 38.752 -0.500 18323 5085 1 14 . 1 1 20 20 ASN H H 97 8.430 8.430 8.403 0.027 18323 5086 1 14 . 1 1 21 21 GLY N N 98 112.726 112.726 107.489 5.237 18323 5087 1 14 . 1 1 21 21 GLY C C 98 172.751 172.751 172.680 0.071 18323 5088 1 14 . 1 1 21 21 GLY CA C 98 44.698 44.698 45.844 -1.146 18323 5089 1 14 . 1 1 21 21 GLY H H 98 10.638 10.638 8.627 2.011 18323 5090 1 14 . 1 1 22 22 TYR N N 99 116.415 116.415 115.660 0.755 18323 5091 1 14 . 1 1 22 22 TYR C C 99 174.795 174.795 173.661 1.134 18323 5092 1 14 . 1 1 22 22 TYR CA C 99 56.418 56.418 56.417 0.001 18323 5093 1 14 . 1 1 22 22 TYR CB C 99 42.940 42.940 41.755 1.185 18323 5094 1 14 . 1 1 22 22 TYR H H 99 7.708 7.708 7.247 0.461 18323 5095 1 14 . 1 1 23 23 ILE N N 100 127.488 127.488 119.912 7.576 18323 5096 1 14 . 1 1 23 23 ILE C C 100 175.543 175.543 175.373 0.170 18323 5097 1 14 . 1 1 23 23 ILE CA C 100 61.106 61.106 59.563 1.543 18323 5098 1 14 . 1 1 23 23 ILE CB C 100 39.424 39.424 38.635 0.789 18323 5099 1 14 . 1 1 23 23 ILE H H 100 10.197 10.197 8.542 1.655 18323 5100 1 14 . 1 1 24 24 SER N N 101 123.860 123.860 121.728 2.132 18323 5101 1 14 . 1 1 24 24 SER HA H 101 4.973 4.973 4.854 0.119 18323 5102 1 14 . 1 1 24 24 SER C C 101 175.300 175.300 175.529 -0.229 18323 5103 1 14 . 1 1 24 24 SER CA C 101 55.832 55.832 56.349 -0.517 18323 5104 1 14 . 1 1 24 24 SER CB C 101 66.966 66.966 66.219 0.747 18323 5105 1 14 . 1 1 24 24 SER H H 101 8.998 8.998 7.907 1.091 18323 5106 1 14 . 1 1 25 25 ALA N N 102 123.328 123.328 126.150 -2.822 18323 5107 1 14 . 1 1 25 25 ALA HA H 102 3.938 3.938 4.122 -0.184 18323 5108 1 14 . 1 1 25 25 ALA C C 102 179.324 179.324 178.842 0.482 18323 5109 1 14 . 1 1 25 25 ALA CA C 102 55.832 55.832 55.081 0.751 18323 5110 1 14 . 1 1 25 25 ALA CB C 102 17.742 17.742 18.675 -0.933 18323 5111 1 14 . 1 1 25 25 ALA H H 102 9.377 9.377 8.960 0.417 18323 5112 1 14 . 1 1 26 26 ALA N N 103 118.536 118.536 119.763 -1.227 18323 5113 1 14 . 1 1 26 26 ALA HA H 103 4.054 4.054 4.039 0.015 18323 5114 1 14 . 1 1 26 26 ALA C C 103 181.535 181.535 179.835 1.700 18323 5115 1 14 . 1 1 26 26 ALA CA C 103 55.246 55.246 54.988 0.258 18323 5116 1 14 . 1 1 26 26 ALA CB C 103 18.328 18.328 18.457 -0.129 18323 5117 1 14 . 1 1 26 26 ALA H H 103 8.317 8.317 7.969 0.348 18323 5118 1 14 . 1 1 27 27 GLU N N 104 120.419 120.419 118.288 2.131 18323 5119 1 14 . 1 1 27 27 GLU HA H 104 4.033 4.033 4.157 -0.124 18323 5120 1 14 . 1 1 27 27 GLU C C 104 178.950 178.950 178.869 0.081 18323 5121 1 14 . 1 1 27 27 GLU CA C 104 59.348 59.348 59.286 0.062 18323 5122 1 14 . 1 1 27 27 GLU CB C 104 28.876 28.876 29.502 -0.626 18323 5123 1 14 . 1 1 27 27 GLU H H 104 7.977 7.977 8.145 -0.168 18323 5124 1 14 . 1 1 28 28 LEU N N 105 120.658 120.658 119.112 1.546 18323 5125 1 14 . 1 1 28 28 LEU HA H 105 4.178 4.178 4.341 -0.163 18323 5126 1 14 . 1 1 28 28 LEU C C 105 178.402 178.402 179.070 -0.668 18323 5127 1 14 . 1 1 28 28 LEU CA C 105 58.176 58.176 57.930 0.246 18323 5128 1 14 . 1 1 28 28 LEU CB C 105 41.768 41.768 41.367 0.401 18323 5129 1 14 . 1 1 28 28 LEU H H 105 8.500 8.500 7.352 1.148 18323 5130 1 14 . 1 1 29 29 ARG N N 106 117.807 117.807 118.547 -0.740 18323 5131 1 14 . 1 1 29 29 ARG HA H 106 4.042 4.042 3.916 0.126 18323 5132 1 14 . 1 1 29 29 ARG C C 106 177.506 177.506 178.478 -0.972 18323 5133 1 14 . 1 1 29 29 ARG CA C 106 59.934 59.934 59.344 0.590 18323 5134 1 14 . 1 1 29 29 ARG CB C 106 30.634 30.634 29.428 1.206 18323 5135 1 14 . 1 1 29 29 ARG H H 106 8.727 8.727 7.631 1.096 18323 5136 1 14 . 1 1 30 30 HIS N N 107 119.849 119.849 119.382 0.467 18323 5137 1 14 . 1 1 30 30 HIS C C 107 177.862 177.862 178.045 -0.183 18323 5138 1 14 . 1 1 30 30 HIS CA C 107 59.934 59.934 59.379 0.555 18323 5139 1 14 . 1 1 30 30 HIS CB C 107 30.634 30.634 29.884 0.750 18323 5140 1 14 . 1 1 30 30 HIS H H 107 8.030 8.030 7.577 0.453 18323 5141 1 14 . 1 1 31 31 VAL N N 108 119.784 119.784 119.818 -0.034 18323 5142 1 14 . 1 1 31 31 VAL C C 108 178.437 178.437 177.629 0.808 18323 5143 1 14 . 1 1 31 31 VAL CA C 108 66.966 66.966 66.232 0.734 18323 5144 1 14 . 1 1 31 31 VAL CB C 108 31.806 31.806 31.770 0.036 18323 5145 1 14 . 1 1 31 31 VAL H H 108 8.322 8.322 8.155 0.167 18323 5146 1 14 . 1 1 32 32 MET N N 109 115.699 115.699 117.794 -2.095 18323 5147 1 14 . 1 1 32 32 MET HA H 109 4.343 4.343 4.089 0.254 18323 5148 1 14 . 1 1 32 32 MET C C 109 179.296 179.296 178.698 0.598 18323 5149 1 14 . 1 1 32 32 MET CA C 109 57.004 57.004 59.005 -2.001 18323 5150 1 14 . 1 1 32 32 MET CB C 109 29.462 29.462 31.740 -2.278 18323 5151 1 14 . 1 1 32 32 MET H H 109 8.397 8.397 8.479 -0.082 18323 5152 1 14 . 1 1 33 33 THR N N 110 116.362 116.362 115.804 0.558 18323 5153 1 14 . 1 1 33 33 THR C C 110 178.290 178.290 176.571 1.719 18323 5154 1 14 . 1 1 33 33 THR CA C 110 66.380 66.380 66.207 0.173 18323 5155 1 14 . 1 1 33 33 THR CB C 110 68.724 68.724 68.683 0.041 18323 5156 1 14 . 1 1 33 33 THR H H 110 8.296 8.296 8.025 0.271 18323 5157 1 14 . 1 1 34 34 ASN N N 111 122.809 122.809 119.416 3.393 18323 5158 1 14 . 1 1 34 34 ASN HA H 111 4.619 4.619 4.509 0.110 18323 5159 1 14 . 1 1 34 34 ASN C C 111 176.698 176.698 177.296 -0.598 18323 5160 1 14 . 1 1 34 34 ASN CA C 111 55.832 55.832 55.504 0.328 18323 5161 1 14 . 1 1 34 34 ASN CB C 111 38.252 38.252 38.361 -0.109 18323 5162 1 14 . 1 1 34 34 ASN H H 111 7.936 7.936 8.108 -0.172 18323 5163 1 14 . 1 1 35 35 LEU N N 112 118.523 118.523 118.177 0.346 18323 5164 1 14 . 1 1 35 35 LEU HA H 112 4.322 4.322 4.089 0.233 18323 5165 1 14 . 1 1 35 35 LEU C C 112 177.205 177.205 177.981 -0.776 18323 5166 1 14 . 1 1 35 35 LEU CA C 112 55.246 55.246 56.494 -1.248 18323 5167 1 14 . 1 1 35 35 LEU CB C 112 42.354 42.354 42.500 -0.146 18323 5168 1 14 . 1 1 35 35 LEU H H 112 7.815 7.815 8.126 -0.311 18323 5169 1 14 . 1 1 36 36 GLY N N 113 107.203 107.203 104.006 3.197 18323 5170 1 14 . 1 1 36 36 GLY C C 113 174.354 174.354 174.714 -0.360 18323 5171 1 14 . 1 1 36 36 GLY CA C 113 45.284 45.284 44.521 0.763 18323 5172 1 14 . 1 1 36 36 GLY H H 113 7.853 7.853 7.597 0.256 18323 5173 1 14 . 1 1 37 37 GLU N N 114 120.199 120.199 121.323 -1.124 18323 5174 1 14 . 1 1 37 37 GLU HA H 114 4.435 4.435 4.285 0.150 18323 5175 1 14 . 1 1 37 37 GLU C C 114 175.359 175.359 175.934 -0.575 18323 5176 1 14 . 1 1 37 37 GLU CA C 114 54.660 54.660 56.136 -1.476 18323 5177 1 14 . 1 1 37 37 GLU CB C 114 30.634 30.634 30.458 0.176 18323 5178 1 14 . 1 1 37 37 GLU H H 114 7.909 7.909 7.649 0.260 18323 5179 1 14 . 1 1 38 38 LYS N N 115 124.425 124.425 122.010 2.415 18323 5180 1 14 . 1 1 38 38 LYS HA H 115 4.372 4.372 4.488 -0.116 18323 5181 1 14 . 1 1 38 38 LYS C C 115 175.464 175.464 175.582 -0.118 18323 5182 1 14 . 1 1 38 38 LYS CA C 115 55.246 55.246 55.463 -0.217 18323 5183 1 14 . 1 1 38 38 LYS CB C 115 31.806 31.806 32.315 -0.509 18323 5184 1 14 . 1 1 38 38 LYS H H 115 8.642 8.642 8.502 0.140 18323 5185 1 14 . 1 1 39 39 LEU N N 116 125.258 125.258 120.648 4.610 18323 5186 1 14 . 1 1 39 39 LEU HA H 116 4.742 4.742 4.369 0.373 18323 5187 1 14 . 1 1 39 39 LEU C C 116 178.351 178.351 177.674 0.677 18323 5188 1 14 . 1 1 39 39 LEU CA C 116 54.074 54.074 55.016 -0.941 18323 5189 1 14 . 1 1 39 39 LEU CB C 116 44.112 44.112 42.351 1.761 18323 5190 1 14 . 1 1 39 39 LEU H H 116 8.102 8.102 7.896 0.206 18323 5191 1 14 . 1 1 40 40 THR N N 117 114.811 114.811 112.736 2.075 18323 5192 1 14 . 1 1 40 40 THR HA H 117 4.744 4.744 4.584 0.160 18323 5193 1 14 . 1 1 40 40 THR C C 117 175.522 175.522 174.983 0.539 18323 5194 1 14 . 1 1 40 40 THR CA C 117 60.520 60.520 60.434 0.085 18323 5195 1 14 . 1 1 40 40 THR CB C 117 71.068 71.068 71.417 -0.349 18323 5196 1 14 . 1 1 40 40 THR H H 117 9.297 9.297 8.365 0.932 18323 5197 1 14 . 1 1 41 41 ASP N N 118 121.232 121.232 124.676 -3.444 18323 5198 1 14 . 1 1 41 41 ASP C C 118 178.644 178.644 178.229 0.415 18323 5199 1 14 . 1 1 41 41 ASP CA C 118 57.590 57.590 58.010 -0.420 18323 5200 1 14 . 1 1 41 41 ASP CB C 118 39.424 39.424 40.412 -0.988 18323 5201 1 14 . 1 1 41 41 ASP H H 118 8.967 8.967 8.981 -0.014 18323 5202 1 14 . 1 1 42 42 GLU N N 119 119.357 119.357 118.670 0.687 18323 5203 1 14 . 1 1 42 42 GLU HA H 119 4.051 4.051 4.041 0.010 18323 5204 1 14 . 1 1 42 42 GLU C C 119 178.847 178.847 179.011 -0.164 18323 5205 1 14 . 1 1 42 42 GLU CA C 119 59.934 59.934 59.184 0.749 18323 5206 1 14 . 1 1 42 42 GLU CB C 119 28.876 28.876 29.216 -0.340 18323 5207 1 14 . 1 1 42 42 GLU H H 119 8.679 8.679 8.668 0.011 18323 5208 1 14 . 1 1 43 43 GLU N N 120 118.761 118.761 119.508 -0.747 18323 5209 1 14 . 1 1 43 43 GLU HA H 120 4.003 4.003 4.038 -0.035 18323 5210 1 14 . 1 1 43 43 GLU C C 120 179.996 179.996 178.769 1.227 18323 5211 1 14 . 1 1 43 43 GLU CA C 120 59.348 59.348 59.202 0.146 18323 5212 1 14 . 1 1 43 43 GLU CB C 120 30.048 30.048 29.533 0.515 18323 5213 1 14 . 1 1 43 43 GLU H H 120 7.998 7.998 8.127 -0.129 18323 5214 1 14 . 1 1 44 44 VAL N N 121 121.165 121.165 121.195 -0.030 18323 5215 1 14 . 1 1 44 44 VAL HA H 121 3.439 3.439 3.490 -0.051 18323 5216 1 14 . 1 1 44 44 VAL C C 121 177.489 177.489 177.421 0.068 18323 5217 1 14 . 1 1 44 44 VAL CA C 121 66.966 66.966 67.349 -0.383 18323 5218 1 14 . 1 1 44 44 VAL CB C 121 31.220 31.220 31.844 -0.624 18323 5219 1 14 . 1 1 44 44 VAL H H 121 8.051 8.051 8.637 -0.586 18323 5220 1 14 . 1 1 45 45 ASP N N 122 119.507 119.507 118.028 1.479 18323 5221 1 14 . 1 1 45 45 ASP HA H 122 4.338 4.338 4.245 0.093 18323 5222 1 14 . 1 1 45 45 ASP C C 122 179.226 179.226 178.646 0.580 18323 5223 1 14 . 1 1 45 45 ASP CA C 122 57.590 57.590 57.370 0.220 18323 5224 1 14 . 1 1 45 45 ASP CB C 122 40.596 40.596 40.657 -0.061 18323 5225 1 14 . 1 1 45 45 ASP H H 122 8.092 8.092 7.843 0.249 18323 5226 1 14 . 1 1 46 46 GLU N N 123 119.871 119.871 119.230 0.641 18323 5227 1 14 . 1 1 46 46 GLU HA H 123 4.033 4.033 4.172 -0.139 18323 5228 1 14 . 1 1 46 46 GLU C C 123 178.612 178.612 178.519 0.093 18323 5229 1 14 . 1 1 46 46 GLU CA C 123 59.348 59.348 58.127 1.221 18323 5230 1 14 . 1 1 46 46 GLU CB C 123 29.462 29.462 29.612 -0.150 18323 5231 1 14 . 1 1 46 46 GLU H H 123 8.131 8.131 7.455 0.676 18323 5232 1 14 . 1 1 47 47 MET N N 124 119.395 119.395 120.805 -1.410 18323 5233 1 14 . 1 1 47 47 MET CA C 124 60.520 60.520 59.776 0.744 18323 5234 1 14 . 1 1 47 47 MET CB C 124 32.978 32.978 32.481 0.497 18323 5235 1 14 . 1 1 47 47 MET H H 124 7.781 7.781 8.224 -0.443 18323 5236 1 14 . 1 1 48 48 ILE HA H 125 4.234 4.234 3.563 0.671 18323 5237 1 14 . 1 1 48 48 ILE C C 125 177.530 177.530 177.217 0.313 18323 5238 1 14 . 1 1 48 48 ILE CA C 125 63.450 63.450 64.726 -1.276 18323 5239 1 14 . 1 1 48 48 ILE CB C 125 35.908 35.908 37.667 -1.759 18323 5240 1 14 . 1 1 49 49 ARG N N 126 118.403 118.403 117.125 1.278 18323 5241 1 14 . 1 1 49 49 ARG HA H 126 4.105 4.105 3.947 0.158 18323 5242 1 14 . 1 1 49 49 ARG C C 126 178.928 178.928 179.522 -0.594 18323 5243 1 14 . 1 1 49 49 ARG CA C 126 59.934 59.934 58.943 0.991 18323 5244 1 14 . 1 1 49 49 ARG CB C 126 30.414 30.414 29.708 0.706 18323 5245 1 14 . 1 1 49 49 ARG H H 126 8.555 8.555 7.555 1.000 18323 5246 1 14 . 1 1 50 50 GLU N N 127 116.347 116.347 118.337 -1.990 18323 5247 1 14 . 1 1 50 50 GLU HA H 127 4.039 4.039 4.142 -0.103 18323 5248 1 14 . 1 1 50 50 GLU C C 127 176.941 176.941 177.247 -0.306 18323 5249 1 14 . 1 1 50 50 GLU CA C 127 58.762 58.762 58.476 0.286 18323 5250 1 14 . 1 1 50 50 GLU CB C 127 30.048 30.048 29.883 0.165 18323 5251 1 14 . 1 1 50 50 GLU H H 127 7.990 7.990 7.819 0.171 18323 5252 1 14 . 1 1 51 51 ALA N N 128 117.251 117.251 119.067 -1.816 18323 5253 1 14 . 1 1 51 51 ALA HA H 128 4.456 4.456 4.362 0.094 18323 5254 1 14 . 1 1 51 51 ALA C C 128 177.757 177.757 176.096 1.661 18323 5255 1 14 . 1 1 51 51 ALA CA C 128 51.730 51.730 51.408 0.322 18323 5256 1 14 . 1 1 51 51 ALA CB C 128 21.844 21.844 19.168 2.676 18323 5257 1 14 . 1 1 51 51 ALA H H 128 7.126 7.126 7.359 -0.233 18323 5258 1 14 . 1 1 52 52 ASP N N 129 117.909 117.909 119.278 -1.369 18323 5259 1 14 . 1 1 52 52 ASP HA H 129 4.502 4.502 4.737 -0.235 18323 5260 1 14 . 1 1 52 52 ASP C C 129 175.854 175.854 175.130 0.724 18323 5261 1 14 . 1 1 52 52 ASP CA C 129 54.074 54.074 53.598 0.476 18323 5262 1 14 . 1 1 52 52 ASP CB C 129 40.596 40.596 41.021 -0.425 18323 5263 1 14 . 1 1 52 52 ASP H H 129 7.962 7.962 7.414 0.548 18323 5264 1 14 . 1 1 53 53 ILE N N 130 127.900 127.900 124.302 3.598 18323 5265 1 14 . 1 1 53 53 ILE C C 130 177.995 177.995 177.100 0.895 18323 5266 1 14 . 1 1 53 53 ILE CA C 130 63.450 63.450 61.880 1.570 18323 5267 1 14 . 1 1 53 53 ILE CB C 130 38.838 38.838 38.495 0.343 18323 5268 1 14 . 1 1 53 53 ILE H H 130 8.261 8.261 8.267 -0.006 18323 5269 1 14 . 1 1 54 54 ASP N N 131 116.678 116.678 118.663 -1.985 18323 5270 1 14 . 1 1 54 54 ASP HA H 131 4.541 4.541 4.573 -0.032 18323 5271 1 14 . 1 1 54 54 ASP C C 131 178.283 178.283 177.048 1.235 18323 5272 1 14 . 1 1 54 54 ASP CA C 131 54.074 54.074 54.540 -0.466 18323 5273 1 14 . 1 1 54 54 ASP CB C 131 40.010 40.010 41.569 -1.559 18323 5274 1 14 . 1 1 54 54 ASP H H 131 8.372 8.372 8.105 0.267 18323 5275 1 14 . 1 1 55 55 GLY N N 132 108.866 108.866 109.180 -0.314 18323 5276 1 14 . 1 1 55 55 GLY C C 132 175.365 175.365 174.422 0.943 18323 5277 1 14 . 1 1 55 55 GLY CA C 132 47.628 47.628 45.982 1.646 18323 5278 1 14 . 1 1 55 55 GLY H H 132 7.679 7.679 8.699 -1.020 18323 5279 1 14 . 1 1 56 56 ASP N N 133 120.968 120.968 117.992 2.976 18323 5280 1 14 . 1 1 56 56 ASP HA H 133 4.493 4.493 4.634 -0.141 18323 5281 1 14 . 1 1 56 56 ASP C C 133 177.582 177.582 176.942 0.640 18323 5282 1 14 . 1 1 56 56 ASP CA C 133 53.488 53.488 53.647 -0.159 18323 5283 1 14 . 1 1 56 56 ASP CB C 133 40.010 40.010 42.792 -2.782 18323 5284 1 14 . 1 1 56 56 ASP H H 133 8.415 8.415 8.059 0.356 18323 5285 1 14 . 1 1 57 57 GLY N N 134 112.821 112.821 108.986 3.835 18323 5286 1 14 . 1 1 57 57 GLY C C 134 172.847 172.847 173.050 -0.203 18323 5287 1 14 . 1 1 57 57 GLY CA C 134 45.870 45.870 45.062 0.807 18323 5288 1 14 . 1 1 57 57 GLY H H 134 10.300 10.300 8.264 2.036 18323 5289 1 14 . 1 1 58 58 GLN N N 135 115.391 115.391 119.238 -3.847 18323 5290 1 14 . 1 1 58 58 GLN HA H 135 5.003 5.003 5.135 -0.132 18323 5291 1 14 . 1 1 58 58 GLN C C 135 175.019 175.019 175.110 -0.091 18323 5292 1 14 . 1 1 58 58 GLN CA C 135 52.902 52.902 53.565 -0.663 18323 5293 1 14 . 1 1 58 58 GLN CB C 135 32.978 32.978 30.518 2.460 18323 5294 1 14 . 1 1 58 58 GLN H H 135 8.022 8.022 7.938 0.084 18323 5295 1 14 . 1 1 59 59 VAL N N 136 125.596 125.596 125.411 0.185 18323 5296 1 14 . 1 1 59 59 VAL HA H 136 5.134 5.134 4.321 0.813 18323 5297 1 14 . 1 1 59 59 VAL C C 136 175.912 175.912 175.955 -0.043 18323 5298 1 14 . 1 1 59 59 VAL CA C 136 61.613 61.613 60.970 0.643 18323 5299 1 14 . 1 1 59 59 VAL CB C 136 33.694 33.694 31.722 1.972 18323 5300 1 14 . 1 1 59 59 VAL H H 136 9.176 9.176 8.068 1.108 18323 5301 1 14 . 1 1 60 60 ASN N N 137 129.229 129.229 126.698 2.531 18323 5302 1 14 . 1 1 60 60 ASN HA H 137 5.371 5.371 4.614 0.757 18323 5303 1 14 . 1 1 60 60 ASN C C 137 174.805 174.805 176.431 -1.626 18323 5304 1 14 . 1 1 60 60 ASN CA C 137 51.144 51.144 54.135 -2.991 18323 5305 1 14 . 1 1 60 60 ASN CB C 137 38.252 38.252 39.034 -0.782 18323 5306 1 14 . 1 1 60 60 ASN H H 137 9.576 9.576 8.261 1.315 18323 5307 1 14 . 1 1 61 61 TYR N N 138 118.597 118.597 118.618 -0.021 18323 5308 1 14 . 1 1 61 61 TYR C C 138 176.119 176.119 177.588 -1.469 18323 5309 1 14 . 1 1 61 61 TYR CA C 138 62.278 62.278 62.355 -0.077 18323 5310 1 14 . 1 1 61 61 TYR CB C 138 37.666 37.666 37.991 -0.325 18323 5311 1 14 . 1 1 61 61 TYR H H 138 8.268 8.268 8.728 -0.460 18323 5312 1 14 . 1 1 62 62 GLU N N 139 118.441 118.441 119.820 -1.379 18323 5313 1 14 . 1 1 62 62 GLU HA H 139 4.123 4.123 4.090 0.033 18323 5314 1 14 . 1 1 62 62 GLU C C 139 179.189 179.189 178.930 0.259 18323 5315 1 14 . 1 1 62 62 GLU CA C 139 59.934 59.934 59.983 -0.050 18323 5316 1 14 . 1 1 62 62 GLU CB C 139 28.876 28.876 28.544 0.332 18323 5317 1 14 . 1 1 62 62 GLU H H 139 8.087 8.087 9.033 -0.946 18323 5318 1 14 . 1 1 63 63 GLU N N 140 120.992 120.992 117.522 3.470 18323 5319 1 14 . 1 1 63 63 GLU HA H 140 3.914 3.914 4.087 -0.173 18323 5320 1 14 . 1 1 63 63 GLU C C 140 179.328 179.328 178.296 1.032 18323 5321 1 14 . 1 1 63 63 GLU CA C 140 58.762 58.762 59.075 -0.313 18323 5322 1 14 . 1 1 63 63 GLU CB C 140 29.462 29.462 29.339 0.123 18323 5323 1 14 . 1 1 63 63 GLU H H 140 7.761 7.761 8.804 -1.043 18323 5324 1 14 . 1 1 64 64 PHE N N 141 123.798 123.798 118.140 5.658 18323 5325 1 14 . 1 1 64 64 PHE C C 141 176.843 176.843 177.074 -0.231 18323 5326 1 14 . 1 1 64 64 PHE CA C 141 61.692 61.692 60.488 1.204 18323 5327 1 14 . 1 1 64 64 PHE CB C 141 39.917 39.917 40.006 -0.089 18323 5328 1 14 . 1 1 64 64 PHE H H 141 8.529 8.529 7.423 1.106 18323 5329 1 14 . 1 1 65 65 VAL N N 142 119.218 119.218 120.403 -1.185 18323 5330 1 14 . 1 1 65 65 VAL C C 142 179.497 179.497 177.619 1.878 18323 5331 1 14 . 1 1 65 65 VAL CA C 142 66.966 66.966 64.200 2.766 18323 5332 1 14 . 1 1 65 65 VAL CB C 142 31.220 31.220 31.313 -0.093 18323 5333 1 14 . 1 1 65 65 VAL H H 142 8.672 8.672 8.892 -0.220 18323 5334 1 14 . 1 1 66 66 GLN N N 143 118.362 118.362 120.886 -2.524 18323 5335 1 14 . 1 1 66 66 GLN HA H 143 3.845 3.845 3.952 -0.107 18323 5336 1 14 . 1 1 66 66 GLN C C 143 177.881 177.881 178.403 -0.522 18323 5337 1 14 . 1 1 66 66 GLN CA C 143 58.762 58.762 59.483 -0.720 18323 5338 1 14 . 1 1 66 66 GLN CB C 143 27.704 27.704 28.643 -0.939 18323 5339 1 14 . 1 1 66 66 GLN H H 143 7.550 7.550 8.542 -0.992 18323 5340 1 14 . 1 1 67 67 MET N N 144 116.720 116.720 116.501 0.219 18323 5341 1 14 . 1 1 67 67 MET C C 144 177.803 177.803 177.913 -0.110 18323 5342 1 14 . 1 1 67 67 MET CA C 144 56.418 56.418 58.338 -1.920 18323 5343 1 14 . 1 1 67 67 MET CB C 144 31.806 31.806 32.619 -0.813 18323 5344 1 14 . 1 1 67 67 MET H H 144 7.300 7.300 7.313 -0.013 18323 5345 1 14 . 1 1 68 68 MET N N 145 116.116 116.116 115.662 0.454 18323 5346 1 14 . 1 1 68 68 MET HA H 145 4.115 4.115 4.140 -0.025 18323 5347 1 14 . 1 1 68 68 MET C C 145 177.203 177.203 178.434 -1.231 18323 5348 1 14 . 1 1 68 68 MET CA C 145 56.418 56.418 57.918 -1.500 18323 5349 1 14 . 1 1 68 68 MET CB C 145 31.806 31.806 32.430 -0.624 18323 5350 1 14 . 1 1 68 68 MET H H 145 7.732 7.732 7.907 -0.175 18323 5351 1 14 . 1 1 69 69 THR N N 146 108.868 108.868 113.688 -4.820 18323 5352 1 14 . 1 1 69 69 THR HA H 146 4.288 4.288 4.232 0.056 18323 5353 1 14 . 1 1 69 69 THR C C 146 174.154 174.154 174.708 -0.554 18323 5354 1 14 . 1 1 69 69 THR CA C 146 61.692 61.692 63.988 -2.296 18323 5355 1 14 . 1 1 69 69 THR CB C 146 69.896 69.896 69.217 0.679 18323 5356 1 14 . 1 1 69 69 THR H H 146 7.649 7.649 8.065 -0.416 18323 5357 1 14 . 1 1 70 70 ALA N N 147 126.934 126.934 124.347 2.587 18323 5358 1 14 . 1 1 70 70 ALA HA H 147 4.287 4.287 4.401 -0.114 18323 5359 1 14 . 1 1 70 70 ALA C C 147 176.686 176.686 175.236 1.450 18323 5360 1 14 . 1 1 70 70 ALA CA C 147 52.902 52.902 51.902 1.000 18323 5361 1 14 . 1 1 70 70 ALA CB C 147 18.914 18.914 20.290 -1.376 18323 5362 1 14 . 1 1 70 70 ALA H H 147 7.546 7.546 7.578 -0.032 18323 5363 1 15 . 1 1 2 2 THR N N 79 114.287 114.287 114.701 -0.414 18323 5364 1 15 . 1 1 2 2 THR HA H 79 4.281 4.281 4.389 -0.108 18323 5365 1 15 . 1 1 2 2 THR C C 79 174.598 174.598 175.543 -0.945 18323 5366 1 15 . 1 1 2 2 THR CA C 79 62.278 62.278 61.937 0.341 18323 5367 1 15 . 1 1 2 2 THR CB C 79 69.310 69.310 69.668 -0.358 18323 5368 1 15 . 1 1 2 2 THR H H 79 8.299 8.299 7.978 0.321 18323 5369 1 15 . 1 1 3 3 ASP N N 80 122.311 122.311 126.189 -3.878 18323 5370 1 15 . 1 1 3 3 ASP C C 80 176.788 176.788 177.786 -0.998 18323 5371 1 15 . 1 1 3 3 ASP CA C 80 54.660 54.660 55.714 -1.054 18323 5372 1 15 . 1 1 3 3 ASP CB C 80 41.182 41.182 41.143 0.039 18323 5373 1 15 . 1 1 3 3 ASP H H 80 8.447 8.447 8.792 -0.345 18323 5374 1 15 . 1 1 4 4 SER N N 81 116.934 116.934 114.940 1.994 18323 5375 1 15 . 1 1 4 4 SER HA H 81 4.022 4.022 3.969 0.053 18323 5376 1 15 . 1 1 4 4 SER C C 81 175.337 175.337 175.869 -0.532 18323 5377 1 15 . 1 1 4 4 SER CA C 81 58.762 58.762 60.374 -1.612 18323 5378 1 15 . 1 1 4 4 SER CB C 81 64.036 64.036 62.596 1.440 18323 5379 1 15 . 1 1 4 4 SER H H 81 8.351 8.351 8.286 0.065 18323 5380 1 15 . 1 1 5 5 GLU N N 82 123.423 123.423 120.210 3.213 18323 5381 1 15 . 1 1 5 5 GLU HA H 82 4.112 4.112 3.864 0.248 18323 5382 1 15 . 1 1 5 5 GLU C C 82 178.067 178.067 177.994 0.073 18323 5383 1 15 . 1 1 5 5 GLU CA C 82 59.348 59.348 59.972 -0.624 18323 5384 1 15 . 1 1 5 5 GLU CB C 82 46.749 46.749 29.672 17.077 18323 5385 1 15 . 1 1 5 5 GLU H H 82 8.588 8.588 8.659 -0.071 18323 5386 1 15 . 1 1 6 6 GLU N N 83 118.987 118.987 117.435 1.552 18323 5387 1 15 . 1 1 6 6 GLU CA C 83 59.348 59.348 59.374 -0.026 18323 5388 1 15 . 1 1 6 6 GLU CB C 83 29.462 29.462 28.858 0.604 18323 5389 1 15 . 1 1 6 6 GLU H H 83 8.412 8.412 8.687 -0.275 18323 5390 1 15 . 1 1 7 7 GLU HA H 84 4.116 4.116 4.122 -0.006 18323 5391 1 15 . 1 1 7 7 GLU C C 84 178.969 178.969 179.169 -0.200 18323 5392 1 15 . 1 1 7 7 GLU CA C 84 59.348 59.348 59.080 0.268 18323 5393 1 15 . 1 1 7 7 GLU CB C 84 29.462 29.462 28.858 0.604 18323 5394 1 15 . 1 1 8 8 ILE N N 85 121.839 121.839 119.343 2.496 18323 5395 1 15 . 1 1 8 8 ILE HA H 85 3.917 3.917 3.661 0.256 18323 5396 1 15 . 1 1 8 8 ILE C C 85 178.283 178.283 178.212 0.071 18323 5397 1 15 . 1 1 8 8 ILE CA C 85 65.208 65.208 65.493 -0.285 18323 5398 1 15 . 1 1 8 8 ILE CB C 85 37.080 37.080 37.864 -0.784 18323 5399 1 15 . 1 1 8 8 ILE H H 85 8.001 8.001 7.849 0.152 18323 5400 1 15 . 1 1 9 9 ARG N N 86 121.328 121.328 119.185 2.143 18323 5401 1 15 . 1 1 9 9 ARG HA H 86 4.260 4.260 4.133 0.127 18323 5402 1 15 . 1 1 9 9 ARG C C 86 179.291 179.291 179.036 0.255 18323 5403 1 15 . 1 1 9 9 ARG CA C 86 59.934 59.934 59.259 0.675 18323 5404 1 15 . 1 1 9 9 ARG CB C 86 29.462 29.462 29.665 -0.203 18323 5405 1 15 . 1 1 9 9 ARG H H 86 8.544 8.544 7.841 0.703 18323 5406 1 15 . 1 1 10 10 GLU N N 87 118.332 118.332 117.548 0.784 18323 5407 1 15 . 1 1 10 10 GLU HA H 87 4.116 4.116 4.256 -0.140 18323 5408 1 15 . 1 1 10 10 GLU C C 87 179.498 179.498 178.513 0.985 18323 5409 1 15 . 1 1 10 10 GLU CA C 87 59.348 59.348 58.435 0.913 18323 5410 1 15 . 1 1 10 10 GLU CB C 87 29.462 29.462 29.125 0.337 18323 5411 1 15 . 1 1 10 10 GLU H H 87 8.225 8.225 8.513 -0.288 18323 5412 1 15 . 1 1 11 11 ALA N N 88 121.839 121.839 123.593 -1.754 18323 5413 1 15 . 1 1 11 11 ALA HA H 88 4.243 4.243 4.286 -0.043 18323 5414 1 15 . 1 1 11 11 ALA C C 88 176.715 176.715 178.927 -2.212 18323 5415 1 15 . 1 1 11 11 ALA CA C 88 55.246 55.246 55.017 0.229 18323 5416 1 15 . 1 1 11 11 ALA CB C 88 18.136 18.136 18.613 -0.477 18323 5417 1 15 . 1 1 11 11 ALA H H 88 8.001 8.001 8.126 -0.125 18323 5418 1 15 . 1 1 12 12 PHE N N 89 118.794 118.794 118.792 0.002 18323 5419 1 15 . 1 1 12 12 PHE HA H 89 4.934 4.934 3.924 1.010 18323 5420 1 15 . 1 1 12 12 PHE C C 89 177.370 177.370 178.239 -0.869 18323 5421 1 15 . 1 1 12 12 PHE CA C 89 62.278 62.278 62.807 -0.529 18323 5422 1 15 . 1 1 12 12 PHE CB C 89 39.424 39.424 38.459 0.965 18323 5423 1 15 . 1 1 12 12 PHE H H 89 8.630 8.630 8.030 0.600 18323 5424 1 15 . 1 1 13 13 ARG N N 90 115.837 115.837 116.914 -1.077 18323 5425 1 15 . 1 1 13 13 ARG HA H 90 3.862 3.862 4.118 -0.256 18323 5426 1 15 . 1 1 13 13 ARG C C 90 177.590 177.590 178.139 -0.549 18323 5427 1 15 . 1 1 13 13 ARG CA C 90 58.762 58.762 58.057 0.705 18323 5428 1 15 . 1 1 13 13 ARG CB C 90 30.048 30.048 29.375 0.673 18323 5429 1 15 . 1 1 13 13 ARG H H 90 7.891 7.891 7.715 0.176 18323 5430 1 15 . 1 1 14 14 VAL N N 91 118.382 118.382 118.754 -0.372 18323 5431 1 15 . 1 1 14 14 VAL C C 91 176.343 176.343 178.007 -1.664 18323 5432 1 15 . 1 1 14 14 VAL CA C 91 65.794 65.794 65.948 -0.154 18323 5433 1 15 . 1 1 14 14 VAL CB C 91 31.220 31.220 32.069 -0.849 18323 5434 1 15 . 1 1 14 14 VAL H H 91 7.407 7.407 7.321 0.086 18323 5435 1 15 . 1 1 15 15 PHE N N 92 114.257 114.257 117.112 -2.855 18323 5436 1 15 . 1 1 15 15 PHE HA H 92 4.661 4.661 4.195 0.466 18323 5437 1 15 . 1 1 15 15 PHE C C 92 176.378 176.378 176.930 -0.552 18323 5438 1 15 . 1 1 15 15 PHE CA C 92 59.934 59.934 60.089 -0.155 18323 5439 1 15 . 1 1 15 15 PHE CB C 92 41.182 41.182 39.005 2.177 18323 5440 1 15 . 1 1 15 15 PHE H H 92 6.892 6.892 8.715 -1.823 18323 5441 1 15 . 1 1 16 16 ASP N N 93 116.288 116.288 119.140 -2.852 18323 5442 1 15 . 1 1 16 16 ASP HA H 93 4.617 4.617 4.778 -0.161 18323 5443 1 15 . 1 1 16 16 ASP C C 93 177.695 177.695 177.657 0.038 18323 5444 1 15 . 1 1 16 16 ASP CA C 93 51.730 51.730 54.420 -2.690 18323 5445 1 15 . 1 1 16 16 ASP CB C 93 38.838 38.838 39.528 -0.689 18323 5446 1 15 . 1 1 16 16 ASP H H 93 7.847 7.847 8.459 -0.612 18323 5447 1 15 . 1 1 17 17 LYS N N 94 125.440 125.440 123.391 2.049 18323 5448 1 15 . 1 1 17 17 LYS HA H 94 3.889 3.889 3.968 -0.079 18323 5449 1 15 . 1 1 17 17 LYS C C 94 178.290 178.290 177.094 1.196 18323 5450 1 15 . 1 1 17 17 LYS CA C 94 58.762 58.762 58.241 0.521 18323 5451 1 15 . 1 1 17 17 LYS CB C 94 32.392 32.392 32.478 -0.086 18323 5452 1 15 . 1 1 17 17 LYS H H 94 7.662 7.662 8.487 -0.825 18323 5453 1 15 . 1 1 18 18 ASP N N 95 114.292 114.292 116.286 -1.994 18323 5454 1 15 . 1 1 18 18 ASP HA H 95 4.567 4.567 4.494 0.073 18323 5455 1 15 . 1 1 18 18 ASP C C 95 177.826 177.826 176.263 1.563 18323 5456 1 15 . 1 1 18 18 ASP CA C 95 52.902 52.902 54.048 -1.146 18323 5457 1 15 . 1 1 18 18 ASP CB C 95 39.424 39.424 39.609 -0.185 18323 5458 1 15 . 1 1 18 18 ASP H H 95 8.336 8.336 8.202 0.134 18323 5459 1 15 . 1 1 19 19 GLY N N 96 109.374 109.374 107.487 1.887 18323 5460 1 15 . 1 1 19 19 GLY C C 96 175.145 175.145 175.307 -0.162 18323 5461 1 15 . 1 1 19 19 GLY CA C 96 47.042 47.042 46.339 0.703 18323 5462 1 15 . 1 1 19 19 GLY H H 96 7.797 7.797 7.466 0.331 18323 5463 1 15 . 1 1 20 20 ASN N N 97 119.964 119.964 117.849 2.115 18323 5464 1 15 . 1 1 20 20 ASN HA H 97 4.670 4.670 4.728 -0.058 18323 5465 1 15 . 