data_19840 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19840 _Entry.PDB_ID 2MM0 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 19840 _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 CYS N N 2 119.737 119.737 116.868 2.869 19840 2 1 1 . 1 1 2 2 CYS HA H 2 5.082 5.082 5.402 -0.320 19840 3 1 1 . 1 1 2 2 CYS CA C 2 53.264 53.264 57.676 -4.412 19840 4 1 1 . 1 1 2 2 CYS CB C 2 39.218 39.218 31.756 7.462 19840 5 1 1 . 1 1 2 2 CYS H H 2 9.003 9.003 9.017 -0.014 19840 6 1 1 . 1 1 3 3 VAL N N 3 126.716 126.716 119.105 7.611 19840 7 1 1 . 1 1 3 3 VAL HA H 3 4.177 4.177 4.291 -0.114 19840 8 1 1 . 1 1 3 3 VAL CA C 3 64.132 64.132 61.185 2.947 19840 9 1 1 . 1 1 3 3 VAL CB C 3 31.608 31.608 34.775 -3.167 19840 10 1 1 . 1 1 3 3 VAL H H 3 8.647 8.647 8.535 0.112 19840 11 1 1 . 1 1 4 4 ALA N N 4 134.327 134.327 128.767 5.560 19840 12 1 1 . 1 1 4 4 ALA HA H 4 4.773 4.773 4.965 -0.192 19840 13 1 1 . 1 1 4 4 ALA CA C 4 49.964 49.964 50.047 -0.083 19840 14 1 1 . 1 1 4 4 ALA CB C 4 22.047 22.047 22.491 -0.444 19840 15 1 1 . 1 1 4 4 ALA H H 4 9.282 9.282 8.953 0.329 19840 16 1 1 . 1 1 5 5 ASN N N 5 119.560 119.560 119.467 0.093 19840 17 1 1 . 1 1 5 5 ASN HA H 5 5.516 5.516 5.393 0.123 19840 18 1 1 . 1 1 5 5 ASN CA C 5 50.853 50.853 52.422 -1.569 19840 19 1 1 . 1 1 5 5 ASN CB C 5 40.194 40.194 43.724 -3.530 19840 20 1 1 . 1 1 5 5 ASN H H 5 8.760 8.760 8.673 0.087 19840 21 1 1 . 1 1 6 6 ILE N N 6 123.118 123.118 122.579 0.539 19840 22 1 1 . 1 1 6 6 ILE HA H 6 4.961 4.961 5.009 -0.048 19840 23 1 1 . 1 1 6 6 ILE CA C 6 57.398 57.398 59.483 -2.085 19840 24 1 1 . 1 1 6 6 ILE CB C 6 35.561 35.561 38.805 -3.244 19840 25 1 1 . 1 1 6 6 ILE H H 6 9.093 9.093 8.983 0.110 19840 26 1 1 . 1 1 7 7 LEU N N 7 128.607 128.607 126.707 1.900 19840 27 1 1 . 1 1 7 7 LEU HA H 7 5.399 5.399 5.104 0.295 19840 28 1 1 . 1 1 7 7 LEU CA C 7 52.382 52.382 53.409 -1.027 19840 29 1 1 . 1 1 7 7 LEU CB C 7 44.218 44.218 44.472 -0.254 19840 30 1 1 . 1 1 7 7 LEU H H 7 8.896 8.896 9.113 -0.217 19840 31 1 1 . 1 1 8 8 ASN N N 8 114.552 114.552 119.829 -5.277 19840 32 1 1 . 1 1 8 8 ASN HA H 8 4.847 4.847 4.877 -0.030 19840 33 1 1 . 1 1 8 8 ASN CA C 8 50.359 50.359 51.504 -1.145 19840 34 1 1 . 1 1 8 8 ASN CB C 8 39.476 39.476 38.957 0.519 19840 35 1 1 . 1 1 8 8 ASN H H 8 8.341 8.341 8.459 -0.118 19840 36 1 1 . 1 1 9 9 ILE N N 9 120.261 120.261 119.250 1.011 19840 37 1 1 . 1 1 9 9 ILE HA H 9 4.013 4.013 4.040 -0.027 19840 38 1 1 . 1 1 9 9 ILE CA C 9 63.509 63.509 63.283 0.226 19840 39 1 1 . 1 1 9 9 ILE CB C 9 38.538 38.538 38.282 0.256 19840 40 1 1 . 1 1 9 9 ILE H H 9 8.713 8.713 8.638 0.075 19840 41 1 1 . 1 1 10 10 ASN N N 10 117.798 117.798 116.361 1.437 19840 42 1 1 . 1 1 10 10 ASN HA H 10 4.897 4.897 4.774 0.123 19840 43 1 1 . 1 1 10 10 ASN CA C 10 52.939 52.939 53.121 -0.182 19840 44 1 1 . 1 1 10 10 ASN CB C 10 38.741 38.741 38.825 -0.084 19840 45 1 1 . 1 1 10 10 ASN H H 10 7.242 7.242 8.040 -0.798 19840 46 1 1 . 1 1 11 11 GLU N N 11 112.166 112.166 115.201 -3.035 19840 47 1 1 . 1 1 11 11 GLU HA H 11 3.548 3.548 3.863 -0.315 19840 48 1 1 . 1 1 11 11 GLU CA C 11 58.111 58.111 57.546 0.565 19840 49 1 1 . 1 1 11 11 GLU CB C 11 25.932 25.932 26.963 -1.031 19840 50 1 1 . 1 1 11 11 GLU H H 11 8.242 8.242 8.185 0.057 19840 51 1 1 . 1 1 12 12 ALA N N 12 121.641 121.641 121.268 0.373 19840 52 1 1 . 1 1 12 12 ALA HA H 12 4.502 4.502 4.568 -0.066 19840 53 1 1 . 1 1 12 12 ALA CA C 12 50.413 50.413 50.863 -0.450 19840 54 1 1 . 1 1 12 12 ALA CB C 12 19.623 19.623 20.522 -0.899 19840 55 1 1 . 1 1 12 12 ALA H H 12 7.798 7.798 8.660 -0.862 19840 56 1 1 . 1 1 13 13 VAL N N 13 121.315 121.315 126.292 -4.977 19840 57 1 1 . 1 1 13 13 VAL HA H 13 4.076 4.076 3.973 0.103 19840 58 1 1 . 1 1 13 13 VAL CA C 13 63.484 63.484 64.471 -0.987 19840 59 1 1 . 1 1 13 13 VAL CB C 13 31.277 31.277 31.330 -0.053 19840 60 1 1 . 1 1 13 13 VAL H H 13 8.512 8.512 8.800 -0.288 19840 61 1 1 . 1 1 14 14 ILE N N 14 121.921 121.921 123.722 -1.801 19840 62 1 1 . 1 1 14 14 ILE HA H 14 4.635 4.635 4.581 0.054 19840 63 1 1 . 1 1 14 14 ILE CA C 14 61.188 61.188 60.863 0.325 19840 64 1 1 . 1 1 14 14 ILE CB C 14 39.644 39.644 38.663 0.980 19840 65 1 1 . 