1 1 20 20 ASN C C 97 176.120 176.120 176.854 -0.734 18323 5466 1 15 . 1 1 20 20 ASN CA C 97 52.316 52.316 52.037 0.279 18323 5467 1 15 . 1 1 20 20 ASN CB C 97 38.252 38.252 38.127 0.125 18323 5468 1 15 . 1 1 20 20 ASN H H 97 8.430 8.430 8.483 -0.053 18323 5469 1 15 . 1 1 21 21 GLY N N 98 112.726 112.726 105.840 6.886 18323 5470 1 15 . 1 1 21 21 GLY C C 98 172.751 172.751 173.336 -0.585 18323 5471 1 15 . 1 1 21 21 GLY CA C 98 44.698 44.698 46.314 -1.616 18323 5472 1 15 . 1 1 21 21 GLY H H 98 10.638 10.638 7.977 2.661 18323 5473 1 15 . 1 1 22 22 TYR N N 99 116.415 116.415 115.417 0.998 18323 5474 1 15 . 1 1 22 22 TYR C C 99 174.795 174.795 173.451 1.344 18323 5475 1 15 . 1 1 22 22 TYR CA C 99 56.418 56.418 57.234 -0.816 18323 5476 1 15 . 1 1 22 22 TYR CB C 99 42.940 42.940 42.194 0.746 18323 5477 1 15 . 1 1 22 22 TYR H H 99 7.708 7.708 8.483 -0.775 18323 5478 1 15 . 1 1 23 23 ILE N N 100 127.488 127.488 120.029 7.459 18323 5479 1 15 . 1 1 23 23 ILE C C 100 175.543 175.543 175.331 0.212 18323 5480 1 15 . 1 1 23 23 ILE CA C 100 61.106 61.106 59.007 2.099 18323 5481 1 15 . 1 1 23 23 ILE CB C 100 39.424 39.424 37.189 2.235 18323 5482 1 15 . 1 1 23 23 ILE H H 100 10.197 10.197 8.808 1.389 18323 5483 1 15 . 1 1 24 24 SER N N 101 123.860 123.860 121.971 1.889 18323 5484 1 15 . 1 1 24 24 SER HA H 101 4.973 4.973 5.154 -0.181 18323 5485 1 15 . 1 1 24 24 SER C C 101 175.300 175.300 175.320 -0.020 18323 5486 1 15 . 1 1 24 24 SER CA C 101 55.832 55.832 57.234 -1.402 18323 5487 1 15 . 1 1 24 24 SER CB C 101 66.966 66.966 65.961 1.005 18323 5488 1 15 . 1 1 24 24 SER H H 101 8.998 8.998 8.341 0.657 18323 5489 1 15 . 1 1 25 25 ALA N N 102 123.328 123.328 124.853 -1.525 18323 5490 1 15 . 1 1 25 25 ALA HA H 102 3.938 3.938 4.033 -0.095 18323 5491 1 15 . 1 1 25 25 ALA C C 102 179.324 179.324 178.784 0.540 18323 5492 1 15 . 1 1 25 25 ALA CA C 102 55.832 55.832 55.465 0.367 18323 5493 1 15 . 1 1 25 25 ALA CB C 102 17.742 17.742 18.503 -0.761 18323 5494 1 15 . 1 1 25 25 ALA H H 102 9.377 9.377 8.981 0.396 18323 5495 1 15 . 1 1 26 26 ALA N N 103 118.536 118.536 121.459 -2.923 18323 5496 1 15 . 1 1 26 26 ALA HA H 103 4.054 4.054 3.891 0.163 18323 5497 1 15 . 1 1 26 26 ALA C C 103 181.535 181.535 179.352 2.183 18323 5498 1 15 . 1 1 26 26 ALA CA C 103 55.246 55.246 55.206 0.040 18323 5499 1 15 . 1 1 26 26 ALA CB C 103 18.328 18.328 18.123 0.205 18323 5500 1 15 . 1 1 26 26 ALA H H 103 8.317 8.317 8.475 -0.158 18323 5501 1 15 . 1 1 27 27 GLU N N 104 120.419 120.419 118.903 1.516 18323 5502 1 15 . 1 1 27 27 GLU HA H 104 4.033 4.033 3.925 0.108 18323 5503 1 15 . 1 1 27 27 GLU C C 104 178.950 178.950 179.207 -0.257 18323 5504 1 15 . 1 1 27 27 GLU CA C 104 59.348 59.348 59.461 -0.113 18323 5505 1 15 . 1 1 27 27 GLU CB C 104 28.876 28.876 28.843 0.033 18323 5506 1 15 . 1 1 27 27 GLU H H 104 7.977 7.977 8.662 -0.685 18323 5507 1 15 . 1 1 28 28 LEU N N 105 120.658 120.658 117.512 3.146 18323 5508 1 15 . 1 1 28 28 LEU HA H 105 4.178 4.178 4.034 0.144 18323 5509 1 15 . 1 1 28 28 LEU C C 105 178.402 178.402 178.909 -0.507 18323 5510 1 15 . 1 1 28 28 LEU CA C 105 58.176 58.176 57.948 0.228 18323 5511 1 15 . 1 1 28 28 LEU CB C 105 41.768 41.768 41.299 0.469 18323 5512 1 15 . 1 1 28 28 LEU H H 105 8.500 8.500 7.555 0.945 18323 5513 1 15 . 1 1 29 29 ARG N N 106 117.807 117.807 116.637 1.170 18323 5514 1 15 . 1 1 29 29 ARG HA H 106 4.042 4.042 4.146 -0.104 18323 5515 1 15 . 1 1 29 29 ARG C C 106 177.506 177.506 177.972 -0.466 18323 5516 1 15 . 1 1 29 29 ARG CA C 106 59.934 59.934 58.031 1.903 18323 5517 1 15 . 1 1 29 29 ARG CB C 106 30.634 30.634 29.828 0.806 18323 5518 1 15 . 1 1 29 29 ARG H H 106 8.727 8.727 8.033 0.694 18323 5519 1 15 . 1 1 30 30 HIS N N 107 119.849 119.849 120.378 -0.529 18323 5520 1 15 . 1 1 30 30 HIS C C 107 177.862 177.862 177.364 0.498 18323 5521 1 15 . 1 1 30 30 HIS CA C 107 59.934 59.934 59.923 0.011 18323 5522 1 15 . 1 1 30 30 HIS CB C 107 30.634 30.634 30.670 -0.036 18323 5523 1 15 . 1 1 30 30 HIS H H 107 8.030 8.030 8.435 -0.405 18323 5524 1 15 . 1 1 31 31 VAL N N 108 119.784 119.784 120.334 -0.550 18323 5525 1 15 . 1 1 31 31 VAL C C 108 178.437 178.437 177.563 0.874 18323 5526 1 15 . 1 1 31 31 VAL CA C 108 66.966 66.966 65.969 0.997 18323 5527 1 15 . 1 1 31 31 VAL CB C 108 31.806 31.806 31.869 -0.063 18323 5528 1 15 . 1 1 31 31 VAL H H 108 8.322 8.322 8.638 -0.316 18323 5529 1 15 . 1 1 32 32 MET N N 109 115.699 115.699 116.238 -0.539 18323 5530 1 15 . 1 1 32 32 MET HA H 109 4.343 4.343 4.054 0.289 18323 5531 1 15 . 1 1 32 32 MET C C 109 179.296 179.296 178.203 1.093 18323 5532 1 15 . 1 1 32 32 MET CA C 109 57.004 57.004 58.225 -1.221 18323 5533 1 15 . 1 1 32 32 MET CB C 109 29.462 29.462 31.024 -1.562 18323 5534 1 15 . 1 1 32 32 MET H H 109 8.397 8.397 7.642 0.755 18323 5535 1 15 . 1 1 33 33 THR N N 110 116.362 116.362 115.337 1.025 18323 5536 1 15 . 1 1 33 33 THR C C 110 178.290 178.290 176.632 1.658 18323 5537 1 15 . 1 1 33 33 THR CA C 110 66.380 66.380 66.162 0.218 18323 5538 1 15 . 1 1 33 33 THR CB C 110 68.724 68.724 68.659 0.065 18323 5539 1 15 . 1 1 33 33 THR H H 110 8.296 8.296 7.302 0.994 18323 5540 1 15 . 1 1 34 34 ASN N N 111 122.809 122.809 120.327 2.482 18323 5541 1 15 . 1 1 34 34 ASN HA H 111 4.619 4.619 4.490 0.129 18323 5542 1 15 . 1 1 34 34 ASN C C 111 176.698 176.698 177.201 -0.503 18323 5543 1 15 . 1 1 34 34 ASN CA C 111 55.832 55.832 55.580 0.252 18323 5544 1 15 . 1 1 34 34 ASN CB C 111 38.252 38.252 38.468 -0.216 18323 5545 1 15 . 1 1 34 34 ASN H H 111 7.936 7.936 8.053 -0.117 18323 5546 1 15 . 1 1 35 35 LEU N N 112 118.523 118.523 118.312 0.211 18323 5547 1 15 . 1 1 35 35 LEU HA H 112 4.322 4.322 4.101 0.221 18323 5548 1 15 . 1 1 35 35 LEU C C 112 177.205 177.205 178.002 -0.797 18323 5549 1 15 . 1 1 35 35 LEU CA C 112 55.246 55.246 56.630 -1.384 18323 5550 1 15 . 1 1 35 35 LEU CB C 112 42.354 42.354 42.472 -0.118 18323 5551 1 15 . 1 1 35 35 LEU H H 112 7.815 7.815 8.399 -0.584 18323 5552 1 15 . 1 1 36 36 GLY N N 113 107.203 107.203 104.415 2.788 18323 5553 1 15 . 1 1 36 36 GLY C C 113 174.354 174.354 173.619 0.735 18323 5554 1 15 . 1 1 36 36 GLY CA C 113 45.284 45.284 44.325 0.959 18323 5555 1 15 . 1 1 36 36 GLY H H 113 7.853 7.853 7.446 0.407 18323 5556 1 15 . 1 1 37 37 GLU N N 114 120.199 120.199 120.797 -0.598 18323 5557 1 15 . 1 1 37 37 GLU HA H 114 4.435 4.435 4.593 -0.158 18323 5558 1 15 . 1 1 37 37 GLU C C 114 175.359 175.359 175.451 -0.092 18323 5559 1 15 . 1 1 37 37 GLU CA C 114 54.660 54.660 54.918 -0.258 18323 5560 1 15 . 1 1 37 37 GLU CB C 114 30.634 30.634 32.957 -2.323 18323 5561 1 15 . 1 1 37 37 GLU H H 114 7.909 7.909 8.465 -0.556 18323 5562 1 15 . 1 1 38 38 LYS N N 115 124.425 124.425 123.547 0.878 18323 5563 1 15 . 1 1 38 38 LYS HA H 115 4.372 4.372 4.326 0.046 18323 5564 1 15 . 1 1 38 38 LYS C C 115 175.464 175.464 175.947 -0.483 18323 5565 1 15 . 1 1 38 38 LYS CA C 115 55.246 55.246 55.527 -0.281 18323 5566 1 15 . 1 1 38 38 LYS CB C 115 31.806 31.806 31.831 -0.025 18323 5567 1 15 . 1 1 38 38 LYS H H 115 8.642 8.642 8.524 0.118 18323 5568 1 15 . 1 1 39 39 LEU N N 116 125.258 125.258 126.170 -0.912 18323 5569 1 15 . 1 1 39 39 LEU HA H 116 4.742 4.742 4.390 0.352 18323 5570 1 15 . 1 1 39 39 LEU C C 116 178.351 178.351 177.114 1.237 18323 5571 1 15 . 1 1 39 39 LEU CA C 116 54.074 54.074 54.931 -0.857 18323 5572 1 15 . 1 1 39 39 LEU CB C 116 44.112 44.112 42.636 1.476 18323 5573 1 15 . 1 1 39 39 LEU H H 116 8.102 8.102 8.014 0.088 18323 5574 1 15 . 1 1 40 40 THR N N 117 114.811 114.811 110.014 4.797 18323 5575 1 15 . 1 1 40 40 THR HA H 117 4.744 4.744 4.529 0.215 18323 5576 1 15 . 1 1 40 40 THR C C 117 175.522 175.522 175.161 0.361 18323 5577 1 15 . 1 1 40 40 THR CA C 117 60.520 60.520 60.747 -0.227 18323 5578 1 15 . 1 1 40 40 THR CB C 117 71.068 71.068 71.609 -0.541 18323 5579 1 15 . 1 1 40 40 THR H H 117 9.297 9.297 8.498 0.799 18323 5580 1 15 . 1 1 41 41 ASP N N 118 121.232 121.232 125.833 -4.601 18323 5581 1 15 . 1 1 41 41 ASP C C 118 178.644 178.644 178.125 0.519 18323 5582 1 15 . 1 1 41 41 ASP CA C 118 57.590 57.590 57.300 0.290 18323 5583 1 15 . 1 1 41 41 ASP CB C 118 39.424 39.424 40.578 -1.154 18323 5584 1 15 . 1 1 41 41 ASP H H 118 8.967 8.967 9.020 -0.053 18323 5585 1 15 . 1 1 42 42 GLU N N 119 119.357 119.357 119.456 -0.099 18323 5586 1 15 . 1 1 42 42 GLU HA H 119 4.051 4.051 4.082 -0.031 18323 5587 1 15 . 1 1 42 42 GLU C C 119 178.847 178.847 178.877 -0.030 18323 5588 1 15 . 1 1 42 42 GLU CA C 119 59.934 59.934 59.270 0.664 18323 5589 1 15 . 1 1 42 42 GLU CB C 119 28.876 28.876 29.445 -0.569 18323 5590 1 15 . 1 1 42 42 GLU H H 119 8.679 8.679 8.626 0.053 18323 5591 1 15 . 1 1 43 43 GLU N N 120 118.761 118.761 120.524 -1.763 18323 5592 1 15 . 1 1 43 43 GLU HA H 120 4.003 4.003 4.095 -0.092 18323 5593 1 15 . 1 1 43 43 GLU C C 120 179.996 179.996 178.853 1.143 18323 5594 1 15 . 1 1 43 43 GLU CA C 120 59.348 59.348 59.019 0.329 18323 5595 1 15 . 1 1 43 43 GLU CB C 120 30.048 30.048 29.970 0.078 18323 5596 1 15 . 1 1 43 43 GLU H H 120 7.998 7.998 7.898 0.100 18323 5597 1 15 . 1 1 44 44 VAL N N 121 121.165 121.165 120.899 0.266 18323 5598 1 15 . 1 1 44 44 VAL HA H 121 3.439 3.439 3.682 -0.243 18323 5599 1 15 . 1 1 44 44 VAL C C 121 177.489 177.489 177.697 -0.208 18323 5600 1 15 . 1 1 44 44 VAL CA C 121 66.966 66.966 67.471 -0.505 18323 5601 1 15 . 1 1 44 44 VAL CB C 121 31.220 31.220 31.283 -0.063 18323 5602 1 15 . 1 1 44 44 VAL H H 121 8.051 8.051 8.167 -0.116 18323 5603 1 15 . 1 1 45 45 ASP N N 122 119.507 119.507 118.682 0.825 18323 5604 1 15 . 1 1 45 45 ASP HA H 122 4.338 4.338 4.295 0.043 18323 5605 1 15 . 1 1 45 45 ASP C C 122 179.226 179.226 178.879 0.347 18323 5606 1 15 . 1 1 45 45 ASP CA C 122 57.590 57.590 57.490 0.100 18323 5607 1 15 . 1 1 45 45 ASP CB C 122 40.596 40.596 40.733 -0.137 18323 5608 1 15 . 1 1 45 45 ASP H H 122 8.092 8.092 8.009 0.083 18323 5609 1 15 . 1 1 46 46 GLU N N 123 119.871 119.871 119.452 0.419 18323 5610 1 15 . 1 1 46 46 GLU HA H 123 4.033 4.033 4.141 -0.108 18323 5611 1 15 . 1 1 46 46 GLU C C 123 178.612 178.612 178.547 0.065 18323 5612 1 15 . 1 1 46 46 GLU CA C 123 59.348 59.348 58.558 0.790 18323 5613 1 15 . 1 1 46 46 GLU CB C 123 29.462 29.462 29.835 -0.373 18323 5614 1 15 . 1 1 46 46 GLU H H 123 8.131 8.131 7.449 0.682 18323 5615 1 15 . 1 1 47 47 MET N N 124 119.395 119.395 120.636 -1.241 18323 5616 1 15 . 1 1 47 47 MET CA C 124 60.520 60.520 59.812 0.708 18323 5617 1 15 . 1 1 47 47 MET CB C 124 32.978 32.978 32.746 0.232 18323 5618 1 15 . 1 1 47 47 MET H H 124 7.781 7.781 8.435 -0.654 18323 5619 1 15 . 1 1 48 48 ILE HA H 125 4.234 4.234 3.701 0.533 18323 5620 1 15 . 1 1 48 48 ILE C C 125 177.530 177.530 177.912 -0.382 18323 5621 1 15 . 1 1 48 48 ILE CA C 125 63.450 63.450 65.150 -1.700 18323 5622 1 15 . 1 1 48 48 ILE CB C 125 35.908 35.908 37.617 -1.709 18323 5623 1 15 . 1 1 49 49 ARG N N 126 118.403 118.403 119.362 -0.959 18323 5624 1 15 . 1 1 49 49 ARG HA H 126 4.105 4.105 3.955 0.150 18323 5625 1 15 . 1 1 49 49 ARG C C 126 178.928 178.928 178.136 0.792 18323 5626 1 15 . 1 1 49 49 ARG CA C 126 59.934 59.934 59.054 0.880 18323 5627 1 15 . 1 1 49 49 ARG CB C 126 30.414 30.414 29.687 0.727 18323 5628 1 15 . 1 1 49 49 ARG H H 126 8.555 8.555 7.669 0.886 18323 5629 1 15 . 1 1 50 50 GLU N N 127 116.347 116.347 117.092 -0.745 18323 5630 1 15 . 1 1 50 50 GLU HA H 127 4.039 4.039 4.196 -0.157 18323 5631 1 15 . 1 1 50 50 GLU C C 127 176.941 176.941 177.786 -0.845 18323 5632 1 15 . 1 1 50 50 GLU CA C 127 58.762 58.762 58.500 0.262 18323 5633 1 15 . 1 1 50 50 GLU CB C 127 30.048 30.048 30.190 -0.142 18323 5634 1 15 . 1 1 50 50 GLU H H 127 7.990 7.990 7.810 0.180 18323 5635 1 15 . 1 1 51 51 ALA N N 128 117.251 117.251 121.100 -3.849 18323 5636 1 15 . 1 1 51 51 ALA HA H 128 4.456 4.456 4.116 0.340 18323 5637 1 15 . 1 1 51 51 ALA C C 128 177.757 177.757 177.795 -0.038 18323 5638 1 15 . 1 1 51 51 ALA CA C 128 51.730 51.730 53.770 -2.040 18323 5639 1 15 . 1 1 51 51 ALA CB C 128 21.844 21.844 19.271 2.573 18323 5640 1 15 . 1 1 51 51 ALA H H 128 7.126 7.126 7.564 -0.438 18323 5641 1 15 . 1 1 52 52 ASP N N 129 117.909 117.909 117.892 0.017 18323 5642 1 15 . 1 1 52 52 ASP HA H 129 4.502 4.502 4.652 -0.150 18323 5643 1 15 . 1 1 52 52 ASP C C 129 175.854 175.854 176.341 -0.487 18323 5644 1 15 . 1 1 52 52 ASP CA C 129 54.074 54.074 55.441 -1.367 18323 5645 1 15 . 1 1 52 52 ASP CB C 129 40.596 40.596 41.635 -1.039 18323 5646 1 15 . 1 1 52 52 ASP H H 129 7.962 7.962 8.381 -0.419 18323 5647 1 15 . 1 1 53 53 ILE N N 130 127.900 127.900 123.259 4.641 18323 5648 1 15 . 1 1 53 53 ILE C C 130 177.995 177.995 176.838 1.157 18323 5649 1 15 . 1 1 53 53 ILE CA C 130 63.450 63.450 61.232 2.218 18323 5650 1 15 . 1 1 53 53 ILE CB C 130 38.838 38.838 38.294 0.544 18323 5651 1 15 . 1 1 53 53 ILE H H 130 8.261 8.261 8.302 -0.041 18323 5652 1 15 . 1 1 54 54 ASP N N 131 116.678 116.678 117.961 -1.283 18323 5653 1 15 . 1 1 54 54 ASP HA H 131 4.541 4.541 4.816 -0.275 18323 5654 1 15 . 1 1 54 54 ASP C C 131 178.283 178.283 177.065 1.218 18323 5655 1 15 . 1 1 54 54 ASP CA C 131 54.074 54.074 54.006 0.068 18323 5656 1 15 . 1 1 54 54 ASP CB C 131 40.010 40.010 41.748 -1.738 18323 5657 1 15 . 1 1 54 54 ASP H H 131 8.372 8.372 8.480 -0.108 18323 5658 1 15 . 1 1 55 55 GLY N N 132 108.866 108.866 109.947 -1.081 18323 5659 1 15 . 1 1 55 55 GLY C C 132 175.365 175.365 174.365 1.000 18323 5660 1 15 . 1 1 55 55 GLY CA C 132 47.628 47.628 46.002 1.626 18323 5661 1 15 . 1 1 55 55 GLY H H 132 7.679 7.679 8.683 -1.004 18323 5662 1 15 . 1 1 56 56 ASP N N 133 120.968 120.968 119.160 1.808 18323 5663 1 15 . 1 1 56 56 ASP HA H 133 4.493 4.493 4.650 -0.157 18323 5664 1 15 . 1 1 56 56 ASP C C 133 177.582 177.582 177.586 -0.004 18323 5665 1 15 . 1 1 56 56 ASP CA C 133 53.488 53.488 52.736 0.752 18323 5666 1 15 . 1 1 56 56 ASP CB C 133 40.010 40.010 40.540 -0.530 18323 5667 1 15 . 1 1 56 56 ASP H H 133 8.415 8.415 7.964 0.451 18323 5668 1 15 . 1 1 57 57 GLY N N 134 112.821 112.821 108.133 4.688 18323 5669 1 15 . 1 1 57 57 GLY C C 134 172.847 172.847 173.338 -0.491 18323 5670 1 15 . 1 1 57 57 GLY CA C 134 45.870 45.870 46.115 -0.245 18323 5671 1 15 . 1 1 57 57 GLY H H 134 10.300 10.300 8.399 1.901 18323 5672 1 15 . 1 1 58 58 GLN N N 135 115.391 115.391 117.915 -2.524 18323 5673 1 15 . 1 1 58 58 GLN HA H 135 5.003 5.003 5.293 -0.290 18323 5674 1 15 . 1 1 58 58 GLN C C 135 175.019 175.019 174.470 0.549 18323 5675 1 15 . 1 1 58 58 GLN CA C 135 52.902 52.902 54.678 -1.776 18323 5676 1 15 . 1 1 58 58 GLN CB C 135 32.978 32.978 33.062 -0.084 18323 5677 1 15 . 1 1 58 58 GLN H H 135 8.022 8.022 7.344 0.678 18323 5678 1 15 . 1 1 59 59 VAL N N 136 125.596 125.596 119.867 5.729 18323 5679 1 15 . 1 1 59 59 VAL HA H 136 5.134 5.134 5.014 0.120 18323 5680 1 15 . 1 1 59 59 VAL C C 136 175.912 175.912 175.180 0.732 18323 5681 1 15 . 1 1 59 59 VAL CA C 136 61.613 61.613 59.425 2.188 18323 5682 1 15 . 1 1 59 59 VAL CB C 136 33.694 33.694 35.050 -1.357 18323 5683 1 15 . 1 1 59 59 VAL H H 136 9.176 9.176 8.293 0.883 18323 5684 1 15 . 1 1 60 60 ASN N N 137 129.229 129.229 124.433 4.796 18323 5685 1 15 . 1 1 60 60 ASN HA H 137 5.371 5.371 4.782 0.589 18323 5686 1 15 . 1 1 60 60 ASN C C 137 174.805 174.805 176.202 -1.397 18323 5687 1 15 . 1 1 60 60 ASN CA C 137 51.144 51.144 53.005 -1.861 18323 5688 1 15 . 1 1 60 60 ASN CB C 137 38.252 38.252 38.510 -0.258 18323 5689 1 15 . 1 1 60 60 ASN H H 137 9.576 9.576 8.429 1.147 18323 5690 1 15 . 1 1 61 61 TYR N N 138 118.597 118.597 119.048 -0.451 18323 5691 1 15 . 1 1 61 61 TYR C C 138 176.119 176.119 178.067 -1.948 18323 5692 1 15 . 1 1 61 61 TYR CA C 138 62.278 62.278 62.028 0.250 18323 5693 1 15 . 1 1 61 61 TYR CB C 138 37.666 37.666 38.267 -0.601 18323 5694 1 15 . 1 1 61 61 TYR H H 138 8.268 8.268 8.888 -0.620 18323 5695 1 15 . 1 1 62 62 GLU N N 139 118.441 118.441 119.534 -1.093 18323 5696 1 15 . 1 1 62 62 GLU HA H 139 4.123 4.123 4.144 -0.021 18323 5697 1 15 . 1 1 62 62 GLU C C 139 179.189 179.189 179.204 -0.015 18323 5698 1 15 . 1 1 62 62 GLU CA C 139 59.934 59.934 60.157 -0.223 18323 5699 1 15 . 1 1 62 62 GLU CB C 139 28.876 28.876 29.282 -0.406 18323 5700 1 15 . 1 1 62 62 GLU H H 139 8.087 8.087 9.042 -0.955 18323 5701 1 15 . 1 1 63 63 GLU N N 140 120.992 120.992 119.610 1.382 18323 5702 1 15 . 1 1 63 63 GLU HA H 140 3.914 3.914 4.070 -0.156 18323 5703 1 15 . 1 1 63 63 GLU C C 140 179.328 179.328 178.922 0.406 18323 5704 1 15 . 1 1 63 63 GLU CA C 140 58.762 58.762 59.254 -0.492 18323 5705 1 15 . 1 1 63 63 GLU CB C 140 29.462 29.462 29.424 0.038 18323 5706 1 15 . 1 1 63 63 GLU H H 140 7.761 7.761 9.179 -1.418 18323 5707 1 15 . 1 1 64 64 PHE N N 141 123.798 123.798 119.710 4.088 18323 5708 1 15 . 1 1 64 64 PHE C C 141 176.843 176.843 176.907 -0.064 18323 5709 1 15 . 1 1 64 64 PHE CA C 141 61.692 61.692 60.752 0.940 18323 5710 1 15 . 1 1 64 64 PHE CB C 141 39.917 39.917 39.331 0.586 18323 5711 1 15 . 1 1 64 64 PHE H H 141 8.529 8.529 7.581 0.948 18323 5712 1 15 . 1 1 65 65 VAL N N 142 119.218 119.218 120.361 -1.143 18323 5713 1 15 . 1 1 65 65 VAL C C 142 179.497 179.497 178.180 1.317 18323 5714 1 15 . 1 1 65 65 VAL CA C 142 66.966 66.966 66.355 0.612 18323 5715 1 15 . 1 1 65 65 VAL CB C 142 31.220 31.220 31.285 -0.065 18323 5716 1 15 . 1 1 65 65 VAL H H 142 8.672 8.672 8.443 0.229 18323 5717 1 15 . 1 1 66 66 GLN N N 143 118.362 118.362 118.016 0.346 18323 5718 1 15 . 1 1 66 66 GLN HA H 143 3.845 3.845 3.896 -0.051 18323 5719 1 15 . 1 1 66 66 GLN C C 143 177.881 177.881 177.498 0.383 18323 5720 1 15 . 1 1 66 66 GLN CA C 143 58.762 58.762 58.671 0.091 18323 5721 1 15 . 1 1 66 66 GLN CB C 143 27.704 27.704 28.816 -1.112 18323 5722 1 15 . 1 1 66 66 GLN H H 143 7.550 7.550 8.225 -0.675 18323 5723 1 15 . 1 1 67 67 MET N N 144 116.720 116.720 117.650 -0.930 18323 5724 1 15 . 1 1 67 67 MET C C 144 177.803 177.803 176.904 0.899 18323 5725 1 15 . 1 1 67 67 MET CA C 144 56.418 56.418 56.718 -0.300 18323 5726 1 15 . 1 1 67 67 MET CB C 144 31.806 31.806 32.861 -1.055 18323 5727 1 15 . 1 1 67 67 MET H H 144 7.300 7.300 7.429 -0.129 18323 5728 1 15 . 1 1 68 68 MET N N 145 116.116 116.116 116.832 -0.716 18323 5729 1 15 . 1 1 68 68 MET HA H 145 4.115 4.115 3.956 0.159 18323 5730 1 15 . 1 1 68 68 MET C C 145 177.203 177.203 176.500 0.703 18323 5731 1 15 . 1 1 68 68 MET CA C 145 56.418 56.418 55.805 0.613 18323 5732 1 15 . 1 1 68 68 MET CB C 145 31.806 31.806 32.441 -0.635 18323 5733 1 15 . 1 1 68 68 MET H H 145 7.732 7.732 7.663 0.069 18323 5734 1 15 . 1 1 69 69 THR N N 146 108.868 108.868 117.232 -8.364 18323 5735 1 15 . 1 1 69 69 THR HA H 146 4.288 4.288 4.197 0.091 18323 5736 1 15 . 1 1 69 69 THR C C 146 174.154 174.154 174.817 -0.663 18323 5737 1 15 . 1 1 69 69 THR CA C 146 61.692 61.692 62.852 -1.160 18323 5738 1 15 . 1 1 69 69 THR CB C 146 69.896 69.896 69.123 0.773 18323 5739 1 15 . 1 1 69 69 THR H H 146 7.649 7.649 8.195 -0.546 18323 5740 1 15 . 1 1 70 70 ALA N N 147 126.934 126.934 124.307 2.627 18323 5741 1 15 . 1 1 70 70 ALA HA H 147 4.287 4.287 4.339 -0.052 18323 5742 1 15 . 1 1 70 70 ALA C C 147 176.686 176.686 177.513 -0.827 18323 5743 1 15 . 1 1 70 70 ALA CA C 147 52.902 52.902 51.320 1.582 18323 5744 1 15 . 1 1 70 70 ALA CB C 147 18.914 18.914 19.220 -0.306 18323 5745 1 15 . 1 1 70 70 ALA H H 147 7.546 7.546 7.603 -0.057 18323 5746 1 16 . 1 1 2 2 THR N N 79 114.287 114.287 115.313 -1.026 18323 5747 1 16 . 1 1 2 2 THR HA H 79 4.281 4.281 4.490 -0.209 18323 5748 1 16 . 1 1 2 2 THR C C 79 174.598 174.598 175.095 -0.497 18323 5749 1 16 . 1 1 2 2 THR CA C 79 62.278 62.278 61.621 0.657 18323 5750 1 16 . 1 1 2 2 THR CB C 79 69.310 69.310 69.966 -0.656 18323 5751 1 16 . 1 1 2 2 THR H H 79 8.299 8.299 8.088 0.211 18323 5752 1 16 . 1 1 3 3 ASP N N 80 122.311 122.311 123.066 -0.755 18323 5753 1 16 . 1 1 3 3 ASP C C 80 176.788 176.788 177.174 -0.386 18323 5754 1 16 . 1 1 3 3 ASP CA C 80 54.660 54.660 55.975 -1.315 18323 5755 1 16 . 1 1 3 3 ASP CB C 80 41.182 41.182 40.812 0.370 18323 5756 1 16 . 1 1 3 3 ASP H H 80 8.447 8.447 8.797 -0.350 18323 5757 1 16 . 1 1 4 4 SER N N 81 116.934 116.934 111.298 5.636 18323 5758 1 16 . 1 1 4 4 SER HA H 81 4.022 4.022 4.023 -0.001 18323 5759 1 16 . 1 1 4 4 SER C C 81 175.337 175.337 175.150 0.187 18323 5760 1 16 . 1 1 4 4 SER CA C 81 58.762 58.762 59.514 -0.752 18323 5761 1 16 . 1 1 4 4 SER CB C 81 64.036 64.036 62.166 1.870 18323 5762 1 16 . 1 1 4 4 SER H H 81 8.351 8.351 7.959 0.392 18323 5763 1 16 . 1 1 5 5 GLU N N 82 123.423 123.423 124.129 -0.706 18323 5764 1 16 . 1 1 5 5 GLU HA H 82 4.112 4.112 3.953 0.159 18323 5765 1 16 . 1 1 5 5 GLU C C 82 178.067 178.067 178.096 -0.029 18323 5766 1 16 . 1 1 5 5 GLU CA C 82 59.348 59.348 59.169 0.179 18323 5767 1 16 . 1 1 5 5 GLU CB C 82 46.749 46.749 29.321 17.428 18323 5768 1 16 . 1 1 5 5 GLU H H 82 8.588 8.588 8.791 -0.203 18323 5769 1 16 . 1 1 6 6 GLU N N 83 118.987 118.987 119.013 -0.026 18323 5770 1 16 . 1 1 6 6 GLU CA C 83 59.348 59.348 58.846 0.502 18323 5771 1 16 . 1 1 6 6 GLU CB C 83 29.462 29.462 29.393 0.069 18323 5772 1 16 . 1 1 6 6 GLU H H 83 8.412 8.412 7.620 0.792 18323 5773 1 16 . 1 1 7 7 GLU HA H 84 4.116 4.116 4.012 0.104 18323 5774 1 16 . 1 1 7 7 GLU C C 84 178.969 178.969 179.052 -0.083 18323 5775 1 16 . 1 1 7 7 GLU CA C 84 59.348 59.348 59.133 0.214 18323 5776 1 16 . 1 1 7 7 GLU CB C 84 29.462 29.462 29.172 0.290 18323 5777 1 16 . 1 1 8 8 ILE N N 85 121.839 121.839 119.229 2.610 18323 5778 1 16 . 1 1 8 8 ILE HA H 85 3.917 3.917 3.589 0.328 18323 5779 1 16 . 1 1 8 8 ILE C C 85 178.283 178.283 178.163 0.120 18323 5780 1 16 . 1 1 8 8 ILE CA C 85 65.208 65.208 64.518 0.690 18323 5781 1 16 . 1 1 8 8 ILE CB C 85 37.080 37.080 37.378 -0.298 18323 5782 1 16 . 1 1 8 8 ILE H H 85 8.001 8.001 7.530 0.471 18323 5783 1 16 . 1 1 9 9 ARG N N 86 121.328 121.328 119.297 2.031 18323 5784 1 16 . 1 1 9 9 ARG HA H 86 4.260 4.260 4.158 0.102 18323 5785 1 16 . 1 1 9 9 ARG C C 86 179.291 179.291 178.528 0.763 18323 5786 1 16 . 1 1 9 9 ARG CA C 86 59.934 59.934 58.875 1.059 18323 5787 1 16 . 1 1 9 9 ARG CB C 86 29.462 29.462 29.215 0.246 18323 5788 1 16 . 1 1 9 9 ARG H H 86 8.544 8.544 8.431 0.113 18323 5789 1 16 . 1 1 10 10 GLU N N 87 118.332 118.332 117.587 0.745 18323 5790 1 16 . 1 1 10 10 GLU HA H 87 4.116 4.116 4.119 -0.003 18323 5791 1 16 . 1 1 10 10 GLU C C 87 179.498 179.498 177.954 1.544 18323 5792 1 16 . 1 1 10 10 GLU CA C 87 59.348 59.348 58.155 1.193 18323 5793 1 16 . 1 1 10 10 GLU CB C 87 29.462 29.462 29.381 0.081 18323 5794 1 16 . 1 1 10 10 GLU H H 87 8.225 8.225 7.803 0.422 18323 5795 1 16 . 1 1 11 11 ALA N N 88 121.839 121.839 122.997 -1.158 18323 5796 1 16 . 1 1 11 11 ALA HA H 88 4.243 4.243 4.287 -0.044 18323 5797 1 16 . 1 1 11 11 ALA C C 88 176.715 176.715 179.398 -2.683 18323 5798 1 16 . 1 1 11 11 ALA CA C 88 55.246 55.246 54.848 0.398 18323 5799 1 16 . 1 1 11 11 ALA CB C 88 18.136 18.136 18.303 -0.167 18323 5800 1 16 . 1 1 11 11 ALA H H 88 8.001 8.001 8.089 -0.088 18323 5801 1 16 . 1 1 12 12 PHE N N 89 118.794 118.794 117.409 1.385 18323 5802 1 16 . 1 1 12 12 PHE HA H 89 4.934 4.934 4.183 0.751 18323 5803 1 16 . 1 1 12 12 PHE C C 89 177.370 177.370 178.339 -0.969 18323 5804 1 16 . 1 1 12 12 PHE CA C 89 62.278 62.278 61.533 0.745 18323 5805 1 16 . 1 1 12 12 PHE CB C 89 39.424 39.424 38.033 1.391 18323 5806 1 16 . 1 1 12 12 PHE H H 89 8.630 8.630 7.127 1.503 18323 5807 1 16 . 1 1 13 13 ARG N N 90 115.837 115.837 117.633 -1.796 18323 5808 1 16 . 1 1 13 13 ARG HA H 90 3.862 3.862 4.492 -0.630 18323 5809 1 16 . 1 1 13 13 ARG C C 90 177.590 177.590 178.479 -0.889 18323 5810 1 16 . 1 1 13 13 ARG CA C 90 58.762 58.762 57.784 0.978 18323 5811 1 16 . 1 1 13 13 ARG CB C 90 30.048 30.048 29.339 0.709 18323 5812 1 16 . 1 1 13 13 ARG H H 90 7.891 7.891 7.688 0.203 18323 5813 1 16 . 1 1 14 14 VAL N N 91 118.382 118.382 119.025 -0.643 18323 5814 1 16 . 1 1 14 14 VAL C C 91 176.343 176.343 177.723 -1.380 18323 5815 1 16 . 1 1 14 14 VAL CA C 91 65.794 65.794 65.871 -0.077 18323 5816 1 16 . 1 1 14 14 VAL CB C 91 31.220 31.220 31.741 -0.521 18323 5817 1 16 . 1 1 14 14 VAL H H 91 7.407 7.407 7.813 -0.406 18323 5818 1 16 . 1 1 15 15 PHE N N 92 114.257 114.257 116.209 -1.952 18323 5819 1 16 . 1 1 15 15 PHE HA H 92 4.661 4.661 4.312 0.349 18323 5820 1 16 . 1 1 15 15 PHE C C 92 176.378 176.378 177.172 -0.794 18323 5821 1 16 . 1 1 15 15 PHE CA C 92 59.934 59.934 60.304 -0.370 18323 5822 1 16 . 1 1 15 15 PHE CB C 92 41.182 41.182 39.251 1.931 18323 5823 1 16 . 1 1 15 15 PHE H H 92 6.892 6.892 7.918 -1.026 18323 5824 1 16 . 1 1 16 16 ASP N N 93 116.288 116.288 118.833 -2.545 18323 5825 1 16 . 1 1 16 16 ASP HA H 93 4.617 4.617 4.856 -0.239 18323 5826 1 16 . 1 1 16 16 ASP C C 93 177.695 177.695 177.372 0.323 18323 5827 1 16 . 1 1 16 16 ASP CA C 93 51.730 51.730 52.988 -1.258 18323 5828 1 16 . 1 1 16 16 ASP CB C 93 38.838 38.838 38.228 0.610 18323 5829 1 16 . 1 1 16 16 ASP H H 93 7.847 7.847 8.589 -0.742 18323 5830 1 16 . 1 1 17 17 LYS N N 94 125.440 125.440 121.420 4.020 18323 5831 1 16 . 1 1 17 17 LYS HA H 94 3.889 3.889 3.913 -0.024 18323 5832 1 16 . 1 1 17 17 LYS C C 94 178.290 178.290 177.891 0.399 18323 5833 1 16 . 1 1 17 17 LYS CA C 94 58.762 58.762 59.350 -0.588 18323 5834 1 16 . 1 1 17 17 LYS CB C 94 32.392 32.392 32.233 0.158 18323 5835 1 16 . 1 1 17 17 LYS H H 94 7.662 7.662 8.662 -1.000 18323 5836 1 16 . 1 1 18 18 ASP N N 95 114.292 114.292 117.128 -2.836 18323 5837 1 16 . 1 1 18 18 ASP HA H 95 4.567 4.567 4.561 0.006 18323 5838 1 16 . 1 1 18 18 ASP C C 95 177.826 177.826 176.757 1.069 18323 5839 1 16 . 1 1 18 18 ASP CA C 95 52.902 52.902 53.154 -0.251 18323 5840 1 16 . 1 1 18 18 ASP CB C 95 39.424 39.424 40.307 -0.883 18323 5841 1 16 . 1 1 18 18 ASP H H 95 8.336 8.336 7.808 0.528 18323 5842 1 16 . 1 1 19 19 GLY N N 96 109.374 109.374 108.812 0.562 18323 5843 1 16 . 1 1 19 19 GLY C C 96 175.145 175.145 174.912 0.233 18323 5844 1 16 . 1 1 19 19 GLY CA C 96 47.042 47.042 46.439 0.603 18323 5845 1 16 . 1 1 19 19 GLY H H 96 7.797 7.797 8.343 -0.546 18323 5846 1 16 . 1 1 20 20 ASN N N 97 119.964 119.964 115.774 4.190 18323 5847 1 16 . 1 1 20 20 ASN HA H 97 4.670 4.670 4.672 -0.002 18323 5848 1 16 . 1 1 20 20 ASN C C 97 176.120 176.120 175.479 0.641 18323 5849 1 16 . 1 1 20 20 ASN CA C 97 52.316 52.316 52.031 0.285 18323 5850 1 16 . 1 1 20 20 ASN CB C 97 38.252 38.252 38.319 -0.067 18323 5851 1 16 . 1 1 20 20 ASN H H 97 8.430 8.430 8.251 0.179 18323 5852 1 16 . 1 1 21 21 GLY N N 98 112.726 112.726 107.166 5.560 18323 5853 1 16 . 1 1 21 21 GLY C C 98 172.751 172.751 173.093 -0.342 18323 5854 1 16 . 1 1 21 21 GLY CA C 98 44.698 44.698 45.166 -0.467 18323 5855 1 16 . 1 1 21 21 GLY H H 98 10.638 10.638 8.260 2.378 18323 5856 1 16 . 1 1 22 22 TYR N N 99 116.415 116.415 115.667 0.748 18323 5857 1 16 . 1 1 22 22 TYR C C 99 174.795 174.795 173.375 1.420 18323 5858 1 16 . 1 1 22 22 TYR CA C 99 56.418 56.418 56.786 -0.368 18323 5859 1 16 . 1 1 22 22 TYR CB C 99 42.940 42.940 41.775 1.165 18323 5860 1 16 . 1 1 22 22 TYR H H 99 7.708 7.708 7.996 -0.288 18323 5861 1 16 . 1 1 23 23 ILE N N 100 127.488 127.488 120.644 6.844 18323 5862 1 16 . 1 1 23 23 ILE C C 100 175.543 175.543 175.230 0.313 18323 5863 1 16 . 1 1 23 23 ILE CA C 100 61.106 61.106 58.652 2.454 18323 5864 1 16 . 1 1 23 23 ILE CB C 100 39.424 39.424 37.858 1.566 18323 5865 1 16 . 1 1 23 23 ILE H H 100 10.197 10.197 8.180 2.017 18323 5866 1 16 . 1 1 24 24 SER N N 101 123.860 123.860 121.798 2.062 18323 5867 1 16 . 1 1 24 24 SER HA H 101 4.973 4.973 4.873 0.100 18323 5868 1 16 . 1 1 24 24 SER C C 101 175.300 175.300 175.306 -0.006 18323 5869 1 16 . 1 1 24 24 SER CA C 101 55.832 55.832 57.162 -1.330 18323 5870 1 16 . 1 1 24 24 SER CB C 101 66.966 66.966 65.253 1.713 18323 5871 1 16 . 1 1 24 24 SER H H 101 8.998 8.998 9.243 -0.245 18323 5872 1 16 . 1 1 25 25 ALA N N 102 123.328 123.328 125.399 -2.071 18323 5873 1 16 . 1 1 25 25 ALA HA H 102 3.938 3.938 4.161 -0.223 18323 5874 1 16 . 1 1 25 25 ALA C C 102 179.324 179.324 179.294 0.030 18323 5875 1 16 . 1 1 25 25 ALA CA C 102 55.832 55.832 55.237 0.595 18323 5876 1 16 . 1 1 25 25 ALA CB C 102 17.742 17.742 18.547 -0.805 18323 5877 1 16 . 1 1 25 25 ALA H H 102 9.377 9.377 8.985 0.392 18323 5878 1 16 . 1 1 26 26 ALA N N 103 118.536 118.536 120.480 -1.944 18323 5879 1 16 . 1 1 26 26 ALA HA H 103 4.054 4.054 4.183 -0.129 18323 5880 1 16 . 1 1 26 26 ALA C C 103 181.535 181.535 179.876 1.659 18323 5881 1 16 . 1 1 26 26 ALA CA C 103 55.246 55.246 54.902 0.344 18323 5882 1 16 . 1 1 26 26 ALA CB C 103 18.328 18.328 18.129 0.199 18323 5883 1 16 . 1 1 26 26 ALA H H 103 8.317 8.317 8.493 -0.176 18323 5884 1 16 . 1 1 27 27 GLU N N 104 120.419 120.419 118.556 1.863 18323 5885 1 16 . 1 1 27 27 GLU HA H 104 4.033 4.033 4.060 -0.027 18323 5886 1 16 . 1 1 27 27 GLU C C 104 178.950 178.950 179.002 -0.052 18323 5887 1 16 . 1 1 27 27 GLU CA C 104 59.348 59.348 59.374 -0.026 18323 5888 1 16 . 1 1 27 27 GLU CB C 104 28.876 28.876 29.358 -0.482 18323 5889 1 16 . 1 1 27 27 GLU H H 104 7.977 7.977 8.023 -0.046 18323 5890 1 16 . 1 1 28 28 LEU N N 105 120.658 120.658 119.316 1.342 18323 5891 1 16 . 1 1 28 28 LEU HA H 105 4.178 4.178 4.346 -0.168 18323 5892 1 16 . 1 1 28 28 LEU C C 105 178.402 178.402 179.111 -0.709 18323 5893 1 16 . 1 1 28 28 LEU CA C 105 58.176 58.176 58.011 0.165 18323 5894 1 16 . 1 1 28 28 LEU CB C 105 41.768 41.768 41.461 0.307 18323 5895 1 16 . 1 1 28 28 LEU H H 105 8.500 8.500 7.391 1.109 18323 5896 1 16 . 1 1 29 29 ARG N N 106 117.807 117.807 118.419 -0.612 18323 5897 1 16 . 1 1 29 29 ARG HA H 106 4.042 4.042 3.998 0.044 18323 5898 1 16 . 1 1 29 29 ARG C C 106 177.506 177.506 178.624 -1.118 18323 5899 1 16 . 1 1 29 29 ARG CA C 106 59.934 59.934 59.385 0.549 18323 5900 1 16 . 1 1 29 29 ARG CB C 106 30.634 30.634 29.468 1.166 18323 5901 1 16 . 1 1 29 29 ARG H H 106 8.727 8.727 7.771 0.956 18323 5902 1 16 . 1 1 30 30 HIS N N 107 119.849 119.849 119.679 0.170 18323 5903 1 16 . 1 1 30 30 HIS C C 107 177.862 177.862 177.714 0.148 18323 5904 1 16 . 1 1 30 30 HIS CA C 107 59.934 59.934 59.884 0.050 18323 5905 1 16 . 1 1 30 30 HIS CB C 107 30.634 30.634 30.262 0.372 18323 5906 1 16 . 1 1 30 30 HIS H H 107 8.030 8.030 7.867 0.163 18323 5907 1 16 . 1 1 31 31 VAL N N 108 119.784 119.784 120.208 -0.424 18323 5908 1 16 . 1 1 31 31 VAL C C 108 178.437 178.437 177.816 0.621 18323 5909 1 16 . 1 1 31 31 VAL CA C 108 66.966 66.966 66.385 0.581 18323 5910 1 16 . 1 1 31 31 VAL CB C 108 31.806 31.806 31.869 -0.063 18323 5911 1 16 . 1 1 31 31 VAL H H 108 8.322 8.322 8.374 -0.052 18323 5912 1 16 . 1 1 32 32 MET N N 109 115.699 115.699 117.962 -2.263 18323 5913 1 16 . 1 1 32 32 MET HA H 109 4.343 4.343 4.204 0.139 18323 5914 1 16 . 1 1 32 32 MET C C 109 179.296 179.296 178.797 0.499 18323 5915 1 16 . 1 1 32 32 MET CA C 109 57.004 57.004 58.475 -1.471 18323 5916 1 16 . 1 1 32 32 MET CB C 109 29.462 29.462 31.578 -2.116 18323 5917 1 16 . 1 1 32 32 MET H H 109 8.397 8.397 8.674 -0.277 18323 5918 1 16 . 1 1 33 33 THR N N 110 116.362 116.362 115.616 0.746 18323 5919 1 16 . 1 1 33 33 THR C C 110 178.290 178.290 176.622 1.668 18323 5920 1 16 . 1 1 33 33 THR CA C 110 66.380 66.380 66.212 0.168 18323 5921 1 16 . 1 1 33 33 THR CB C 110 68.724 68.724 68.385 0.339 18323 5922 1 16 . 1 1 33 33 THR H H 110 8.296 8.296 8.001 0.295 18323 5923 1 16 . 1 1 34 34 ASN N N 111 122.809 122.809 119.148 3.661 18323 5924 1 16 . 1 1 34 34 ASN HA H 111 4.619 4.619 4.449 0.170 18323 5925 1 16 . 1 1 34 34 ASN C C 111 176.698 176.698 177.342 -0.644 18323 5926 1 16 . 1 1 34 34 ASN CA C 111 55.832 55.832 55.331 0.501 18323 5927 1 16 . 1 1 34 34 ASN CB C 111 38.252 38.252 38.329 -0.077 18323 5928 1 16 . 1 1 34 34 ASN H H 111 7.936 7.936 8.142 -0.206 18323 5929 1 16 . 1 1 35 35 LEU N N 112 118.523 118.523 117.873 0.650 18323 5930 1 16 . 1 1 35 35 LEU HA H 112 4.322 4.322 4.110 0.212 18323 5931 1 16 . 1 1 35 35 LEU C C 112 177.205 177.205 177.851 -0.646 18323 5932 1 16 . 1 1 35 35 LEU CA C 112 55.246 55.246 56.366 -1.120 18323 5933 1 16 . 1 1 35 35 LEU CB C 112 42.354 42.354 42.396 -0.042 18323 5934 1 16 . 1 1 35 35 LEU H H 112 7.815 7.815 8.166 -0.351 18323 5935 1 16 . 1 1 36 36 GLY N N 113 107.203 107.203 103.840 3.363 18323 5936 1 16 . 1 1 36 36 GLY C C 113 174.354 174.354 174.770 -0.416 18323 5937 1 16 . 1 1 36 36 GLY CA C 113 45.284 45.284 44.508 0.776 18323 5938 1 16 . 1 1 36 36 GLY H H 113 7.853 7.853 7.291 0.562 18323 5939 1 16 . 1 1 37 37 GLU N N 114 120.199 120.199 121.398 -1.199 18323 5940 1 16 . 1 1 37 37 GLU HA H 114 4.435 4.435 4.332 0.102 18323 5941 1 16 . 1 1 37 37 GLU C C 114 175.359 175.359 175.932 -0.573 18323 5942 1 16 . 1 1 37 37 GLU CA C 114 54.660 54.660 55.863 -1.203 18323 5943 1 16 . 1 1 37 37 GLU CB C 114 30.634 30.634 30.429 0.205 18323 5944 1 16 . 1 1 37 37 GLU H H 114 7.909 7.909 7.711 0.198 18323 5945 1 16 . 1 1 38 38 LYS N N 115 124.425 124.425 122.417 2.008 18323 5946 1 16 . 1 1 38 38 LYS HA H 115 4.372 4.372 4.400 -0.028 18323 5947 1 16 . 1 1 38 38 LYS C C 115 175.464 175.464 175.423 0.041 18323 5948 1 16 . 1 1 38 38 LYS CA C 115 55.246 55.246 55.834 -0.588 18323 5949 1 16 . 1 1 38 38 LYS CB C 115 31.806 31.806 32.360 -0.554 18323 5950 1 16 . 1 1 38 38 LYS H H 115 8.642 8.642 8.435 0.207 18323 5951 1 16 . 1 1 39 39 LEU N N 116 125.258 125.258 121.527 3.731 18323 5952 1 16 . 1 1 39 39 LEU HA H 116 4.742 4.742 4.435 0.307 18323 5953 1 16 . 1 1 39 39 LEU C C 116 178.351 178.351 176.950 1.401 18323 5954 1 16 . 1 1 39 39 LEU CA C 116 54.074 54.074 55.313 -1.239 18323 5955 1 16 . 1 1 39 39 LEU CB C 116 44.112 44.112 42.983 1.129 18323 5956 1 16 . 1 1 39 39 LEU H H 116 8.102 8.102 7.770 0.332 18323 5957 1 16 . 1 1 40 40 THR N N 117 114.811 114.811 112.462 2.349 18323 5958 1 16 . 1 1 40 40 THR HA H 117 4.744 4.744 4.608 0.136 18323 5959 1 16 . 1 1 40 40 THR C C 117 175.522 175.522 175.112 0.410 18323 5960 1 16 . 1 1 40 40 THR CA C 117 60.520 60.520 60.255 0.265 18323 5961 1 16 . 1 1 40 40 THR CB C 117 71.068 71.068 71.662 -0.594 18323 5962 1 16 . 1 1 40 40 THR H H 117 9.297 9.297 8.168 1.129 18323 5963 1 16 . 1 1 41 41 ASP N N 118 121.232 121.232 125.531 -4.299 18323 5964 1 16 . 1 1 41 41 ASP C C 118 178.644 178.644 177.999 0.645 18323 5965 1 16 . 1 1 41 41 ASP CA C 118 57.590 57.590 57.205 0.385 18323 5966 1 16 . 1 1 41 41 ASP CB C 118 39.424 39.424 39.637 -0.213 18323 5967 1 16 . 1 1 41 41 ASP H H 118 8.967 8.967 8.985 -0.018 18323 5968 1 16 . 1 1 42 42 GLU N N 119 119.357 119.357 119.030 0.327 18323 5969 1 16 . 1 1 42 42 GLU HA H 119 4.051 4.051 4.083 -0.032 18323 5970 1 16 . 1 1 42 42 GLU C C 119 178.847 178.847 178.924 -0.077 18323 5971 1 16 . 1 1 42 42 GLU CA C 119 59.934 59.934 59.036 0.898 18323 5972 1 16 . 1 1 42 42 GLU CB C 119 28.876 28.876 29.180 -0.304 18323 5973 1 16 . 1 1 42 42 GLU H H 119 8.679 8.679 8.751 -0.072 18323 5974 1 16 . 1 1 43 43 GLU N N 120 118.761 118.761 120.913 -2.152 18323 5975 1 16 . 1 1 43 43 GLU HA H 120 4.003 4.003 4.151 -0.148 18323 5976 1 16 . 1 1 43 43 GLU C C 120 179.996 179.996 178.698 1.298 18323 5977 1 16 . 1 1 43 43 GLU CA C 120 59.348 59.348 58.772 0.576 18323 5978 1 16 . 1 1 43 43 GLU CB C 120 30.048 30.048 29.731 0.317 18323 5979 1 16 . 1 1 43 43 GLU H H 120 7.998 7.998 8.072 -0.074 18323 5980 1 16 . 1 1 44 44 VAL N N 121 121.165 121.165 121.480 -0.315 18323 5981 1 16 . 1 1 44 44 VAL HA H 121 3.439 3.439 3.553 -0.114 18323 5982 1 16 . 1 1 44 44 VAL C C 121 177.489 177.489 177.519 -0.030 18323 5983 1 16 . 1 1 44 44 VAL CA C 121 66.966 66.966 67.432 -0.466 18323 5984 1 16 . 1 1 44 44 VAL CB C 121 31.220 31.220 31.899 -0.679 18323 5985 1 16 . 1 1 44 44 VAL H H 121 8.051 8.051 8.546 -0.495 18323 5986 1 16 . 1 1 45 45 ASP N N 122 119.507 119.507 118.234 1.273 18323 5987 1 16 . 1 1 45 45 ASP HA H 122 4.338 4.338 4.276 0.062 18323 5988 1 16 . 1 1 45 45 ASP C C 122 179.226 179.226 178.644 0.582 18323 5989 1 16 . 1 1 45 45 ASP CA C 122 57.590 57.590 57.436 0.154 18323 5990 1 16 . 1 1 45 45 ASP CB C 122 40.596 40.596 40.699 -0.103 18323 5991 1 16 . 1 1 45 45 ASP H H 122 8.092 8.092 7.863 0.229 18323 5992 1 16 . 1 1 46 46 GLU N N 123 119.871 119.871 119.295 0.576 18323 5993 1 16 . 1 1 46 46 GLU HA H 123 4.033 4.033 4.112 -0.079 18323 5994 1 16 . 1 1 46 46 GLU C C 123 178.612 178.612 178.546 0.066 18323 5995 1 16 . 1 1 46 46 GLU CA C 123 59.348 59.348 58.455 0.893 18323 5996 1 16 . 1 1 46 46 GLU CB C 123 29.462 29.462 29.743 -0.281 18323 5997 1 16 . 1 1 46 46 GLU H H 123 8.131 8.131 7.493 0.638 18323 5998 1 16 . 1 1 47 47 MET N N 124 119.395 119.395 120.853 -1.458 18323 5999 1 16 . 1 1 47 47 MET CA C 124 60.520 60.520 59.969 0.551 18323 6000 1 16 . 1 1 47 47 MET CB C 124 32.978 32.978 32.647 0.331 18323 6001 1 16 . 1 1 47 47 MET H H 124 7.781 7.781 8.266 -0.485 18323 6002 1 16 . 1 1 48 48 ILE HA H 125 4.234 4.234 3.663 0.571 18323 6003 1 16 . 1 1 48 48 ILE C C 125 177.530 177.530 177.888 -0.358 18323 6004 1 16 . 1 1 48 48 ILE CA C 125 63.450 63.450 65.292 -1.842 18323 6005 1 16 . 1 1 48 48 ILE CB C 125 35.908 35.908 37.597 -1.690 18323 6006 1 16 . 1 1 49 49 ARG N N 126 118.403 118.403 119.155 -0.752 18323 6007 1 16 . 1 1 49 49 ARG HA H 126 4.105 4.105 3.935 0.170 18323 6008 1 16 . 1 1 49 49 ARG C C 126 178.928 178.928 178.125 0.803 18323 6009 1 16 . 1 1 49 49 ARG CA C 126 59.934 59.934 59.066 0.868 18323 6010 1 16 . 1 1 49 49 ARG CB C 126 30.414 30.414 29.620 0.794 18323 6011 1 16 . 1 1 49 49 ARG H H 126 8.555 8.555 7.628 0.927 18323 6012 1 16 . 1 1 50 50 GLU N N 127 116.347 116.347 117.366 -1.019 18323 6013 1 16 . 1 1 50 50 GLU HA H 127 4.039 4.039 4.145 -0.106 18323 6014 1 16 . 1 1 50 50 GLU C C 127 176.941 176.941 177.955 -1.014 18323 6015 1 16 . 1 1 50 50 GLU CA C 127 58.762 58.762 58.518 0.244 18323 6016 1 16 . 1 1 50 50 GLU CB C 127 30.048 30.048 30.045 0.003 18323 6017 1 16 . 1 1 50 50 GLU H H 127 7.990 7.990 7.706 0.284 18323 6018 1 16 . 1 1 51 51 ALA N N 128 117.251 117.251 121.201 -3.950 18323 6019 1 16 . 1 1 51 51 ALA HA H 128 4.456 4.456 4.124 0.332 18323 6020 1 16 . 1 1 51 51 ALA C C 128 177.757 177.757 178.024 -0.267 18323 6021 1 16 . 1 1 51 51 ALA CA C 128 51.730 51.730 53.673 -1.943 18323 6022 1 16 . 1 1 51 51 ALA CB C 128 21.844 21.844 19.159 2.685 18323 6023 1 16 . 1 1 51 51 ALA H H 128 7.126 7.126 7.611 -0.485 18323 6024 1 16 . 1 1 52 52 ASP N N 129 117.909 117.909 118.215 -0.306 18323 6025 1 16 . 1 1 52 52 ASP HA H 129 4.502 4.502 4.428 0.074 18323 6026 1 16 . 1 1 52 52 ASP C C 129 175.854 175.854 176.134 -0.280 18323 6027 1 16 . 1 1 52 52 ASP CA C 129 54.074 54.074 55.500 -1.426 18323 6028 1 16 . 1 1 52 52 ASP CB C 129 40.596 40.596 41.166 -0.570 18323 6029 1 16 . 1 1 52 52 ASP H H 129 7.962 7.962 8.317 -0.355 18323 6030 1 16 . 1 1 53 53 ILE N N 130 127.900 127.900 123.938 3.962 18323 6031 1 16 . 1 1 53 53 ILE C C 130 177.995 177.995 176.797 1.198 18323 6032 1 16 . 1 1 53 53 ILE CA C 130 63.450 63.450 61.836 1.614 18323 6033 1 16 . 1 1 53 53 ILE CB C 130 38.838 38.838 38.712 0.126 18323 6034 1 16 . 1 1 53 53 ILE H H 130 8.261 8.261 8.102 0.159 18323 6035 1 16 . 1 1 54 54 ASP N N 131 116.678 116.678 118.550 -1.872 18323 6036 1 16 . 1 1 54 54 ASP HA H 131 4.541 4.541 4.739 -0.198 18323 6037 1 16 . 1 1 54 54 ASP C C 131 178.283 178.283 177.211 1.072 18323 6038 1 16 . 1 1 54 54 ASP CA C 131 54.074 54.074 54.404 -0.330 18323 6039 1 16 . 1 1 54 54 ASP CB C 131 40.010 40.010 41.417 -1.407 18323 6040 1 16 . 1 1 54 54 ASP H H 131 8.372 8.372 8.362 0.010 18323 6041 1 16 . 1 1 55 55 GLY N N 132 108.866 108.866 109.653 -0.787 18323 6042 1 16 . 1 1 55 55 GLY C C 132 175.365 175.365 174.580 0.785 18323 6043 1 16 . 1 1 55 55 GLY CA C 132 47.628 47.628 46.173 1.455 18323 6044 1 16 . 1 1 55 55 GLY H H 132 7.679 7.679 8.837 -1.158 18323 6045 1 16 . 1 1 56 56 ASP N N 133 120.968 120.968 118.652 2.316 18323 6046 1 16 . 1 1 56 56 ASP HA H 133 4.493 4.493 4.643 -0.150 18323 6047 1 16 . 1 1 56 56 ASP C C 133 177.582 177.582 177.458 0.124 18323 6048 1 16 . 1 1 56 56 ASP CA C 133 53.488 53.488 52.547 0.941 18323 6049 1 16 . 1 1 56 56 ASP CB C 133 40.010 40.010 40.154 -0.144 18323 6050 1 16 . 1 1 56 56 ASP H H 133 8.415 8.415 8.232 0.183 18323 6051 1 16 . 1 1 57 57 GLY N N 134 112.821 112.821 108.669 4.152 18323 6052 1 16 . 1 1 57 57 GLY C C 134 172.847 172.847 173.236 -0.389 18323 6053 1 16 . 1 1 57 57 GLY CA C 134 45.870 45.870 46.007 -0.137 18323 6054 1 16 . 1 1 57 57 GLY H H 134 10.300 10.300 8.424 1.876 18323 6055 1 16 . 1 1 58 58 GLN N N 135 115.391 115.391 116.299 -0.908 18323 6056 1 16 . 1 1 58 58 GLN HA H 135 5.003 5.003 5.053 -0.050 18323 6057 1 16 . 1 1 58 58 GLN C C 135 175.019 175.019 174.109 0.910 18323 6058 1 16 . 1 1 58 58 GLN CA C 135 52.902 52.902 54.260 -1.358 18323 6059 1 16 . 1 1 58 58 GLN CB C 135 32.978 32.978 33.158 -0.180 18323 6060 1 16 . 1 1 58 58 GLN H H 135 8.022 8.022 7.303 0.719 18323 6061 1 16 . 1 1 59 59 VAL N N 136 125.596 125.596 117.753 7.843 18323 6062 1 16 . 1 1 59 59 VAL HA H 136 5.134 5.134 4.646 0.488 18323 6063 1 16 . 1 1 59 59 VAL C C 136 175.912 175.912 174.959 0.953 18323 6064 1 16 . 1 1 59 59 VAL CA C 136 61.613 61.613 59.783 1.830 18323 6065 1 16 . 1 1 59 59 VAL CB C 136 33.694 33.694 35.266 -1.572 18323 6066 1 16 . 1 1 59 59 VAL H H 136 9.176 9.176 8.339 0.837 18323 6067 1 16 . 1 1 60 60 ASN N N 137 129.229 129.229 123.611 5.618 18323 6068 1 16 . 1 1 60 60 ASN HA H 137 5.371 5.371 4.328 1.043 18323 6069 1 16 . 1 1 60 60 ASN C C 137 174.805 174.805 176.528 -1.723 18323 6070 1 16 . 1 1 60 60 ASN CA C 137 51.144 51.144 52.958 -1.813 18323 6071 1 16 . 1 1 60 60 ASN CB C 137 38.252 38.252 38.372 -0.120 18323 6072 1 16 . 1 1 60 60 ASN H H 137 9.576 9.576 8.310 1.266 18323 6073 1 16 . 1 1 61 61 TYR N N 138 118.597 118.597 119.357 -0.760 18323 6074 1 16 . 1 1 61 61 TYR C C 138 176.119 176.119 177.777 -1.658 18323 6075 1 16 . 1 1 61 61 TYR CA C 138 62.278 62.278 62.153 0.125 18323 6076 1 16 . 1 1 61 61 TYR CB C 138 37.666 37.666 37.855 -0.189 18323 6077 1 16 . 1 1 61 61 TYR H H 138 8.268 8.268 8.454 -0.186 18323 6078 1 16 . 1 1 62 62 GLU N N 139 118.441 118.441 120.193 -1.752 18323 6079 1 16 . 1 1 62 62 GLU HA H 139 4.123 4.123 3.976 0.147 18323 6080 1 16 . 1 1 62 62 GLU C C 139 179.189 179.189 178.749 0.440 18323 6081 1 16 . 1 1 62 62 GLU CA C 139 59.934 59.934 60.133 -0.199 18323 6082 1 16 . 1 1 62 62 GLU CB C 139 28.876 28.876 28.799 0.077 18323 6083 1 16 . 1 1 62 62 GLU H H 139 8.087 8.087 8.999 -0.912 18323 6084 1 16 . 1 1 63 63 GLU N N 140 120.992 120.992 117.355 3.637 18323 6085 1 16 . 1 1 63 63 GLU HA H 140 3.914 3.914 4.066 -0.152 18323 6086 1 16 . 1 1 63 63 GLU C C 140 179.328 179.328 178.104 1.224 18323 6087 1 16 . 1 1 63 63 GLU CA C 140 58.762 58.762 59.133 -0.371 18323 6088 1 16 . 1 1 63 63 GLU CB C 140 29.462 29.462 29.231 0.231 18323 6089 1 16 . 1 1 63 63 GLU H H 140 7.761 7.761 8.758 -0.997 18323 6090 1 16 . 1 1 64 64 PHE N N 141 123.798 123.798 118.330 5.468 18323 6091 1 16 . 1 1 64 64 PHE C C 141 176.843 176.843 177.094 -0.251 18323 6092 1 16 . 1 1 64 64 PHE CA C 141 61.692 61.692 60.478 1.214 18323 6093 1 16 . 1 1 64 64 PHE CB C 141 39.917 39.917 40.099 -0.182 18323 6094 1 16 . 1 1 64 64 PHE H H 141 8.529 8.529 7.337 1.192 18323 6095 1 16 . 1 1 65 65 VAL N N 142 119.218 119.218 120.572 -1.354 18323 6096 1 16 . 1 1 65 65 VAL C C 142 179.497 179.497 178.030 1.467 18323 6097 1 16 . 1 1 65 65 VAL CA C 142 66.966 66.966 64.470 2.496 18323 6098 1 16 . 1 1 65 65 VAL CB C 142 31.220 31.220 31.232 -0.012 18323 6099 1 16 . 1 1 65 65 VAL H H 142 8.672 8.672 8.847 -0.175 18323 6100 1 16 . 1 1 66 66 GLN N N 143 118.362 118.362 119.516 -1.154 18323 6101 1 16 . 1 1 66 66 GLN HA H 143 3.845 3.845 4.018 -0.173 18323 6102 1 16 . 1 1 66 66 GLN C C 143 177.881 177.881 179.157 -1.276 18323 6103 1 16 . 1 1 66 66 GLN CA C 143 58.762 58.762 59.127 -0.365 18323 6104 1 16 . 1 1 66 66 GLN CB C 143 27.704 27.704 28.419 -0.715 18323 6105 1 16 . 1 1 66 66 GLN H H 143 7.550 7.550 8.593 -1.043 18323 6106 1 16 . 1 1 67 67 MET N N 144 116.720 116.720 118.366 -1.646 18323 6107 1 16 . 1 1 67 67 MET C C 144 177.803 177.803 178.206 -0.403 18323 6108 1 16 . 1 1 67 67 MET CA C 144 56.418 56.418 58.518 -2.100 18323 6109 1 16 . 1 1 67 67 MET CB C 144 31.806 31.806 32.628 -0.822 18323 6110 1 16 . 1 1 67 67 MET H H 144 7.300 7.300 7.461 -0.161 18323 6111 1 16 . 1 1 68 68 MET N N 145 116.116 116.116 117.610 -1.494 18323 6112 1 16 . 1 1 68 68 MET HA H 145 4.115 4.115 4.067 0.048 18323 6113 1 16 . 1 1 68 68 MET C C 145 177.203 177.203 177.869 -0.666 18323 6114 1 16 . 1 1 68 68 MET CA C 145 56.418 56.418 58.422 -2.005 18323 6115 1 16 . 1 1 68 68 MET CB C 145 31.806 31.806 32.464 -0.658 18323 6116 1 16 . 1 1 68 68 MET H H 145 7.732 7.732 8.038 -0.306 18323 6117 1 16 . 1 1 69 69 THR N N 146 108.868 108.868 107.641 1.227 18323 6118 1 16 . 1 1 69 69 THR HA H 146 4.288 4.288 4.471 -0.183 18323 6119 1 16 . 1 1 69 69 THR C C 146 174.154 174.154 174.335 -0.181 18323 6120 1 16 . 1 1 69 69 THR CA C 146 61.692 61.692 60.558 1.134 18323 6121 1 16 . 1 1 69 69 THR CB C 146 69.896 69.896 69.030 0.866 18323 6122 1 16 . 1 1 69 69 THR H H 146 7.649 7.649 7.588 0.061 18323 6123 1 16 . 1 1 70 70 ALA N N 147 126.934 126.934 124.457 2.477 18323 6124 1 16 . 1 1 70 70 ALA HA H 147 4.287 4.287 4.190 0.097 18323 6125 1 16 . 1 1 70 70 ALA C C 147 176.686 176.686 177.322 -0.636 18323 6126 1 16 . 1 1 70 70 ALA CA C 147 52.902 52.902 52.765 0.137 18323 6127 1 16 . 1 1 70 70 ALA CB C 147 18.914 18.914 19.682 -0.768 18323 6128 1 16 . 1 1 70 70 ALA H H 147 7.546 7.546 8.311 -0.765 18323 6129 1 17 . 1 1 2 2 THR N N 79 114.287 114.287 116.399 -2.112 18323 6130 1 17 . 1 1 2 2 THR HA H 79 4.281 4.281 4.467 -0.186 18323 6131 1 17 . 1 1 2 2 THR C C 79 174.598 174.598 174.389 0.209 18323 6132 1 17 . 1 1 2 2 THR CA C 79 62.278 62.278 61.846 0.432 18323 6133 1 17 . 1 1 2 2 THR CB C 79 69.310 69.310 69.796 -0.486 18323 6134 1 17 . 1 1 2 2 THR H H 79 8.299 8.299 7.800 0.499 18323 6135 1 17 . 1 1 3 3 ASP N N 80 122.311 122.311 122.409 -0.098 18323 6136 1 17 . 1 1 3 3 ASP C C 80 176.788 176.788 176.570 0.218 18323 6137 1 17 . 1 1 3 3 ASP CA C 80 54.660 54.660 54.096 0.564 18323 6138 1 17 . 1 1 3 3 ASP CB C 80 41.182 41.182 40.975 0.207 18323 6139 1 17 . 1 1 3 3 ASP H H 80 8.447 8.447 8.303 0.144 18323 6140 1 17 . 1 1 4 4 SER N N 81 116.934 116.934 115.725 1.209 18323 6141 1 17 . 1 1 4 4 SER HA H 81 4.022 4.022 4.178 -0.156 18323 6142 1 17 . 1 1 4 4 SER C C 81 175.337 175.337 175.113 0.224 18323 6143 1 17 . 1 1 4 4 SER CA C 81 58.762 58.762 58.666 0.096 18323 6144 1 17 . 1 1 4 4 SER CB C 81 64.036 64.036 62.070 1.966 18323 6145 1 17 . 1 1 4 4 SER H H 81 8.351 8.351 8.449 -0.098 18323 6146 1 17 . 1 1 5 5 GLU N N 82 123.423 123.423 123.976 -0.553 18323 6147 1 17 . 1 1 5 5 GLU HA H 82 4.112 4.112 3.795 0.317 18323 6148 1 17 . 1 1 5 5 GLU C C 82 178.067 178.067 177.656 0.411 18323 6149 1 17 . 1 1 5 5 GLU CA C 82 59.348 59.348 59.490 -0.142 18323 6150 1 17 . 1 1 5 5 GLU CB C 82 46.749 46.749 29.692 17.057 18323 6151 1 17 . 1 1 5 5 GLU H H 82 8.588 8.588 8.935 -0.347 18323 6152 1 17 . 1 1 6 6 GLU N N 83 118.987 118.987 119.230 -0.243 18323 6153 1 17 . 1 1 6 6 GLU CA C 83 59.348 59.348 59.244 0.104 18323 6154 1 17 . 1 1 6 6 GLU CB C 83 29.462 29.462 28.949 0.513 18323 6155 1 17 . 1 1 6 6 GLU H H 83 8.412 8.412 8.294 0.118 18323 6156 1 17 . 1 1 7 7 GLU HA H 84 4.116 4.116 4.019 0.097 18323 6157 1 17 . 1 1 7 7 GLU C C 84 178.969 178.969 179.179 -0.210 18323 6158 1 17 . 1 1 7 7 GLU CA C 84 59.348 59.348 59.267 0.081 18323 6159 1 17 . 1 1 7 7 GLU CB C 84 29.462 29.462 29.484 -0.022 18323 6160 1 17 . 1 1 8 8 ILE N N 85 121.839 121.839 118.744 3.095 18323 6161 1 17 . 1 1 8 8 ILE HA H 85 3.917 3.917 3.778 0.139 18323 6162 1 17 . 1 1 8 8 ILE C C 85 178.283 178.283 178.680 -0.397 18323 6163 1 17 . 1 1 8 8 ILE CA C 85 65.208 65.208 65.120 0.089 18323 6164 1 17 . 1 1 8 8 ILE CB C 85 37.080 37.080 37.951 -0.871 18323 6165 1 17 . 1 1 8 8 ILE H H 85 8.001 8.001 7.449 0.552 18323 6166 1 17 . 1 1 9 9 ARG N N 86 121.328 121.328 119.637 1.691 18323 6167 1 17 . 1 1 9 9 ARG HA H 86 4.260 4.260 3.992 0.268 18323 6168 1 17 . 1 1 9 9 ARG C C 86 179.291 179.291 178.675 0.616 18323 6169 1 17 . 1 1 9 9 ARG CA C 86 59.934 59.934 59.345 0.589 18323 6170 1 17 . 1 1 9 9 ARG CB C 86 29.462 29.462 29.493 -0.031 18323 6171 1 17 . 1 1 9 9 ARG H H 86 8.544 8.544 8.259 0.285 18323 6172 1 17 . 1 1 10 10 GLU N N 87 118.332 118.332 117.373 0.959 18323 6173 1 17 . 1 1 10 10 GLU HA H 87 4.116 4.116 4.232 -0.117 18323 6174 1 17 . 1 1 10 10 GLU C C 87 179.498 179.498 178.193 1.305 18323 6175 1 17 . 1 1 10 10 GLU CA C 87 59.348 59.348 57.940 1.408 18323 6176 1 17 . 1 1 10 10 GLU CB C 87 29.462 29.462 29.144 0.318 18323 6177 1 17 . 1 1 10 10 GLU H H 87 8.225 8.225 7.919 0.306 18323 6178 1 17 . 1 1 11 11 ALA N N 88 121.839 121.839 123.284 -1.445 18323 6179 1 17 . 1 1 11 11 ALA HA H 88 4.243 4.243 3.832 0.411 18323 6180 1 17 . 1 1 11 11 ALA C C 88 176.715 176.715 179.234 -2.519 18323 6181 1 17 . 1 1 11 11 ALA CA C 88 55.246 55.246 54.830 0.416 18323 6182 1 17 . 1 1 11 11 ALA CB C 88 18.136 18.136 18.296 -0.160 18323 6183 1 17 . 1 1 11 11 ALA H H 88 8.001 8.001 8.203 -0.202 18323 6184 1 17 . 1 1 12 12 PHE N N 89 118.794 118.794 118.318 0.476 18323 6185 1 17 . 1 1 12 12 PHE HA H 89 4.934 4.934 4.239 0.695 18323 6186 1 17 . 1 1 12 12 PHE C C 89 177.370 177.370 178.196 -0.826 18323 6187 1 17 . 1 1 12 12 PHE CA C 89 62.278 62.278 62.554 -0.276 18323 6188 1 17 . 1 1 12 12 PHE CB C 89 39.424 39.424 38.667 0.757 18323 6189 1 17 . 1 1 12 12 PHE H H 89 8.630 8.630 7.986 0.644 18323 6190 1 17 . 1 1 13 13 ARG N N 90 115.837 115.837 118.436 -2.599 18323 6191 1 17 . 1 1 13 13 ARG HA H 90 3.862 3.862 4.016 -0.154 18323 6192 1 17 . 1 1 13 13 ARG C C 90 177.590 177.590 177.450 0.140 18323 6193 1 17 . 1 1 13 13 ARG CA C 90 58.762 58.762 59.751 -0.988 18323 6194 1 17 . 1 1 13 13 ARG CB C 90 30.048 30.048 30.051 -0.003 18323 6195 1 17 . 1 1 13 13 ARG H H 90 7.891 7.891 7.469 0.422 18323 6196 1 17 . 1 1 14 14 VAL N N 91 118.382 118.382 117.617 0.765 18323 6197 1 17 . 1 1 14 14 VAL C C 91 176.343 176.343 177.890 -1.547 18323 6198 1 17 . 1 1 14 14 VAL CA C 91 65.794 65.794 65.566 0.228 18323 6199 1 17 . 1 1 14 14 VAL CB C 91 31.220 31.220 31.427 -0.207 18323 6200 1 17 . 1 1 14 14 VAL H H 91 7.407 7.407 7.093 0.314 18323 6201 1 17 . 1 1 15 15 PHE N N 92 114.257 114.257 116.709 -2.452 18323 6202 1 17 . 1 1 15 15 PHE HA H 92 4.661 4.661 4.242 0.419 18323 6203 1 17 . 1 1 15 15 PHE C C 92 176.378 176.378 177.273 -0.895 18323 6204 1 17 . 1 1 15 15 PHE CA C 92 59.934 59.934 58.441 1.493 18323 6205 1 17 . 1 1 15 15 PHE CB C 92 41.182 41.182 38.424 2.758 18323 6206 1 17 . 1 1 15 15 PHE H H 92 6.892 6.892 7.837 -0.945 18323 6207 1 17 . 1 1 16 16 ASP N N 93 116.288 116.288 119.693 -3.405 18323 6208 1 17 . 1 1 16 16 ASP HA H 93 4.617 4.617 4.887 -0.270 18323 6209 1 17 . 1 1 16 16 ASP C C 93 177.695 177.695 177.892 -0.197 18323 6210 1 17 . 1 1 16 16 ASP CA C 93 51.730 51.730 54.189 -2.459 18323 6211 1 17 . 1 1 16 16 ASP CB C 93 38.838 38.838 39.374 -0.536 18323 6212 1 17 . 1 1 16 16 ASP H H 93 7.847 7.847 8.596 -0.749 18323 6213 1 17 . 1 1 17 17 LYS N N 94 125.440 125.440 123.130 2.310 18323 6214 1 17 . 1 1 17 17 LYS HA H 94 3.889 3.889 3.998 -0.109 18323 6215 1 17 . 1 1 17 17 LYS C C 94 178.290 178.290 177.848 0.442 18323 6216 1 17 . 1 1 17 17 LYS CA C 94 58.762 58.762 59.055 -0.293 18323 6217 1 17 . 1 1 17 17 LYS CB C 94 32.392 32.392 32.408 -0.016 18323 6218 1 17 . 1 1 17 17 LYS H H 94 7.662 7.662 8.757 -1.095 18323 6219 1 17 . 1 1 18 18 ASP N N 95 114.292 114.292 116.460 -2.168 18323 6220 1 17 . 1 1 18 18 ASP HA H 95 4.567 4.567 4.629 -0.062 18323 6221 1 17 . 1 1 18 18 ASP C C 95 177.826 177.826 176.453 1.373 18323 6222 1 17 . 1 1 18 18 ASP CA C 95 52.902 52.902 54.102 -1.200 18323 6223 1 17 . 1 1 18 18 ASP CB C 95 39.424 39.424 39.934 -0.510 18323 6224 1 17 . 1 1 18 18 ASP H H 95 8.336 8.336 7.880 0.456 18323 6225 1 17 . 1 1 19 19 GLY N N 96 109.374 109.374 108.061 1.313 18323 6226 1 17 . 