1 1 14 14 ILE H H 14 9.293 9.293 9.147 0.146 19840 66 1 1 . 1 1 15 15 ALA N N 15 123.193 123.193 121.807 1.386 19840 67 1 1 . 1 1 15 15 ALA HA H 15 4.624 4.624 4.846 -0.222 19840 68 1 1 . 1 1 15 15 ALA CA C 15 52.546 52.546 51.237 1.309 19840 69 1 1 . 1 1 15 15 ALA CB C 15 22.693 22.693 22.356 0.337 19840 70 1 1 . 1 1 15 15 ALA H H 15 7.941 7.941 7.834 0.107 19840 71 1 1 . 1 1 16 16 THR N N 16 114.723 114.723 115.046 -0.323 19840 72 1 1 . 1 1 16 16 THR HA H 16 5.738 5.738 5.333 0.405 19840 73 1 1 . 1 1 16 16 THR CA C 16 60.046 60.046 60.506 -0.460 19840 74 1 1 . 1 1 16 16 THR CB C 16 70.929 70.929 70.775 0.154 19840 75 1 1 . 1 1 16 16 THR H H 16 8.582 8.582 8.714 -0.132 19840 76 1 1 . 1 1 17 17 GLY N N 17 111.166 111.166 108.777 2.389 19840 77 1 1 . 1 1 17 17 GLY CA C 17 45.095 45.095 45.612 -0.517 19840 78 1 1 . 1 1 17 17 GLY H H 17 8.576 8.576 8.549 0.027 19840 79 1 1 . 1 1 18 18 CYS N N 18 121.493 121.493 119.748 1.745 19840 80 1 1 . 1 1 18 18 CYS HA H 18 4.930 4.930 4.933 -0.003 19840 81 1 1 . 1 1 18 18 CYS CA C 18 53.999 53.999 57.729 -3.730 19840 82 1 1 . 1 1 18 18 CYS CB C 18 39.899 39.899 27.643 12.256 19840 83 1 1 . 1 1 18 18 CYS H H 18 8.622 8.622 8.475 0.147 19840 84 1 1 . 1 1 19 19 VAL N N 19 131.185 131.185 128.693 2.492 19840 85 1 1 . 1 1 19 19 VAL HA H 19 4.019 4.019 4.594 -0.575 19840 86 1 1 . 1 1 19 19 VAL CA C 19 59.537 59.537 59.459 0.078 19840 87 1 1 . 1 1 19 19 VAL CB C 19 33.825 33.825 35.111 -1.286 19840 88 1 1 . 1 1 19 19 VAL H H 19 9.414 9.414 9.055 0.359 19840 89 1 1 . 1 1 20 20 PRO HA H 20 4.012 4.012 4.430 -0.418 19840 90 1 1 . 1 1 20 20 PRO CA C 20 62.492 62.492 62.572 -0.080 19840 91 1 1 . 1 1 20 20 PRO CB C 20 31.931 31.931 32.169 -0.238 19840 92 1 1 . 1 1 21 21 ALA N N 21 127.518 127.518 120.816 6.702 19840 93 1 1 . 1 1 21 21 ALA HA H 21 3.907 3.907 4.184 -0.277 19840 94 1 1 . 1 1 21 21 ALA CA C 21 53.558 53.558 51.872 1.686 19840 95 1 1 . 1 1 21 21 ALA CB C 21 17.717 17.717 18.896 -1.179 19840 96 1 1 . 1 1 21 21 ALA H H 21 8.147 8.147 8.043 0.104 19840 97 1 1 . 1 1 22 22 GLY N N 22 114.819 114.819 112.638 2.181 19840 98 1 1 . 1 1 22 22 GLY CA C 22 46.038 46.038 45.307 0.731 19840 99 1 1 . 1 1 22 22 GLY H H 22 7.292 7.292 8.186 -0.894 19840 100 1 1 . 1 1 23 23 GLY N N 23 111.300 111.300 108.312 2.988 19840 101 1 1 . 1 1 23 23 GLY CA C 23 44.366 44.366 44.180 0.186 19840 102 1 1 . 1 1 23 23 GLY H H 23 8.204 8.204 7.625 0.579 19840 103 1 1 . 1 1 24 24 GLU N N 24 116.771 116.771 118.086 -1.315 19840 104 1 1 . 1 1 24 24 GLU HA H 24 5.594 5.594 5.035 0.559 19840 105 1 1 . 1 1 24 24 GLU CA C 24 53.749 53.749 55.606 -1.857 19840 106 1 1 . 1 1 24 24 GLU CB C 24 35.193 35.193 33.146 2.047 19840 107 1 1 . 1 1 24 24 GLU H H 24 8.131 8.131 8.290 -0.159 19840 108 1 1 . 1 1 25 25 LEU N N 25 121.029 121.029 122.140 -1.111 19840 109 1 1 . 1 1 25 25 LEU HA H 25 4.465 4.465 4.673 -0.208 19840 110 1 1 . 1 1 25 25 LEU CA C 25 54.586 54.586 53.969 0.616 19840 111 1 1 . 1 1 25 25 LEU CB C 25 49.054 49.054 47.012 2.042 19840 112 1 1 . 1 1 25 25 LEU H H 25 8.899 8.899 8.932 -0.033 19840 113 1 1 . 1 1 26 26 ARG N N 26 128.131 128.131 124.163 3.968 19840 114 1 1 . 1 1 26 26 ARG HA H 26 4.864 4.864 4.564 0.300 19840 115 1 1 . 1 1 26 26 ARG CA C 26 55.359 55.359 55.505 -0.146 19840 116 1 1 . 1 1 26 26 ARG CB C 26 29.623 29.623 30.223 -0.600 19840 117 1 1 . 1 1 26 26 ARG H H 26 8.604 8.604 8.433 0.171 19840 118 1 1 . 1 1 27 27 ILE N N 27 129.246 129.246 126.606 2.640 19840 119 1 1 . 1 1 27 27 ILE HA H 27 4.202 4.202 3.925 0.277 19840 120 1 1 . 1 1 27 27 ILE CA C 27 60.765 60.765 60.457 0.308 19840 121 1 1 . 1 1 27 27 ILE CB C 27 40.383 40.383 39.856 0.527 19840 122 1 1 . 1 1 27 27 ILE H H 27 9.029 9.029 8.456 0.573 19840 123 1 1 . 1 1 28 28 PHE N N 28 127.383 127.383 124.144 3.239 19840 124 1 1 . 1 1 28 28 PHE HA H 28 3.968 3.968 4.916 -0.948 19840 125 1 1 . 1 1 28 28 PHE CA C 28 58.921 58.921 56.649 2.272 19840 126 1 1 . 1 1 28 28 PHE CB C 28 39.444 39.444 39.414 0.029 19840 127 1 1 . 1 1 28 28 PHE H H 28 8.885 8.885 8.390 0.494 19840 128 1 1 . 1 1 29 29 VAL N N 29 124.164 124.164 123.963 0.201 19840 129 1 1 . 