1 1 19 19 GLY C C 96 175.145 175.145 174.988 0.157 18323 6227 1 17 . 1 1 19 19 GLY CA C 96 47.042 47.042 46.221 0.821 18323 6228 1 17 . 1 1 19 19 GLY H H 96 7.797 7.797 8.181 -0.384 18323 6229 1 17 . 1 1 20 20 ASN N N 97 119.964 119.964 118.459 1.505 18323 6230 1 17 . 1 1 20 20 ASN HA H 97 4.670 4.670 4.721 -0.051 18323 6231 1 17 . 1 1 20 20 ASN C C 97 176.120 176.120 176.582 -0.462 18323 6232 1 17 . 1 1 20 20 ASN CA C 97 52.316 52.316 51.787 0.529 18323 6233 1 17 . 1 1 20 20 ASN CB C 97 38.252 38.252 38.812 -0.560 18323 6234 1 17 . 1 1 20 20 ASN H H 97 8.430 8.430 8.854 -0.424 18323 6235 1 17 . 1 1 21 21 GLY N N 98 112.726 112.726 107.407 5.319 18323 6236 1 17 . 1 1 21 21 GLY C C 98 172.751 172.751 172.726 0.025 18323 6237 1 17 . 1 1 21 21 GLY CA C 98 44.698 44.698 45.986 -1.288 18323 6238 1 17 . 1 1 21 21 GLY H H 98 10.638 10.638 8.446 2.192 18323 6239 1 17 . 1 1 22 22 TYR N N 99 116.415 116.415 115.121 1.294 18323 6240 1 17 . 1 1 22 22 TYR C C 99 174.795 174.795 174.297 0.498 18323 6241 1 17 . 1 1 22 22 TYR CA C 99 56.418 56.418 56.518 -0.100 18323 6242 1 17 . 1 1 22 22 TYR CB C 99 42.940 42.940 42.138 0.802 18323 6243 1 17 . 1 1 22 22 TYR H H 99 7.708 7.708 8.690 -0.982 18323 6244 1 17 . 1 1 23 23 ILE N N 100 127.488 127.488 121.763 5.725 18323 6245 1 17 . 1 1 23 23 ILE C C 100 175.543 175.543 175.196 0.347 18323 6246 1 17 . 1 1 23 23 ILE CA C 100 61.106 61.106 59.416 1.690 18323 6247 1 17 . 1 1 23 23 ILE CB C 100 39.424 39.424 37.813 1.611 18323 6248 1 17 . 1 1 23 23 ILE H H 100 10.197 10.197 8.775 1.422 18323 6249 1 17 . 1 1 24 24 SER N N 101 123.860 123.860 121.799 2.061 18323 6250 1 17 . 1 1 24 24 SER HA H 101 4.973 4.973 4.865 0.108 18323 6251 1 17 . 1 1 24 24 SER C C 101 175.300 175.300 175.078 0.222 18323 6252 1 17 . 1 1 24 24 SER CA C 101 55.832 55.832 56.547 -0.715 18323 6253 1 17 . 1 1 24 24 SER CB C 101 66.966 66.966 65.579 1.387 18323 6254 1 17 . 1 1 24 24 SER H H 101 8.998 8.998 9.107 -0.109 18323 6255 1 17 . 1 1 25 25 ALA N N 102 123.328 123.328 125.943 -2.615 18323 6256 1 17 . 1 1 25 25 ALA HA H 102 3.938 3.938 4.050 -0.112 18323 6257 1 17 . 1 1 25 25 ALA C C 102 179.324 179.324 179.237 0.087 18323 6258 1 17 . 1 1 25 25 ALA CA C 102 55.832 55.832 55.311 0.521 18323 6259 1 17 . 1 1 25 25 ALA CB C 102 17.742 17.742 18.477 -0.735 18323 6260 1 17 . 1 1 25 25 ALA H H 102 9.377 9.377 8.900 0.477 18323 6261 1 17 . 1 1 26 26 ALA N N 103 118.536 118.536 120.172 -1.636 18323 6262 1 17 . 1 1 26 26 ALA HA H 103 4.054 4.054 4.107 -0.053 18323 6263 1 17 . 1 1 26 26 ALA C C 103 181.535 181.535 180.007 1.528 18323 6264 1 17 . 1 1 26 26 ALA CA C 103 55.246 55.246 54.927 0.319 18323 6265 1 17 . 1 1 26 26 ALA CB C 103 18.328 18.328 18.074 0.254 18323 6266 1 17 . 1 1 26 26 ALA H H 103 8.317 8.317 8.548 -0.231 18323 6267 1 17 . 1 1 27 27 GLU N N 104 120.419 120.419 118.344 2.075 18323 6268 1 17 . 1 1 27 27 GLU HA H 104 4.033 4.033 4.094 -0.061 18323 6269 1 17 . 1 1 27 27 GLU C C 104 178.950 178.950 179.001 -0.051 18323 6270 1 17 . 1 1 27 27 GLU CA C 104 59.348 59.348 59.018 0.330 18323 6271 1 17 . 1 1 27 27 GLU CB C 104 28.876 28.876 29.441 -0.565 18323 6272 1 17 . 1 1 27 27 GLU H H 104 7.977 7.977 7.763 0.214 18323 6273 1 17 . 1 1 28 28 LEU N N 105 120.658 120.658 119.438 1.220 18323 6274 1 17 . 1 1 28 28 LEU HA H 105 4.178 4.178 3.946 0.232 18323 6275 1 17 . 1 1 28 28 LEU C C 105 178.402 178.402 178.913 -0.511 18323 6276 1 17 . 1 1 28 28 LEU CA C 105 58.176 58.176 57.747 0.429 18323 6277 1 17 . 1 1 28 28 LEU CB C 105 41.768 41.768 41.360 0.408 18323 6278 1 17 . 1 1 28 28 LEU H H 105 8.500 8.500 7.415 1.085 18323 6279 1 17 . 1 1 29 29 ARG N N 106 117.807 117.807 117.884 -0.077 18323 6280 1 17 . 1 1 29 29 ARG HA H 106 4.042 4.042 3.946 0.096 18323 6281 1 17 . 1 1 29 29 ARG C C 106 177.506 177.506 178.610 -1.104 18323 6282 1 17 . 1 1 29 29 ARG CA C 106 59.934 59.934 59.387 0.547 18323 6283 1 17 . 1 1 29 29 ARG CB C 106 30.634 30.634 29.429 1.205 18323 6284 1 17 . 1 1 29 29 ARG H H 106 8.727 8.727 7.744 0.983 18323 6285 1 17 . 1 1 30 30 HIS N N 107 119.849 119.849 119.687 0.162 18323 6286 1 17 . 1 1 30 30 HIS C C 107 177.862 177.862 177.676 0.186 18323 6287 1 17 . 1 1 30 30 HIS CA C 107 59.934 59.934 59.921 0.013 18323 6288 1 17 . 1 1 30 30 HIS CB C 107 30.634 30.634 29.964 0.670 18323 6289 1 17 . 1 1 30 30 HIS H H 107 8.030 8.030 7.966 0.064 18323 6290 1 17 . 1 1 31 31 VAL N N 108 119.784 119.784 119.583 0.201 18323 6291 1 17 . 1 1 31 31 VAL C C 108 178.437 178.437 177.914 0.523 18323 6292 1 17 . 1 1 31 31 VAL CA C 108 66.966 66.966 66.303 0.663 18323 6293 1 17 . 1 1 31 31 VAL CB C 108 31.806 31.806 31.966 -0.160 18323 6294 1 17 . 1 1 31 31 VAL H H 108 8.322 8.322 8.187 0.135 18323 6295 1 17 . 1 1 32 32 MET N N 109 115.699 115.699 118.616 -2.917 18323 6296 1 17 . 1 1 32 32 MET HA H 109 4.343 4.343 4.158 0.185 18323 6297 1 17 . 1 1 32 32 MET C C 109 179.296 179.296 178.727 0.569 18323 6298 1 17 . 1 1 32 32 MET CA C 109 57.004 57.004 58.590 -1.586 18323 6299 1 17 . 1 1 32 32 MET CB C 109 29.462 29.462 31.358 -1.896 18323 6300 1 17 . 1 1 32 32 MET H H 109 8.397 8.397 8.698 -0.301 18323 6301 1 17 . 1 1 33 33 THR N N 110 116.362 116.362 115.629 0.733 18323 6302 1 17 . 1 1 33 33 THR C C 110 178.290 178.290 176.674 1.616 18323 6303 1 17 . 1 1 33 33 THR CA C 110 66.380 66.380 66.296 0.084 18323 6304 1 17 . 1 1 33 33 THR CB C 110 68.724 68.724 68.373 0.351 18323 6305 1 17 . 1 1 33 33 THR H H 110 8.296 8.296 8.221 0.075 18323 6306 1 17 . 1 1 34 34 ASN N N 111 122.809 122.809 119.120 3.689 18323 6307 1 17 . 1 1 34 34 ASN HA H 111 4.619 4.619 4.441 0.178 18323 6308 1 17 . 1 1 34 34 ASN C C 111 176.698 176.698 177.305 -0.607 18323 6309 1 17 . 1 1 34 34 ASN CA C 111 55.832 55.832 55.287 0.545 18323 6310 1 17 . 1 1 34 34 ASN CB C 111 38.252 38.252 38.298 -0.047 18323 6311 1 17 . 1 1 34 34 ASN H H 111 7.936 7.936 7.973 -0.037 18323 6312 1 17 . 1 1 35 35 LEU N N 112 118.523 118.523 117.914 0.609 18323 6313 1 17 . 1 1 35 35 LEU HA H 112 4.322 4.322 4.122 0.200 18323 6314 1 17 . 1 1 35 35 LEU C C 112 177.205 177.205 178.076 -0.871 18323 6315 1 17 . 1 1 35 35 LEU CA C 112 55.246 55.246 56.497 -1.251 18323 6316 1 17 . 1 1 35 35 LEU CB C 112 42.354 42.354 42.569 -0.215 18323 6317 1 17 . 1 1 35 35 LEU H H 112 7.815 7.815 8.163 -0.348 18323 6318 1 17 . 1 1 36 36 GLY N N 113 107.203 107.203 103.317 3.886 18323 6319 1 17 . 1 1 36 36 GLY C C 113 174.354 174.354 174.946 -0.592 18323 6320 1 17 . 1 1 36 36 GLY CA C 113 45.284 45.284 44.578 0.706 18323 6321 1 17 . 1 1 36 36 GLY H H 113 7.853 7.853 7.647 0.206 18323 6322 1 17 . 1 1 37 37 GLU N N 114 120.199 120.199 121.750 -1.551 18323 6323 1 17 . 1 1 37 37 GLU HA H 114 4.435 4.435 4.278 0.157 18323 6324 1 17 . 1 1 37 37 GLU C C 114 175.359 175.359 176.153 -0.794 18323 6325 1 17 . 1 1 37 37 GLU CA C 114 54.660 54.660 56.294 -1.634 18323 6326 1 17 . 1 1 37 37 GLU CB C 114 30.634 30.634 30.431 0.203 18323 6327 1 17 . 1 1 37 37 GLU H H 114 7.909 7.909 7.978 -0.069 18323 6328 1 17 . 1 1 38 38 LYS N N 115 124.425 124.425 121.219 3.206 18323 6329 1 17 . 1 1 38 38 LYS HA H 115 4.372 4.372 4.521 -0.149 18323 6330 1 17 . 1 1 38 38 LYS C C 115 175.464 175.464 175.475 -0.011 18323 6331 1 17 . 1 1 38 38 LYS CA C 115 55.246 55.246 55.597 -0.351 18323 6332 1 17 . 1 1 38 38 LYS CB C 115 31.806 31.806 31.692 0.114 18323 6333 1 17 . 1 1 38 38 LYS H H 115 8.642 8.642 8.473 0.169 18323 6334 1 17 . 1 1 39 39 LEU N N 116 125.258 125.258 117.661 7.597 18323 6335 1 17 . 1 1 39 39 LEU HA H 116 4.742 4.742 4.615 0.127 18323 6336 1 17 . 1 1 39 39 LEU C C 116 178.351 178.351 177.127 1.224 18323 6337 1 17 . 1 1 39 39 LEU CA C 116 54.074 54.074 53.368 0.706 18323 6338 1 17 . 1 1 39 39 LEU CB C 116 44.112 44.112 42.056 2.056 18323 6339 1 17 . 1 1 39 39 LEU H H 116 8.102 8.102 7.642 0.460 18323 6340 1 17 . 1 1 40 40 THR N N 117 114.811 114.811 108.880 5.931 18323 6341 1 17 . 1 1 40 40 THR HA H 117 4.744 4.744 4.564 0.180 18323 6342 1 17 . 1 1 40 40 THR C C 117 175.522 175.522 175.080 0.442 18323 6343 1 17 . 1 1 40 40 THR CA C 117 60.520 60.520 60.590 -0.070 18323 6344 1 17 . 1 1 40 40 THR CB C 117 71.068 71.068 72.187 -1.119 18323 6345 1 17 . 1 1 40 40 THR H H 117 9.297 9.297 8.106 1.191 18323 6346 1 17 . 1 1 41 41 ASP N N 118 121.232 121.232 124.721 -3.489 18323 6347 1 17 . 1 1 41 41 ASP C C 118 178.644 178.644 178.206 0.438 18323 6348 1 17 . 1 1 41 41 ASP CA C 118 57.590 57.590 57.654 -0.064 18323 6349 1 17 . 1 1 41 41 ASP CB C 118 39.424 39.424 40.520 -1.096 18323 6350 1 17 . 1 1 41 41 ASP H H 118 8.967 8.967 9.002 -0.035 18323 6351 1 17 . 1 1 42 42 GLU N N 119 119.357 119.357 118.037 1.320 18323 6352 1 17 . 1 1 42 42 GLU HA H 119 4.051 4.051 4.079 -0.028 18323 6353 1 17 . 1 1 42 42 GLU C C 119 178.847 178.847 178.879 -0.032 18323 6354 1 17 . 1 1 42 42 GLU CA C 119 59.934 59.934 59.163 0.771 18323 6355 1 17 . 1 1 42 42 GLU CB C 119 28.876 28.876 29.265 -0.389 18323 6356 1 17 . 1 1 42 42 GLU H H 119 8.679 8.679 8.789 -0.110 18323 6357 1 17 . 1 1 43 43 GLU N N 120 118.761 118.761 120.674 -1.913 18323 6358 1 17 . 1 1 43 43 GLU HA H 120 4.003 4.003 4.144 -0.141 18323 6359 1 17 . 1 1 43 43 GLU C C 120 179.996 179.996 178.626 1.370 18323 6360 1 17 . 1 1 43 43 GLU CA C 120 59.348 59.348 58.848 0.500 18323 6361 1 17 . 1 1 43 43 GLU CB C 120 30.048 30.048 29.537 0.511 18323 6362 1 17 . 1 1 43 43 GLU H H 120 7.998 7.998 7.429 0.569 18323 6363 1 17 . 1 1 44 44 VAL N N 121 121.165 121.165 121.624 -0.459 18323 6364 1 17 . 1 1 44 44 VAL HA H 121 3.439 3.439 3.629 -0.190 18323 6365 1 17 . 1 1 44 44 VAL C C 121 177.489 177.489 177.755 -0.266 18323 6366 1 17 . 1 1 44 44 VAL CA C 121 66.966 66.966 67.360 -0.394 18323 6367 1 17 . 1 1 44 44 VAL CB C 121 31.220 31.220 31.458 -0.238 18323 6368 1 17 . 1 1 44 44 VAL H H 121 8.051 8.051 8.232 -0.181 18323 6369 1 17 . 1 1 45 45 ASP N N 122 119.507 119.507 118.171 1.336 18323 6370 1 17 . 1 1 45 45 ASP HA H 122 4.338 4.338 4.233 0.105 18323 6371 1 17 . 1 1 45 45 ASP C C 122 179.226 179.226 178.755 0.471 18323 6372 1 17 . 1 1 45 45 ASP CA C 122 57.590 57.590 57.493 0.097 18323 6373 1 17 . 1 1 45 45 ASP CB C 122 40.596 40.596 40.749 -0.153 18323 6374 1 17 . 1 1 45 45 ASP H H 122 8.092 8.092 7.824 0.268 18323 6375 1 17 . 1 1 46 46 GLU N N 123 119.871 119.871 119.261 0.610 18323 6376 1 17 . 1 1 46 46 GLU HA H 123 4.033 4.033 4.122 -0.089 18323 6377 1 17 . 1 1 46 46 GLU C C 123 178.612 178.612 178.565 0.047 18323 6378 1 17 . 1 1 46 46 GLU CA C 123 59.348 59.348 58.370 0.978 18323 6379 1 17 . 1 1 46 46 GLU CB C 123 29.462 29.462 29.773 -0.311 18323 6380 1 17 . 1 1 46 46 GLU H H 123 8.131 8.131 7.465 0.666 18323 6381 1 17 . 1 1 47 47 MET N N 124 119.395 119.395 121.278 -1.883 18323 6382 1 17 . 1 1 47 47 MET CA C 124 60.520 60.520 59.999 0.521 18323 6383 1 17 . 1 1 47 47 MET CB C 124 32.978 32.978 32.654 0.324 18323 6384 1 17 . 1 1 47 47 MET H H 124 7.781 7.781 8.498 -0.717 18323 6385 1 17 . 1 1 48 48 ILE HA H 125 4.234 4.234 3.682 0.552 18323 6386 1 17 . 1 1 48 48 ILE C C 125 177.530 177.530 178.070 -0.540 18323 6387 1 17 . 1 1 48 48 ILE CA C 125 63.450 63.450 65.269 -1.819 18323 6388 1 17 . 1 1 48 48 ILE CB C 125 35.908 35.908 37.536 -1.629 18323 6389 1 17 . 1 1 49 49 ARG N N 126 118.403 118.403 119.383 -0.980 18323 6390 1 17 . 1 1 49 49 ARG HA H 126 4.105 4.105 3.977 0.128 18323 6391 1 17 . 1 1 49 49 ARG C C 126 178.928 178.928 178.172 0.756 18323 6392 1 17 . 1 1 49 49 ARG CA C 126 59.934 59.934 58.874 1.060 18323 6393 1 17 . 1 1 49 49 ARG CB C 126 30.414 30.414 29.734 0.680 18323 6394 1 17 . 1 1 49 49 ARG H H 126 8.555 8.555 7.613 0.942 18323 6395 1 17 . 1 1 50 50 GLU N N 127 116.347 116.347 117.130 -0.783 18323 6396 1 17 . 1 1 50 50 GLU HA H 127 4.039 4.039 4.207 -0.168 18323 6397 1 17 . 1 1 50 50 GLU C C 127 176.941 176.941 177.778 -0.837 18323 6398 1 17 . 1 1 50 50 GLU CA C 127 58.762 58.762 58.414 0.348 18323 6399 1 17 . 1 1 50 50 GLU CB C 127 30.048 30.048 30.294 -0.246 18323 6400 1 17 . 1 1 50 50 GLU H H 127 7.990 7.990 8.112 -0.122 18323 6401 1 17 . 1 1 51 51 ALA N N 128 117.251 117.251 121.349 -4.098 18323 6402 1 17 . 1 1 51 51 ALA HA H 128 4.456 4.456 4.143 0.313 18323 6403 1 17 . 1 1 51 51 ALA C C 128 177.757 177.757 177.872 -0.115 18323 6404 1 17 . 1 1 51 51 ALA CA C 128 51.730 51.730 53.817 -2.087 18323 6405 1 17 . 1 1 51 51 ALA CB C 128 21.844 21.844 19.285 2.558 18323 6406 1 17 . 1 1 51 51 ALA H H 128 7.126 7.126 8.018 -0.892 18323 6407 1 17 . 1 1 52 52 ASP N N 129 117.909 117.909 117.578 0.331 18323 6408 1 17 . 1 1 52 52 ASP HA H 129 4.502 4.502 4.447 0.055 18323 6409 1 17 . 1 1 52 52 ASP C C 129 175.854 175.854 176.283 -0.429 18323 6410 1 17 . 1 1 52 52 ASP CA C 129 54.074 54.074 55.447 -1.373 18323 6411 1 17 . 1 1 52 52 ASP CB C 129 40.596 40.596 41.536 -0.940 18323 6412 1 17 . 1 1 52 52 ASP H H 129 7.962 7.962 8.156 -0.194 18323 6413 1 17 . 1 1 53 53 ILE N N 130 127.900 127.900 123.345 4.555 18323 6414 1 17 . 1 1 53 53 ILE C C 130 177.995 177.995 176.800 1.195 18323 6415 1 17 . 1 1 53 53 ILE CA C 130 63.450 63.450 62.266 1.185 18323 6416 1 17 . 1 1 53 53 ILE CB C 130 38.838 38.838 38.746 0.092 18323 6417 1 17 . 1 1 53 53 ILE H H 130 8.261 8.261 8.222 0.039 18323 6418 1 17 . 1 1 54 54 ASP N N 131 116.678 116.678 118.497 -1.819 18323 6419 1 17 . 1 1 54 54 ASP HA H 131 4.541 4.541 4.809 -0.268 18323 6420 1 17 . 1 1 54 54 ASP C C 131 178.283 178.283 176.758 1.525 18323 6421 1 17 . 1 1 54 54 ASP CA C 131 54.074 54.074 53.345 0.729 18323 6422 1 17 . 1 1 54 54 ASP CB C 131 40.010 40.010 42.003 -1.993 18323 6423 1 17 . 1 1 54 54 ASP H H 131 8.372 8.372 8.962 -0.590 18323 6424 1 17 . 1 1 55 55 GLY N N 132 108.866 108.866 109.817 -0.951 18323 6425 1 17 . 1 1 55 55 GLY C C 132 175.365 175.365 175.236 0.129 18323 6426 1 17 . 1 1 55 55 GLY CA C 132 47.628 47.628 46.198 1.430 18323 6427 1 17 . 1 1 55 55 GLY H H 132 7.679 7.679 8.539 -0.860 18323 6428 1 17 . 1 1 56 56 ASP N N 133 120.968 120.968 119.764 1.204 18323 6429 1 17 . 1 1 56 56 ASP HA H 133 4.493 4.493 4.599 -0.106 18323 6430 1 17 . 1 1 56 56 ASP C C 133 177.582 177.582 177.802 -0.220 18323 6431 1 17 . 1 1 56 56 ASP CA C 133 53.488 53.488 52.285 1.203 18323 6432 1 17 . 1 1 56 56 ASP CB C 133 40.010 40.010 40.400 -0.390 18323 6433 1 17 . 1 1 56 56 ASP H H 133 8.415 8.415 7.981 0.434 18323 6434 1 17 . 1 1 57 57 GLY N N 134 112.821 112.821 107.962 4.859 18323 6435 1 17 . 1 1 57 57 GLY C C 134 172.847 172.847 173.641 -0.794 18323 6436 1 17 . 1 1 57 57 GLY CA C 134 45.870 45.870 46.068 -0.198 18323 6437 1 17 . 1 1 57 57 GLY H H 134 10.300 10.300 8.711 1.589 18323 6438 1 17 . 1 1 58 58 GLN N N 135 115.391 115.391 118.237 -2.846 18323 6439 1 17 . 1 1 58 58 GLN HA H 135 5.003 5.003 4.740 0.263 18323 6440 1 17 . 1 1 58 58 GLN C C 135 175.019 175.019 174.905 0.114 18323 6441 1 17 . 1 1 58 58 GLN CA C 135 52.902 52.902 53.727 -0.825 18323 6442 1 17 . 1 1 58 58 GLN CB C 135 32.978 32.978 30.502 2.476 18323 6443 1 17 . 1 1 58 58 GLN H H 135 8.022 8.022 7.603 0.419 18323 6444 1 17 . 1 1 59 59 VAL N N 136 125.596 125.596 124.593 1.003 18323 6445 1 17 . 1 1 59 59 VAL HA H 136 5.134 5.134 4.210 0.924 18323 6446 1 17 . 1 1 59 59 VAL C C 136 175.912 175.912 176.035 -0.123 18323 6447 1 17 . 1 1 59 59 VAL CA C 136 61.613 61.613 60.888 0.725 18323 6448 1 17 . 1 1 59 59 VAL CB C 136 33.694 33.694 32.645 1.049 18323 6449 1 17 . 1 1 59 59 VAL H H 136 9.176 9.176 8.049 1.127 18323 6450 1 17 . 1 1 60 60 ASN N N 137 129.229 129.229 124.637 4.592 18323 6451 1 17 . 1 1 60 60 ASN HA H 137 5.371 5.371 4.453 0.918 18323 6452 1 17 . 1 1 60 60 ASN C C 137 174.805 174.805 176.808 -2.003 18323 6453 1 17 . 1 1 60 60 ASN CA C 137 51.144 51.144 52.747 -1.603 18323 6454 1 17 . 1 1 60 60 ASN CB C 137 38.252 38.252 38.913 -0.661 18323 6455 1 17 . 1 1 60 60 ASN H H 137 9.576 9.576 8.297 1.279 18323 6456 1 17 . 1 1 61 61 TYR N N 138 118.597 118.597 119.478 -0.881 18323 6457 1 17 . 1 1 61 61 TYR C C 138 176.119 176.119 177.720 -1.601 18323 6458 1 17 . 1 1 61 61 TYR CA C 138 62.278 62.278 62.182 0.096 18323 6459 1 17 . 1 1 61 61 TYR CB C 138 37.666 37.666 37.885 -0.218 18323 6460 1 17 . 1 1 61 61 TYR H H 138 8.268 8.268 8.533 -0.265 18323 6461 1 17 . 1 1 62 62 GLU N N 139 118.441 118.441 120.153 -1.712 18323 6462 1 17 . 1 1 62 62 GLU HA H 139 4.123 4.123 4.244 -0.121 18323 6463 1 17 . 1 1 62 62 GLU C C 139 179.189 179.189 179.058 0.131 18323 6464 1 17 . 1 1 62 62 GLU CA C 139 59.934 59.934 59.923 0.011 18323 6465 1 17 . 1 1 62 62 GLU CB C 139 28.876 28.876 28.773 0.103 18323 6466 1 17 . 1 1 62 62 GLU H H 139 8.087 8.087 9.003 -0.916 18323 6467 1 17 . 1 1 63 63 GLU N N 140 120.992 120.992 117.741 3.251 18323 6468 1 17 . 1 1 63 63 GLU HA H 140 3.914 3.914 4.084 -0.170 18323 6469 1 17 . 1 1 63 63 GLU C C 140 179.328 179.328 179.022 0.306 18323 6470 1 17 . 1 1 63 63 GLU CA C 140 58.762 58.762 59.298 -0.536 18323 6471 1 17 . 1 1 63 63 GLU CB C 140 29.462 29.462 29.296 0.167 18323 6472 1 17 . 1 1 63 63 GLU H H 140 7.761 7.761 8.896 -1.135 18323 6473 1 17 . 1 1 64 64 PHE N N 141 123.798 123.798 118.998 4.800 18323 6474 1 17 . 1 1 64 64 PHE C C 141 176.843 176.843 176.919 -0.076 18323 6475 1 17 . 1 1 64 64 PHE CA C 141 61.692 61.692 60.661 1.031 18323 6476 1 17 . 1 1 64 64 PHE CB C 141 39.917 39.917 40.030 -0.113 18323 6477 1 17 . 1 1 64 64 PHE H H 141 8.529 8.529 7.557 0.972 18323 6478 1 17 . 1 1 65 65 VAL N N 142 119.218 119.218 119.386 -0.168 18323 6479 1 17 . 1 1 65 65 VAL C C 142 179.497 179.497 177.250 2.247 18323 6480 1 17 . 1 1 65 65 VAL CA C 142 66.966 66.966 65.655 1.311 18323 6481 1 17 . 1 1 65 65 VAL CB C 142 31.220 31.220 31.053 0.167 18323 6482 1 17 . 1 1 65 65 VAL H H 142 8.672 8.672 8.878 -0.206 18323 6483 1 17 . 1 1 66 66 GLN N N 143 118.362 118.362 118.542 -0.180 18323 6484 1 17 . 1 1 66 66 GLN HA H 143 3.845 3.845 4.108 -0.263 18323 6485 1 17 . 1 1 66 66 GLN C C 143 177.881 177.881 177.438 0.443 18323 6486 1 17 . 1 1 66 66 GLN CA C 143 58.762 58.762 58.147 0.615 18323 6487 1 17 . 1 1 66 66 GLN CB C 143 27.704 27.704 29.094 -1.390 18323 6488 1 17 . 1 1 66 66 GLN H H 143 7.550 7.550 7.840 -0.290 18323 6489 1 17 . 1 1 67 67 MET N N 144 116.720 116.720 116.267 0.453 18323 6490 1 17 . 1 1 67 67 MET C C 144 177.803 177.803 177.174 0.629 18323 6491 1 17 . 1 1 67 67 MET CA C 144 56.418 56.418 57.064 -0.646 18323 6492 1 17 . 1 1 67 67 MET CB C 144 31.806 31.806 32.894 -1.088 18323 6493 1 17 . 1 1 67 67 MET H H 144 7.300 7.300 7.448 -0.148 18323 6494 1 17 . 1 1 68 68 MET N N 145 116.116 116.116 116.943 -0.827 18323 6495 1 17 . 1 1 68 68 MET HA H 145 4.115 4.115 4.145 -0.030 18323 6496 1 17 . 1 1 68 68 MET C C 145 177.203 177.203 176.954 0.249 18323 6497 1 17 . 1 1 68 68 MET CA C 145 56.418 56.418 55.589 0.829 18323 6498 1 17 . 1 1 68 68 MET CB C 145 31.806 31.806 32.802 -0.996 18323 6499 1 17 . 1 1 68 68 MET H H 145 7.732 7.732 7.203 0.529 18323 6500 1 17 . 1 1 69 69 THR N N 146 108.868 108.868 113.982 -5.114 18323 6501 1 17 . 1 1 69 69 THR HA H 146 4.288 4.288 4.110 0.178 18323 6502 1 17 . 1 1 69 69 THR C C 146 174.154 174.154 174.889 -0.735 18323 6503 1 17 . 1 1 69 69 THR CA C 146 61.692 61.692 62.846 -1.155 18323 6504 1 17 . 1 1 69 69 THR CB C 146 69.896 69.896 69.009 0.887 18323 6505 1 17 . 1 1 69 69 THR H H 146 7.649 7.649 8.184 -0.535 18323 6506 1 17 . 1 1 70 70 ALA N N 147 126.934 126.934 125.418 1.516 18323 6507 1 17 . 1 1 70 70 ALA HA H 147 4.287 4.287 4.278 0.009 18323 6508 1 17 . 1 1 70 70 ALA C C 147 176.686 176.686 177.763 -1.077 18323 6509 1 17 . 1 1 70 70 ALA CA C 147 52.902 52.902 51.958 0.944 18323 6510 1 17 . 1 1 70 70 ALA CB C 147 18.914 18.914 19.181 -0.267 18323 6511 1 17 . 1 1 70 70 ALA H H 147 7.546 7.546 7.658 -0.112 18323 6512 1 18 . 1 1 2 2 THR N N 79 114.287 114.287 112.928 1.359 18323 6513 1 18 . 1 1 2 2 THR HA H 79 4.281 4.281 4.638 -0.357 18323 6514 1 18 . 1 1 2 2 THR C C 79 174.598 174.598 174.007 0.591 18323 6515 1 18 . 1 1 2 2 THR CA C 79 62.278 62.278 61.571 0.708 18323 6516 1 18 . 1 1 2 2 THR CB C 79 69.310 69.310 71.039 -1.729 18323 6517 1 18 . 1 1 2 2 THR H H 79 8.299 8.299 7.986 0.313 18323 6518 1 18 . 1 1 3 3 ASP N N 80 122.311 122.311 121.141 1.170 18323 6519 1 18 . 1 1 3 3 ASP C C 80 176.788 176.788 177.590 -0.802 18323 6520 1 18 . 1 1 3 3 ASP CA C 80 54.660 54.660 54.596 0.064 18323 6521 1 18 . 1 1 3 3 ASP CB C 80 41.182 41.182 41.335 -0.153 18323 6522 1 18 . 1 1 3 3 ASP H H 80 8.447 8.447 8.693 -0.246 18323 6523 1 18 . 1 1 4 4 SER N N 81 116.934 116.934 115.633 1.301 18323 6524 1 18 . 1 1 4 4 SER HA H 81 4.022 4.022 4.020 0.002 18323 6525 1 18 . 1 1 4 4 SER C C 81 175.337 175.337 176.290 -0.953 18323 6526 1 18 . 1 1 4 4 SER CA C 81 58.762 58.762 60.755 -1.993 18323 6527 1 18 . 1 1 4 4 SER CB C 81 64.036 64.036 62.186 1.850 18323 6528 1 18 . 1 1 4 4 SER H H 81 8.351 8.351 8.285 0.066 18323 6529 1 18 . 1 1 5 5 GLU N N 82 123.423 123.423 121.401 2.022 18323 6530 1 18 . 1 1 5 5 GLU HA H 82 4.112 4.112 3.856 0.256 18323 6531 1 18 . 1 1 5 5 GLU C C 82 178.067 178.067 178.067 0.000 18323 6532 1 18 . 1 1 5 5 GLU CA C 82 59.348 59.348 59.375 -0.027 18323 6533 1 18 . 1 1 5 5 GLU CB C 82 46.749 46.749 29.646 17.103 18323 6534 1 18 . 1 1 5 5 GLU H H 82 8.588 8.588 8.508 0.080 18323 6535 1 18 . 1 1 6 6 GLU N N 83 118.987 118.987 119.057 -0.070 18323 6536 1 18 . 1 1 6 6 GLU CA C 83 59.348 59.348 59.276 0.072 18323 6537 1 18 . 1 1 6 6 GLU CB C 83 29.462 29.462 29.210 0.252 18323 6538 1 18 . 1 1 6 6 GLU H H 83 8.412 8.412 7.640 0.772 18323 6539 1 18 . 1 1 7 7 GLU HA H 84 4.116 4.116 4.074 0.042 18323 6540 1 18 . 1 1 7 7 GLU C C 84 178.969 178.969 179.148 -0.179 18323 6541 1 18 . 1 1 7 7 GLU CA C 84 59.348 59.348 59.308 0.040 18323 6542 1 18 . 1 1 7 7 GLU CB C 84 29.462 29.462 29.159 0.303 18323 6543 1 18 . 1 1 8 8 ILE N N 85 121.839 121.839 118.998 2.841 18323 6544 1 18 . 1 1 8 8 ILE HA H 85 3.917 3.917 3.758 0.159 18323 6545 1 18 . 1 1 8 8 ILE C C 85 178.283 178.283 178.358 -0.075 18323 6546 1 18 . 1 1 8 8 ILE CA C 85 65.208 65.208 65.383 -0.175 18323 6547 1 18 . 1 1 8 8 ILE CB C 85 37.080 37.080 37.597 -0.517 18323 6548 1 18 . 1 1 8 8 ILE H H 85 8.001 8.001 7.383 0.618 18323 6549 1 18 . 1 1 9 9 ARG N N 86 121.328 121.328 119.089 2.239 18323 6550 1 18 . 1 1 9 9 ARG HA H 86 4.260 4.260 3.931 0.329 18323 6551 1 18 . 1 1 9 9 ARG C C 86 179.291 179.291 179.333 -0.042 18323 6552 1 18 . 1 1 9 9 ARG CA C 86 59.934 59.934 59.612 0.322 18323 6553 1 18 . 1 1 9 9 ARG CB C 86 29.462 29.462 29.862 -0.400 18323 6554 1 18 . 1 1 9 9 ARG H H 86 8.544 8.544 7.570 0.974 18323 6555 1 18 . 1 1 10 10 GLU N N 87 118.332 118.332 118.298 0.034 18323 6556 1 18 . 1 1 10 10 GLU HA H 87 4.116 4.116 4.290 -0.174 18323 6557 1 18 . 1 1 10 10 GLU C C 87 179.498 179.498 178.518 0.980 18323 6558 1 18 . 1 1 10 10 GLU CA C 87 59.348 59.348 58.281 1.067 18323 6559 1 18 . 1 1 10 10 GLU CB C 87 29.462 29.462 29.355 0.107 18323 6560 1 18 . 1 1 10 10 GLU H H 87 8.225 8.225 7.827 0.398 18323 6561 1 18 . 1 1 11 11 ALA N N 88 121.839 121.839 124.369 -2.530 18323 6562 1 18 . 1 1 11 11 ALA HA H 88 4.243 4.243 4.145 0.098 18323 6563 1 18 . 1 1 11 11 ALA C C 88 176.715 176.715 179.526 -2.811 18323 6564 1 18 . 1 1 11 11 ALA CA C 88 55.246 55.246 55.475 -0.229 18323 6565 1 18 . 1 1 11 11 ALA CB C 88 18.136 18.136 18.321 -0.185 18323 6566 1 18 . 1 1 11 11 ALA H H 88 8.001 8.001 8.073 -0.072 18323 6567 1 18 . 1 1 12 12 PHE N N 89 118.794 118.794 116.462 2.332 18323 6568 1 18 . 1 1 12 12 PHE HA H 89 4.934 4.934 4.050 0.884 18323 6569 1 18 . 1 1 12 12 PHE C C 89 177.370 177.370 178.280 -0.910 18323 6570 1 18 . 1 1 12 12 PHE CA C 89 62.278 62.278 62.411 -0.133 18323 6571 1 18 . 1 1 12 12 PHE CB C 89 39.424 39.424 38.551 0.873 18323 6572 1 18 . 1 1 12 12 PHE H H 89 8.630 8.630 8.079 0.551 18323 6573 1 18 . 1 1 13 13 ARG N N 90 115.837 115.837 117.894 -2.057 18323 6574 1 18 . 1 1 13 13 ARG HA H 90 3.862 3.862 4.147 -0.285 18323 6575 1 18 . 1 1 13 13 ARG C C 90 177.590 177.590 178.045 -0.455 18323 6576 1 18 . 1 1 13 13 ARG CA C 90 58.762 58.762 57.879 0.883 18323 6577 1 18 . 1 1 13 13 ARG CB C 90 30.048 30.048 29.439 0.609 18323 6578 1 18 . 1 1 13 13 ARG H H 90 7.891 7.891 7.612 0.279 18323 6579 1 18 . 1 1 14 14 VAL N N 91 118.382 118.382 118.528 -0.146 18323 6580 1 18 . 1 1 14 14 VAL C C 91 176.343 176.343 178.309 -1.966 18323 6581 1 18 . 1 1 14 14 VAL CA C 91 65.794 65.794 66.118 -0.324 18323 6582 1 18 . 1 1 14 14 VAL CB C 91 31.220 31.220 31.770 -0.550 18323 6583 1 18 . 1 1 14 14 VAL H H 91 7.407 7.407 8.097 -0.690 18323 6584 1 18 . 1 1 15 15 PHE N N 92 114.257 114.257 117.881 -3.624 18323 6585 1 18 . 1 1 15 15 PHE HA H 92 4.661 4.661 4.250 0.411 18323 6586 1 18 . 1 1 15 15 PHE C C 92 176.378 176.378 177.143 -0.765 18323 6587 1 18 . 1 1 15 15 PHE CA C 92 59.934 59.934 60.264 -0.330 18323 6588 1 18 . 1 1 15 15 PHE CB C 92 41.182 41.182 38.863 2.319 18323 6589 1 18 . 1 1 15 15 PHE H H 92 6.892 6.892 8.374 -1.482 18323 6590 1 18 . 1 1 16 16 ASP N N 93 116.288 116.288 119.440 -3.152 18323 6591 1 18 . 1 1 16 16 ASP HA H 93 4.617 4.617 4.774 -0.157 18323 6592 1 18 . 1 1 16 16 ASP C C 93 177.695 177.695 177.624 0.071 18323 6593 1 18 . 1 1 16 16 ASP CA C 93 51.730 51.730 53.868 -2.138 18323 6594 1 18 . 1 1 16 16 ASP CB C 93 38.838 38.838 39.189 -0.351 18323 6595 1 18 . 1 1 16 16 ASP H H 93 7.847 7.847 8.265 -0.418 18323 6596 1 18 . 1 1 17 17 LYS N N 94 125.440 125.440 121.724 3.716 18323 6597 1 18 . 1 1 17 17 LYS HA H 94 3.889 3.889 3.986 -0.097 18323 6598 1 18 . 1 1 17 17 LYS C C 94 178.290 178.290 177.082 1.208 18323 6599 1 18 . 1 1 17 17 LYS CA C 94 58.762 58.762 59.080 -0.318 18323 6600 1 18 . 1 1 17 17 LYS CB C 94 32.392 32.392 32.570 -0.178 18323 6601 1 18 . 1 1 17 17 LYS H H 94 7.662 7.662 8.498 -0.836 18323 6602 1 18 . 1 1 18 18 ASP N N 95 114.292 114.292 116.797 -2.505 18323 6603 1 18 . 1 1 18 18 ASP HA H 95 4.567 4.567 4.609 -0.042 18323 6604 1 18 . 1 1 18 18 ASP C C 95 177.826 177.826 176.412 1.414 18323 6605 1 18 . 1 1 18 18 ASP CA C 95 52.902 52.902 53.863 -0.961 18323 6606 1 18 . 1 1 18 18 ASP CB C 95 39.424 39.424 39.625 -0.201 18323 6607 1 18 . 1 1 18 18 ASP H H 95 8.336 8.336 8.233 0.103 18323 6608 1 18 . 1 1 19 19 GLY N N 96 109.374 109.374 107.060 2.314 18323 6609 1 18 . 1 1 19 19 GLY C C 96 175.145 175.145 174.946 0.199 18323 6610 1 18 . 1 1 19 19 GLY CA C 96 47.042 47.042 46.356 0.686 18323 6611 1 18 . 1 1 19 19 GLY H H 96 7.797 7.797 7.622 0.175 18323 6612 1 18 . 1 1 20 20 ASN N N 97 119.964 119.964 117.701 2.263 18323 6613 1 18 . 1 1 20 20 ASN HA H 97 4.670 4.670 4.535 0.135 18323 6614 1 18 . 1 1 20 20 ASN C C 97 176.120 176.120 176.727 -0.607 18323 6615 1 18 . 1 1 20 20 ASN CA C 97 52.316 52.316 53.816 -1.500 18323 6616 1 18 . 1 1 20 20 ASN CB C 97 38.252 38.252 39.131 -0.879 18323 6617 1 18 . 1 1 20 20 ASN H H 97 8.430 8.430 8.410 0.020 18323 6618 1 18 . 1 1 21 21 GLY N N 98 112.726 112.726 106.781 5.945 18323 6619 1 18 . 1 1 21 21 GLY C C 98 172.751 172.751 172.939 -0.188 18323 6620 1 18 . 1 1 21 21 GLY CA C 98 44.698 44.698 45.643 -0.945 18323 6621 1 18 . 1 1 21 21 GLY H H 98 10.638 10.638 9.294 1.344 18323 6622 1 18 . 1 1 22 22 TYR N N 99 116.415 116.415 117.092 -0.677 18323 6623 1 18 . 1 1 22 22 TYR C C 99 174.795 174.795 174.520 0.275 18323 6624 1 18 . 1 1 22 22 TYR CA C 99 56.418 56.418 55.623 0.795 18323 6625 1 18 . 1 1 22 22 TYR CB C 99 42.940 42.940 41.360 1.580 18323 6626 1 18 . 1 1 22 22 TYR H H 99 7.708 7.708 7.397 0.311 18323 6627 1 18 . 1 1 23 23 ILE N N 100 127.488 127.488 123.048 4.440 18323 6628 1 18 . 1 1 23 23 ILE C C 100 175.543 175.543 175.533 0.010 18323 6629 1 18 . 1 1 23 23 ILE CA C 100 61.106 61.106 59.629 1.477 18323 6630 1 18 . 1 1 23 23 ILE CB C 100 39.424 39.424 36.596 2.828 18323 6631 1 18 . 1 1 23 23 ILE H H 100 10.197 10.197 8.876 1.321 18323 6632 1 18 . 1 1 24 24 SER N N 101 123.860 123.860 121.894 1.966 18323 6633 1 18 . 1 1 24 24 SER HA H 101 4.973 4.973 4.912 0.061 18323 6634 1 18 . 1 1 24 24 SER C C 101 175.300 175.300 175.335 -0.035 18323 6635 1 18 . 1 1 24 24 SER CA C 101 55.832 55.832 55.724 0.108 18323 6636 1 18 . 1 1 24 24 SER CB C 101 66.966 66.966 65.730 1.236 18323 6637 1 18 . 1 1 24 24 SER H H 101 8.998 8.998 8.682 0.316 18323 6638 1 18 . 1 1 25 25 ALA N N 102 123.328 123.328 126.065 -2.737 18323 6639 1 18 . 1 1 25 25 ALA HA H 102 3.938 3.938 4.142 -0.204 18323 6640 1 18 . 1 1 25 25 ALA C C 102 179.324 179.324 178.891 0.433 18323 6641 1 18 . 1 1 25 25 ALA CA C 102 55.832 55.832 55.138 0.694 18323 6642 1 18 . 1 1 25 25 ALA CB C 102 17.742 17.742 18.687 -0.945 18323 6643 1 18 . 1 1 25 25 ALA H H 102 9.377 9.377 9.037 0.340 18323 6644 1 18 . 1 1 26 26 ALA N N 103 118.536 118.536 120.519 -1.983 18323 6645 1 18 . 1 1 26 26 ALA HA H 103 4.054 4.054 3.923 0.131 18323 6646 1 18 . 1 1 26 26 ALA C C 103 181.535 181.535 179.440 2.095 18323 6647 1 18 . 1 1 26 26 ALA CA C 103 55.246 55.246 55.171 0.075 18323 6648 1 18 . 1 1 26 26 ALA CB C 103 18.328 18.328 18.468 -0.140 18323 6649 1 18 . 1 1 26 26 ALA H H 103 8.317 8.317 7.767 0.550 18323 6650 1 18 . 1 1 27 27 GLU N N 104 120.419 120.419 118.513 1.906 18323 6651 1 18 . 1 1 27 27 GLU HA H 104 4.033 4.033 4.108 -0.075 18323 6652 1 18 . 1 1 27 27 GLU C C 104 178.950 178.950 178.962 -0.012 18323 6653 1 18 . 1 1 27 27 GLU CA C 104 59.348 59.348 59.346 0.002 18323 6654 1 18 . 1 1 27 27 GLU CB C 104 28.876 28.876 29.294 -0.418 18323 6655 1 18 . 1 1 27 27 GLU H H 104 7.977 7.977 8.116 -0.139 18323 6656 1 18 . 1 1 28 28 LEU N N 105 120.658 120.658 119.152 1.506 18323 6657 1 18 . 1 1 28 28 LEU HA H 105 4.178 4.178 4.166 0.012 18323 6658 1 18 . 1 1 28 28 LEU C C 105 178.402 178.402 179.031 -0.629 18323 6659 1 18 . 1 1 28 28 LEU CA C 105 58.176 58.176 57.898 0.278 18323 6660 1 18 . 1 1 28 28 LEU CB C 105 41.768 41.768 41.433 0.335 18323 6661 1 18 . 1 1 28 28 LEU H H 105 8.500 8.500 7.357 1.143 18323 6662 1 18 . 1 1 29 29 ARG N N 106 117.807 117.807 117.586 0.221 18323 6663 1 18 . 1 1 29 29 ARG HA H 106 4.042 4.042 3.929 0.113 18323 6664 1 18 . 1 1 29 29 ARG C C 106 177.506 177.506 178.715 -1.209 18323 6665 1 18 . 1 1 29 29 ARG CA C 106 59.934 59.934 59.096 0.837 18323 6666 1 18 . 1 1 29 29 ARG CB C 106 30.634 30.634 29.411 1.223 18323 6667 1 18 . 1 1 29 29 ARG H H 106 8.727 8.727 7.479 1.248 18323 6668 1 18 . 1 1 30 30 HIS N N 107 119.849 119.849 119.451 0.398 18323 6669 1 18 . 1 1 30 30 HIS C C 107 177.862 177.862 177.811 0.051 18323 6670 1 18 . 1 1 30 30 HIS CA C 107 59.934 59.934 59.084 0.850 18323 6671 1 18 . 1 1 30 30 HIS CB C 107 30.634 30.634 29.918 0.716 18323 6672 1 18 . 1 1 30 30 HIS H H 107 8.030 8.030 7.623 0.407 18323 6673 1 18 . 1 1 31 31 VAL N N 108 119.784 119.784 120.788 -1.004 18323 6674 1 18 . 1 1 31 31 VAL C C 108 178.437 178.437 177.815 0.622 18323 6675 1 18 . 1 1 31 31 VAL CA C 108 66.966 66.966 65.699 1.267 18323 6676 1 18 . 1 1 31 31 VAL CB C 108 31.806 31.806 31.113 0.693 18323 6677 1 18 . 1 1 31 31 VAL H H 108 8.322 8.322 8.477 -0.155 18323 6678 1 18 . 1 1 32 32 MET N N 109 115.699 115.699 117.355 -1.656 18323 6679 1 18 . 1 1 32 32 MET HA H 109 4.343 4.343 4.116 0.227 18323 6680 1 18 . 1 1 32 32 MET C C 109 179.296 179.296 178.270 1.026 18323 6681 1 18 . 1 1 32 32 MET CA C 109 57.004 57.004 59.046 -2.042 18323 6682 1 18 . 1 1 32 32 MET CB C 109 29.462 29.462 31.208 -1.746 18323 6683 1 18 . 1 1 32 32 MET H H 109 8.397 8.397 8.343 0.054 18323 6684 1 18 . 1 1 33 33 THR N N 110 116.362 116.362 116.293 0.069 18323 6685 1 18 . 1 1 33 33 THR C C 110 178.290 178.290 176.486 1.804 18323 6686 1 18 . 1 1 33 33 THR CA C 110 66.380 66.380 66.855 -0.475 18323 6687 1 18 . 1 1 33 33 THR CB C 110 68.724 68.724 68.240 0.484 18323 6688 1 18 . 1 1 33 33 THR H H 110 8.296 8.296 7.662 0.634 18323 6689 1 18 . 1 1 34 34 ASN N N 111 122.809 122.809 119.919 2.890 18323 6690 1 18 . 1 1 34 34 ASN HA H 111 4.619 4.619 4.508 0.111 18323 6691 1 18 . 1 1 34 34 ASN C C 111 176.698 176.698 177.525 -0.827 18323 6692 1 18 . 1 1 34 34 ASN CA C 111 55.832 55.832 55.636 0.195 18323 6693 1 18 . 1 1 34 34 ASN CB C 111 38.252 38.252 38.696 -0.444 18323 6694 1 18 . 1 1 34 34 ASN H H 111 7.936 7.936 8.098 -0.162 18323 6695 1 18 . 1 1 35 35 LEU N N 112 118.523 118.523 117.793 0.730 18323 6696 1 18 . 1 1 35 35 LEU HA H 112 4.322 4.322 4.089 0.233 18323 6697 1 18 . 1 1 35 35 LEU C C 112 177.205 177.205 177.959 -0.754 18323 6698 1 18 . 1 1 35 35 LEU CA C 112 55.246 55.246 56.568 -1.322 18323 6699 1 18 . 1 1 35 35 LEU CB C 112 42.354 42.354 42.493 -0.139 18323 6700 1 18 . 1 1 35 35 LEU H H 112 7.815 7.815 8.307 -0.492 18323 6701 1 18 . 1 1 36 36 GLY N N 113 107.203 107.203 103.178 4.025 18323 6702 1 18 . 1 1 36 36 GLY C C 113 174.354 174.354 174.939 -0.585 18323 6703 1 18 . 1 1 36 36 GLY CA C 113 45.284 45.284 44.605 0.679 18323 6704 1 18 . 1 1 36 36 GLY H H 113 7.853 7.853 7.676 0.177 18323 6705 1 18 . 1 1 37 37 GLU N N 114 120.199 120.199 120.998 -0.799 18323 6706 1 18 . 1 1 37 37 GLU HA H 114 4.435 4.435 4.337 0.098 18323 6707 1 18 . 1 1 37 37 GLU C C 114 175.359 175.359 176.155 -0.796 18323 6708 1 18 . 1 1 37 37 GLU CA C 114 54.660 54.660 56.145 -1.486 18323 6709 1 18 . 1 1 37 37 GLU CB C 114 30.634 30.634 30.265 0.369 18323 6710 1 18 . 1 1 37 37 GLU H H 114 7.909 7.909 7.978 -0.069 18323 6711 1 18 . 1 1 38 38 LYS N N 115 124.425 124.425 120.372 4.053 18323 6712 1 18 . 1 1 38 38 LYS HA H 115 4.372 4.372 4.569 -0.197 18323 6713 1 18 . 1 1 38 38 LYS C C 115 175.464 175.464 175.641 -0.177 18323 6714 1 18 . 1 1 38 38 LYS CA C 115 55.246 55.246 54.736 0.510 18323 6715 1 18 . 1 1 38 38 LYS CB C 115 31.806 31.806 31.215 0.591 18323 6716 1 18 . 1 1 38 38 LYS H H 115 8.642 8.642 8.511 0.131 18323 6717 1 18 . 1 1 39 39 LEU N N 116 125.258 125.258 121.543 3.715 18323 6718 1 18 . 1 1 39 39 LEU HA H 116 4.742 4.742 4.320 0.422 18323 6719 1 18 . 1 1 39 39 LEU C C 116 178.351 178.351 177.576 0.775 18323 6720 1 18 . 1 1 39 39 LEU CA C 116 54.074 54.074 54.756 -0.682 18323 6721 1 18 . 1 1 39 39 LEU CB C 116 44.112 44.112 42.410 1.702 18323 6722 1 18 . 1 1 39 39 LEU H H 116 8.102 8.102 7.615 0.487 18323 6723 1 18 . 1 1 40 40 THR N N 117 114.811 114.811 115.029 -0.218 18323 6724 1 18 . 1 1 40 40 THR HA H 117 4.744 4.744 4.575 0.169 18323 6725 1 18 . 1 1 40 40 THR C C 117 175.522 175.522 174.603 0.919 18323 6726 1 18 . 1 1 40 40 THR CA C 117 60.520 60.520 60.784 -0.264 18323 6727 1 18 . 1 1 40 40 THR CB C 117 71.068 71.068 71.646 -0.578 18323 6728 1 18 . 1 1 40 40 THR H H 117 9.297 9.297 8.202 1.095 18323 6729 1 18 . 1 1 41 41 ASP N N 118 121.232 121.232 125.000 -3.768 18323 6730 1 18 . 1 1 41 41 ASP C C 118 178.644 178.644 177.913 0.731 18323 6731 1 18 . 1 1 41 41 ASP CA C 118 57.590 57.590 58.090 -0.500 18323 6732 1 18 . 1 1 41 41 ASP CB C 118 39.424 39.424 40.724 -1.300 18323 6733 1 18 . 1 1 41 41 ASP H H 118 8.967 8.967 8.973 -0.006 18323 6734 1 18 . 1 1 42 42 GLU N N 119 119.357 119.357 118.343 1.014 18323 6735 1 18 . 1 1 42 42 GLU HA H 119 4.051 4.051 4.109 -0.058 18323 6736 1 18 . 1 1 42 42 GLU C C 119 178.847 178.847 179.158 -0.311 18323 6737 1 18 . 1 1 42 42 GLU CA C 119 59.934 59.934 59.571 0.363 18323 6738 1 18 . 1 1 42 42 GLU CB C 119 28.876 28.876 29.300 -0.424 18323 6739 1 18 . 1 1 42 42 GLU H H 119 8.679 8.679 8.728 -0.049 18323 6740 1 18 . 1 1 43 43 GLU N N 120 118.761 118.761 119.616 -0.855 18323 6741 1 18 . 1 1 43 43 GLU HA H 120 4.003 4.003 4.098 -0.095 18323 6742 1 18 . 1 1 43 43 GLU C C 120 179.996 179.996 179.083 0.913 18323 6743 1 18 . 1 1 43 43 GLU CA C 120 59.348 59.348 59.233 0.115 18323 6744 1 18 . 1 1 43 43 GLU CB C 120 30.048 30.048 29.617 0.431 18323 6745 1 18 . 1 1 43 43 GLU H H 120 7.998 7.998 8.271 -0.273 18323 6746 1 18 . 1 1 44 44 VAL N N 121 121.165 121.165 121.513 -0.348 18323 6747 1 18 . 1 1 44 44 VAL HA H 121 3.439 3.439 3.524 -0.085 18323 6748 1 18 . 1 1 44 44 VAL C C 121 177.489 177.489 177.490 -0.001 18323 6749 1 18 . 1 1 44 44 VAL CA C 121 66.966 66.966 67.431 -0.465 18323 6750 1 18 . 1 1 44 44 VAL CB C 121 31.220 31.220 31.819 -0.599 18323 6751 1 18 . 1 1 44 44 VAL H H 121 8.051 8.051 8.374 -0.323 18323 6752 1 18 . 1 1 45 45 ASP N N 122 119.507 119.507 118.491 1.016 18323 6753 1 18 . 1 1 45 45 ASP HA H 122 4.338 4.338 4.278 0.060 18323 6754 1 18 . 1 1 45 45 ASP C C 122 179.226 179.226 178.804 0.422 18323 6755 1 18 . 1 1 45 45 ASP CA C 122 57.590 57.590 57.486 0.104 18323 6756 1 18 . 1 1 45 45 ASP CB C 122 40.596 40.596 40.704 -0.108 18323 6757 1 18 . 1 1 45 45 ASP H H 122 8.092 8.092 7.968 0.124 18323 6758 1 18 . 1 1 46 46 GLU N N 123 119.871 119.871 119.206 0.665 18323 6759 1 18 . 1 1 46 46 GLU HA H 123 4.033 4.033 4.067 -0.034 18323 6760 1 18 . 1 1 46 46 GLU C C 123 178.612 178.612 178.825 -0.213 18323 6761 1 18 . 1 1 46 46 GLU CA C 123 59.348 59.348 58.536 0.812 18323 6762 1 18 . 1 1 46 46 GLU CB C 123 29.462 29.462 29.701 -0.239 18323 6763 1 18 . 1 1 46 46 GLU H H 123 8.131 8.131 7.637 0.494 18323 6764 1 18 . 1 1 47 47 MET N N 124 119.395 119.395 121.393 -1.998 18323 6765 1 18 . 1 1 47 47 MET CA C 124 60.520 60.520 58.729 1.791 18323 6766 1 18 . 1 1 47 47 MET CB C 124 32.978 32.978 32.241 0.737 18323 6767 1 18 . 1 1 47 47 MET H H 124 7.781 7.781 8.501 -0.720 18323 6768 1 18 . 1 1 48 48 ILE HA H 125 4.234 4.234 3.631 0.603 18323 6769 1 18 . 1 1 48 48 ILE C C 125 177.530 177.530 177.821 -0.291 18323 6770 1 18 . 1 1 48 48 ILE CA C 125 63.450 63.450 65.387 -1.937 18323 6771 1 18 . 1 1 48 48 ILE CB C 125 35.908 35.908 37.511 -1.603 18323 6772 1 18 . 1 1 49 49 ARG N N 126 118.403 118.403 119.267 -0.864 18323 6773 1 18 . 1 1 49 49 ARG HA H 126 4.105 4.105 3.931 0.174 18323 6774 1 18 . 1 1 49 49 ARG C C 126 178.928 178.928 178.156 0.772 18323 6775 1 18 . 1 1 49 49 ARG CA C 126 59.934 59.934 59.122 0.812 18323 6776 1 18 . 1 1 49 49 ARG CB C 126 30.414 30.414 29.664 0.750 18323 6777 1 18 . 1 1 49 49 ARG H H 126 8.555 8.555 7.627 0.928 18323 6778 1 18 . 1 1 50 50 GLU N N 127 116.347 116.347 117.112 -0.765 18323 6779 1 18 . 1 1 50 50 GLU HA H 127 4.039 4.039 4.160 -0.121 18323 6780 1 18 . 1 1 50 50 GLU C C 127 176.941 176.941 177.925 -0.984 18323 6781 1 18 . 1 1 50 50 GLU CA C 127 58.762 58.762 58.497 0.265 18323 6782 1 18 . 1 1 50 50 GLU CB C 127 30.048 30.048 30.076 -0.028 18323 6783 1 18 . 1 1 50 50 GLU H H 127 7.990 7.990 7.888 0.102 18323 6784 1 18 . 1 1 51 51 ALA N N 128 117.251 117.251 121.312 -4.061 18323 6785 1 18 . 1 1 51 51 ALA HA H 128 4.456 4.456 4.142 0.314 18323 6786 1 18 . 1 1 51 51 ALA C C 128 177.757 177.757 178.050 -0.293 18323 6787 1 18 . 1 1 51 51 ALA CA C 128 51.730 51.730 53.714 -1.984 18323 6788 1 18 . 1 1 51 51 ALA CB C 128 21.844 21.844 19.208 2.636 18323 6789 1 18 . 1 1 51 51 ALA H H 128 7.126 7.126 7.696 -0.570 18323 6790 1 18 . 1 1 52 52 ASP N N 129 117.909 117.909 118.077 -0.168 18323 6791 1 18 . 1 1 52 52 ASP HA H 129 4.502 4.502 4.444 0.058 18323 6792 1 18 . 1 1 52 52 ASP C C 129 175.854 175.854 176.068 -0.214 18323 6793 1 18 . 1 1 52 52 ASP CA C 129 54.074 54.074 55.563 -1.489 18323 6794 1 18 . 1 1 52 52 ASP CB C 129 40.596 40.596 41.345 -0.749 18323 6795 1 18 . 1 1 52 52 ASP H H 129 7.962 7.962 8.350 -0.388 18323 6796 1 18 . 1 1 53 53 ILE N N 130 127.900 127.900 123.895 4.005 18323 6797 1 18 . 1 1 53 53 ILE C C 130 177.995 177.995 176.761 1.234 18323 6798 1 18 . 1 1 53 53 ILE CA C 130 63.450 63.450 61.924 1.526 18323 6799 1 18 . 1 1 53 53 ILE CB C 130 38.838 38.838 38.685 0.152 18323 6800 1 18 . 1 1 53 53 ILE H H 130 8.261 8.261 8.212 0.049 18323 6801 1 18 . 1 1 54 54 ASP N N 131 116.678 116.678 118.502 -1.824 18323 6802 1 18 . 1 1 54 54 ASP HA H 131 4.541 4.541 4.756 -0.215 18323 6803 1 18 . 1 1 54 54 ASP C C 131 178.283 178.283 177.088 1.195 18323 6804 1 18 . 1 1 54 54 ASP CA C 131 54.074 54.074 54.115 -0.041 18323 6805 1 18 . 1 1 54 54 ASP CB C 131 40.010 40.010 41.257 -1.247 18323 6806 1 18 . 1 1 54 54 ASP H H 131 8.372 8.372 8.411 -0.039 18323 6807 1 18 . 1 1 55 55 GLY N N 132 108.866 108.866 109.525 -0.659 18323 6808 1 18 . 1 1 55 55 GLY C C 132 175.365 175.365 174.717 0.648 18323 6809 1 18 . 1 1 55 55 GLY CA C 132 47.628 47.628 46.152 1.476 18323 6810 1 18 . 1 1 55 55 GLY H H 132 7.679 7.679 8.799 -1.120 18323 6811 1 18 . 1 1 56 56 ASP N N 133 120.968 120.968 118.786 2.182 18323 6812 1 18 . 1 1 56 56 ASP HA H 133 4.493 4.493 4.662 -0.169 18323 6813 1 18 . 1 1 56 56 ASP C C 133 177.582 177.582 177.404 0.178 18323 6814 1 18 . 1 1 56 56 ASP CA C 133 53.488 53.488 52.659 0.829 18323 6815 1 18 . 1 1 56 56 ASP CB C 133 40.010 40.010 40.392 -0.382 18323 6816 1 18 . 1 1 56 56 ASP H H 133 8.415 8.415 8.281 0.134 18323 6817 1 18 . 1 1 57 57 GLY N N 134 112.821 112.821 108.667 4.154 18323 6818 1 18 . 1 1 57 57 GLY C C 134 172.847 172.847 173.622 -0.775 18323 6819 1 18 . 1 1 57 57 GLY CA C 134 45.870 45.870 45.987 -0.117 18323 6820 1 18 . 1 1 57 57 GLY H H 134 10.300 10.300 8.294 2.006 18323 6821 1 18 . 1 1 58 58 GLN N N 135 115.391 115.391 116.780 -1.389 18323 6822 1 18 . 1 1 58 58 GLN HA H 135 5.003 5.003 5.319 -0.316 18323 6823 1 18 . 1 1 58 58 GLN C C 135 175.019 175.019 173.996 1.023 18323 6824 1 18 . 1 1 58 58 GLN CA C 135 52.902 52.902 54.325 -1.423 18323 6825 1 18 . 1 1 58 58 GLN CB C 135 32.978 32.978 33.978 -1.000 18323 6826 1 18 . 1 1 58 58 GLN H H 135 8.022 8.022 7.445 0.577 18323 6827 1 18 . 1 1 59 59 VAL N N 136 125.596 125.596 117.915 7.681 18323 6828 1 18 . 1 1 59 59 VAL HA H 136 5.134 5.134 4.776 0.358 18323 6829 1 18 . 1 1 59 59 VAL C C 136 175.912 175.912 174.723 1.189 18323 6830 1 18 . 1 1 59 59 VAL CA C 136 61.613 61.613 59.792 1.821 18323 6831 1 18 . 1 1 59 59 VAL CB C 136 33.694 33.694 35.056 -1.362 18323 6832 1 18 . 1 1 59 59 VAL H H 136 9.176 9.176 8.306 0.870 18323 6833 1 18 . 1 1 60 60 ASN N N 137 129.229 129.229 124.356 4.873 18323 6834 1 18 . 1 1 60 60 ASN HA H 137 5.371 5.371 4.345 1.026 18323 6835 1 18 . 1 1 60 60 ASN C C 137 174.805 174.805 176.600 -1.795 18323 6836 1 18 . 1 1 60 60 ASN CA C 137 51.144 51.144 54.022 -2.878 18323 6837 1 18 . 1 1 60 60 ASN CB C 137 38.252 38.252 38.736 -0.484 18323 6838 1 18 . 1 1 60 60 ASN H H 137 9.576 9.576 8.203 1.373 18323 6839 1 18 . 1 1 61 61 TYR N N 138 118.597 118.597 118.822 -0.225 18323 6840 1 18 . 1 1 61 61 TYR C C 138 176.119 176.119 177.800 -1.681 18323 6841 1 18 . 1 1 61 61 TYR CA C 138 62.278 62.278 61.983 0.295 18323 6842 1 18 . 1 1 61 61 TYR CB C 138 37.666 37.666 37.719 -0.053 18323 6843 1 18 . 1 1 61 61 TYR H H 138 8.268 8.268 8.394 -0.126 18323 6844 1 18 . 1 1 62 62 GLU N N 139 118.441 118.441 120.388 -1.947 18323 6845 1 18 . 1 1 62 62 GLU HA H 139 4.123 4.123 4.115 0.008 18323 6846 1 18 . 1 1 62 62 GLU C C 139 179.189 179.189 178.898 0.291 18323 6847 1 18 . 1 1 62 62 GLU CA C 139 59.934 59.934 60.212 -0.278 18323 6848 1 18 . 1 1 62 62 GLU CB C 139 28.876 28.876 28.932 -0.056 18323 6849 1 18 . 1 1 62 62 GLU H H 139 8.087 8.087 8.946 -0.859 18323 6850 1 18 . 1 1 63 63 GLU N N 140 120.992 120.992 117.721 3.271 18323 6851 1 18 . 1 1 63 63 GLU HA H 140 3.914 3.914 4.085 -0.171 18323 6852 1 18 . 1 1 63 63 GLU C C 140 179.328 179.328 178.742 0.586 18323 6853 1 18 . 1 1 63 63 GLU CA C 140 58.762 58.762 59.268 -0.506 18323 6854 1 18 . 1 1 63 63 GLU CB C 140 29.462 29.462 29.301 0.161 18323 6855 1 18 . 1 1 63 63 GLU H H 140 7.761 7.761 8.828 -1.067 18323 6856 1 18 . 1 1 64 64 PHE N N 141 123.798 123.798 119.465 4.333 18323 6857 1 18 . 1 1 64 64 PHE C C 141 176.843 176.843 177.005 -0.162 18323 6858 1 18 . 1 1 64 64 PHE CA C 141 61.692 61.692 60.240 1.452 18323 6859 1 18 . 1 1 64 64 PHE CB C 141 39.917 39.917 40.047 -0.130 18323 6860 1 18 . 1 1 64 64 PHE H H 141 8.529 8.529 7.428 1.101 18323 6861 1 18 . 1 1 65 65 VAL N N 142 119.218 119.218 119.904 -0.686 18323 6862 1 18 . 1 1 65 65 VAL C C 142 179.497 179.497 177.395 2.102 18323 6863 1 18 . 1 1 65 65 VAL CA C 142 66.966 66.966 65.801 1.165 18323 6864 1 18 . 1 1 65 65 VAL CB C 142 31.220 31.220 31.854 -0.634 18323 6865 1 18 . 1 1 65 65 VAL H H 142 8.672 8.672 9.048 -0.376 18323 6866 1 18 . 1 1 66 66 GLN N N 143 118.362 118.362 119.104 -0.742 18323 6867 1 18 . 1 1 66 66 GLN HA H 143 3.845 3.845 3.950 -0.105 18323 6868 1 18 . 1 1 66 66 GLN C C 143 177.881 177.881 178.243 -0.362 18323 6869 1 18 . 1 1 66 66 GLN CA C 143 58.762 58.762 58.992 -0.230 18323 6870 1 18 . 1 1 66 66 GLN CB C 143 27.704 27.704 28.813 -1.109 18323 6871 1 18 . 1 1 66 66 GLN H H 143 7.550 7.550 7.995 -0.445 18323 6872 1 18 . 1 1 67 67 MET N N 144 116.720 116.720 116.361 0.359 18323 6873 1 18 . 1 1 67 67 MET C C 144 177.803 177.803 178.338 -0.535 18323 6874 1 18 . 1 1 67 67 MET CA C 144 56.418 56.418 57.144 -0.726 18323 6875 1 18 . 1 1 67 67 MET CB C 144 31.806 31.806 31.599 0.207 18323 6876 1 18 . 1 1 67 67 MET H H 144 7.300 7.300 7.729 -0.429 18323 6877 1 18 . 1 1 68 68 MET N N 145 116.116 116.116 117.911 -1.795 18323 6878 1 18 . 1 1 68 68 MET HA H 145 4.115 4.115 3.896 0.219 18323 6879 1 18 . 1 1 68 68 MET C C 145 177.203 177.203 177.664 -0.461 18323 6880 1 18 . 1 1 68 68 MET CA C 145 56.418 56.418 58.291 -1.873 18323 6881 1 18 . 1 1 68 68 MET CB C 145 31.806 31.806 32.583 -0.777 18323 6882 1 18 . 1 1 68 68 MET H H 145 7.732 7.732 7.491 0.241 18323 6883 1 18 . 1 1 69 69 THR N N 146 108.868 108.868 109.627 -0.759 18323 6884 1 18 . 1 1 69 69 THR HA H 146 4.288 4.288 4.253 0.035 18323 6885 1 18 . 1 1 69 69 THR C C 146 174.154 174.154 175.645 -1.491 18323 6886 1 18 . 1 1 69 69 THR CA C 146 61.692 61.692 63.225 -1.533 18323 6887 1 18 . 1 1 69 69 THR CB C 146 69.896 69.896 69.290 0.606 18323 6888 1 18 . 1 1 69 69 THR H H 146 7.649 7.649 7.765 -0.116 18323 6889 1 18 . 1 1 70 70 ALA N N 147 126.934 126.934 124.793 2.141 18323 6890 1 18 . 1 1 70 70 ALA HA H 147 4.287 4.287 4.220 0.067 18323 6891 1 18 . 1 1 70 70 ALA C C 147 176.686 176.686 176.576 0.110 18323 6892 1 18 . 1 1 70 70 ALA CA C 147 52.902 52.902 51.979 0.923 18323 6893 1 18 . 1 1 70 70 ALA CB C 147 18.914 18.914 18.110 0.804 18323 6894 1 18 . 1 1 70 70 ALA H H 147 7.546 7.546 7.533 0.013 18323 6895 1 19 . 1 1 2 2 THR N N 79 114.287 114.287 116.664 -2.377 18323 6896 1 19 . 1 1 2 2 THR HA H 79 4.281 4.281 4.540 -0.259 18323 6897 1 19 . 1 1 2 2 THR C C 79 174.598 174.598 173.608 0.990 18323 6898 1 19 . 1 1 2 2 THR CA C 79 62.278 62.278 61.704 0.574 18323 6899 1 19 . 1 1 2 2 THR CB C 79 69.310 69.310 70.263 -0.952 18323 6900 1 19 . 1 1 2 2 THR H H 79 8.299 8.299 7.919 0.380 18323 6901 1 19 . 1 1 3 3 ASP N N 80 122.311 122.311 123.725 -1.414 18323 6902 1 19 . 1 1 3 3 ASP C C 80 176.788 176.788 176.481 0.307 18323 6903 1 19 . 1 1 3 3 ASP CA C 80 54.660 54.660 53.846 0.814 18323 6904 1 19 . 1 1 3 3 ASP CB C 80 41.182 41.182 41.073 0.109 18323 6905 1 19 . 1 1 3 3 ASP H H 80 8.447 8.447 8.539 -0.092 18323 6906 1 19 . 1 1 4 4 SER N N 81 116.934 116.934 117.257 -0.323 18323 6907 1 19 . 1 1 4 4 SER HA H 81 4.022 4.022 4.620 -0.598 18323 6908 1 19 . 1 1 4 4 SER C C 81 175.337 175.337 174.642 0.695 18323 6909 1 19 . 1 1 4 4 SER CA C 81 58.762 58.762 57.141 1.621 18323 6910 1 19 . 1 1 4 4 SER CB C 81 64.036 64.036 62.886 1.151 18323 6911 1 19 . 1 1 4 4 SER H H 81 8.351 8.351 7.821 0.530 18323 6912 1 19 . 1 1 5 5 GLU N N 82 123.423 123.423 123.141 0.282 18323 6913 1 19 . 1 1 5 5 GLU HA H 82 4.112 4.112 3.868 0.244 18323 6914 1 19 . 1 1 5 5 GLU C C 82 178.067 178.067 177.690 0.377 18323 6915 1 19 . 1 1 5 5 GLU CA C 82 59.348 59.348 60.148 -0.800 18323 6916 1 19 . 1 1 5 5 GLU CB C 82 46.749 46.749 29.418 17.331 18323 6917 1 19 . 1 1 5 5 GLU H H 82 8.588 8.588 8.656 -0.068 18323 6918 1 19 . 1 1 6 6 GLU N N 83 118.987 118.987 117.225 1.762 18323 6919 1 19 . 1 1 6 6 GLU CA C 83 59.348 59.348 58.821 0.527 18323 6920 1 19 . 1 1 6 6 GLU CB C 83 29.462 29.462 28.725 0.737 18323 6921 1 19 . 1 1 6 6 GLU H H 83 8.412 8.412 8.621 -0.209 18323 6922 1 19 . 1 1 7 7 GLU HA H 84 4.116 4.116 4.024 0.092 18323 6923 1 19 . 1 1 7 7 GLU C C 84 178.969 178.969 179.330 -0.361 18323 6924 1 19 . 1 1 7 7 GLU CA C 84 59.348 59.348 58.957 0.391 18323 6925 1 19 . 1 1 7 7 GLU CB C 84 29.462 29.462 29.369 0.093 18323 6926 1 19 . 1 1 8 8 ILE N N 85 121.839 121.839 119.152 2.687 18323 6927 1 19 . 1 1 8 8 ILE HA H 85 3.917 3.917 3.491 0.426 18323 6928 1 19 . 1 1 8 8 ILE C C 85 178.283 178.283 178.107 0.176 18323 6929 1 19 . 1 1 8 8 ILE CA C 85 65.208 65.208 65.053 0.155 18323 6930 1 19 . 1 1 8 8 ILE CB C 85 37.080 37.080 37.574 -0.494 18323 6931 1 19 . 1 1 8 8 ILE H H 85 8.001 8.001 7.564 0.437 18323 6932 1 19 . 1 1 9 9 ARG N N 86 121.328 121.328 119.091 2.237 18323 6933 1 19 . 1 1 9 9 ARG HA H 86 4.260 4.260 4.005 0.255 18323 6934 1 19 . 1 1 9 9 ARG C C 86 179.291 179.291 178.340 0.951 18323 6935 1 19 . 1 1 9 9 ARG CA C 86 59.934 59.934 59.621 0.313 18323 6936 1 19 . 1 1 9 9 ARG CB C 86 29.462 29.462 29.734 -0.272 18323 6937 1 19 . 1 1 9 9 ARG H H 86 8.544 8.544 7.613 0.931 18323 6938 1 19 . 1 1 10 10 GLU N N 87 118.332 118.332 117.794 0.538 18323 6939 1 19 . 1 1 10 10 GLU HA H 87 4.116 4.116 4.172 -0.056 18323 6940 1 19 . 1 1 10 10 GLU C C 87 179.498 179.498 177.958 1.540 18323 6941 1 19 . 1 1 10 10 GLU CA C 87 59.348 59.348 57.995 1.353 18323 6942 1 19 . 1 1 10 10 GLU CB C 87 29.462 29.462 29.181 0.281 18323 6943 1 19 . 1 1 10 10 GLU H H 87 8.225 8.225 7.672 0.553 18323 6944 1 19 . 1 1 11 11 ALA N N 88 121.839 121.839 122.998 -1.159 18323 6945 1 19 . 1 1 11 11 ALA HA H 88 4.243 4.243 4.197 0.046 18323 6946 1 19 . 1 1 11 11 ALA C C 88 176.715 176.715 179.589 -2.874 18323 6947 1 19 . 1 1 11 11 ALA CA C 88 55.246 55.246 54.950 0.296 18323 6948 1 19 . 1 1 11 11 ALA CB C 88 18.136 18.136 18.281 -0.145 18323 6949 1 19 . 1 1 11 11 ALA H H 88 8.001 8.001 7.989 0.012 18323 6950 1 19 . 1 1 12 12 PHE N N 89 118.794 118.794 117.251 1.543 18323 6951 1 19 . 1 1 12 12 PHE HA H 89 4.934 4.934 4.231 0.703 18323 6952 1 19 . 1 1 12 12 PHE C C 89 177.370 177.370 178.389 -1.019 18323 6953 1 19 . 1 1 12 12 PHE CA C 89 62.278 62.278 61.336 0.942 18323 6954 1 19 . 1 1 12 12 PHE CB C 89 39.424 39.424 37.947 1.477 18323 6955 1 19 . 1 1 12 12 PHE H H 89 8.630 8.630 7.052 1.578 18323 6956 1 19 . 1 1 13 13 ARG N N 90 115.837 115.837 117.217 -1.380 18323 6957 1 19 . 1 1 13 13 ARG HA H 90 3.862 3.862 4.139 -0.277 18323 6958 1 19 . 1 1 13 13 ARG C C 90 177.590 177.590 178.127 -0.537 18323 6959 1 19 . 1 1 13 13 ARG CA C 90 58.762 58.762 57.720 1.042 18323 6960 1 19 . 1 1 13 13 ARG CB C 90 30.048 30.048 29.336 0.712 18323 6961 1 19 . 1 1 13 13 ARG H H 90 7.891 7.891 7.614 0.277 18323 6962 1 19 . 1 1 14 14 VAL N N 91 118.382 118.382 118.752 -0.370 18323 6963 1 19 . 1 1 14 14 VAL C C 91 176.343 176.343 177.636 -1.293 18323 6964 1 19 . 1 1 14 14 VAL CA C 91 65.794 65.794 65.729 0.065 18323 6965 1 19 . 1 1 14 14 VAL CB C 91 31.220 31.220 31.636 -0.416 18323 6966 1 19 . 1 1 14 14 VAL H H 91 7.407 7.407 7.695 -0.288 18323 6967 1 19 . 1 1 15 15 PHE N N 92 114.257 114.257 116.310 -2.053 18323 6968 1 19 . 1 1 15 15 PHE HA H 92 4.661 4.661 4.272 0.389 18323 6969 1 19 . 1 1 15 15 PHE C C 92 176.378 176.378 177.473 -1.095 18323 6970 1 19 . 1 1 15 15 PHE CA C 92 59.934 59.934 60.474 -0.540 18323 6971 1 19 . 1 1 15 15 PHE CB C 92 41.182 41.182 38.958 2.224 18323 6972 1 19 . 1 1 15 15 PHE H H 92 6.892 6.892 7.801 -0.909 18323 6973 1 19 . 1 1 16 16 ASP N N 93 116.288 116.288 119.301 -3.013 18323 6974 1 19 . 1 1 16 16 ASP HA H 93 4.617 4.617 4.713 -0.096 18323 6975 1 19 . 1 1 16 16 ASP C C 93 177.695 177.695 177.144 0.551 18323 6976 1 19 . 1 1 16 16 ASP CA C 93 51.730 51.730 53.471 -1.741 18323 6977 1 19 . 1 1 16 16 ASP CB C 93 38.838 38.838 38.852 -0.014 18323 6978 1 19 . 1 1 16 16 ASP H H 93 7.847 7.847 8.473 -0.626 18323 6979 1 19 . 1 1 17 17 LYS N N 94 125.440 125.440 120.746 4.694 18323 6980 1 19 . 1 1 17 17 LYS HA H 94 3.889 3.889 3.995 -0.106 18323 6981 1 19 . 1 1 17 17 LYS C C 94 178.290 178.290 177.010 1.280 18323 6982 1 19 . 1 1 17 17 LYS CA C 94 58.762 58.762 59.059 -0.298 18323 6983 1 19 . 1 1 17 17 LYS CB C 94 32.392 32.392 32.577 -0.185 18323 6984 1 19 . 1 1 17 17 LYS H H 94 7.662 7.662 8.397 -0.735 18323 6985 1 19 . 1 1 18 18 ASP N N 95 114.292 114.292 116.797 -2.505 18323 6986 1 19 . 1 1 18 18 ASP HA H 95 4.567 4.567 4.635 -0.068 18323 6987 1 19 . 