1 1 29 29 VAL HA H 29 3.887 3.887 4.606 -0.719 19840 130 1 1 . 1 1 29 29 VAL CA C 29 61.099 61.099 60.322 0.777 19840 131 1 1 . 1 1 29 29 VAL CB C 29 30.194 30.194 34.547 -4.353 19840 132 1 1 . 1 1 29 29 VAL H H 29 8.396 8.396 8.330 0.066 19840 133 1 1 . 1 1 30 30 GLY N N 30 113.336 113.336 115.358 -2.022 19840 134 1 1 . 1 1 30 30 GLY CA C 30 46.252 46.252 47.505 -1.252 19840 135 1 1 . 1 1 30 30 GLY H H 30 8.376 8.376 9.118 -0.742 19840 136 1 1 . 1 1 31 31 SER H H 31 8.290 8.290 7.865 0.425 19840 137 1 1 . 1 1 32 32 SER N N 32 114.602 114.602 114.926 -0.324 19840 138 1 1 . 1 1 32 32 SER HA H 32 4.572 4.572 4.469 0.103 19840 139 1 1 . 1 1 32 32 SER CA C 32 59.632 59.632 59.126 0.506 19840 140 1 1 . 1 1 32 32 SER CB C 32 64.882 64.882 64.415 0.467 19840 141 1 1 . 1 1 32 32 SER H H 32 8.344 8.344 8.045 0.299 19840 142 1 1 . 1 1 33 33 HIS N N 33 114.790 114.790 120.873 -6.083 19840 143 1 1 . 1 1 33 33 HIS HA H 33 4.881 4.881 4.679 0.202 19840 144 1 1 . 1 1 33 33 HIS CA C 33 55.139 55.139 57.136 -1.997 19840 145 1 1 . 1 1 33 33 HIS CB C 33 29.454 29.454 31.259 -1.805 19840 146 1 1 . 1 1 33 33 HIS H H 33 7.586 7.586 8.075 -0.489 19840 147 1 1 . 1 1 34 34 SER N N 34 112.452 112.452 114.440 -1.988 19840 148 1 1 . 1 1 34 34 SER HA H 34 4.651 4.651 4.985 -0.334 19840 149 1 1 . 1 1 34 34 SER CA C 34 56.296 56.296 58.007 -1.711 19840 150 1 1 . 1 1 34 34 SER CB C 34 66.406 66.406 65.334 1.072 19840 151 1 1 . 1 1 34 34 SER H H 34 8.169 8.169 7.909 0.260 19840 152 1 1 . 1 1 35 35 TYR N N 35 116.118 116.118 120.613 -4.495 19840 153 1 1 . 1 1 35 35 TYR HA H 35 5.047 5.047 4.775 0.272 19840 154 1 1 . 1 1 35 35 TYR CA C 35 55.601 55.601 57.709 -2.107 19840 155 1 1 . 1 1 35 35 TYR CB C 35 43.070 43.070 43.164 -0.094 19840 156 1 1 . 1 1 35 35 TYR H H 35 8.493 8.493 8.721 -0.228 19840 157 1 1 . 1 1 36 36 LEU N N 36 125.430 125.430 126.085 -0.655 19840 158 1 1 . 1 1 36 36 LEU HA H 36 4.565 4.565 4.755 -0.190 19840 159 1 1 . 1 1 36 36 LEU CA C 36 53.796 53.796 54.764 -0.968 19840 160 1 1 . 1 1 36 36 LEU CB C 36 41.810 41.810 43.270 -1.460 19840 161 1 1 . 1 1 36 36 LEU H H 36 8.476 8.476 8.851 -0.375 19840 162 1 1 . 1 1 37 37 ILE N N 37 129.763 129.763 126.824 2.939 19840 163 1 1 . 1 1 37 37 ILE HA H 37 4.607 4.607 4.657 -0.050 19840 164 1 1 . 1 1 37 37 ILE CA C 37 57.337 57.337 58.320 -0.983 19840 165 1 1 . 1 1 37 37 ILE CB C 37 37.601 37.601 39.071 -1.470 19840 166 1 1 . 1 1 37 37 ILE H H 37 8.512 8.512 9.160 -0.648 19840 167 1 1 . 1 1 38 38 LYS N N 38 125.927 125.927 126.457 -0.530 19840 168 1 1 . 1 1 38 38 LYS HA H 38 4.958 4.958 5.035 -0.077 19840 169 1 1 . 1 1 38 38 LYS CA C 38 54.054 54.054 54.257 -0.203 19840 170 1 1 . 1 1 38 38 LYS CB C 38 34.807 34.807 33.916 0.891 19840 171 1 1 . 1 1 38 38 LYS H H 38 8.849 8.849 9.083 -0.234 19840 172 1 1 . 1 1 39 39 ALA N N 39 124.260 124.260 128.693 -4.433 19840 173 1 1 . 1 1 39 39 ALA HA H 39 5.671 5.671 5.263 0.408 19840 174 1 1 . 1 1 39 39 ALA CA C 39 49.202 49.202 50.059 -0.858 19840 175 1 1 . 1 1 39 39 ALA CB C 39 23.170 23.170 20.675 2.495 19840 176 1 1 . 1 1 39 39 ALA H H 39 8.498 8.498 8.718 -0.220 19840 177 1 1 . 1 1 40 40 THR N N 40 112.492 112.492 117.799 -5.307 19840 178 1 1 . 1 1 40 40 THR HA H 40 4.651 4.651 4.446 0.205 19840 179 1 1 . 1 1 40 40 THR CA C 40 60.482 60.482 61.294 -0.812 19840 180 1 1 . 1 1 40 40 THR CB C 40 71.335 71.335 70.462 0.873 19840 181 1 1 . 1 1 40 40 THR H H 40 8.996 8.996 8.325 0.671 19840 182 1 1 . 1 1 41 41 SER H H 41 8.288 8.288 8.678 -0.390 19840 183 1 1 . 1 1 42 42 SER N N 42 113.261 113.261 114.361 -1.100 19840 184 1 1 . 1 1 42 42 SER HA H 42 4.636 4.636 4.493 0.143 19840 185 1 1 . 1 1 42 42 SER CA C 42 57.101 57.101 58.159 -1.058 19840 186 1 1 . 1 1 42 42 SER CB C 42 62.842 62.842 63.362 -0.520 19840 187 1 1 . 1 1 42 42 SER H H 42 7.629 7.629 7.994 -0.365 19840 188 1 1 . 1 1 43 43 CYS N N 43 111.527 111.527 116.554 -5.027 19840 189 1 1 . 1 1 43 43 CYS HA H 43 4.311 4.311 4.209 0.102 19840 190 1 1 . 1 1 43 43 CYS CA C 43 54.093 54.093 59.727 -5.635 19840 191 1 1 . 1 1 43 43 CYS CB C 43 32.030 32.030 25.189 6.841 19840 192 1 1 . 1 1 43 43 CYS H H 43 8.008 8.008 8.059 -0.051 19840 193 1 1 . 1 1 44 44 GLY N N 44 107.262 107.262 106.982 0.280 19840 194 1 1 . 1 1 44 44 GLY CA C 44 45.585 45.585 44.764 0.821 19840 195 1 1 . 1 1 44 44 GLY H H 44 8.222 8.222 8.010 0.212 19840 196 1 1 . 1 1 45 45 LEU N N 45 127.185 127.185 124.356 2.829 19840 197 1 1 . 1 1 45 45 LEU HA H 45 5.586 5.586 5.369 0.217 19840 198 1 1 . 1 1 45 45 LEU CA C 45 53.741 53.741 54.241 -0.500 19840 199 1 1 . 1 1 45 45 LEU CB C 45 44.311 44.311 43.413 0.898 19840 200 1 1 . 1 1 45 45 LEU H H 45 8.684 8.684 8.347 0.337 19840 201 1 1 . 1 1 46 46 SER N N 46 114.241 114.241 116.973 -2.732 19840 202 1 1 . 1 1 46 46 SER HA H 46 4.595 4.595 4.567 0.028 19840 203 1 1 . 1 1 46 46 SER CA C 46 57.466 57.466 57.711 -0.245 19840 204 1 1 . 1 1 46 46 SER CB C 46 65.844 65.844 65.150 0.694 19840 205 1 1 . 1 1 46 46 SER H H 46 8.856 8.856 8.203 0.653 19840 206 1 1 . 1 1 47 47 LEU N N 47 120.302 120.302 123.612 -3.310 19840 207 1 1 . 1 1 47 47 LEU HA H 47 4.756 4.756 4.842 -0.086 19840 208 1 1 . 1 1 47 47 LEU CA C 47 53.725 53.725 54.734 -1.009 19840 209 1 1 . 1 1 47 47 LEU CB C 47 43.078 43.078 43.144 -0.066 19840 210 1 1 . 1 1 47 47 LEU H H 47 8.482 8.482 8.727 -0.245 19840 211 1 1 . 1 1 48 48 THR N N 48 119.533 119.533 118.725 0.808 19840 212 1 1 . 1 1 48 48 THR HA H 48 4.211 4.211 4.390 -0.179 19840 213 1 1 . 1 1 48 48 THR CA C 48 63.095 63.095 62.525 0.570 19840 214 1 1 . 1 1 48 48 THR CB C 48 69.170 69.170 68.407 0.762 19840 215 1 1 . 1 1 48 48 THR H H 48 8.472 8.472 8.687 -0.215 19840 216 1 1 . 1 1 49 49 ASN N N 49 120.348 120.348 120.956 -0.608 19840 217 1 1 . 1 1 49 49 ASN HA H 49 4.511 4.511 4.297 0.214 19840 218 1 1 . 1 1 49 49 ASN CA C 49 53.577 53.577 54.588 -1.011 19840 219 1 1 . 1 1 49 49 ASN CB C 49 37.381 37.381 38.180 -0.799 19840 220 1 1 . 1 1 49 49 ASN H H 49 8.967 8.967 8.731 0.236 19840 221 1 1 . 1 1 50 50 GLN N N 50 114.907 114.907 116.329 -1.422 19840 222 1 1 . 1 1 50 50 GLN HA H 50 4.672 4.672 4.584 0.088 19840 223 1 1 . 1 1 50 50 GLN CA C 50 54.515 54.515 54.752 -0.237 19840 224 1 1 . 1 1 50 50 GLN CB C 50 34.947 34.947 32.439 2.508 19840 225 1 1 . 1 1 50 50 GLN H H 50 7.207 7.207 7.988 -0.781 19840 226 1 1 . 1 1 51 51 VAL N N 51 112.350 112.350 115.315 -2.965 19840 227 1 1 . 1 1 51 51 VAL HA H 51 4.430 4.430 4.604 -0.174 19840 228 1 1 . 1 1 51 51 VAL CA C 51 59.441 59.441 59.687 -0.246 19840 229 1 1 . 1 1 51 51 VAL CB C 51 34.108 34.108 33.651 0.457 19840 230 1 1 . 1 1 51 51 VAL H H 51 7.575 7.575 8.111 -0.536 19840 231 1 1 . 1 1 52 52 PHE N N 52 119.853 119.853 118.193 1.660 19840 232 1 1 . 1 1 52 52 PHE HA H 52 4.422 4.422 4.483 -0.061 19840 233 1 1 . 1 1 52 52 PHE CA C 52 60.310 60.310 56.750 3.560 19840 234 1 1 . 1 1 52 52 PHE CB C 52 40.650 40.650 39.723 0.927 19840 235 1 1 . 1 1 52 52 PHE H H 52 8.221 8.221 8.123 0.098 19840 236 1 1 . 1 1 53 53 ILE N N 53 116.505 116.505 113.652 2.853 19840 237 1 1 . 1 1 53 53 ILE HA H 53 4.688 4.688 4.269 0.419 19840 238 1 1 . 1 1 53 53 ILE CA C 53 59.582 59.582 60.509 -0.927 19840 239 1 1 . 1 1 53 53 ILE CB C 53 41.131 41.131 41.566 -0.435 19840 240 1 1 . 1 1 53 53 ILE H H 53 8.436 8.436 8.002 0.434 19840 241 1 1 . 1 1 54 54 ASN N N 54 113.329 113.329 123.569 -10.240 19840 242 1 1 . 1 1 54 54 ASN HA H 54 4.351 4.351 4.482 -0.131 19840 243 1 1 . 1 1 54 54 ASN CA C 54 54.129 54.129 54.196 -0.067 19840 244 1 1 . 1 1 54 54 ASN CB C 54 37.453 37.453 37.907 -0.454 19840 245 1 1 . 1 1 54 54 ASN H H 54 8.889 8.889 9.273 -0.384 19840 246 1 1 . 1 1 55 55 GLY N N 55 107.928 107.928 102.724 5.204 19840 247 1 1 . 1 1 55 55 GLY CA C 55 46.132 46.132 45.164 0.968 19840 248 1 1 . 1 1 55 55 GLY H H 55 8.911 8.911 8.652 0.259 19840 249 1 1 . 1 1 56 56 GLU N N 56 119.227 119.227 121.682 -2.455 19840 250 1 1 . 1 1 56 56 GLU HA H 56 4.590 4.590 4.593 -0.003 19840 251 1 1 . 1 1 56 56 GLU CA C 56 55.616 55.616 57.373 -1.757 19840 252 1 1 . 1 1 56 56 GLU CB C 56 30.193 30.193 30.547 -0.354 19840 253 1 1 . 1 1 56 56 GLU H H 56 7.646 7.646 8.133 -0.487 19840 254 1 1 . 1 1 57 57 SER N N 57 109.621 109.621 119.154 -9.533 19840 255 1 1 . 1 1 57 57 SER HA H 57 2.577 2.577 4.696 -2.119 19840 256 1 1 . 