1 1 18 18 ASP C C 95 177.826 177.826 175.968 1.858 18323 6988 1 19 . 1 1 18 18 ASP CA C 95 52.902 52.902 54.218 -1.316 18323 6989 1 19 . 1 1 18 18 ASP CB C 95 39.424 39.424 39.565 -0.141 18323 6990 1 19 . 1 1 18 18 ASP H H 95 8.336 8.336 8.181 0.155 18323 6991 1 19 . 1 1 19 19 GLY N N 96 109.374 109.374 106.888 2.486 18323 6992 1 19 . 1 1 19 19 GLY C C 96 175.145 175.145 174.910 0.235 18323 6993 1 19 . 1 1 19 19 GLY CA C 96 47.042 47.042 46.230 0.812 18323 6994 1 19 . 1 1 19 19 GLY H H 96 7.797 7.797 7.293 0.504 18323 6995 1 19 . 1 1 20 20 ASN N N 97 119.964 119.964 118.885 1.079 18323 6996 1 19 . 1 1 20 20 ASN HA H 97 4.670 4.670 4.590 0.080 18323 6997 1 19 . 1 1 20 20 ASN C C 97 176.120 176.120 176.625 -0.505 18323 6998 1 19 . 1 1 20 20 ASN CA C 97 52.316 52.316 53.231 -0.915 18323 6999 1 19 . 1 1 20 20 ASN CB C 97 38.252 38.252 39.482 -1.230 18323 7000 1 19 . 1 1 20 20 ASN H H 97 8.430 8.430 8.470 -0.040 18323 7001 1 19 . 1 1 21 21 GLY N N 98 112.726 112.726 107.433 5.293 18323 7002 1 19 . 1 1 21 21 GLY C C 98 172.751 172.751 172.816 -0.065 18323 7003 1 19 . 1 1 21 21 GLY CA C 98 44.698 44.698 45.566 -0.868 18323 7004 1 19 . 1 1 21 21 GLY H H 98 10.638 10.638 8.984 1.654 18323 7005 1 19 . 1 1 22 22 TYR N N 99 116.415 116.415 116.298 0.117 18323 7006 1 19 . 1 1 22 22 TYR C C 99 174.795 174.795 174.279 0.516 18323 7007 1 19 . 1 1 22 22 TYR CA C 99 56.418 56.418 56.946 -0.528 18323 7008 1 19 . 1 1 22 22 TYR CB C 99 42.940 42.940 41.654 1.286 18323 7009 1 19 . 1 1 22 22 TYR H H 99 7.708 7.708 7.346 0.362 18323 7010 1 19 . 1 1 23 23 ILE N N 100 127.488 127.488 123.547 3.941 18323 7011 1 19 . 1 1 23 23 ILE C C 100 175.543 175.543 175.551 -0.008 18323 7012 1 19 . 1 1 23 23 ILE CA C 100 61.106 61.106 60.009 1.097 18323 7013 1 19 . 1 1 23 23 ILE CB C 100 39.424 39.424 37.719 1.705 18323 7014 1 19 . 1 1 23 23 ILE H H 100 10.197 10.197 8.818 1.379 18323 7015 1 19 . 1 1 24 24 SER N N 101 123.860 123.860 122.357 1.503 18323 7016 1 19 . 1 1 24 24 SER HA H 101 4.973 4.973 5.062 -0.089 18323 7017 1 19 . 1 1 24 24 SER C C 101 175.300 175.300 175.470 -0.170 18323 7018 1 19 . 1 1 24 24 SER CA C 101 55.832 55.832 56.892 -1.060 18323 7019 1 19 . 1 1 24 24 SER CB C 101 66.966 66.966 65.451 1.515 18323 7020 1 19 . 1 1 24 24 SER H H 101 8.998 8.998 8.724 0.274 18323 7021 1 19 . 1 1 25 25 ALA N N 102 123.328 123.328 125.980 -2.652 18323 7022 1 19 . 1 1 25 25 ALA HA H 102 3.938 3.938 4.111 -0.173 18323 7023 1 19 . 1 1 25 25 ALA C C 102 179.324 179.324 179.278 0.046 18323 7024 1 19 . 1 1 25 25 ALA CA C 102 55.832 55.832 55.322 0.510 18323 7025 1 19 . 1 1 25 25 ALA CB C 102 17.742 17.742 18.597 -0.855 18323 7026 1 19 . 1 1 25 25 ALA H H 102 9.377 9.377 8.986 0.391 18323 7027 1 19 . 1 1 26 26 ALA N N 103 118.536 118.536 120.439 -1.903 18323 7028 1 19 . 1 1 26 26 ALA HA H 103 4.054 4.054 4.162 -0.108 18323 7029 1 19 . 1 1 26 26 ALA C C 103 181.535 181.535 179.913 1.622 18323 7030 1 19 . 1 1 26 26 ALA CA C 103 55.246 55.246 54.967 0.279 18323 7031 1 19 . 1 1 26 26 ALA CB C 103 18.328 18.328 18.144 0.184 18323 7032 1 19 . 1 1 26 26 ALA H H 103 8.317 8.317 8.500 -0.183 18323 7033 1 19 . 1 1 27 27 GLU N N 104 120.419 120.419 118.486 1.933 18323 7034 1 19 . 1 1 27 27 GLU HA H 104 4.033 4.033 4.065 -0.032 18323 7035 1 19 . 1 1 27 27 GLU C C 104 178.950 178.950 179.131 -0.181 18323 7036 1 19 . 1 1 27 27 GLU CA C 104 59.348 59.348 59.329 0.019 18323 7037 1 19 . 1 1 27 27 GLU CB C 104 28.876 28.876 29.351 -0.475 18323 7038 1 19 . 1 1 27 27 GLU H H 104 7.977 7.977 7.936 0.041 18323 7039 1 19 . 1 1 28 28 LEU N N 105 120.658 120.658 119.217 1.441 18323 7040 1 19 . 1 1 28 28 LEU HA H 105 4.178 4.178 4.343 -0.165 18323 7041 1 19 . 1 1 28 28 LEU C C 105 178.402 178.402 179.148 -0.746 18323 7042 1 19 . 1 1 28 28 LEU CA C 105 58.176 58.176 57.999 0.177 18323 7043 1 19 . 1 1 28 28 LEU CB C 105 41.768 41.768 41.455 0.313 18323 7044 1 19 . 1 1 28 28 LEU H H 105 8.500 8.500 7.385 1.115 18323 7045 1 19 . 1 1 29 29 ARG N N 106 117.807 117.807 117.458 0.349 18323 7046 1 19 . 1 1 29 29 ARG HA H 106 4.042 4.042 4.016 0.026 18323 7047 1 19 . 1 1 29 29 ARG C C 106 177.506 177.506 178.755 -1.249 18323 7048 1 19 . 1 1 29 29 ARG CA C 106 59.934 59.934 59.285 0.649 18323 7049 1 19 . 1 1 29 29 ARG CB C 106 30.634 30.634 29.413 1.220 18323 7050 1 19 . 1 1 29 29 ARG H H 106 8.727 8.727 7.674 1.053 18323 7051 1 19 . 1 1 30 30 HIS N N 107 119.849 119.849 120.347 -0.498 18323 7052 1 19 . 1 1 30 30 HIS C C 107 177.862 177.862 177.577 0.285 18323 7053 1 19 . 1 1 30 30 HIS CA C 107 59.934 59.934 59.775 0.159 18323 7054 1 19 . 1 1 30 30 HIS CB C 107 30.634 30.634 30.565 0.069 18323 7055 1 19 . 1 1 30 30 HIS H H 107 8.030 8.030 7.918 0.112 18323 7056 1 19 . 1 1 31 31 VAL N N 108 119.784 119.784 120.914 -1.130 18323 7057 1 19 . 1 1 31 31 VAL C C 108 178.437 178.437 178.379 0.058 18323 7058 1 19 . 1 1 31 31 VAL CA C 108 66.966 66.966 66.036 0.930 18323 7059 1 19 . 1 1 31 31 VAL CB C 108 31.806 31.806 31.485 0.321 18323 7060 1 19 . 1 1 31 31 VAL H H 108 8.322 8.322 8.398 -0.076 18323 7061 1 19 . 1 1 32 32 MET N N 109 115.699 115.699 117.924 -2.225 18323 7062 1 19 . 1 1 32 32 MET HA H 109 4.343 4.343 4.171 0.172 18323 7063 1 19 . 1 1 32 32 MET C C 109 179.296 179.296 178.903 0.393 18323 7064 1 19 . 1 1 32 32 MET CA C 109 57.004 57.004 59.124 -2.120 18323 7065 1 19 . 1 1 32 32 MET CB C 109 29.462 29.462 31.608 -2.147 18323 7066 1 19 . 1 1 32 32 MET H H 109 8.397 8.397 8.703 -0.306 18323 7067 1 19 . 1 1 33 33 THR N N 110 116.362 116.362 116.282 0.080 18323 7068 1 19 . 1 1 33 33 THR C C 110 178.290 178.290 176.496 1.794 18323 7069 1 19 . 1 1 33 33 THR CA C 110 66.380 66.380 66.213 0.167 18323 7070 1 19 . 1 1 33 33 THR CB C 110 68.724 68.724 68.665 0.059 18323 7071 1 19 . 1 1 33 33 THR H H 110 8.296 8.296 8.203 0.093 18323 7072 1 19 . 1 1 34 34 ASN N N 111 122.809 122.809 119.283 3.526 18323 7073 1 19 . 1 1 34 34 ASN HA H 111 4.619 4.619 4.455 0.164 18323 7074 1 19 . 1 1 34 34 ASN C C 111 176.698 176.698 177.254 -0.556 18323 7075 1 19 . 1 1 34 34 ASN CA C 111 55.832 55.832 55.405 0.427 18323 7076 1 19 . 1 1 34 34 ASN CB C 111 38.252 38.252 38.351 -0.099 18323 7077 1 19 . 1 1 34 34 ASN H H 111 7.936 7.936 8.191 -0.255 18323 7078 1 19 . 1 1 35 35 LEU N N 112 118.523 118.523 118.071 0.452 18323 7079 1 19 . 1 1 35 35 LEU HA H 112 4.322 4.322 4.098 0.224 18323 7080 1 19 . 1 1 35 35 LEU C C 112 177.205 177.205 178.030 -0.825 18323 7081 1 19 . 1 1 35 35 LEU CA C 112 55.246 55.246 56.433 -1.187 18323 7082 1 19 . 1 1 35 35 LEU CB C 112 42.354 42.354 42.509 -0.155 18323 7083 1 19 . 1 1 35 35 LEU H H 112 7.815 7.815 8.165 -0.350 18323 7084 1 19 . 1 1 36 36 GLY N N 113 107.203 107.203 103.325 3.878 18323 7085 1 19 . 1 1 36 36 GLY C C 113 174.354 174.354 174.220 0.134 18323 7086 1 19 . 1 1 36 36 GLY CA C 113 45.284 45.284 44.639 0.645 18323 7087 1 19 . 1 1 36 36 GLY H H 113 7.853 7.853 7.836 0.017 18323 7088 1 19 . 1 1 37 37 GLU N N 114 120.199 120.199 122.102 -1.903 18323 7089 1 19 . 1 1 37 37 GLU HA H 114 4.435 4.435 4.304 0.131 18323 7090 1 19 . 1 1 37 37 GLU C C 114 175.359 175.359 177.337 -1.978 18323 7091 1 19 . 1 1 37 37 GLU CA C 114 54.660 54.660 56.309 -1.649 18323 7092 1 19 . 1 1 37 37 GLU CB C 114 30.634 30.634 30.205 0.429 18323 7093 1 19 . 1 1 37 37 GLU H H 114 7.909 7.909 7.824 0.085 18323 7094 1 19 . 1 1 38 38 LYS N N 115 124.425 124.425 124.211 0.214 18323 7095 1 19 . 1 1 38 38 LYS HA H 115 4.372 4.372 4.341 0.031 18323 7096 1 19 . 1 1 38 38 LYS C C 115 175.464 175.464 175.950 -0.486 18323 7097 1 19 . 1 1 38 38 LYS CA C 115 55.246 55.246 55.483 -0.237 18323 7098 1 19 . 1 1 38 38 LYS CB C 115 31.806 31.806 31.337 0.469 18323 7099 1 19 . 1 1 38 38 LYS H H 115 8.642 8.642 8.446 0.196 18323 7100 1 19 . 1 1 39 39 LEU N N 116 125.258 125.258 120.983 4.275 18323 7101 1 19 . 1 1 39 39 LEU HA H 116 4.742 4.742 4.318 0.424 18323 7102 1 19 . 1 1 39 39 LEU C C 116 178.351 178.351 177.017 1.334 18323 7103 1 19 . 1 1 39 39 LEU CA C 116 54.074 54.074 55.062 -0.988 18323 7104 1 19 . 1 1 39 39 LEU CB C 116 44.112 44.112 42.732 1.380 18323 7105 1 19 . 1 1 39 39 LEU H H 116 8.102 8.102 7.542 0.560 18323 7106 1 19 . 1 1 40 40 THR N N 117 114.811 114.811 110.494 4.317 18323 7107 1 19 . 1 1 40 40 THR HA H 117 4.744 4.744 4.583 0.161 18323 7108 1 19 . 1 1 40 40 THR C C 117 175.522 175.522 174.524 0.998 18323 7109 1 19 . 1 1 40 40 THR CA C 117 60.520 60.520 60.917 -0.397 18323 7110 1 19 . 1 1 40 40 THR CB C 117 71.068 71.068 71.454 -0.385 18323 7111 1 19 . 1 1 40 40 THR H H 117 9.297 9.297 8.249 1.048 18323 7112 1 19 . 1 1 41 41 ASP N N 118 121.232 121.232 124.925 -3.693 18323 7113 1 19 . 1 1 41 41 ASP C C 118 178.644 178.644 178.220 0.424 18323 7114 1 19 . 1 1 41 41 ASP CA C 118 57.590 57.590 57.871 -0.281 18323 7115 1 19 . 1 1 41 41 ASP CB C 118 39.424 39.424 40.494 -1.070 18323 7116 1 19 . 1 1 41 41 ASP H H 118 8.967 8.967 8.988 -0.021 18323 7117 1 19 . 1 1 42 42 GLU N N 119 119.357 119.357 118.647 0.710 18323 7118 1 19 . 1 1 42 42 GLU HA H 119 4.051 4.051 4.102 -0.051 18323 7119 1 19 . 1 1 42 42 GLU C C 119 178.847 178.847 179.079 -0.232 18323 7120 1 19 . 1 1 42 42 GLU CA C 119 59.934 59.934 59.261 0.673 18323 7121 1 19 . 1 1 42 42 GLU CB C 119 28.876 28.876 29.439 -0.563 18323 7122 1 19 . 1 1 42 42 GLU H H 119 8.679 8.679 8.581 0.098 18323 7123 1 19 . 1 1 43 43 GLU N N 120 118.761 118.761 119.716 -0.955 18323 7124 1 19 . 1 1 43 43 GLU HA H 120 4.003 4.003 4.207 -0.204 18323 7125 1 19 . 1 1 43 43 GLU C C 120 179.996 179.996 178.381 1.615 18323 7126 1 19 . 1 1 43 43 GLU CA C 120 59.348 59.348 58.581 0.766 18323 7127 1 19 . 1 1 43 43 GLU CB C 120 30.048 30.048 29.016 1.032 18323 7128 1 19 . 1 1 43 43 GLU H H 120 7.998 7.998 8.211 -0.213 18323 7129 1 19 . 1 1 44 44 VAL N N 121 121.165 121.165 121.491 -0.326 18323 7130 1 19 . 1 1 44 44 VAL HA H 121 3.439 3.439 3.542 -0.103 18323 7131 1 19 . 1 1 44 44 VAL C C 121 177.489 177.489 177.444 0.045 18323 7132 1 19 . 1 1 44 44 VAL CA C 121 66.966 66.966 67.688 -0.721 18323 7133 1 19 . 1 1 44 44 VAL CB C 121 31.220 31.220 31.770 -0.550 18323 7134 1 19 . 1 1 44 44 VAL H H 121 8.051 8.051 8.265 -0.214 18323 7135 1 19 . 1 1 45 45 ASP N N 122 119.507 119.507 118.371 1.136 18323 7136 1 19 . 1 1 45 45 ASP HA H 122 4.338 4.338 4.280 0.058 18323 7137 1 19 . 1 1 45 45 ASP C C 122 179.226 179.226 178.801 0.425 18323 7138 1 19 . 1 1 45 45 ASP CA C 122 57.590 57.590 57.567 0.023 18323 7139 1 19 . 1 1 45 45 ASP CB C 122 40.596 40.596 40.688 -0.092 18323 7140 1 19 . 1 1 45 45 ASP H H 122 8.092 8.092 7.954 0.138 18323 7141 1 19 . 1 1 46 46 GLU N N 123 119.871 119.871 119.371 0.500 18323 7142 1 19 . 1 1 46 46 GLU HA H 123 4.033 4.033 4.141 -0.108 18323 7143 1 19 . 1 1 46 46 GLU C C 123 178.612 178.612 178.515 0.097 18323 7144 1 19 . 1 1 46 46 GLU CA C 123 59.348 59.348 58.369 0.979 18323 7145 1 19 . 1 1 46 46 GLU CB C 123 29.462 29.462 29.436 0.026 18323 7146 1 19 . 1 1 46 46 GLU H H 123 8.131 8.131 7.468 0.663 18323 7147 1 19 . 1 1 47 47 MET N N 124 119.395 119.395 120.864 -1.469 18323 7148 1 19 . 1 1 47 47 MET CA C 124 60.520 60.520 60.005 0.515 18323 7149 1 19 . 1 1 47 47 MET CB C 124 32.978 32.978 32.584 0.394 18323 7150 1 19 . 1 1 47 47 MET H H 124 7.781 7.781 8.410 -0.629 18323 7151 1 19 . 1 1 48 48 ILE HA H 125 4.234 4.234 3.642 0.592 18323 7152 1 19 . 1 1 48 48 ILE C C 125 177.530 177.530 177.845 -0.315 18323 7153 1 19 . 1 1 48 48 ILE CA C 125 63.450 63.450 65.232 -1.782 18323 7154 1 19 . 1 1 48 48 ILE CB C 125 35.908 35.908 37.599 -1.692 18323 7155 1 19 . 1 1 49 49 ARG N N 126 118.403 118.403 119.244 -0.841 18323 7156 1 19 . 1 1 49 49 ARG HA H 126 4.105 4.105 3.969 0.136 18323 7157 1 19 . 1 1 49 49 ARG C C 126 178.928 178.928 178.368 0.560 18323 7158 1 19 . 1 1 49 49 ARG CA C 126 59.934 59.934 59.068 0.866 18323 7159 1 19 . 1 1 49 49 ARG CB C 126 30.414 30.414 29.458 0.956 18323 7160 1 19 . 1 1 49 49 ARG H H 126 8.555 8.555 7.568 0.987 18323 7161 1 19 . 1 1 50 50 GLU N N 127 116.347 116.347 117.455 -1.108 18323 7162 1 19 . 1 1 50 50 GLU HA H 127 4.039 4.039 4.224 -0.185 18323 7163 1 19 . 1 1 50 50 GLU C C 127 176.941 176.941 177.877 -0.936 18323 7164 1 19 . 1 1 50 50 GLU CA C 127 58.762 58.762 58.084 0.678 18323 7165 1 19 . 1 1 50 50 GLU CB C 127 30.048 30.048 29.890 0.158 18323 7166 1 19 . 1 1 50 50 GLU H H 127 7.990 7.990 7.813 0.177 18323 7167 1 19 . 1 1 51 51 ALA N N 128 117.251 117.251 120.893 -3.642 18323 7168 1 19 . 1 1 51 51 ALA HA H 128 4.456 4.456 4.129 0.327 18323 7169 1 19 . 1 1 51 51 ALA C C 128 177.757 177.757 177.874 -0.117 18323 7170 1 19 . 1 1 51 51 ALA CA C 128 51.730 51.730 53.678 -1.948 18323 7171 1 19 . 1 1 51 51 ALA CB C 128 21.844 21.844 19.290 2.554 18323 7172 1 19 . 1 1 51 51 ALA H H 128 7.126 7.126 7.668 -0.542 18323 7173 1 19 . 1 1 52 52 ASP N N 129 117.909 117.909 118.476 -0.567 18323 7174 1 19 . 1 1 52 52 ASP HA H 129 4.502 4.502 4.408 0.094 18323 7175 1 19 . 1 1 52 52 ASP C C 129 175.854 175.854 176.552 -0.698 18323 7176 1 19 . 1 1 52 52 ASP CA C 129 54.074 54.074 55.684 -1.610 18323 7177 1 19 . 1 1 52 52 ASP CB C 129 40.596 40.596 41.011 -0.416 18323 7178 1 19 . 1 1 52 52 ASP H H 129 7.962 7.962 8.285 -0.323 18323 7179 1 19 . 1 1 53 53 ILE N N 130 127.900 127.900 125.284 2.616 18323 7180 1 19 . 1 1 53 53 ILE C C 130 177.995 177.995 177.202 0.793 18323 7181 1 19 . 1 1 53 53 ILE CA C 130 63.450 63.450 62.321 1.129 18323 7182 1 19 . 1 1 53 53 ILE CB C 130 38.838 38.838 38.660 0.178 18323 7183 1 19 . 1 1 53 53 ILE H H 130 8.261 8.261 8.215 0.046 18323 7184 1 19 . 1 1 54 54 ASP N N 131 116.678 116.678 119.876 -3.198 18323 7185 1 19 . 1 1 54 54 ASP HA H 131 4.541 4.541 4.632 -0.091 18323 7186 1 19 . 1 1 54 54 ASP C C 131 178.283 178.283 177.490 0.793 18323 7187 1 19 . 1 1 54 54 ASP CA C 131 54.074 54.074 53.707 0.367 18323 7188 1 19 . 1 1 54 54 ASP CB C 131 40.010 40.010 41.413 -1.403 18323 7189 1 19 . 1 1 54 54 ASP H H 131 8.372 8.372 7.982 0.390 18323 7190 1 19 . 1 1 55 55 GLY N N 132 108.866 108.866 108.862 0.004 18323 7191 1 19 . 1 1 55 55 GLY C C 132 175.365 175.365 174.577 0.788 18323 7192 1 19 . 1 1 55 55 GLY CA C 132 47.628 47.628 46.275 1.353 18323 7193 1 19 . 1 1 55 55 GLY H H 132 7.679 7.679 8.733 -1.054 18323 7194 1 19 . 1 1 56 56 ASP N N 133 120.968 120.968 118.172 2.796 18323 7195 1 19 . 1 1 56 56 ASP HA H 133 4.493 4.493 4.585 -0.092 18323 7196 1 19 . 1 1 56 56 ASP C C 133 177.582 177.582 177.054 0.528 18323 7197 1 19 . 1 1 56 56 ASP CA C 133 53.488 53.488 53.730 -0.242 18323 7198 1 19 . 1 1 56 56 ASP CB C 133 40.010 40.010 42.321 -2.311 18323 7199 1 19 . 1 1 56 56 ASP H H 133 8.415 8.415 8.315 0.100 18323 7200 1 19 . 1 1 57 57 GLY N N 134 112.821 112.821 109.435 3.386 18323 7201 1 19 . 1 1 57 57 GLY C C 134 172.847 172.847 172.592 0.255 18323 7202 1 19 . 1 1 57 57 GLY CA C 134 45.870 45.870 44.930 0.940 18323 7203 1 19 . 1 1 57 57 GLY H H 134 10.300 10.300 8.093 2.207 18323 7204 1 19 . 1 1 58 58 GLN N N 135 115.391 115.391 118.227 -2.836 18323 7205 1 19 . 1 1 58 58 GLN HA H 135 5.003 5.003 5.205 -0.202 18323 7206 1 19 . 1 1 58 58 GLN C C 135 175.019 175.019 174.493 0.526 18323 7207 1 19 . 1 1 58 58 GLN CA C 135 52.902 52.902 54.321 -1.419 18323 7208 1 19 . 1 1 58 58 GLN CB C 135 32.978 32.978 33.242 -0.264 18323 7209 1 19 . 1 1 58 58 GLN H H 135 8.022 8.022 7.801 0.221 18323 7210 1 19 . 1 1 59 59 VAL N N 136 125.596 125.596 120.177 5.419 18323 7211 1 19 . 1 1 59 59 VAL HA H 136 5.134 5.134 4.803 0.331 18323 7212 1 19 . 1 1 59 59 VAL C C 136 175.912 175.912 175.302 0.610 18323 7213 1 19 . 1 1 59 59 VAL CA C 136 61.613 61.613 59.418 2.195 18323 7214 1 19 . 1 1 59 59 VAL CB C 136 33.694 33.694 35.187 -1.493 18323 7215 1 19 . 1 1 59 59 VAL H H 136 9.176 9.176 8.299 0.877 18323 7216 1 19 . 1 1 60 60 ASN N N 137 129.229 129.229 124.249 4.980 18323 7217 1 19 . 1 1 60 60 ASN HA H 137 5.371 5.371 4.231 1.140 18323 7218 1 19 . 1 1 60 60 ASN C C 137 174.805 174.805 176.075 -1.270 18323 7219 1 19 . 1 1 60 60 ASN CA C 137 51.144 51.144 52.693 -1.549 18323 7220 1 19 . 1 1 60 60 ASN CB C 137 38.252 38.252 38.149 0.103 18323 7221 1 19 . 1 1 60 60 ASN H H 137 9.576 9.576 8.236 1.339 18323 7222 1 19 . 1 1 61 61 TYR N N 138 118.597 118.597 117.830 0.767 18323 7223 1 19 . 1 1 61 61 TYR C C 138 176.119 176.119 178.041 -1.922 18323 7224 1 19 . 1 1 61 61 TYR CA C 138 62.278 62.278 61.619 0.659 18323 7225 1 19 . 1 1 61 61 TYR CB C 138 37.666 37.666 37.561 0.105 18323 7226 1 19 . 1 1 61 61 TYR H H 138 8.268 8.268 8.146 0.122 18323 7227 1 19 . 1 1 62 62 GLU N N 139 118.441 118.441 119.804 -1.363 18323 7228 1 19 . 1 1 62 62 GLU HA H 139 4.123 4.123 4.117 0.006 18323 7229 1 19 . 1 1 62 62 GLU C C 139 179.189 179.189 179.344 -0.155 18323 7230 1 19 . 1 1 62 62 GLU CA C 139 59.934 59.934 60.170 -0.236 18323 7231 1 19 . 1 1 62 62 GLU CB C 139 28.876 28.876 29.143 -0.267 18323 7232 1 19 . 1 1 62 62 GLU H H 139 8.087 8.087 8.910 -0.823 18323 7233 1 19 . 1 1 63 63 GLU N N 140 120.992 120.992 119.279 1.713 18323 7234 1 19 . 1 1 63 63 GLU HA H 140 3.914 3.914 4.035 -0.121 18323 7235 1 19 . 1 1 63 63 GLU C C 140 179.328 179.328 178.892 0.436 18323 7236 1 19 . 1 1 63 63 GLU CA C 140 58.762 58.762 59.229 -0.467 18323 7237 1 19 . 1 1 63 63 GLU CB C 140 29.462 29.462 29.389 0.073 18323 7238 1 19 . 1 1 63 63 GLU H H 140 7.761 7.761 8.941 -1.180 18323 7239 1 19 . 1 1 64 64 PHE N N 141 123.798 123.798 119.604 4.194 18323 7240 1 19 . 1 1 64 64 PHE C C 141 176.843 176.843 176.983 -0.140 18323 7241 1 19 . 1 1 64 64 PHE CA C 141 61.692 61.692 61.009 0.683 18323 7242 1 19 . 1 1 64 64 PHE CB C 141 39.917 39.917 39.429 0.488 18323 7243 1 19 . 1 1 64 64 PHE H H 141 8.529 8.529 7.387 1.142 18323 7244 1 19 . 1 1 65 65 VAL N N 142 119.218 119.218 121.203 -1.985 18323 7245 1 19 . 1 1 65 65 VAL C C 142 179.497 179.497 178.051 1.446 18323 7246 1 19 . 1 1 65 65 VAL CA C 142 66.966 66.966 67.072 -0.106 18323 7247 1 19 . 1 1 65 65 VAL CB C 142 31.220 31.220 31.667 -0.447 18323 7248 1 19 . 1 1 65 65 VAL H H 142 8.672 8.672 9.019 -0.347 18323 7249 1 19 . 1 1 66 66 GLN N N 143 118.362 118.362 117.794 0.568 18323 7250 1 19 . 1 1 66 66 GLN HA H 143 3.845 3.845 3.871 -0.026 18323 7251 1 19 . 1 1 66 66 GLN C C 143 177.881 177.881 178.475 -0.594 18323 7252 1 19 . 1 1 66 66 GLN CA C 143 58.762 58.762 58.854 -0.092 18323 7253 1 19 . 1 1 66 66 GLN CB C 143 27.704 27.704 28.511 -0.806 18323 7254 1 19 . 1 1 66 66 GLN H H 143 7.550 7.550 8.116 -0.566 18323 7255 1 19 . 1 1 67 67 MET N N 144 116.720 116.720 119.989 -3.269 18323 7256 1 19 . 1 1 67 67 MET C C 144 177.803 177.803 178.489 -0.686 18323 7257 1 19 . 1 1 67 67 MET CA C 144 56.418 56.418 57.850 -1.432 18323 7258 1 19 . 1 1 67 67 MET CB C 144 31.806 31.806 32.474 -0.668 18323 7259 1 19 . 1 1 67 67 MET H H 144 7.300 7.300 7.695 -0.395 18323 7260 1 19 . 1 1 68 68 MET N N 145 116.116 116.116 115.962 0.154 18323 7261 1 19 . 1 1 68 68 MET HA H 145 4.115 4.115 4.237 -0.122 18323 7262 1 19 . 1 1 68 68 MET C C 145 177.203 177.203 175.593 1.610 18323 7263 1 19 . 1 1 68 68 MET CA C 145 56.418 56.418 56.805 -0.387 18323 7264 1 19 . 1 1 68 68 MET CB C 145 31.806 31.806 31.979 -0.173 18323 7265 1 19 . 1 1 68 68 MET H H 145 7.732 7.732 8.345 -0.613 18323 7266 1 19 . 1 1 69 69 THR N N 146 108.868 108.868 113.919 -5.051 18323 7267 1 19 . 1 1 69 69 THR HA H 146 4.288 4.288 4.412 -0.124 18323 7268 1 19 . 1 1 69 69 THR C C 146 174.154 174.154 173.022 1.132 18323 7269 1 19 . 1 1 69 69 THR CA C 146 61.692 61.692 61.633 0.059 18323 7270 1 19 . 1 1 69 69 THR CB C 146 69.896 69.896 69.391 0.505 18323 7271 1 19 . 1 1 69 69 THR H H 146 7.649 7.649 7.378 0.271 18323 7272 1 19 . 1 1 70 70 ALA N N 147 126.934 126.934 124.666 2.268 18323 7273 1 19 . 1 1 70 70 ALA HA H 147 4.287 4.287 4.267 0.020 18323 7274 1 19 . 1 1 70 70 ALA C C 147 176.686 176.686 177.318 -0.632 18323 7275 1 19 . 1 1 70 70 ALA CA C 147 52.902 52.902 52.552 0.350 18323 7276 1 19 . 1 1 70 70 ALA CB C 147 18.914 18.914 19.429 -0.515 18323 7277 1 19 . 1 1 70 70 ALA H H 147 7.546 7.546 7.428 0.118 18323 7278 1 20 . 1 1 2 2 THR N N 79 114.287 114.287 115.217 -0.930 18323 7279 1 20 . 1 1 2 2 THR HA H 79 4.281 4.281 4.479 -0.198 18323 7280 1 20 . 1 1 2 2 THR C C 79 174.598 174.598 174.154 0.444 18323 7281 1 20 . 1 1 2 2 THR CA C 79 62.278 62.278 62.547 -0.269 18323 7282 1 20 . 1 1 2 2 THR CB C 79 69.310 69.310 68.567 0.743 18323 7283 1 20 . 1 1 2 2 THR H H 79 8.299 8.299 8.472 -0.173 18323 7284 1 20 . 1 1 3 3 ASP N N 80 122.311 122.311 124.910 -2.599 18323 7285 1 20 . 1 1 3 3 ASP C C 80 176.788 176.788 176.292 0.496 18323 7286 1 20 . 1 1 3 3 ASP CA C 80 54.660 54.660 54.081 0.579 18323 7287 1 20 . 1 1 3 3 ASP CB C 80 41.182 41.182 41.243 -0.061 18323 7288 1 20 . 1 1 3 3 ASP H H 80 8.447 8.447 8.323 0.124 18323 7289 1 20 . 1 1 4 4 SER N N 81 116.934 116.934 112.573 4.361 18323 7290 1 20 . 1 1 4 4 SER HA H 81 4.022 4.022 4.399 -0.377 18323 7291 1 20 . 1 1 4 4 SER C C 81 175.337 175.337 175.835 -0.498 18323 7292 1 20 . 1 1 4 4 SER CA C 81 58.762 58.762 58.617 0.145 18323 7293 1 20 . 1 1 4 4 SER CB C 81 64.036 64.036 63.792 0.244 18323 7294 1 20 . 1 1 4 4 SER H H 81 8.351 8.351 7.523 0.828 18323 7295 1 20 . 1 1 5 5 GLU N N 82 123.423 123.423 123.578 -0.155 18323 7296 1 20 . 1 1 5 5 GLU HA H 82 4.112 4.112 3.918 0.194 18323 7297 1 20 . 1 1 5 5 GLU C C 82 178.067 178.067 178.122 -0.055 18323 7298 1 20 . 1 1 5 5 GLU CA C 82 59.348 59.348 59.811 -0.463 18323 7299 1 20 . 1 1 5 5 GLU CB C 82 46.749 46.749 29.509 17.240 18323 7300 1 20 . 1 1 5 5 GLU H H 82 8.588 8.588 9.047 -0.459 18323 7301 1 20 . 1 1 6 6 GLU N N 83 118.987 118.987 118.790 0.197 18323 7302 1 20 . 1 1 6 6 GLU CA C 83 59.348 59.348 59.447 -0.099 18323 7303 1 20 . 1 1 6 6 GLU CB C 83 29.462 29.462 29.155 0.307 18323 7304 1 20 . 1 1 6 6 GLU H H 83 8.412 8.412 8.629 -0.217 18323 7305 1 20 . 1 1 7 7 GLU HA H 84 4.116 4.116 4.039 0.077 18323 7306 1 20 . 1 1 7 7 GLU C C 84 178.969 178.969 179.206 -0.237 18323 7307 1 20 . 1 1 7 7 GLU CA C 84 59.348 59.348 59.228 0.120 18323 7308 1 20 . 1 1 7 7 GLU CB C 84 29.462 29.462 29.416 0.046 18323 7309 1 20 . 1 1 8 8 ILE N N 85 121.839 121.839 118.808 3.031 18323 7310 1 20 . 1 1 8 8 ILE HA H 85 3.917 3.917 3.745 0.172 18323 7311 1 20 . 1 1 8 8 ILE C C 85 178.283 178.283 178.636 -0.353 18323 7312 1 20 . 1 1 8 8 ILE CA C 85 65.208 65.208 65.225 -0.017 18323 7313 1 20 . 1 1 8 8 ILE CB C 85 37.080 37.080 37.997 -0.917 18323 7314 1 20 . 1 1 8 8 ILE H H 85 8.001 8.001 7.545 0.456 18323 7315 1 20 . 1 1 9 9 ARG N N 86 121.328 121.328 119.994 1.334 18323 7316 1 20 . 1 1 9 9 ARG HA H 86 4.260 4.260 4.165 0.095 18323 7317 1 20 . 1 1 9 9 ARG C C 86 179.291 179.291 178.689 0.602 18323 7318 1 20 . 1 1 9 9 ARG CA C 86 59.934 59.934 59.203 0.731 18323 7319 1 20 . 1 1 9 9 ARG CB C 86 29.462 29.462 29.483 -0.021 18323 7320 1 20 . 1 1 9 9 ARG H H 86 8.544 8.544 8.045 0.499 18323 7321 1 20 . 1 1 10 10 GLU N N 87 118.332 118.332 117.413 0.919 18323 7322 1 20 . 1 1 10 10 GLU HA H 87 4.116 4.116 4.164 -0.048 18323 7323 1 20 . 1 1 10 10 GLU C C 87 179.498 179.498 178.302 1.196 18323 7324 1 20 . 1 1 10 10 GLU CA C 87 59.348 59.348 58.330 1.018 18323 7325 1 20 . 1 1 10 10 GLU CB C 87 29.462 29.462 29.110 0.352 18323 7326 1 20 . 1 1 10 10 GLU H H 87 8.225 8.225 8.111 0.114 18323 7327 1 20 . 1 1 11 11 ALA N N 88 121.839 121.839 122.667 -0.828 18323 7328 1 20 . 1 1 11 11 ALA HA H 88 4.243 4.243 3.706 0.537 18323 7329 1 20 . 1 1 11 11 ALA C C 88 176.715 176.715 178.701 -1.986 18323 7330 1 20 . 1 1 11 11 ALA CA C 88 55.246 55.246 54.377 0.869 18323 7331 1 20 . 1 1 11 11 ALA CB C 88 18.136 18.136 18.378 -0.242 18323 7332 1 20 . 1 1 11 11 ALA H H 88 8.001 8.001 8.136 -0.135 18323 7333 1 20 . 1 1 12 12 PHE N N 89 118.794 118.794 118.943 -0.149 18323 7334 1 20 . 1 1 12 12 PHE HA H 89 4.934 4.934 3.941 0.993 18323 7335 1 20 . 1 1 12 12 PHE C C 89 177.370 177.370 178.085 -0.715 18323 7336 1 20 . 1 1 12 12 PHE CA C 89 62.278 62.278 62.881 -0.603 18323 7337 1 20 . 1 1 12 12 PHE CB C 89 39.424 39.424 38.522 0.902 18323 7338 1 20 . 1 1 12 12 PHE H H 89 8.630 8.630 7.778 0.852 18323 7339 1 20 . 1 1 13 13 ARG N N 90 115.837 115.837 117.144 -1.307 18323 7340 1 20 . 1 1 13 13 ARG HA H 90 3.862 3.862 4.013 -0.151 18323 7341 1 20 . 1 1 13 13 ARG C C 90 177.590 177.590 177.914 -0.324 18323 7342 1 20 . 1 1 13 13 ARG CA C 90 58.762 58.762 59.095 -0.333 18323 7343 1 20 . 1 1 13 13 ARG CB C 90 30.048 30.048 29.510 0.538 18323 7344 1 20 . 1 1 13 13 ARG H H 90 7.891 7.891 7.503 0.388 18323 7345 1 20 . 1 1 14 14 VAL N N 91 118.382 118.382 118.371 0.011 18323 7346 1 20 . 1 1 14 14 VAL C C 91 176.343 176.343 177.869 -1.526 18323 7347 1 20 . 1 1 14 14 VAL CA C 91 65.794 65.794 65.743 0.051 18323 7348 1 20 . 1 1 14 14 VAL CB C 91 31.220 31.220 31.621 -0.401 18323 7349 1 20 . 1 1 14 14 VAL H H 91 7.407 7.407 7.020 0.387 18323 7350 1 20 . 1 1 15 15 PHE N N 92 114.257 114.257 115.820 -1.563 18323 7351 1 20 . 1 1 15 15 PHE HA H 92 4.661 4.661 4.237 0.424 18323 7352 1 20 . 1 1 15 15 PHE C C 92 176.378 176.378 177.699 -1.321 18323 7353 1 20 . 1 1 15 15 PHE CA C 92 59.934 59.934 57.214 2.720 18323 7354 1 20 . 1 1 15 15 PHE CB C 92 41.182 41.182 38.119 3.063 18323 7355 1 20 . 1 1 15 15 PHE H H 92 6.892 6.892 7.558 -0.666 18323 7356 1 20 . 1 1 16 16 ASP N N 93 116.288 116.288 120.303 -4.015 18323 7357 1 20 . 1 1 16 16 ASP HA H 93 4.617 4.617 4.815 -0.198 18323 7358 1 20 . 1 1 16 16 ASP C C 93 177.695 177.695 177.522 0.173 18323 7359 1 20 . 1 1 16 16 ASP CA C 93 51.730 51.730 53.698 -1.968 18323 7360 1 20 . 1 1 16 16 ASP CB C 93 38.838 38.838 39.067 -0.229 18323 7361 1 20 . 1 1 16 16 ASP H H 93 7.847 7.847 8.614 -0.767 18323 7362 1 20 . 1 1 17 17 LYS N N 94 125.440 125.440 120.981 4.459 18323 7363 1 20 . 1 1 17 17 LYS HA H 94 3.889 3.889 3.988 -0.099 18323 7364 1 20 . 1 1 17 17 LYS C C 94 178.290 178.290 177.151 1.139 18323 7365 1 20 . 1 1 17 17 LYS CA C 94 58.762 58.762 59.129 -0.367 18323 7366 1 20 . 1 1 17 17 LYS CB C 94 32.392 32.392 32.648 -0.256 18323 7367 1 20 . 1 1 17 17 LYS H H 94 7.662 7.662 8.669 -1.007 18323 7368 1 20 . 1 1 18 18 ASP N N 95 114.292 114.292 115.343 -1.051 18323 7369 1 20 . 1 1 18 18 ASP HA H 95 4.567 4.567 4.565 0.002 18323 7370 1 20 . 1 1 18 18 ASP C C 95 177.826 177.826 177.029 0.797 18323 7371 1 20 . 1 1 18 18 ASP CA C 95 52.902 52.902 53.147 -0.245 18323 7372 1 20 . 1 1 18 18 ASP CB C 95 39.424 39.424 38.993 0.431 18323 7373 1 20 . 1 1 18 18 ASP H H 95 8.336 8.336 8.022 0.314 18323 7374 1 20 . 1 1 19 19 GLY N N 96 109.374 109.374 107.449 1.925 18323 7375 1 20 . 1 1 19 19 GLY C C 96 175.145 175.145 175.355 -0.210 18323 7376 1 20 . 1 1 19 19 GLY CA C 96 47.042 47.042 46.306 0.736 18323 7377 1 20 . 1 1 19 19 GLY H H 96 7.797 7.797 7.622 0.175 18323 7378 1 20 . 1 1 20 20 ASN N N 97 119.964 119.964 119.640 0.324 18323 7379 1 20 . 1 1 20 20 ASN HA H 97 4.670 4.670 4.598 0.072 18323 7380 1 20 . 1 1 20 20 ASN C C 97 176.120 176.120 176.728 -0.608 18323 7381 1 20 . 1 1 20 20 ASN CA C 97 52.316 52.316 52.836 -0.520 18323 7382 1 20 . 1 1 20 20 ASN CB C 97 38.252 38.252 38.880 -0.628 18323 7383 1 20 . 1 1 20 20 ASN H H 97 8.430 8.430 8.599 -0.169 18323 7384 1 20 . 1 1 21 21 GLY N N 98 112.726 112.726 107.473 5.253 18323 7385 1 20 . 1 1 21 21 GLY C C 98 172.751 172.751 172.743 0.008 18323 7386 1 20 . 1 1 21 21 GLY CA C 98 44.698 44.698 45.970 -1.272 18323 7387 1 20 . 1 1 21 21 GLY H H 98 10.638 10.638 8.359 2.279 18323 7388 1 20 . 1 1 22 22 TYR N N 99 116.415 116.415 115.098 1.317 18323 7389 1 20 . 1 1 22 22 TYR C C 99 174.795 174.795 173.653 1.142 18323 7390 1 20 . 1 1 22 22 TYR CA C 99 56.418 56.418 56.540 -0.122 18323 7391 1 20 . 1 1 22 22 TYR CB C 99 42.940 42.940 41.752 1.188 18323 7392 1 20 . 1 1 22 22 TYR H H 99 7.708 7.708 7.189 0.519 18323 7393 1 20 . 1 1 23 23 ILE N N 100 127.488 127.488 120.350 7.138 18323 7394 1 20 . 1 1 23 23 ILE C C 100 175.543 175.543 174.955 0.588 18323 7395 1 20 . 1 1 23 23 ILE CA C 100 61.106 61.106 59.626 1.480 18323 7396 1 20 . 1 1 23 23 ILE CB C 100 39.424 39.424 38.321 1.103 18323 7397 1 20 . 1 1 23 23 ILE H H 100 10.197 10.197 8.648 1.549 18323 7398 1 20 . 1 1 24 24 SER N N 101 123.860 123.860 121.971 1.889 18323 7399 1 20 . 1 1 24 24 SER HA H 101 4.973 4.973 4.932 0.041 18323 7400 1 20 . 1 1 24 24 SER C C 101 175.300 175.300 174.973 0.327 18323 7401 1 20 . 1 1 24 24 SER CA C 101 55.832 55.832 56.880 -1.048 18323 7402 1 20 . 1 1 24 24 SER CB C 101 66.966 66.966 65.937 1.029 18323 7403 1 20 . 1 1 24 24 SER H H 101 8.998 8.998 8.533 0.465 18323 7404 1 20 . 1 1 25 25 ALA N N 102 123.328 123.328 125.801 -2.473 18323 7405 1 20 . 1 1 25 25 ALA HA H 102 3.938 3.938 4.010 -0.072 18323 7406 1 20 . 1 1 25 25 ALA C C 102 179.324 179.324 179.000 0.324 18323 7407 1 20 . 1 1 25 25 ALA CA C 102 55.832 55.832 55.150 0.682 18323 7408 1 20 . 1 1 25 25 ALA CB C 102 17.742 17.742 18.208 -0.466 18323 7409 1 20 . 1 1 25 25 ALA H H 102 9.377 9.377 8.796 0.581 18323 7410 1 20 . 1 1 26 26 ALA N N 103 118.536 118.536 119.986 -1.450 18323 7411 1 20 . 1 1 26 26 ALA HA H 103 4.054 4.054 3.940 0.114 18323 7412 1 20 . 1 1 26 26 ALA C C 103 181.535 181.535 179.809 1.726 18323 7413 1 20 . 1 1 26 26 ALA CA C 103 55.246 55.246 54.701 0.545 18323 7414 1 20 . 1 1 26 26 ALA CB C 103 18.328 18.328 17.977 0.351 18323 7415 1 20 . 1 1 26 26 ALA H H 103 8.317 8.317 8.462 -0.145 18323 7416 1 20 . 1 1 27 27 GLU N N 104 120.419 120.419 118.502 1.917 18323 7417 1 20 . 1 1 27 27 GLU HA H 104 4.033 4.033 4.035 -0.002 18323 7418 1 20 . 1 1 27 27 GLU C C 104 178.950 178.950 178.861 0.089 18323 7419 1 20 . 1 1 27 27 GLU CA C 104 59.348 59.348 59.244 0.104 18323 7420 1 20 . 1 1 27 27 GLU CB C 104 28.876 28.876 29.352 -0.476 18323 7421 1 20 . 1 1 27 27 GLU H H 104 7.977 7.977 7.622 0.355 18323 7422 1 20 . 1 1 28 28 LEU N N 105 120.658 120.658 118.961 1.697 18323 7423 1 20 . 1 1 28 28 LEU HA H 105 4.178 4.178 3.999 0.179 18323 7424 1 20 . 1 1 28 28 LEU C C 105 178.402 178.402 179.107 -0.705 18323 7425 1 20 . 1 1 28 28 LEU CA C 105 58.176 58.176 57.590 0.585 18323 7426 1 20 . 1 1 28 28 LEU CB C 105 41.768 41.768 41.366 0.402 18323 7427 1 20 . 1 1 28 28 LEU H H 105 8.500 8.500 7.166 1.334 18323 7428 1 20 . 1 1 29 29 ARG N N 106 117.807 117.807 118.627 -0.820 18323 7429 1 20 . 1 1 29 29 ARG HA H 106 4.042 4.042 3.850 0.192 18323 7430 1 20 . 1 1 29 29 ARG C C 106 177.506 177.506 178.509 -1.003 18323 7431 1 20 . 1 1 29 29 ARG CA C 106 59.934 59.934 59.664 0.270 18323 7432 1 20 . 1 1 29 29 ARG CB C 106 30.634 30.634 29.373 1.261 18323 7433 1 20 . 1 1 29 29 ARG H H 106 8.727 8.727 7.699 1.028 18323 7434 1 20 . 1 1 30 30 HIS N N 107 119.849 119.849 119.392 0.457 18323 7435 1 20 . 1 1 30 30 HIS C C 107 177.862 177.862 178.052 -0.190 18323 7436 1 20 . 1 1 30 30 HIS CA C 107 59.934 59.934 57.977 1.957 18323 7437 1 20 . 1 1 30 30 HIS CB C 107 30.634 30.634 29.394 1.240 18323 7438 1 20 . 1 1 30 30 HIS H H 107 8.030 8.030 7.793 0.237 18323 7439 1 20 . 1 1 31 31 VAL N N 108 119.784 119.784 120.182 -0.398 18323 7440 1 20 . 1 1 31 31 VAL C C 108 178.437 178.437 178.193 0.244 18323 7441 1 20 . 1 1 31 31 VAL CA C 108 66.966 66.966 65.329 1.637 18323 7442 1 20 . 1 1 31 31 VAL CB C 108 31.806 31.806 31.462 0.344 18323 7443 1 20 . 1 1 31 31 VAL H H 108 8.322 8.322 7.988 0.334 18323 7444 1 20 . 1 1 32 32 MET N N 109 115.699 115.699 119.774 -4.075 18323 7445 1 20 . 1 1 32 32 MET HA H 109 4.343 4.343 4.179 0.164 18323 7446 1 20 . 1 1 32 32 MET C C 109 179.296 179.296 178.675 0.621 18323 7447 1 20 . 1 1 32 32 MET CA C 109 57.004 57.004 57.801 -0.797 18323 7448 1 20 . 1 1 32 32 MET CB C 109 29.462 29.462 31.359 -1.897 18323 7449 1 20 . 1 1 32 32 MET H H 109 8.397 8.397 9.005 -0.608 18323 7450 1 20 . 1 1 33 33 THR N N 110 116.362 116.362 115.547 0.815 18323 7451 1 20 . 1 1 33 33 THR C C 110 178.290 178.290 176.774 1.516 18323 7452 1 20 . 1 1 33 33 THR CA C 110 66.380 66.380 66.191 0.189 18323 7453 1 20 . 1 1 33 33 THR CB C 110 68.724 68.724 68.522 0.202 18323 7454 1 20 . 1 1 33 33 THR H H 110 8.296 8.296 8.069 0.227 18323 7455 1 20 . 1 1 34 34 ASN N N 111 122.809 122.809 119.380 3.429 18323 7456 1 20 . 1 1 34 34 ASN HA H 111 4.619 4.619 4.522 0.097 18323 7457 1 20 . 1 1 34 34 ASN C C 111 176.698 176.698 177.428 -0.730 18323 7458 1 20 . 1 1 34 34 ASN CA C 111 55.832 55.832 55.508 0.324 18323 7459 1 20 . 1 1 34 34 ASN CB C 111 38.252 38.252 38.475 -0.223 18323 7460 1 20 . 1 1 34 34 ASN H H 111 7.936 7.936 7.974 -0.038 18323 7461 1 20 . 1 1 35 35 LEU N N 112 118.523 118.523 117.715 0.808 18323 7462 1 20 . 1 1 35 35 LEU HA H 112 4.322 4.322 4.165 0.157 18323 7463 1 20 . 1 1 35 35 LEU C C 112 177.205 177.205 178.074 -0.869 18323 7464 1 20 . 1 1 35 35 LEU CA C 112 55.246 55.246 56.525 -1.279 18323 7465 1 20 . 1 1 35 35 LEU CB C 112 42.354 42.354 42.461 -0.107 18323 7466 1 20 . 1 1 35 35 LEU H H 112 7.815 7.815 8.354 -0.539 18323 7467 1 20 . 1 1 36 36 GLY N N 113 107.203 107.203 103.287 3.916 18323 7468 1 20 . 1 1 36 36 GLY C C 113 174.354 174.354 174.575 -0.221 18323 7469 1 20 . 1 1 36 36 GLY CA C 113 45.284 45.284 44.468 0.816 18323 7470 1 20 . 1 1 36 36 GLY H H 113 7.853 7.853 7.279 0.574 18323 7471 1 20 . 1 1 37 37 GLU N N 114 120.199 120.199 120.871 -0.672 18323 7472 1 20 . 1 1 37 37 GLU HA H 114 4.435 4.435 4.269 0.166 18323 7473 1 20 . 1 1 37 37 GLU C C 114 175.359 175.359 176.189 -0.830 18323 7474 1 20 . 1 1 37 37 GLU CA C 114 54.660 54.660 56.420 -1.760 18323 7475 1 20 . 1 1 37 37 GLU CB C 114 30.634 30.634 30.406 0.228 18323 7476 1 20 . 1 1 37 37 GLU H H 114 7.909 7.909 7.881 0.028 18323 7477 1 20 . 1 1 38 38 LYS N N 115 124.425 124.425 120.768 3.657 18323 7478 1 20 . 1 1 38 38 LYS HA H 115 4.372 4.372 4.507 -0.135 18323 7479 1 20 . 1 1 38 38 LYS C C 115 175.464 175.464 175.636 -0.172 18323 7480 1 20 . 1 1 38 38 LYS CA C 115 55.246 55.246 55.684 -0.438 18323 7481 1 20 . 1 1 38 38 LYS CB C 115 31.806 31.806 32.239 -0.433 18323 7482 1 20 . 1 1 38 38 LYS H H 115 8.642 8.642 8.566 0.076 18323 7483 1 20 . 1 1 39 39 LEU N N 116 125.258 125.258 120.832 4.426 18323 7484 1 20 . 1 1 39 39 LEU HA H 116 4.742 4.742 4.392 0.350 18323 7485 1 20 . 1 1 39 39 LEU C C 116 178.351 178.351 177.527 0.824 18323 7486 1 20 . 1 1 39 39 LEU CA C 116 54.074 54.074 54.608 -0.534 18323 7487 1 20 . 1 1 39 39 LEU CB C 116 44.112 44.112 42.938 1.174 18323 7488 1 20 . 1 1 39 39 LEU H H 116 8.102 8.102 7.723 0.379 18323 7489 1 20 . 1 1 40 40 THR N N 117 114.811 114.811 110.275 4.536 18323 7490 1 20 . 1 1 40 40 THR HA H 117 4.744 4.744 4.523 0.221 18323 7491 1 20 . 1 1 40 40 THR C C 117 175.522 175.522 174.778 0.744 18323 7492 1 20 . 1 1 40 40 THR CA C 117 60.520 60.520 60.427 0.093 18323 7493 1 20 . 1 1 40 40 THR CB C 117 71.068 71.068 71.663 -0.595 18323 7494 1 20 . 1 1 40 40 THR H H 117 9.297 9.297 8.250 1.047 18323 7495 1 20 . 1 1 41 41 ASP N N 118 121.232 121.232 126.187 -4.955 18323 7496 1 20 . 1 1 41 41 ASP C C 118 178.644 178.644 178.212 0.432 18323 7497 1 20 . 1 1 41 41 ASP CA C 118 57.590 57.590 57.788 -0.198 18323 7498 1 20 . 1 1 41 41 ASP CB C 118 39.424 39.424 40.411 -0.987 18323 7499 1 20 . 1 1 41 41 ASP H H 118 8.967 8.967 9.002 -0.035 18323 7500 1 20 . 1 1 42 42 GLU N N 119 119.357 119.357 118.267 1.090 18323 7501 1 20 . 1 1 42 42 GLU HA H 119 4.051 4.051 4.015 0.036 18323 7502 1 20 . 1 1 42 42 GLU C C 119 178.847 178.847 178.797 0.050 18323 7503 1 20 . 1 1 42 42 GLU CA C 119 59.934 59.934 59.048 0.885 18323 7504 1 20 . 1 1 42 42 GLU CB C 119 28.876 28.876 29.217 -0.341 18323 7505 1 20 . 1 1 42 42 GLU H H 119 8.679 8.679 8.668 0.011 18323 7506 1 20 . 1 1 43 43 GLU N N 120 118.761 118.761 120.482 -1.721 18323 7507 1 20 . 1 1 43 43 GLU HA H 120 4.003 4.003 4.113 -0.110 18323 7508 1 20 . 1 1 43 43 GLU C C 120 179.996 179.996 178.883 1.113 18323 7509 1 20 . 1 1 43 43 GLU CA C 120 59.348 59.348 59.060 0.288 18323 7510 1 20 . 1 1 43 43 GLU CB C 120 30.048 30.048 29.835 0.213 18323 7511 1 20 . 1 1 43 43 GLU H H 120 7.998 7.998 7.926 0.072 18323 7512 1 20 . 1 1 44 44 VAL N N 121 121.165 121.165 120.996 0.169 18323 7513 1 20 . 1 1 44 44 VAL HA H 121 3.439 3.439 3.506 -0.067 18323 7514 1 20 . 1 1 44 44 VAL C C 121 177.489 177.489 177.753 -0.264 18323 7515 1 20 . 1 1 44 44 VAL CA C 121 66.966 66.966 67.234 -0.267 18323 7516 1 20 . 1 1 44 44 VAL CB C 121 31.220 31.220 31.486 -0.267 18323 7517 1 20 . 1 1 44 44 VAL H H 121 8.051 8.051 8.430 -0.379 18323 7518 1 20 . 1 1 45 45 ASP N N 122 119.507 119.507 117.897 1.610 18323 7519 1 20 . 1 1 45 45 ASP HA H 122 4.338 4.338 4.201 0.137 18323 7520 1 20 . 1 1 45 45 ASP C C 122 179.226 179.226 178.662 0.564 18323 7521 1 20 . 1 1 45 45 ASP CA C 122 57.590 57.590 57.346 0.244 18323 7522 1 20 . 1 1 45 45 ASP CB C 122 40.596 40.596 40.709 -0.113 18323 7523 1 20 . 1 1 45 45 ASP H H 122 8.092 8.092 7.904 0.188 18323 7524 1 20 . 1 1 46 46 GLU N N 123 119.871 119.871 118.910 0.961 18323 7525 1 20 . 1 1 46 46 GLU HA H 123 4.033 4.033 4.059 -0.026 18323 7526 1 20 . 1 1 46 46 GLU C C 123 178.612 178.612 178.461 0.151 18323 7527 1 20 . 1 1 46 46 GLU CA C 123 59.348 59.348 58.627 0.721 18323 7528 1 20 . 1 1 46 46 GLU CB C 123 29.462 29.462 29.529 -0.067 18323 7529 1 20 . 1 1 46 46 GLU H H 123 8.131 8.131 7.363 0.768 18323 7530 1 20 . 1 1 47 47 MET N N 124 119.395 119.395 120.717 -1.322 18323 7531 1 20 . 1 1 47 47 MET CA C 124 60.520 60.520 58.589 1.931 18323 7532 1 20 . 1 1 47 47 MET CB C 124 32.978 32.978 32.229 0.749 18323 7533 1 20 . 1 1 47 47 MET H H 124 7.781 7.781 8.158 -0.377 18323 7534 1 20 . 1 1 48 48 ILE HA H 125 4.234 4.234 3.676 0.558 18323 7535 1 20 . 1 1 48 48 ILE C C 125 177.530 177.530 178.111 -0.581 18323 7536 1 20 . 1 1 48 48 ILE CA C 125 63.450 63.450 64.783 -1.333 18323 7537 1 20 . 1 1 48 48 ILE CB C 125 35.908 35.908 37.610 -1.702 18323 7538 1 20 . 1 1 49 49 ARG N N 126 118.403 118.403 118.193 0.210 18323 7539 1 20 . 1 1 49 49 ARG HA H 126 4.105 4.105 4.024 0.081 18323 7540 1 20 . 1 1 49 49 ARG C C 126 178.928 178.928 179.076 -0.148 18323 7541 1 20 . 1 1 49 49 ARG CA C 126 59.934 59.934 58.811 1.123 18323 7542 1 20 . 1 1 49 49 ARG CB C 126 30.414 30.414 29.731 0.683 18323 7543 1 20 . 1 1 49 49 ARG H H 126 8.555 8.555 7.553 1.002 18323 7544 1 20 . 1 1 50 50 GLU N N 127 116.347 116.347 117.052 -0.705 18323 7545 1 20 . 1 1 50 50 GLU HA H 127 4.039 4.039 4.265 -0.226 18323 7546 1 20 . 1 1 50 50 GLU C C 127 176.941 176.941 176.874 0.067 18323 7547 1 20 . 1 1 50 50 GLU CA C 127 58.762 58.762 57.456 1.306 18323 7548 1 20 . 1 1 50 50 GLU CB C 127 30.048 30.048 29.791 0.257 18323 7549 1 20 . 1 1 50 50 GLU H H 127 7.990 7.990 7.937 0.053 18323 7550 1 20 . 1 1 51 51 ALA N N 128 117.251 117.251 120.720 -3.469 18323 7551 1 20 . 1 1 51 51 ALA HA H 128 4.456 4.456 4.424 0.032 18323 7552 1 20 . 1 1 51 51 ALA C C 128 177.757 177.757 176.187 1.570 18323 7553 1 20 . 1 1 51 51 ALA CA C 128 51.730 51.730 51.528 0.202 18323 7554 1 20 . 1 1 51 51 ALA CB C 128 21.844 21.844 18.977 2.867 18323 7555 1 20 . 1 1 51 51 ALA H H 128 7.126 7.126 7.199 -0.073 18323 7556 1 20 . 1 1 52 52 ASP N N 129 117.909 117.909 119.498 -1.589 18323 7557 1 20 . 1 1 52 52 ASP HA H 129 4.502 4.502 4.813 -0.311 18323 7558 1 20 . 1 1 52 52 ASP C C 129 175.854 175.854 175.814 0.040 18323 7559 1 20 . 1 1 52 52 ASP CA C 129 54.074 54.074 53.593 0.481 18323 7560 1 20 . 1 1 52 52 ASP CB C 129 40.596 40.596 41.228 -0.632 18323 7561 1 20 . 1 1 52 52 ASP H H 129 7.962 7.962 7.562 0.400 18323 7562 1 20 . 1 1 53 53 ILE N N 130 127.900 127.900 124.037 3.863 18323 7563 1 20 . 1 1 53 53 ILE C C 130 177.995 177.995 177.264 0.731 18323 7564 1 20 . 1 1 53 53 ILE CA C 130 63.450 63.450 62.717 0.734 18323 7565 1 20 . 1 1 53 53 ILE CB C 130 38.838 38.838 38.575 0.263 18323 7566 1 20 . 1 1 53 53 ILE H H 130 8.261 8.261 8.134 0.127 18323 7567 1 20 . 1 1 54 54 ASP N N 131 116.678 116.678 119.427 -2.749 18323 7568 1 20 . 1 1 54 54 ASP HA H 131 4.541 4.541 4.514 0.027 18323 7569 1 20 . 1 1 54 54 ASP C C 131 178.283 178.283 177.603 0.680 18323 7570 1 20 . 1 1 54 54 ASP CA C 131 54.074 54.074 55.170 -1.096 18323 7571 1 20 . 1 1 54 54 ASP CB C 131 40.010 40.010 41.447 -1.437 18323 7572 1 20 . 1 1 54 54 ASP H H 131 8.372 8.372 8.190 0.182 18323 7573 1 20 . 1 1 55 55 GLY N N 132 108.866 108.866 109.057 -0.191 18323 7574 1 20 . 1 1 55 55 GLY C C 132 175.365 175.365 174.504 0.861 18323 7575 1 20 . 1 1 55 55 GLY CA C 132 47.628 47.628 45.709 1.919 18323 7576 1 20 . 1 1 55 55 GLY H H 132 7.679 7.679 9.000 -1.321 18323 7577 1 20 . 1 1 56 56 ASP N N 133 120.968 120.968 118.349 2.619 18323 7578 1 20 . 1 1 56 56 ASP HA H 133 4.493 4.493 4.719 -0.226 18323 7579 1 20 . 1 1 56 56 ASP C C 133 177.582 177.582 177.010 0.572 18323 7580 1 20 . 1 1 56 56 ASP CA C 133 53.488 53.488 52.867 0.620 18323 7581 1 20 . 1 1 56 56 ASP CB C 133 40.010 40.010 42.140 -2.130 18323 7582 1 20 . 1 1 56 56 ASP H H 133 8.415 8.415 8.081 0.334 18323 7583 1 20 . 1 1 57 57 GLY N N 134 112.821 112.821 108.434 4.387 18323 7584 1 20 . 1 1 57 57 GLY C C 134 172.847 172.847 173.317 -0.470 18323 7585 1 20 . 1 1 57 57 GLY CA C 134 45.870 45.870 44.836 1.034 18323 7586 1 20 . 1 1 57 57 GLY H H 134 10.300 10.300 8.063 2.237 18323 7587 1 20 . 1 1 58 58 GLN N N 135 115.391 115.391 118.751 -3.360 18323 7588 1 20 . 1 1 58 58 GLN HA H 135 5.003 5.003 4.713 0.290 18323 7589 1 20 . 1 1 58 58 GLN C C 135 175.019 175.019 175.168 -0.149 18323 7590 1 20 . 1 1 58 58 GLN CA C 135 52.902 52.902 54.103 -1.201 18323 7591 1 20 . 1 1 58 58 GLN CB C 135 32.978 32.978 30.361 2.617 18323 7592 1 20 . 1 1 58 58 GLN H H 135 8.022 8.022 7.828 0.194 18323 7593 1 20 . 1 1 59 59 VAL N N 136 125.596 125.596 126.066 -0.470 18323 7594 1 20 . 1 1 59 59 VAL HA H 136 5.134 5.134 4.383 0.751 18323 7595 1 20 . 1 1 59 59 VAL C C 136 175.912 175.912 175.891 0.021 18323 7596 1 20 . 1 1 59 59 VAL CA C 136 61.613 61.613 61.645 -0.032 18323 7597 1 20 . 1 1 59 59 VAL CB C 136 33.694 33.694 32.386 1.308 18323 7598 1 20 . 1 1 59 59 VAL H H 136 9.176 9.176 7.999 1.177 18323 7599 1 20 . 1 1 60 60 ASN N N 137 129.229 129.229 126.132 3.097 18323 7600 1 20 . 1 1 60 60 ASN HA H 137 5.371 5.371 4.737 0.634 18323 7601 1 20 . 1 1 60 60 ASN C C 137 174.805 174.805 176.367 -1.562 18323 7602 1 20 . 1 1 60 60 ASN CA C 137 51.144 51.144 53.722 -2.578 18323 7603 1 20 . 1 1 60 60 ASN CB C 137 38.252 38.252 39.379 -1.127 18323 7604 1 20 . 1 1 60 60 ASN H H 137 9.576 9.576 8.423 1.153 18323 7605 1 20 . 1 1 61 61 TYR N N 138 118.597 118.597 119.570 -0.973 18323 7606 1 20 . 1 1 61 61 TYR C C 138 176.119 176.119 177.797 -1.678 18323 7607 1 20 . 1 1 61 61 TYR CA C 138 62.278 62.278 62.234 0.044 18323 7608 1 20 . 1 1 61 61 TYR CB C 138 37.666 37.666 38.300 -0.634 18323 7609 1 20 . 1 1 61 61 TYR H H 138 8.268 8.268 8.902 -0.634 18323 7610 1 20 . 1 1 62 62 GLU N N 139 118.441 118.441 120.014 -1.573 18323 7611 1 20 . 1 1 62 62 GLU HA H 139 4.123 4.123 4.204 -0.081 18323 7612 1 20 . 1 1 62 62 GLU C C 139 179.189 179.189 179.046 0.143 18323 7613 1 20 . 1 1 62 62 GLU CA C 139 59.934 59.934 60.231 -0.297 18323 7614 1 20 . 1 1 62 62 GLU CB C 139 28.876 28.876 29.092 -0.216 18323 7615 1 20 . 1 1 62 62 GLU H H 139 8.087 8.087 8.997 -0.910 18323 7616 1 20 . 1 1 63 63 GLU N N 140 120.992 120.992 118.401 2.591 18323 7617 1 20 . 1 1 63 63 GLU HA H 140 3.914 3.914 4.107 -0.193 18323 7618 1 20 . 1 1 63 63 GLU C C 140 179.328 179.328 178.798 0.530 18323 7619 1 20 . 1 1 63 63 GLU CA C 140 58.762 58.762 59.262 -0.500 18323 7620 1 20 . 1 1 63 63 GLU CB C 140 29.462 29.462 29.266 0.196 18323 7621 1 20 . 1 1 63 63 GLU H H 140 7.761 7.761 8.937 -1.176 18323 7622 1 20 . 1 1 64 64 PHE N N 141 123.798 123.798 119.609 4.189 18323 7623 1 20 . 1 1 64 64 PHE C C 141 176.843 176.843 176.813 0.030 18323 7624 1 20 . 1 1 64 64 PHE CA C 141 61.692 61.692 60.385 1.307 18323 7625 1 20 . 1 1 64 64 PHE CB C 141 39.917 39.917 39.575 0.342 18323 7626 1 20 . 1 1 64 64 PHE H H 141 8.529 8.529 7.513 1.016 18323 7627 1 20 . 1 1 65 65 VAL N N 142 119.218 119.218 119.604 -0.386 18323 7628 1 20 . 1 1 65 65 VAL C C 142 179.497 179.497 177.635 1.862 18323 7629 1 20 . 1 1 65 65 VAL CA C 142 66.966 66.966 67.339 -0.373 18323 7630 1 20 . 1 1 65 65 VAL CB C 142 31.220 31.220 31.886 -0.666 18323 7631 1 20 . 1 1 65 65 VAL H H 142 8.672 8.672 8.703 -0.031 18323 7632 1 20 . 1 1 66 66 GLN N N 143 118.362 118.362 115.948 2.414 18323 7633 1 20 . 1 1 66 66 GLN HA H 143 3.845 3.845 3.901 -0.056 18323 7634 1 20 . 1 1 66 66 GLN C C 143 177.881 177.881 177.754 0.127 18323 7635 1 20 . 1 1 66 66 GLN CA C 143 58.762 58.762 58.402 0.360 18323 7636 1 20 . 1 1 66 66 GLN CB C 143 27.704 27.704 28.756 -1.052 18323 7637 1 20 . 1 1 66 66 GLN H H 143 7.550 7.550 7.963 -0.413 18323 7638 1 20 . 1 1 67 67 MET N N 144 116.720 116.720 115.844 0.876 18323 7639 1 20 . 1 1 67 67 MET C C 144 177.803 177.803 177.563 0.240 18323 7640 1 20 . 1 1 67 67 MET CA C 144 56.418 56.418 56.004 0.414 18323 7641 1 20 . 1 1 67 67 MET CB C 144 31.806 31.806 32.877 -1.071 18323 7642 1 20 . 1 1 67 67 MET H H 144 7.300 7.300 7.674 -0.374 18323 7643 1 20 . 1 1 68 68 MET N N 145 116.116 116.116 118.174 -2.058 18323 7644 1 20 . 1 1 68 68 MET HA H 145 4.115 4.115 3.961 0.154 18323 7645 1 20 . 1 1 68 68 MET C C 145 177.203 177.203 176.263 0.940 18323 7646 1 20 . 1 1 68 68 MET CA C 145 56.418 56.418 56.179 0.239 18323 7647 1 20 . 1 1 68 68 MET CB C 145 31.806 31.806 33.406 -1.599 18323 7648 1 20 . 1 1 68 68 MET H H 145 7.732 7.732 8.130 -0.398 18323 7649 1 20 . 1 1 69 69 THR N N 146 108.868 108.868 111.308 -2.440 18323 7650 1 20 . 1 1 69 69 THR HA H 146 4.288 4.288 4.085 0.203 18323 7651 1 20 . 1 1 69 69 THR C C 146 174.154 174.154 174.130 0.024 18323 7652 1 20 . 1 1 69 69 THR CA C 146 61.692 61.692 63.076 -1.384 18323 7653 1 20 . 1 1 69 69 THR CB C 146 69.896 69.896 68.320 1.577 18323 7654 1 20 . 1 1 69 69 THR H H 146 7.649 7.649 8.158 -0.509 18323 7655 1 20 . 1 1 70 70 ALA N N 147 126.934 126.934 124.792 2.142 18323 7656 1 20 . 1 1 70 70 ALA HA H 147 4.287 4.287 4.463 -0.176 18323 7657 1 20 . 1 1 70 70 ALA C C 147 176.686 176.686 176.163 0.523 18323 7658 1 20 . 1 1 70 70 ALA CA C 147 52.902 52.902 51.620 1.282 18323 7659 1 20 . 1 1 70 70 ALA CB C 147 18.914 18.914 19.933 -1.019 18323 7660 1 20 . 1 1 70 70 ALA H H 147 7.546 7.546 7.608 -0.062 18323 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 67 2.468 -0.368 2.459 18323 2 1 1 "Average Difference" HA 58 0.293 -0.123 0.269 18323 3 1 1 "Average Difference" C 67 0.912 -0.121 0.911 18323 4 1 1 "Average Difference" CA 69 0.969 -0.054 0.974 18323 5 1 1 "Average Difference" CB 64 2.368 -0.322 2.365 18323 6 1 1 "Average Difference" HN 67 0.675 -0.157 0.661 18323 7 1 2 "Average Difference" N 67 2.570 -0.148 2.585 18323 8 1 2 "Average Difference" HA 58 0.288 -0.095 0.274 18323 9 1 2 "Average Difference" C 67 0.915 -0.014 0.922 18323 10 1 2 "Average Difference" CA 69 1.001 0.004 1.008 18323 11 1 2 "Average Difference" CB 64 2.290 -0.273 2.292 18323 12 1 2 "Average Difference" HN 67 0.673 -0.097 0.671 18323 13 1 3 "Average Difference" N 67 2.598 -0.599 2.547 18323 14 1 3 "Average Difference" HA 58 0.261 -0.099 0.243 18323 15 1 3 "Average Difference" C 67 0.927 -0.022 0.934 18323 16 1 3 "Average Difference" CA 69 0.995 0.096 0.997 18323 17 1 3 "Average Difference" CB 64 2.323 -0.274 2.325 18323 18 1 3 "Average Difference" HN 67 0.677 -0.073 0.678 18323 19 1 4 "Average Difference" N 67 2.238 -0.299 2.235 18323 20 1 4 "Average Difference" HA 58 0.325 -0.153 0.289 18323 21 1 4 "Average Difference" C 67 0.958 -0.109 0.959 18323 22 1 4 "Average Difference" CA 69 0.974 -0.105 0.975 18323 23 1 4 "Average Difference" CB 64 2.350 -0.366 2.340 18323 24 1 4 "Average Difference" HN 67 0.649 -0.110 0.644 18323 25 1 5 "Average Difference" N 67 2.581 -0.426 2.564 18323 26 1 5 "Average Difference" HA 58 0.278 -0.103 0.261 18323 27 1 5 "Average Difference" C 67 0.865 -0.091 0.866 18323 28 1 5 "Average Difference" CA 69 1.030 -0.040 1.037 18323 29 1 5 "Average Difference" CB 64 2.339 -0.309 2.337 18323 30 1 5 "Average Difference" HN 67 0.701 -0.053 0.704 18323 31 1 6 "Average Difference" N 67 2.955 -0.520 2.931 18323 32 1 6 "Average Difference" HA 58 0.273 -0.092 0.259 18323 33 1 6 "Average Difference" C 67 0.946 -0.129 0.944 18323 34 1 6 "Average Difference" CA 69 1.040 -0.057 1.046 18323 35 1 6 "Average Difference" CB 64 2.354 -0.178 2.366 18323 36 1 6 "Average Difference" HN 67 0.686 -0.128 0.679 18323 37 1 7 "Average Difference" N 67 2.621 -0.267 2.627 18323 38 1 7 "Average Difference" HA 58 0.281 -0.114 0.259 18323 39 1 7 "Average Difference" C 67 0.914 -0.032 0.921 18323 40 1 7 "Average Difference" CA 69 1.044 0.171 1.038 18323 41 1 7 "Average Difference" CB 64 2.358 -0.154 2.372 18323 42 1 7 "Average Difference" HN 67 0.692 -0.049 0.696 18323 43 1 8 "Average Difference" N 67 2.814 -0.403 2.806 18323 44 1 8 "Average Difference" HA 58 0.288 -0.109 0.269 18323 45 1 8 "Average Difference" C 67 0.864 -0.031 0.870 18323 46 1 8 "Average Difference" CA 69 1.023 0.050 1.030 18323 47 1 8 "Average Difference" CB 64 2.284 -0.276 2.285 18323 48 1 8 "Average Difference" HN 67 0.715 -0.083 0.715 18323 49 1 9 "Average Difference" N 67 2.401 -0.340 2.395 18323 50 1 9 "Average Difference" HA 58 0.282 -0.103 0.265 18323 51 1 9 "Average Difference" C 67 0.924 -0.134 0.921 18323 52 1 9 "Average Difference" CA 69 0.932 -0.098 0.933 18323 53 1 9 "Average Difference" CB 64 2.324 -0.353 2.315 18323 54 1 9 "Average Difference" HN 67 0.681 -0.149 0.669 18323 55 1 10 "Average Difference" N 67 2.709 -0.479 2.687 18323 56 1 10 "Average Difference" HA 58 0.325 -0.132 0.299 18323 57 1 10 "Average Difference" C 67 0.971 -0.167 0.964 18323 58 1 10 "Average Difference" CA 69 0.959 -0.112 0.960 18323 59 1 10 "Average Difference" CB 64 2.343 -0.272 2.345 18323 60 1 10 "Average Difference" HN 67 0.708 -0.112 0.705 18323 61 1 11 "Average Difference" N 67 2.695 -0.599 2.647 18323 62 1 11 "Average Difference" HA 58 0.289 -0.112 0.269 18323 63 1 11 "Average Difference" C 67 0.901 -0.050 0.907 18323 64 1 11 "Average Difference" CA 69 0.924 -0.013 0.931 18323 65 1 11 "Average Difference" CB 64 2.343 -0.317 2.340 18323 66 1 11 "Average Difference" HN 67 0.690 -0.129 0.683 18323 67 1 12 "Average Difference" N 67 2.689 -0.299 2.693 18323 68 1 12 "Average Difference" HA 58 0.298 -0.129 0.272 18323 69 1 12 "Average Difference" C 67 0.935 -0.135 0.932 18323 70 1 12 "Average Difference" CA 69 0.912 -0.027 0.919 18323 71 1 12 "Average Difference" CB 64 2.384 -0.273 2.387 18323 72 1 12 "Average Difference" HN 67 0.700 -0.099 0.698 18323 73 1 13 "Average Difference" N 67 2.639 -0.646 2.578 18323 74 1 13 "Average Difference" HA 58 0.296 -0.124 0.271 18323 75 1 13 "Average Difference" C 67 0.938 -0.058 0.944 18323 76 1 13 "Average Difference" CA 69 1.179 0.069 1.186 18323 77 1 13 "Average Difference" CB 64 2.335 -0.217 2.343 18323 78 1 13 "Average Difference" HN 67 0.729 -0.124 0.724 18323 79 1 14 "Average Difference" N 67 2.619 -0.474 2.595 18323 80 1 14 "Average Difference" HA 58 0.283 -0.104 0.265 18323 81 1 14 "Average Difference" C 67 0.876 -0.086 0.878 18323 82 1 14 "Average Difference" CA 69 1.011 0.018 1.018 18323 83 1 14 "Average Difference" CB 64 2.375 -0.292 2.376 18323 84 1 14 "Average Difference" HN 67 0.684 -0.189 0.662 18323 85 1 15 "Average Difference" N 67 2.753 -0.470 2.733 18323 86 1 15 "Average Difference" HA 58 0.277 -0.093 0.263 18323 87 1 15 "Average Difference" C 67 0.876 -0.084 0.878 18323 88 1 15 "Average Difference" CA 69 1.029 0.021 1.036 18323 89 1 15 "Average Difference" CB 64 2.319 -0.219 2.327 18323 90 1 15 "Average Difference" HN 67 0.730 -0.082 0.731 18323 91 1 16 "Average Difference" N 67 2.733 -0.705 2.660 18323 92 1 16 "Average Difference" HA 58 0.295 -0.099 0.280 18323 93 1 16 "Average Difference" C 67 0.883 -0.054 0.888 18323 94 1 16 "Average Difference" CA 69 1.021 -0.039 1.028 18323 95 1 16 "Average Difference" CB 64 2.342 -0.325 2.338 18323 96 1 16 "Average Difference" HN 67 0.738 -0.138 0.731 18323 97 1 17 "Average Difference" N 67 2.665 -0.521 2.634 18323 98 1 17 "Average Difference" HA 58 0.308 -0.124 0.284 18323 99 1 17 "Average Difference" C 67 0.857 -0.029 0.863 18323 100 1 17 "Average Difference" CA 69 0.922 -0.069 0.926 18323 101 1 17 "Average Difference" CB 64 2.346 -0.334 2.340 18323 102 1 17 "Average Difference" HN 67 0.679 -0.114 0.675 18323 103 1 18 "Average Difference" N 67 2.555 -0.644 2.491 18323 104 1 18 "Average Difference" HA 58 0.299 -0.113 0.280 18323 105 1 18 "Average Difference" C 67 0.937 0.007 0.944 18323 106 1 18 "Average Difference" CA 69 1.058 0.086 1.062 18323 107 1 18 "Average Difference" CB 64 2.346 -0.310 2.343 18323 108 1 18 "Average Difference" HN 67 0.668 -0.153 0.655 18323 109 1 19 "Average Difference" N 67 2.494 -0.368 2.486 18323 110 1 19 "Average Difference" HA 58 0.301 -0.093 0.289 18323 111 1 19 "Average Difference" C 67 0.948 -0.098 0.950 18323 112 1 19 "Average Difference" CA 69 0.943 0.010 0.950 18323 113 1 19 "Average Difference" CB 64 2.355 -0.296 2.355 18323 114 1 19 "Average Difference" HN 67 0.683 -0.173 0.666 18323 115 1 20 "Average Difference" N 67 2.594 -0.561 2.552 18323 116 1 20 "Average Difference" HA 58 0.296 -0.118 0.274 18323 117 1 20 "Average Difference" C 67 0.804 -0.102 0.804 18323 118 1 20 "Average Difference" CA 69 0.981 -0.136 0.979 18323 119 1 20 "Average Difference" CB 64 2.383 -0.335 2.378 18323 120 1 20 "Average Difference" HN 67 0.720 -0.186 0.700 18323 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 18323 _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 2 2 THR N N 79 114.287 114.287 115.318 -1.031 18323 2 1 . 