1 1 57 57 SER CA C 57 57.073 57.073 57.150 -0.077 19840 257 1 1 . 1 1 57 57 SER CB C 57 64.367 64.367 65.461 -1.094 19840 258 1 1 . 1 1 57 57 SER H H 57 7.939 7.939 8.367 -0.428 19840 259 1 1 . 1 1 58 58 VAL N N 58 115.887 115.887 117.665 -1.778 19840 260 1 1 . 1 1 58 58 VAL HA H 58 5.488 5.488 5.249 0.239 19840 261 1 1 . 1 1 58 58 VAL CA C 58 57.914 57.914 59.922 -2.008 19840 262 1 1 . 1 1 58 58 VAL CB C 58 34.794 34.794 34.211 0.583 19840 263 1 1 . 1 1 58 58 VAL H H 58 7.721 7.721 8.137 -0.416 19840 264 1 1 . 1 1 59 59 GLN N N 59 126.845 126.845 123.995 2.850 19840 265 1 1 . 1 1 59 59 GLN HA H 59 4.669 4.669 4.671 -0.002 19840 266 1 1 . 1 1 59 59 GLN CA C 59 53.560 53.560 53.701 -0.141 19840 267 1 1 . 1 1 59 59 GLN CB C 59 33.889 33.889 33.338 0.551 19840 268 1 1 . 1 1 59 59 GLN H H 59 9.107 9.107 8.878 0.229 19840 269 1 1 . 1 1 60 60 SER N N 60 119.479 119.479 118.964 0.515 19840 270 1 1 . 1 1 60 60 SER HA H 60 4.768 4.768 4.792 -0.024 19840 271 1 1 . 1 1 60 60 SER CA C 60 58.438 58.438 57.610 0.828 19840 272 1 1 . 1 1 60 60 SER CB C 60 63.484 63.484 63.303 0.181 19840 273 1 1 . 1 1 60 60 SER H H 60 8.959 8.959 8.743 0.216 19840 274 1 1 . 1 1 61 61 GLY N N 61 113.757 113.757 112.583 1.174 19840 275 1 1 . 1 1 61 61 GLY CA C 61 44.893 44.893 45.519 -0.626 19840 276 1 1 . 1 1 61 61 GLY H H 61 8.287 8.287 8.316 -0.029 19840 277 1 1 . 1 1 62 62 GLY N N 62 108.329 108.329 107.379 0.950 19840 278 1 1 . 1 1 62 62 GLY CA C 62 43.932 43.932 44.464 -0.532 19840 279 1 1 . 1 1 62 62 GLY H H 62 7.868 7.868 7.460 0.408 19840 280 1 1 . 1 1 63 63 ARG N N 63 122.424 122.424 121.590 0.834 19840 281 1 1 . 1 1 63 63 ARG HA H 63 5.229 5.229 4.859 0.370 19840 282 1 1 . 1 1 63 63 ARG CA C 63 54.037 54.037 54.978 -0.942 19840 283 1 1 . 1 1 63 63 ARG CB C 63 31.849 31.849 31.247 0.602 19840 284 1 1 . 1 1 63 63 ARG H H 63 8.730 8.730 8.286 0.444 19840 285 1 2 . 1 1 2 2 CYS N N 2 119.737 119.737 117.926 1.811 19840 286 1 2 . 1 1 2 2 CYS HA H 2 5.082 5.082 5.217 -0.135 19840 287 1 2 . 1 1 2 2 CYS CA C 2 53.264 53.264 58.487 -5.223 19840 288 1 2 . 1 1 2 2 CYS CB C 2 39.218 39.218 30.317 8.900 19840 289 1 2 . 1 1 2 2 CYS H H 2 9.003 9.003 8.787 0.216 19840 290 1 2 . 1 1 3 3 VAL N N 3 126.716 126.716 119.903 6.813 19840 291 1 2 . 1 1 3 3 VAL HA H 3 4.177 4.177 4.201 -0.024 19840 292 1 2 . 1 1 3 3 VAL CA C 3 64.132 64.132 61.835 2.297 19840 293 1 2 . 1 1 3 3 VAL CB C 3 31.608 31.608 33.579 -1.971 19840 294 1 2 . 1 1 3 3 VAL H H 3 8.647 8.647 8.439 0.208 19840 295 1 2 . 1 1 4 4 ALA N N 4 134.327 134.327 129.519 4.808 19840 296 1 2 . 1 1 4 4 ALA HA H 4 4.773 4.773 4.779 -0.006 19840 297 1 2 . 1 1 4 4 ALA CA C 4 49.964 49.964 50.457 -0.493 19840 298 1 2 . 1 1 4 4 ALA CB C 4 22.047 22.047 22.054 -0.007 19840 299 1 2 . 1 1 4 4 ALA H H 4 9.282 9.282 8.791 0.491 19840 300 1 2 . 1 1 5 5 ASN N N 5 119.560 119.560 120.192 -0.632 19840 301 1 2 . 1 1 5 5 ASN HA H 5 5.516 5.516 5.325 0.191 19840 302 1 2 . 1 1 5 5 ASN CA C 5 50.853 50.853 51.930 -1.077 19840 303 1 2 . 1 1 5 5 ASN CB C 5 40.194 40.194 43.246 -3.052 19840 304 1 2 . 1 1 5 5 ASN H H 5 8.760 8.760 8.566 0.194 19840 305 1 2 . 1 1 6 6 ILE N N 6 123.118 123.118 122.158 0.960 19840 306 1 2 . 1 1 6 6 ILE HA H 6 4.961 4.961 4.985 -0.024 19840 307 1 2 . 1 1 6 6 ILE CA C 6 57.398 57.398 59.546 -2.148 19840 308 1 2 . 1 1 6 6 ILE CB C 6 35.561 35.561 39.139 -3.578 19840 309 1 2 . 1 1 6 6 ILE H H 6 9.093 9.093 8.596 0.497 19840 310 1 2 . 1 1 7 7 LEU N N 7 128.607 128.607 125.636 2.971 19840 311 1 2 . 1 1 7 7 LEU HA H 7 5.399 5.399 4.928 0.471 19840 312 1 2 . 1 1 7 7 LEU CA C 7 52.382 52.382 53.515 -1.133 19840 313 1 2 . 1 1 7 7 LEU CB C 7 44.218 44.218 44.721 -0.503 19840 314 1 2 . 1 1 7 7 LEU H H 7 8.896 8.896 8.972 -0.076 19840 315 1 2 . 1 1 8 8 ASN N N 8 114.552 114.552 118.662 -4.110 19840 316 1 2 . 1 1 8 8 ASN HA H 8 4.847 4.847 4.826 0.021 19840 317 1 2 . 1 1 8 8 ASN CA C 8 50.359 50.359 52.440 -2.081 19840 318 1 2 . 1 1 8 8 ASN CB C 8 39.476 39.476 39.556 -0.080 19840 319 1 2 . 1 1 8 8 ASN H H 8 8.341 8.341 8.322 0.019 19840 320 1 2 . 1 1 9 9 ILE N N 9 120.261 120.261 119.801 0.460 19840 321 1 2 . 1 1 9 9 ILE HA H 9 4.013 4.013 4.073 -0.060 19840 322 1 2 . 