1 1 2 2 THR HA H 79 4.281 4.281 4.411 -0.130 18323 3 1 . 1 1 2 2 THR C C 79 174.598 174.598 174.610 -0.012 18323 4 1 . 1 1 2 2 THR CA C 79 62.278 62.278 62.339 -0.061 18323 5 1 . 1 1 2 2 THR CB C 79 69.310 69.310 69.786 -0.476 18323 6 1 . 1 1 2 2 THR H H 79 8.299 8.299 8.068 0.231 18323 7 1 . 1 1 3 3 ASP N N 80 122.311 122.311 122.994 -0.683 18323 8 1 . 1 1 3 3 ASP C C 80 176.788 176.788 176.662 0.126 18323 9 1 . 1 1 3 3 ASP CA C 80 54.660 54.660 54.645 0.015 18323 10 1 . 1 1 3 3 ASP CB C 80 41.182 41.182 41.085 0.097 18323 11 1 . 1 1 3 3 ASP H H 80 8.447 8.447 8.582 -0.135 18323 12 1 . 1 1 4 4 SER N N 81 116.934 116.934 114.233 2.701 18323 13 1 . 1 1 4 4 SER HA H 81 4.022 4.022 4.192 -0.170 18323 14 1 . 1 1 4 4 SER C C 81 175.337 175.337 175.230 0.107 18323 15 1 . 1 1 4 4 SER CA C 81 58.762 58.762 59.157 -0.395 18323 16 1 . 1 1 4 4 SER CB C 81 64.036 64.036 62.797 1.239 18323 17 1 . 1 1 4 4 SER H H 81 8.351 8.351 8.088 0.263 18323 18 1 . 1 1 5 5 GLU N N 82 123.423 123.423 123.231 0.192 18323 19 1 . 1 1 5 5 GLU HA H 82 4.112 4.112 3.920 0.192 18323 20 1 . 1 1 5 5 GLU C C 82 178.067 178.067 177.933 0.134 18323 21 1 . 1 1 5 5 GLU CA C 82 59.348 59.348 59.279 0.069 18323 22 1 . 1 1 5 5 GLU CB C 82 46.749 46.749 29.579 17.170 18323 23 1 . 1 1 5 5 GLU H H 82 8.588 8.588 8.686 -0.098 18323 24 1 . 1 1 6 6 GLU N N 83 118.987 118.987 118.918 0.069 18323 25 1 . 1 1 6 6 GLU CA C 83 59.348 59.348 59.265 0.083 18323 26 1 . 1 1 6 6 GLU CB C 83 29.462 29.462 29.139 0.323 18323 27 1 . 1 1 6 6 GLU H H 83 8.412 8.412 8.212 0.200 18323 28 1 . 1 1 7 7 GLU HA H 84 4.116 4.116 4.063 0.053 18323 29 1 . 1 1 7 7 GLU C C 84 178.969 178.969 179.230 -0.261 18323 30 1 . 1 1 7 7 GLU CA C 84 59.348 59.348 59.239 0.109 18323 31 1 . 1 1 7 7 GLU CB C 84 29.462 29.462 29.335 0.127 18323 32 1 . 1 1 8 8 ILE N N 85 121.839 121.839 119.045 2.794 18323 33 1 . 1 1 8 8 ILE HA H 85 3.917 3.917 3.723 0.194 18323 34 1 . 1 1 8 8 ILE C C 85 178.283 178.283 178.510 -0.227 18323 35 1 . 1 1 8 8 ILE CA C 85 65.208 65.208 65.143 0.065 18323 36 1 . 1 1 8 8 ILE CB C 85 37.080 37.080 37.785 -0.705 18323 37 1 . 1 1 8 8 ILE H H 85 8.001 8.001 7.707 0.294 18323 38 1 . 1 1 9 9 ARG N N 86 121.328 121.328 119.657 1.671 18323 39 1 . 1 1 9 9 ARG HA H 86 4.260 4.260 4.084 0.176 18323 40 1 . 1 1 9 9 ARG C C 86 179.291 179.291 178.702 0.589 18323 41 1 . 1 1 9 9 ARG CA C 86 59.934 59.934 59.503 0.431 18323 42 1 . 1 1 9 9 ARG CB C 86 29.462 29.462 29.647 -0.185 18323 43 1 . 1 1 9 9 ARG H H 86 8.544 8.544 8.115 0.429 18323 44 1 . 1 1 10 10 GLU N N 87 118.332 118.332 117.793 0.539 18323 45 1 . 1 1 10 10 GLU HA H 87 4.116 4.116 4.212 -0.096 18323 46 1 . 1 1 10 10 GLU C C 87 179.498 179.498 178.257 1.241 18323 47 1 . 1 1 10 10 GLU CA C 87 59.348 59.348 58.271 1.077 18323 48 1 . 1 1 10 10 GLU CB C 87 29.462 29.462 29.288 0.174 18323 49 1 . 1 1 10 10 GLU H H 87 8.225 8.225 7.981 0.244 18323 50 1 . 1 1 11 11 ALA N N 88 121.839 121.839 123.187 -1.348 18323 51 1 . 1 1 11 11 ALA HA H 88 4.243 4.243 4.203 0.040 18323 52 1 . 1 1 11 11 ALA C C 88 176.715 176.715 179.266 -2.551 18323 53 1 . 1 1 11 11 ALA CA C 88 55.246 55.246 54.886 0.360 18323 54 1 . 1 1 11 11 ALA CB C 88 18.136 18.136 18.443 -0.307 18323 55 1 . 1 1 11 11 ALA H H 88 8.001 8.001 8.201 -0.200 18323 56 1 . 1 1 12 12 PHE N N 89 118.794 118.794 118.322 0.472 18323 57 1 . 1 1 12 12 PHE HA H 89 4.934 4.934 4.066 0.868 18323 58 1 . 1 1 12 12 PHE C C 89 177.370 177.370 178.235 -0.865 18323 59 1 . 1 1 12 12 PHE CA C 89 62.278 62.278 62.356 -0.078 18323 60 1 . 1 1 12 12 PHE CB C 89 39.424 39.424 38.408 1.016 18323 61 1 . 1 1 12 12 PHE H H 89 8.630 8.630 7.801 0.829 18323 62 1 . 1 1 13 13 ARG N N 90 115.837 115.837 117.643 -1.806 18323 63 1 . 1 1 13 13 ARG HA H 90 3.862 3.862 4.086 -0.224 18323 64 1 . 1 1 13 13 ARG C C 90 177.590 177.590 178.079 -0.489 18323 65 1 . 1 1 13 13 ARG CA C 90 58.762 58.762 58.715 0.047 18323 66 1 . 1 1 13 13 ARG CB C 90 30.048 30.048 29.567 0.481 18323 67 1 . 1 1 13 13 ARG H H 90 7.891 7.891 7.647 0.244 18323 68 1 . 1 1 14 14 VAL N N 91 118.382 118.382 118.325 0.057 18323 69 1 . 1 1 14 14 VAL C C 91 176.343 176.343 177.865 -1.522 18323 70 1 . 1 1 14 14 VAL CA C 91 65.794 65.794 65.707 0.087 18323 71 1 . 1 1 14 14 VAL CB C 91 31.220 31.220 31.676 -0.456 18323 72 1 . 1 1 14 14 VAL H H 91 7.407 7.407 7.523 -0.116 18323 73 1 . 1 1 15 15 PHE N N 92 114.257 114.257 116.950 -2.693 18323 74 1 . 1 1 15 15 PHE HA H 92 4.661 4.661 4.224 0.437 18323 75 1 . 1 1 15 15 PHE C C 92 176.378 176.378 177.493 -1.115 18323 76 1 . 1 1 15 15 PHE CA C 92 59.934 59.934 60.039 -0.105 18323 77 1 . 1 1 15 15 PHE CB C 92 41.182 41.182 38.787 2.395 18323 78 1 . 1 1 15 15 PHE H H 92 6.892 6.892 8.081 -1.189 18323 79 1 . 1 1 16 16 ASP N N 93 116.288 116.288 119.509 -3.221 18323 80 1 . 1 1 16 16 ASP HA H 93 4.617 4.617 4.784 -0.167 18323 81 1 . 1 1 16 16 ASP C C 93 177.695 177.695 177.534 0.161 18323 82 1 . 1 1 16 16 ASP CA C 93 51.730 51.730 53.627 -1.897 18323 83 1 . 1 1 16 16 ASP CB C 93 38.838 38.838 39.016 -0.178 18323 84 1 . 1 1 16 16 ASP H H 93 7.847 7.847 8.607 -0.760 18323 85 1 . 1 1 17 17 LYS N N 94 125.440 125.440 121.680 3.760 18323 86 1 . 1 1 17 17 LYS HA H 94 3.889 3.889 3.966 -0.077 18323 87 1 . 1 1 17 17 LYS C C 94 178.290 178.290 177.389 0.901 18323 88 1 . 1 1 17 17 LYS CA C 94 58.762 58.762 59.098 -0.336 18323 89 1 . 1 1 17 17 LYS CB C 94 32.392 32.392 32.498 -0.106 18323 90 1 . 1 1 17 17 LYS H H 94 7.662 7.662 8.544 -0.882 18323 91 1 . 1 1 18 18 ASP N N 95 114.292 114.292 116.206 -1.914 18323 92 1 . 1 1 18 18 ASP HA H 95 4.567 4.567 4.596 -0.029 18323 93 1 . 1 1 18 18 ASP C C 95 177.826 177.826 176.472 1.354 18323 94 1 . 1 1 18 18 ASP CA C 95 52.902 52.902 53.816 -0.914 18323 95 1 . 1 1 18 18 ASP CB C 95 39.424 39.424 39.775 -0.351 18323 96 1 . 1 1 18 18 ASP H H 95 8.336 8.336 8.113 0.223 18323 97 1 . 1 1 19 19 GLY N N 96 109.374 109.374 107.699 1.675 18323 98 1 . 1 1 19 19 GLY C C 96 175.145 175.145 175.142 0.003 18323 99 1 . 1 1 19 19 GLY CA C 96 47.042 47.042 46.305 0.737 18323 100 1 . 1 1 19 19 GLY H H 96 7.797 7.797 7.897 -0.100 18323 101 1 . 1 1 20 20 ASN N N 97 119.964 119.964 118.108 1.856 18323 102 1 . 1 1 20 20 ASN HA H 97 4.670 4.670 4.657 0.013 18323 103 1 . 1 1 20 20 ASN C C 97 176.120 176.120 176.574 -0.454 18323 104 1 . 1 1 20 20 ASN CA C 97 52.316 52.316 52.436 -0.120 18323 105 1 . 1 1 20 20 ASN CB C 97 38.252 38.252 38.910 -0.658 18323 106 1 . 1 1 20 20 ASN H H 97 8.430 8.430 8.432 -0.002 18323 107 1 . 1 1 21 21 GLY N N 98 112.726 112.726 107.453 5.273 18323 108 1 . 1 1 21 21 GLY C C 98 172.751 172.751 172.795 -0.044 18323 109 1 . 1 1 21 21 GLY CA C 98 44.698 44.698 45.661 -0.963 18323 110 1 . 1 1 21 21 GLY H H 98 10.638 10.638 8.639 1.999 18323 111 1 . 1 1 22 22 TYR N N 99 116.415 116.415 115.709 0.706 18323 112 1 . 1 1 22 22 TYR C C 99 174.795 174.795 173.823 0.972 18323 113 1 . 1 1 22 22 TYR CA C 99 56.418 56.418 56.724 -0.306 18323 114 1 . 1 1 22 22 TYR CB C 99 42.940 42.940 41.945 0.995 18323 115 1 . 1 1 22 22 TYR H H 99 7.708 7.708 7.918 -0.210 18323 116 1 . 1 1 23 23 ILE N N 100 127.488 127.488 121.163 6.325 18323 117 1 . 1 1 23 23 ILE C C 100 175.543 175.543 175.223 0.320 18323 118 1 . 1 1 23 23 ILE CA C 100 61.106 61.106 59.184 1.922 18323 119 1 . 1 1 23 23 ILE CB C 100 39.424 39.424 38.051 1.373 18323 120 1 . 1 1 23 23 ILE H H 100 10.197 10.197 8.559 1.638 18323 121 1 . 1 1 24 24 SER N N 101 123.860 123.860 122.005 1.855 18323 122 1 . 1 1 24 24 SER HA H 101 4.973 4.973 4.898 0.075 18323 123 1 . 1 1 24 24 SER C C 101 175.300 175.300 175.360 -0.060 18323 124 1 . 1 1 24 24 SER CA C 101 55.832 55.832 56.416 -0.584 18323 125 1 . 1 1 24 24 SER CB C 101 66.966 66.966 65.545 1.421 18323 126 1 . 1 1 24 24 SER H H 101 8.998 8.998 8.836 0.162 18323 127 1 . 1 1 25 25 ALA N N 102 123.328 123.328 126.228 -2.900 18323 128 1 . 1 1 25 25 ALA HA H 102 3.938 3.938 4.091 -0.153 18323 129 1 . 1 1 25 25 ALA C C 102 179.324 179.324 178.987 0.337 18323 130 1 . 1 1 25 25 ALA CA C 102 55.832 55.832 55.221 0.611 18323 131 1 . 1 1 25 25 ALA CB C 102 17.742 17.742 18.582 -0.840 18323 132 1 . 1 1 25 25 ALA H H 102 9.377 9.377 8.961 0.416 18323 133 1 . 1 1 26 26 ALA N N 103 118.536 118.536 120.183 -1.647 18323 134 1 . 1 1 26 26 ALA HA H 103 4.054 4.054 3.983 0.071 18323 135 1 . 1 1 26 26 ALA C C 103 181.535 181.535 179.660 1.875 18323 136 1 . 1 1 26 26 ALA CA C 103 55.246 55.246 54.987 0.259 18323 137 1 . 1 1 26 26 ALA CB C 103 18.328 18.328 18.247 0.081 18323 138 1 . 1 1 26 26 ALA H H 103 8.317 8.317 8.144 0.173 18323 139 1 . 1 1 27 27 GLU N N 104 120.419 120.419 118.520 1.899 18323 140 1 . 1 1 27 27 GLU HA H 104 4.033 4.033 4.069 -0.036 18323 141 1 . 1 1 27 27 GLU C C 104 178.950 178.950 178.993 -0.043 18323 142 1 . 1 1 27 27 GLU CA C 104 59.348 59.348 59.291 0.057 18323 143 1 . 1 1 27 27 GLU CB C 104 28.876 28.876 29.349 -0.473 18323 144 1 . 1 1 27 27 GLU H H 104 7.977 7.977 7.883 0.094 18323 145 1 . 1 1 28 28 LEU N N 105 120.658 120.658 119.109 1.549 18323 146 1 . 1 1 28 28 LEU HA H 105 4.178 4.178 4.187 -0.009 18323 147 1 . 1 1 28 28 LEU C C 105 178.402 178.402 179.047 -0.645 18323 148 1 . 1 1 28 28 LEU CA C 105 58.176 58.176 57.876 0.300 18323 149 1 . 1 1 28 28 LEU CB C 105 41.768 41.768 41.394 0.374 18323 150 1 . 1 1 28 28 LEU H H 105 8.500 8.500 7.362 1.138 18323 151 1 . 1 1 29 29 ARG N N 106 117.807 117.807 117.973 -0.167 18323 152 1 . 1 1 29 29 ARG HA H 106 4.042 4.042 3.955 0.087 18323 153 1 . 1 1 29 29 ARG C C 106 177.506 177.506 178.546 -1.040 18323 154 1 . 1 1 29 29 ARG CA C 106 59.934 59.934 59.255 0.679 18323 155 1 . 1 1 29 29 ARG CB C 106 30.634 30.634 29.446 1.188 18323 156 1 . 1 1 29 29 ARG H H 106 8.727 8.727 7.675 1.052 18323 157 1 . 1 1 30 30 HIS N N 107 119.849 119.849 119.724 0.125 18323 158 1 . 1 1 30 30 HIS C C 107 177.862 177.862 177.764 0.098 18323 159 1 . 1 1 30 30 HIS CA C 107 59.934 59.934 59.273 0.661 18323 160 1 . 1 1 30 30 HIS CB C 107 30.634 30.634 30.057 0.577 18323 161 1 . 1 1 30 30 HIS H H 107 8.030 8.030 7.823 0.207 18323 162 1 . 1 1 31 31 VAL N N 108 119.784 119.784 120.273 -0.489 18323 163 1 . 1 1 31 31 VAL C C 108 178.437 178.437 177.934 0.503 18323 164 1 . 1 1 31 31 VAL CA C 108 66.966 66.966 66.145 0.821 18323 165 1 . 1 1 31 31 VAL CB C 108 31.806 31.806 31.546 0.260 18323 166 1 . 1 1 31 31 VAL H H 108 8.322 8.322 8.299 0.023 18323 167 1 . 1 1 32 32 MET N N 109 115.699 115.699 118.024 -2.325 18323 168 1 . 1 1 32 32 MET HA H 109 4.343 4.343 4.108 0.235 18323 169 1 . 1 1 32 32 MET C C 109 179.296 179.296 178.677 0.619 18323 170 1 . 1 1 32 32 MET CA C 109 57.004 57.004 58.613 -1.609 18323 171 1 . 1 1 32 32 MET CB C 109 29.462 29.462 31.383 -1.921 18323 172 1 . 1 1 32 32 MET H H 109 8.397 8.397 8.462 -0.065 18323 173 1 . 1 1 33 33 THR N N 110 116.362 116.362 115.700 0.662 18323 174 1 . 1 1 33 33 THR C C 110 178.290 178.290 176.638 1.652 18323 175 1 . 1 1 33 33 THR CA C 110 66.380 66.380 66.507 -0.127 18323 176 1 . 1 1 33 33 THR CB C 110 68.724 68.724 68.489 0.235 18323 177 1 . 1 1 33 33 THR H H 110 8.296 8.296 8.024 0.272 18323 178 1 . 1 1 34 34 ASN N N 111 122.809 122.809 119.499 3.310 18323 179 1 . 1 1 34 34 ASN HA H 111 4.619 4.619 4.483 0.136 18323 180 1 . 1 1 34 34 ASN C C 111 176.698 176.698 177.439 -0.741 18323 181 1 . 1 1 34 34 ASN CA C 111 55.832 55.832 55.460 0.372 18323 182 1 . 1 1 34 34 ASN CB C 111 38.252 38.252 38.476 -0.224 18323 183 1 . 1 1 34 34 ASN H H 111 7.936 7.936 8.175 -0.239 18323 184 1 . 1 1 35 35 LEU N N 112 118.523 118.523 118.028 0.495 18323 185 1 . 1 1 35 35 LEU HA H 112 4.322 4.322 4.103 0.219 18323 186 1 . 1 1 35 35 LEU C C 112 177.205 177.205 177.906 -0.701 18323 187 1 . 1 1 35 35 LEU CA C 112 55.246 55.246 56.459 -1.213 18323 188 1 . 1 1 35 35 LEU CB C 112 42.354 42.354 42.477 -0.123 18323 189 1 . 1 1 35 35 LEU H H 112 7.815 7.815 8.190 -0.375 18323 190 1 . 1 1 36 36 GLY N N 113 107.203 107.203 104.258 2.945 18323 191 1 . 1 1 36 36 GLY C C 113 174.354 174.354 174.242 0.112 18323 192 1 . 1 1 36 36 GLY CA C 113 45.284 45.284 44.466 0.818 18323 193 1 . 1 1 36 36 GLY H H 113 7.853 7.853 7.543 0.310 18323 194 1 . 1 1 37 37 GLU N N 114 120.199 120.199 121.587 -1.388 18323 195 1 . 1 1 37 37 GLU HA H 114 4.435 4.435 4.389 0.046 18323 196 1 . 1 1 37 37 GLU C C 114 175.359 175.359 175.929 -0.570 18323 197 1 . 1 1 37 37 GLU CA C 114 54.660 54.660 55.427 -0.767 18323 198 1 . 1 1 37 37 GLU CB C 114 30.634 30.634 30.842 -0.208 18323 199 1 . 1 1 37 37 GLU H H 114 7.909 7.909 8.100 -0.191 18323 200 1 . 1 1 38 38 LYS N N 115 124.425 124.425 124.252 0.173 18323 201 1 . 1 1 38 38 LYS HA H 115 4.372 4.372 4.319 0.053 18323 202 1 . 1 1 38 38 LYS C C 115 175.464 175.464 175.850 -0.386 18323 203 1 . 1 1 38 38 LYS CA C 115 55.246 55.246 55.950 -0.704 18323 204 1 . 1 1 38 38 LYS CB C 115 31.806 31.806 31.787 0.019 18323 205 1 . 1 1 38 38 LYS H H 115 8.642 8.642 8.592 0.050 18323 206 1 . 1 1 39 39 LEU N N 116 125.258 125.258 123.251 2.007 18323 207 1 . 1 1 39 39 LEU HA H 116 4.742 4.742 4.407 0.335 18323 208 1 . 1 1 39 39 LEU C C 116 178.351 178.351 176.947 1.404 18323 209 1 . 1 1 39 39 LEU CA C 116 54.074 54.074 54.784 -0.710 18323 210 1 . 1 1 39 39 LEU CB C 116 44.112 44.112 43.092 1.020 18323 211 1 . 1 1 39 39 LEU H H 116 8.102 8.102 7.957 0.145 18323 212 1 . 1 1 40 40 THR N N 117 114.811 114.811 111.666 3.145 18323 213 1 . 1 1 40 40 THR HA H 117 4.744 4.744 4.563 0.181 18323 214 1 . 1 1 40 40 THR C C 117 175.522 175.522 174.928 0.594 18323 215 1 . 1 1 40 40 THR CA C 117 60.520 60.520 60.593 -0.073 18323 216 1 . 1 1 40 40 THR CB C 117 71.068 71.068 71.452 -0.384 18323 217 1 . 1 1 40 40 THR H H 117 9.297 9.297 8.296 1.001 18323 218 1 . 1 1 41 41 ASP N N 118 121.232 121.232 125.417 -4.185 18323 219 1 . 1 1 41 41 ASP C C 118 178.644 178.644 178.133 0.511 18323 220 1 . 1 1 41 41 ASP CA C 118 57.590 57.590 57.703 -0.113 18323 221 1 . 1 1 41 41 ASP CB C 118 39.424 39.424 40.366 -0.942 18323 222 1 . 1 1 41 41 ASP H H 118 8.967 8.967 9.003 -0.036 18323 223 1 . 1 1 42 42 GLU N N 119 119.357 119.357 118.400 0.957 18323 224 1 . 1 1 42 42 GLU HA H 119 4.051 4.051 4.048 0.003 18323 225 1 . 1 1 42 42 GLU C C 119 178.847 178.847 178.903 -0.056 18323 226 1 . 1 1 42 42 GLU CA C 119 59.934 59.934 59.284 0.650 18323 227 1 . 1 1 42 42 GLU CB C 119 28.876 28.876 29.273 -0.397 18323 228 1 . 1 1 42 42 GLU H H 119 8.679 8.679 8.716 -0.037 18323 229 1 . 1 1 43 43 GLU N N 120 118.761 118.761 120.179 -1.418 18323 230 1 . 1 1 43 43 GLU HA H 120 4.003 4.003 4.134 -0.131 18323 231 1 . 1 1 43 43 GLU C C 120 179.996 179.996 178.848 1.148 18323 232 1 . 1 1 43 43 GLU CA C 120 59.348 59.348 58.877 0.471 18323 233 1 . 1 1 43 43 GLU CB C 120 30.048 30.048 29.572 0.476 18323 234 1 . 1 1 43 43 GLU H H 120 7.998 7.998 7.863 0.135 18323 235 1 . 1 1 44 44 VAL N N 121 121.165 121.165 121.279 -0.114 18323 236 1 . 1 1 44 44 VAL HA H 121 3.439 3.439 3.573 -0.134 18323 237 1 . 1 1 44 44 VAL C C 121 177.489 177.489 177.630 -0.141 18323 238 1 . 1 1 44 44 VAL CA C 121 66.966 66.966 67.391 -0.425 18323 239 1 . 1 1 44 44 VAL CB C 121 31.220 31.220 31.670 -0.450 18323 240 1 . 1 1 44 44 VAL H H 121 8.051 8.051 8.450 -0.399 18323 241 1 . 1 1 45 45 ASP N N 122 119.507 119.507 118.284 1.223 18323 242 1 . 1 1 45 45 ASP HA H 122 4.338 4.338 4.260 0.078 18323 243 1 . 1 1 45 45 ASP C C 122 179.226 179.226 178.748 0.478 18323 244 1 . 1 1 45 45 ASP CA C 122 57.590 57.590 57.474 0.116 18323 245 1 . 1 1 45 45 ASP CB C 122 40.596 40.596 40.733 -0.137 18323 246 1 . 1 1 45 45 ASP H H 122 8.092 8.092 8.047 0.045 18323 247 1 . 1 1 46 46 GLU N N 123 119.871 119.871 119.251 0.620 18323 248 1 . 1 1 46 46 GLU HA H 123 4.033 4.033 4.107 -0.074 18323 249 1 . 1 1 46 46 GLU C C 123 178.612 178.612 178.640 -0.028 18323 250 1 . 1 1 46 46 GLU CA C 123 59.348 59.348 58.486 0.863 18323 251 1 . 1 1 46 46 GLU CB C 123 29.462 29.462 29.622 -0.160 18323 252 1 . 1 1 46 46 GLU H H 123 8.131 8.131 7.511 0.620 18323 253 1 . 1 1 47 47 MET N N 124 119.395 119.395 120.934 -1.539 18323 254 1 . 1 1 47 47 MET CA C 124 60.520 60.520 59.534 0.986 18323 255 1 . 1 1 47 47 MET CB C 124 32.978 32.978 32.490 0.488 18323 256 1 . 1 1 47 47 MET H H 124 7.781 7.781 8.391 -0.610 18323 257 1 . 1 1 48 48 ILE HA H 125 4.234 4.234 3.661 0.573 18323 258 1 . 1 1 48 48 ILE C C 125 177.530 177.530 177.900 -0.370 18323 259 1 . 1 1 48 48 ILE CA C 125 63.450 63.450 65.176 -1.726 18323 260 1 . 1 1 48 48 ILE CB C 125 35.908 35.908 37.559 -1.651 18323 261 1 . 1 1 49 49 ARG N N 126 118.403 118.403 119.047 -0.644 18323 262 1 . 1 1 49 49 ARG HA H 126 4.105 4.105 3.974 0.131 18323 263 1 . 1 1 49 49 ARG C C 126 178.928 178.928 178.345 0.583 18323 264 1 . 1 1 49 49 ARG CA C 126 59.934 59.934 58.954 0.980 18323 265 1 . 1 1 49 49 ARG CB C 126 30.414 30.414 29.649 0.765 18323 266 1 . 1 1 49 49 ARG H H 126 8.555 8.555 7.597 0.958 18323 267 1 . 1 1 50 50 GLU N N 127 116.347 116.347 117.235 -0.888 18323 268 1 . 1 1 50 50 GLU HA H 127 4.039 4.039 4.210 -0.171 18323 269 1 . 1 1 50 50 GLU C C 127 176.941 176.941 177.705 -0.764 18323 270 1 . 1 1 50 50 GLU CA C 127 58.762 58.762 58.212 0.550 18323 271 1 . 1 1 50 50 GLU CB C 127 30.048 30.048 30.079 -0.031 18323 272 1 . 1 1 50 50 GLU H H 127 7.990 7.990 7.891 0.099 18323 273 1 . 1 1 51 51 ALA N N 128 117.251 117.251 121.070 -3.819 18323 274 1 . 1 1 51 51 ALA HA H 128 4.456 4.456 4.166 0.290 18323 275 1 . 1 1 51 51 ALA C C 128 177.757 177.757 177.624 0.133 18323 276 1 . 1 1 51 51 ALA CA C 128 51.730 51.730 53.344 -1.614 18323 277 1 . 1 1 51 51 ALA CB C 128 21.844 21.844 19.223 2.621 18323 278 1 . 1 1 51 51 ALA H H 128 7.126 7.126 7.710 -0.584 18323 279 1 . 1 1 52 52 ASP N N 129 117.909 117.909 118.304 -0.395 18323 280 1 . 1 1 52 52 ASP HA H 129 4.502 4.502 4.541 -0.039 18323 281 1 . 1 1 52 52 ASP C C 129 175.854 175.854 176.240 -0.386 18323 282 1 . 1 1 52 52 ASP CA C 129 54.074 54.074 55.210 -1.136 18323 283 1 . 1 1 52 52 ASP CB C 129 40.596 40.596 41.317 -0.721 18323 284 1 . 1 1 52 52 ASP H H 129 7.962 7.962 8.167 -0.205 18323 285 1 . 1 1 53 53 ILE N N 130 127.900 127.900 123.956 3.944 18323 286 1 . 1 1 53 53 ILE C C 130 177.995 177.995 176.954 1.041 18323 287 1 . 1 1 53 53 ILE CA C 130 63.450 63.450 61.846 1.604 18323 288 1 . 1 1 53 53 ILE CB C 130 38.838 38.838 38.477 0.360 18323 289 1 . 1 1 53 53 ILE H H 130 8.261 8.261 8.232 0.029 18323 290 1 . 1 1 54 54 ASP N N 131 116.678 116.678 118.579 -1.901 18323 291 1 . 1 1 54 54 ASP HA H 131 4.541 4.541 4.724 -0.183 18323 292 1 . 1 1 54 54 ASP C C 131 178.283 178.283 177.112 1.171 18323 293 1 . 1 1 54 54 ASP CA C 131 54.074 54.074 54.108 -0.034 18323 294 1 . 1 1 54 54 ASP CB C 131 40.010 40.010 41.535 -1.526 18323 295 1 . 1 1 54 54 ASP H H 131 8.372 8.372 8.477 -0.105 18323 296 1 . 1 1 55 55 GLY N N 132 108.866 108.866 109.447 -0.581 18323 297 1 . 1 1 55 55 GLY C C 132 175.365 175.365 174.669 0.696 18323 298 1 . 1 1 55 55 GLY CA C 132 47.628 47.628 46.112 1.516 18323 299 1 . 1 1 55 55 GLY H H 132 7.679 7.679 8.715 -1.036 18323 300 1 . 1 1 56 56 ASP N N 133 120.968 120.968 118.988 1.980 18323 301 1 . 1 1 56 56 ASP HA H 133 4.493 4.493 4.631 -0.138 18323 302 1 . 1 1 56 56 ASP C C 133 177.582 177.582 177.402 0.180 18323 303 1 . 1 1 56 56 ASP CA C 133 53.488 53.488 52.891 0.597 18323 304 1 . 1 1 56 56 ASP CB C 133 40.010 40.010 41.243 -1.233 18323 305 1 . 1 1 56 56 ASP H H 133 8.415 8.415 8.189 0.226 18323 306 1 . 1 1 57 57 GLY N N 134 112.821 112.821 108.572 4.249 18323 307 1 . 1 1 57 57 GLY C C 134 172.847 172.847 173.265 -0.418 18323 308 1 . 1 1 57 57 GLY CA C 134 45.870 45.870 45.617 0.253 18323 309 1 . 1 1 57 57 GLY H H 134 10.300 10.300 8.395 1.905 18323 310 1 . 1 1 58 58 GLN N N 135 115.391 115.391 117.878 -2.487 18323 311 1 . 1 1 58 58 GLN HA H 135 5.003 5.003 5.019 -0.016 18323 312 1 . 1 1 58 58 GLN C C 135 175.019 175.019 174.563 0.456 18323 313 1 . 1 1 58 58 GLN CA C 135 52.902 52.902 54.090 -1.188 18323 314 1 . 1 1 58 58 GLN CB C 135 32.978 32.978 32.103 0.875 18323 315 1 . 1 1 58 58 GLN H H 135 8.022 8.022 7.671 0.351 18323 316 1 . 1 1 59 59 VAL N N 136 125.596 125.596 121.293 4.303 18323 317 1 . 1 1 59 59 VAL HA H 136 5.134 5.134 4.585 0.549 18323 318 1 . 1 1 59 59 VAL C C 136 175.912 175.912 175.442 0.470 18323 319 1 . 1 1 59 59 VAL CA C 136 61.613 61.613 60.209 1.403 18323 320 1 . 1 1 59 59 VAL CB C 136 33.694 33.694 34.010 -0.316 18323 321 1 . 1 1 59 59 VAL H H 136 9.176 9.176 8.254 0.922 18323 322 1 . 1 1 60 60 ASN N N 137 129.229 129.229 124.649 4.580 18323 323 1 . 1 1 60 60 ASN HA H 137 5.371 5.371 4.579 0.792 18323 324 1 . 1 1 60 60 ASN C C 137 174.805 174.805 176.526 -1.721 18323 325 1 . 1 1 60 60 ASN CA C 137 51.144 51.144 53.323 -2.179 18323 326 1 . 1 1 60 60 ASN CB C 137 38.252 38.252 38.898 -0.646 18323 327 1 . 1 1 60 60 ASN H H 137 9.576 9.576 8.319 1.257 18323 328 1 . 1 1 61 61 TYR N N 138 118.597 118.597 119.087 -0.490 18323 329 1 . 1 1 61 61 TYR C C 138 176.119 176.119 177.874 -1.755 18323 330 1 . 1 1 61 61 TYR CA C 138 62.278 62.278 61.923 0.354 18323 331 1 . 1 1 61 61 TYR CB C 138 37.666 37.666 38.001 -0.335 18323 332 1 . 1 1 61 61 TYR H H 138 8.268 8.268 8.670 -0.402 18323 333 1 . 1 1 62 62 GLU N N 139 118.441 118.441 119.869 -1.428 18323 334 1 . 1 1 62 62 GLU HA H 139 4.123 4.123 4.125 -0.002 18323 335 1 . 1 1 62 62 GLU C C 139 179.189 179.189 178.984 0.205 18323 336 1 . 1 1 62 62 GLU CA C 139 59.934 59.934 60.094 -0.160 18323 337 1 . 1 1 62 62 GLU CB C 139 28.876 28.876 28.958 -0.082 18323 338 1 . 1 1 62 62 GLU H H 139 8.087 8.087 8.966 -0.879 18323 339 1 . 1 1 63 63 GLU N N 140 120.992 120.992 118.222 2.770 18323 340 1 . 1 1 63 63 GLU HA H 140 3.914 3.914 4.073 -0.159 18323 341 1 . 1 1 63 63 GLU C C 140 179.328 179.328 178.648 0.680 18323 342 1 . 1 1 63 63 GLU CA C 140 58.762 58.762 59.224 -0.462 18323 343 1 . 1 1 63 63 GLU CB C 140 29.462 29.462 29.308 0.154 18323 344 1 . 1 1 63 63 GLU H H 140 7.761 7.761 8.876 -1.115 18323 345 1 . 1 1 64 64 PHE N N 141 123.798 123.798 119.111 4.687 18323 346 1 . 1 1 64 64 PHE C C 141 176.843 176.843 176.924 -0.081 18323 347 1 . 1 1 64 64 PHE CA C 141 61.692 61.692 60.680 1.012 18323 348 1 . 1 1 64 64 PHE CB C 141 39.917 39.917 39.778 0.139 18323 349 1 . 1 1 64 64 PHE H H 141 8.529 8.529 7.506 1.023 18323 350 1 . 1 1 65 65 VAL N N 142 119.218 119.218 119.535 -0.317 18323 351 1 . 1 1 65 65 VAL C C 142 179.497 179.497 177.698 1.799 18323 352 1 . 1 1 65 65 VAL CA C 142 66.966 66.966 65.991 0.975 18323 353 1 . 1 1 65 65 VAL CB C 142 31.220 31.220 31.349 -0.130 18323 354 1 . 1 1 65 65 VAL H H 142 8.672 8.672 8.718 -0.046 18323 355 1 . 1 1 66 66 GLN N N 143 118.362 118.362 118.405 -0.044 18323 356 1 . 1 1 66 66 GLN HA H 143 3.845 3.845 3.965 -0.119 18323 357 1 . 1 1 66 66 GLN C C 143 177.881 177.881 178.070 -0.189 18323 358 1 . 1 1 66 66 GLN CA C 143 58.762 58.762 58.574 0.188 18323 359 1 . 1 1 66 66 GLN CB C 143 27.704 27.704 28.678 -0.974 18323 360 1 . 1 1 66 66 GLN H H 143 7.550 7.550 8.107 -0.557 18323 361 1 . 1 1 67 67 MET N N 144 116.720 116.720 116.986 -0.266 18323 362 1 . 1 1 67 67 MET C C 144 177.803 177.803 177.644 0.159 18323 363 1 . 1 1 67 67 MET CA C 144 56.418 56.418 57.073 -0.655 18323 364 1 . 1 1 67 67 MET CB C 144 31.806 31.806 32.554 -0.748 18323 365 1 . 1 1 67 67 MET H H 144 7.300 7.300 7.520 -0.220 18323 366 1 . 1 1 68 68 MET N N 145 116.116 116.116 117.668 -1.552 18323 367 1 . 1 1 68 68 MET HA H 145 4.115 4.115 3.988 0.127 18323 368 1 . 1 1 68 68 MET C C 145 177.203 177.203 176.677 0.526 18323 369 1 . 1 1 68 68 MET CA C 145 56.418 56.418 56.961 -0.543 18323 370 1 . 1 1 68 68 MET CB C 145 31.806 31.806 32.685 -0.879 18323 371 1 . 1 1 68 68 MET H H 145 7.732 7.732 7.773 -0.041 18323 372 1 . 1 1 69 69 THR N N 146 108.868 108.868 112.501 -3.633 18323 373 1 . 1 1 69 69 THR HA H 146 4.288 4.288 4.250 0.038 18323 374 1 . 1 1 69 69 THR C C 146 174.154 174.154 174.584 -0.430 18323 375 1 . 1 1 69 69 THR CA C 146 61.692 61.692 62.448 -0.757 18323 376 1 . 1 1 69 69 THR CB C 146 69.896 69.896 69.039 0.857 18323 377 1 . 1 1 69 69 THR H H 146 7.649 7.649 7.889 -0.240 18323 378 1 . 1 1 70 70 ALA N N 147 126.934 126.934 124.582 2.352 18323 379 1 . 1 1 70 70 ALA HA H 147 4.287 4.287 4.274 0.013 18323 380 1 . 1 1 70 70 ALA C C 147 176.686 176.686 176.800 -0.114 18323 381 1 . 1 1 70 70 ALA CA C 147 52.902 52.902 52.276 0.626 18323 382 1 . 1 1 70 70 ALA CB C 147 18.914 18.914 19.041 -0.127 18323 383 1 . 1 1 70 70 ALA H H 147 7.546 7.546 7.648 -0.102 18323 stop_ save_