1 1 9 9 ILE CA C 9 63.509 63.509 63.728 -0.219 19840 323 1 2 . 1 1 9 9 ILE CB C 9 38.538 38.538 38.248 0.290 19840 324 1 2 . 1 1 9 9 ILE H H 9 8.713 8.713 8.712 0.001 19840 325 1 2 . 1 1 10 10 ASN N N 10 117.798 117.798 116.594 1.204 19840 326 1 2 . 1 1 10 10 ASN HA H 10 4.897 4.897 4.767 0.130 19840 327 1 2 . 1 1 10 10 ASN CA C 10 52.939 52.939 52.819 0.120 19840 328 1 2 . 1 1 10 10 ASN CB C 10 38.741 38.741 38.701 0.040 19840 329 1 2 . 1 1 10 10 ASN H H 10 7.242 7.242 7.926 -0.684 19840 330 1 2 . 1 1 11 11 GLU N N 11 112.166 112.166 115.476 -3.310 19840 331 1 2 . 1 1 11 11 GLU HA H 11 3.548 3.548 3.884 -0.336 19840 332 1 2 . 1 1 11 11 GLU CA C 11 58.111 58.111 57.023 1.088 19840 333 1 2 . 1 1 11 11 GLU CB C 11 25.932 25.932 27.266 -1.334 19840 334 1 2 . 1 1 11 11 GLU H H 11 8.242 8.242 8.085 0.157 19840 335 1 2 . 1 1 12 12 ALA N N 12 121.641 121.641 120.728 0.913 19840 336 1 2 . 1 1 12 12 ALA HA H 12 4.502 4.502 4.501 0.001 19840 337 1 2 . 1 1 12 12 ALA CA C 12 50.413 50.413 50.671 -0.258 19840 338 1 2 . 1 1 12 12 ALA CB C 12 19.623 19.623 19.949 -0.326 19840 339 1 2 . 1 1 12 12 ALA H H 12 7.798 7.798 7.802 -0.004 19840 340 1 2 . 1 1 13 13 VAL N N 13 121.315 121.315 127.294 -5.979 19840 341 1 2 . 1 1 13 13 VAL HA H 13 4.076 4.076 3.996 0.080 19840 342 1 2 . 1 1 13 13 VAL CA C 13 63.484 63.484 64.463 -0.979 19840 343 1 2 . 1 1 13 13 VAL CB C 13 31.277 31.277 31.340 -0.063 19840 344 1 2 . 1 1 13 13 VAL H H 13 8.512 8.512 8.831 -0.319 19840 345 1 2 . 1 1 14 14 ILE N N 14 121.921 121.921 123.245 -1.324 19840 346 1 2 . 1 1 14 14 ILE HA H 14 4.635 4.635 4.538 0.097 19840 347 1 2 . 1 1 14 14 ILE CA C 14 61.188 61.188 60.628 0.560 19840 348 1 2 . 1 1 14 14 ILE CB C 14 39.644 39.644 38.682 0.962 19840 349 1 2 . 1 1 14 14 ILE H H 14 9.293 9.293 8.982 0.311 19840 350 1 2 . 1 1 15 15 ALA N N 15 123.193 123.193 122.592 0.601 19840 351 1 2 . 1 1 15 15 ALA HA H 15 4.624 4.624 4.872 -0.248 19840 352 1 2 . 1 1 15 15 ALA CA C 15 52.546 52.546 51.213 1.333 19840 353 1 2 . 1 1 15 15 ALA CB C 15 22.693 22.693 22.259 0.433 19840 354 1 2 . 1 1 15 15 ALA H H 15 7.941 7.941 7.847 0.094 19840 355 1 2 . 1 1 16 16 THR N N 16 114.723 114.723 111.196 3.527 19840 356 1 2 . 1 1 16 16 THR HA H 16 5.738 5.738 5.525 0.213 19840 357 1 2 . 1 1 16 16 THR CA C 16 60.046 60.046 60.571 -0.525 19840 358 1 2 . 1 1 16 16 THR CB C 16 70.929 70.929 72.314 -1.385 19840 359 1 2 . 1 1 16 16 THR H H 16 8.582 8.582 8.608 -0.026 19840 360 1 2 . 1 1 17 17 GLY N N 17 111.166 111.166 108.530 2.636 19840 361 1 2 . 1 1 17 17 GLY CA C 17 45.095 45.095 45.212 -0.117 19840 362 1 2 . 1 1 17 17 GLY H H 17 8.576 8.576 8.512 0.064 19840 363 1 2 . 1 1 18 18 CYS N N 18 121.493 121.493 120.167 1.326 19840 364 1 2 . 1 1 18 18 CYS HA H 18 4.930 4.930 4.885 0.045 19840 365 1 2 . 1 1 18 18 CYS CA C 18 53.999 53.999 57.667 -3.668 19840 366 1 2 . 1 1 18 18 CYS CB C 18 39.899 39.899 28.121 11.778 19840 367 1 2 . 1 1 18 18 CYS H H 18 8.622 8.622 8.500 0.122 19840 368 1 2 . 1 1 19 19 VAL N N 19 131.185 131.185 127.927 3.258 19840 369 1 2 . 1 1 19 19 VAL HA H 19 4.019 4.019 4.618 -0.599 19840 370 1 2 . 1 1 19 19 VAL CA C 19 59.537 59.537 59.030 0.507 19840 371 1 2 . 1 1 19 19 VAL CB C 19 33.825 33.825 34.788 -0.964 19840 372 1 2 . 1 1 19 19 VAL H H 19 9.414 9.414 9.063 0.351 19840 373 1 2 . 1 1 20 20 PRO HA H 20 4.012 4.012 4.569 -0.557 19840 374 1 2 . 1 1 20 20 PRO CA C 20 62.492 62.492 62.438 0.054 19840 375 1 2 . 1 1 20 20 PRO CB C 20 31.931 31.931 32.219 -0.288 19840 376 1 2 . 1 1 21 21 ALA N N 21 127.518 127.518 121.167 6.351 19840 377 1 2 . 1 1 21 21 ALA HA H 21 3.907 3.907 4.168 -0.261 19840 378 1 2 . 1 1 21 21 ALA CA C 21 53.558 53.558 51.797 1.761 19840 379 1 2 . 1 1 21 21 ALA CB C 21 17.717 17.717 18.891 -1.174 19840 380 1 2 . 1 1 21 21 ALA H H 21 8.147 8.147 8.066 0.081 19840 381 1 2 . 1 1 22 22 GLY N N 22 114.819 114.819 113.389 1.430 19840 382 1 2 . 1 1 22 22 GLY CA C 22 46.038 46.038 45.463 0.575 19840 383 1 2 . 1 1 22 22 GLY H H 22 7.292 7.292 8.384 -1.092 19840 384 1 2 . 1 1 23 23 GLY N N 23 111.300 111.300 107.230 4.070 19840 385 1 2 . 1 1 23 23 GLY CA C 23 44.366 44.366 43.785 0.581 19840 386 1 2 . 1 1 23 23 GLY H H 23 8.204 8.204 7.495 0.709 19840 387 1 2 . 1 1 24 24 GLU N N 24 116.771 116.771 119.145 -2.374 19840 388 1 2 . 1 1 24 24 GLU HA H 24 5.594 5.594 4.947 0.647 19840 389 1 2 . 1 1 24 24 GLU CA C 24 53.749 53.749 55.258 -1.509 19840 390 1 2 . 1 1 24 24 GLU CB C 24 35.193 35.193 32.222 2.971 19840 391 1 2 . 1 1 24 24 GLU H H 24 8.131 8.131 8.110 0.021 19840 392 1 2 . 1 1 25 25 LEU N N 25 121.029 121.029 122.598 -1.569 19840 393 1 2 . 1 1 25 25 LEU HA H 25 4.465 4.465 4.682 -0.217 19840 394 1 2 . 1 1 25 25 LEU CA C 25 54.586 54.586 54.156 0.430 19840 395 1 2 . 1 1 25 25 LEU CB C 25 49.054 49.054 46.881 2.173 19840 396 1 2 . 1 1 25 25 LEU H H 25 8.899 8.899 8.914 -0.015 19840 397 1 2 . 1 1 26 26 ARG N N 26 128.131 128.131 123.402 4.729 19840 398 1 2 . 1 1 26 26 ARG HA H 26 4.864 4.864 4.650 0.214 19840 399 1 2 . 1 1 26 26 ARG CA C 26 55.359 55.359 55.629 -0.270 19840 400 1 2 . 1 1 26 26 ARG CB C 26 29.623 29.623 30.802 -1.179 19840 401 1 2 . 1 1 26 26 ARG H H 26 8.604 8.604 8.457 0.147 19840 402 1 2 . 1 1 27 27 ILE N N 27 129.246 129.246 126.356 2.890 19840 403 1 2 . 1 1 27 27 ILE HA H 27 4.202 4.202 3.916 0.286 19840 404 1 2 . 1 1 27 27 ILE CA C 27 60.765 60.765 59.954 0.811 19840 405 1 2 . 1 1 27 27 ILE CB C 27 40.383 40.383 40.569 -0.186 19840 406 1 2 . 1 1 27 27 ILE H H 27 9.029 9.029 8.545 0.484 19840 407 1 2 . 1 1 28 28 PHE N N 28 127.383 127.383 125.823 1.560 19840 408 1 2 . 1 1 28 28 PHE HA H 28 3.968 3.968 4.829 -0.861 19840 409 1 2 . 1 1 28 28 PHE CA C 28 58.921 58.921 56.790 2.131 19840 410 1 2 . 1 1 28 28 PHE CB C 28 39.444 39.444 38.630 0.814 19840 411 1 2 . 1 1 28 28 PHE H H 28 8.885 8.885 8.151 0.734 19840 412 1 2 . 1 1 29 29 VAL N N 29 124.164 124.164 121.786 2.378 19840 413 1 2 . 1 1 29 29 VAL HA H 29 3.887 3.887 4.520 -0.633 19840 414 1 2 . 1 1 29 29 VAL CA C 29 61.099 61.099 61.074 0.025 19840 415 1 2 . 1 1 29 29 VAL CB C 29 30.194 30.194 33.659 -3.465 19840 416 1 2 . 1 1 29 29 VAL H H 29 8.396 8.396 8.178 0.218 19840 417 1 2 . 1 1 30 30 GLY N N 30 113.336 113.336 116.380 -3.044 19840 418 1 2 . 1 1 30 30 GLY CA C 30 46.252 46.252 45.091 1.161 19840 419 1 2 . 1 1 30 30 GLY H H 30 8.376 8.376 8.881 -0.505 19840 420 1 2 . 1 1 31 31 SER H H 31 8.290 8.290 8.412 -0.122 19840 421 1 2 . 1 1 32 32 SER N N 32 114.602 114.602 113.373 1.229 19840 422 1 2 . 1 1 32 32 SER HA H 32 4.572 4.572 4.517 0.055 19840 423 1 2 . 1 1 32 32 SER CA C 32 59.632 59.632 58.460 1.172 19840 424 1 2 . 1 1 32 32 SER CB C 32 64.882 64.882 64.164 0.718 19840 425 1 2 . 1 1 32 32 SER H H 32 8.344 8.344 7.986 0.358 19840 426 1 2 . 1 1 33 33 HIS N N 33 114.790 114.790 119.384 -4.594 19840 427 1 2 . 1 1 33 33 HIS HA H 33 4.881 4.881 4.924 -0.043 19840 428 1 2 . 1 1 33 33 HIS CA C 33 55.139 55.139 54.925 0.214 19840 429 1 2 . 1 1 33 33 HIS CB C 33 29.454 29.454 32.076 -2.622 19840 430 1 2 . 1 1 33 33 HIS H H 33 7.586 7.586 8.124 -0.538 19840 431 1 2 . 1 1 34 34 SER N N 34 112.452 112.452 113.277 -0.825 19840 432 1 2 . 1 1 34 34 SER HA H 34 4.651 4.651 5.123 -0.472 19840 433 1 2 . 1 1 34 34 SER CA C 34 56.296 56.296 57.617 -1.321 19840 434 1 2 . 1 1 34 34 SER CB C 34 66.406 66.406 66.174 0.232 19840 435 1 2 . 1 1 34 34 SER H H 34 8.169 8.169 8.092 0.077 19840 436 1 2 . 1 1 35 35 TYR N N 35 116.118 116.118 118.888 -2.770 19840 437 1 2 . 1 1 35 35 TYR HA H 35 5.047 5.047 4.605 0.442 19840 438 1 2 . 1 1 35 35 TYR CA C 35 55.601 55.601 57.543 -1.942 19840 439 1 2 . 1 1 35 35 TYR CB C 35 43.070 43.070 42.564 0.506 19840 440 1 2 . 1 1 35 35 TYR H H 35 8.493 8.493 8.764 -0.271 19840 441 1 2 . 1 1 36 36 LEU N N 36 125.430 125.430 125.407 0.023 19840 442 1 2 . 1 1 36 36 LEU HA H 36 4.565 4.565 4.662 -0.097 19840 443 1 2 . 1 1 36 36 LEU CA C 36 53.796 53.796 54.761 -0.965 19840 444 1 2 . 1 1 36 36 LEU CB C 36 41.810 41.810 43.370 -1.560 19840 445 1 2 . 1 1 36 36 LEU H H 36 8.476 8.476 8.628 -0.152 19840 446 1 2 . 1 1 37 37 ILE N N 37 129.763 129.763 127.003 2.760 19840 447 1 2 . 1 1 37 37 ILE HA H 37 4.607 4.607 4.370 0.237 19840 448 1 2 . 1 1 37 37 ILE CA C 37 57.337 57.337 59.100 -1.763 19840 449 1 2 . 1 1 37 37 ILE CB C 37 37.601 37.601 38.784 -1.183 19840 450 1 2 . 1 1 37 37 ILE H H 37 8.512 8.512 9.127 -0.615 19840 451 1 2 . 1 1 38 38 LYS N N 38 125.927 125.927 128.195 -2.268 19840 452 1 2 . 1 1 38 38 LYS HA H 38 4.958 4.958 4.841 0.117 19840 453 1 2 . 1 1 38 38 LYS CA C 38 54.054 54.054 54.730 -0.676 19840 454 1 2 . 1 1 38 38 LYS CB C 38 34.807 34.807 34.999 -0.192 19840 455 1 2 . 1 1 38 38 LYS H H 38 8.849 8.849 8.993 -0.144 19840 456 1 2 . 1 1 39 39 ALA N N 39 124.260 124.260 131.384 -7.124 19840 457 1 2 . 1 1 39 39 ALA HA H 39 5.671 5.671 4.983 0.688 19840 458 1 2 . 1 1 39 39 ALA CA C 39 49.202 49.202 50.405 -1.203 19840 459 1 2 . 1 1 39 39 ALA CB C 39 23.170 23.170 20.286 2.884 19840 460 1 2 . 1 1 39 39 ALA H H 39 8.498 8.498 8.857 -0.359 19840 461 1 2 . 1 1 40 40 THR N N 40 112.492 112.492 119.433 -6.941 19840 462 1 2 . 1 1 40 40 THR HA H 40 4.651 4.651 4.332 0.319 19840 463 1 2 . 1 1 40 40 THR CA C 40 60.482 60.482 61.416 -0.934 19840 464 1 2 . 1 1 40 40 THR CB C 40 71.335 71.335 69.475 1.860 19840 465 1 2 . 1 1 40 40 THR H H 40 8.996 8.996 8.251 0.745 19840 466 1 2 . 1 1 41 41 SER H H 41 8.288 8.288 8.629 -0.341 19840 467 1 2 . 1 1 42 42 SER N N 42 113.261 113.261 113.576 -0.315 19840 468 1 2 . 1 1 42 42 SER HA H 42 4.636 4.636 4.563 0.073 19840 469 1 2 . 1 1 42 42 SER CA C 42 57.101 57.101 57.788 -0.687 19840 470 1 2 . 1 1 42 42 SER CB C 42 62.842 62.842 63.320 -0.478 19840 471 1 2 . 1 1 42 42 SER H H 42 7.629 7.629 7.737 -0.108 19840 472 1 2 . 1 1 43 43 CYS N N 43 111.527 111.527 117.739 -6.212 19840 473 1 2 . 1 1 43 43 CYS HA H 43 4.311 4.311 4.139 0.172 19840 474 1 2 . 1 1 43 43 CYS CA C 43 54.093 54.093 59.477 -5.384 19840 475 1 2 . 1 1 43 43 CYS CB C 43 32.030 32.030 25.165 6.865 19840 476 1 2 . 1 1 43 43 CYS H H 43 8.008 8.008 8.369 -0.361 19840 477 1 2 . 1 1 44 44 GLY N N 44 107.262 107.262 107.331 -0.069 19840 478 1 2 . 1 1 44 44 GLY CA C 44 45.585 45.585 44.681 0.904 19840 479 1 2 . 1 1 44 44 GLY H H 44 8.222 8.222 8.159 0.063 19840 480 1 2 . 1 1 45 45 LEU N N 45 127.185 127.185 126.974 0.211 19840 481 1 2 . 1 1 45 45 LEU HA H 45 5.586 5.586 5.193 0.393 19840 482 1 2 . 1 1 45 45 LEU CA C 45 53.741 53.741 55.148 -1.407 19840 483 1 2 . 1 1 45 45 LEU CB C 45 44.311 44.311 42.905 1.406 19840 484 1 2 . 1 1 45 45 LEU H H 45 8.684 8.684 8.324 0.360 19840 485 1 2 . 1 1 46 46 SER N N 46 114.241 114.241 113.968 0.273 19840 486 1 2 . 1 1 46 46 SER HA H 46 4.595 4.595 4.558 0.037 19840 487 1 2 . 1 1 46 46 SER CA C 46 57.466 57.466 57.618 -0.152 19840 488 1 2 . 1 1 46 46 SER CB C 46 65.844 65.844 64.725 1.119 19840 489 1 2 . 1 1 46 46 SER H H 46 8.856 8.856 8.167 0.689 19840 490 1 2 . 1 1 47 47 LEU N N 47 120.302 120.302 124.485 -4.183 19840 491 1 2 . 1 1 47 47 LEU HA H 47 4.756 4.756 4.723 0.033 19840 492 1 2 . 1 1 47 47 LEU CA C 47 53.725 53.725 55.239 -1.514 19840 493 1 2 . 1 1 47 47 LEU CB C 47 43.078 43.078 43.183 -0.105 19840 494 1 2 . 1 1 47 47 LEU H H 47 8.482 8.482 8.578 -0.096 19840 495 1 2 . 1 1 48 48 THR N N 48 119.533 119.533 116.781 2.752 19840 496 1 2 . 1 1 48 48 THR HA H 48 4.211 4.211 4.450 -0.239 19840 497 1 2 . 1 1 48 48 THR CA C 48 63.095 63.095 61.362 1.733 19840 498 1 2 . 1 1 48 48 THR CB C 48 69.170 69.170 69.592 -0.422 19840 499 1 2 . 1 1 48 48 THR H H 48 8.472 8.472 8.479 -0.007 19840 500 1 2 . 1 1 49 49 ASN N N 49 120.348 120.348 121.110 -0.762 19840 501 1 2 . 1 1 49 49 ASN HA H 49 4.511 4.511 4.434 0.077 19840 502 1 2 . 1 1 49 49 ASN CA C 49 53.577 53.577 54.593 -1.016 19840 503 1 2 . 1 1 49 49 ASN CB C 49 37.381 37.381 38.110 -0.729 19840 504 1 2 . 1 1 49 49 ASN H H 49 8.967 8.967 8.719 0.248 19840 505 1 2 . 1 1 50 50 GLN N N 50 114.907 114.907 116.732 -1.825 19840 506 1 2 . 1 1 50 50 GLN HA H 50 4.672 4.672 4.408 0.264 19840 507 1 2 . 1 1 50 50 GLN CA C 50 54.515 54.515 54.862 -0.347 19840 508 1 2 . 1 1 50 50 GLN CB C 50 34.947 34.947 31.695 3.252 19840 509 1 2 . 1 1 50 50 GLN H H 50 7.207 7.207 7.718 -0.511 19840 510 1 2 . 1 1 51 51 VAL N N 51 112.350 112.350 119.463 -7.113 19840 511 1 2 . 1 1 51 51 VAL HA H 51 4.430 4.430 4.398 0.032 19840 512 1 2 . 1 1 51 51 VAL CA C 51 59.441 59.441 60.047 -0.606 19840 513 1 2 . 1 1 51 51 VAL CB C 51 34.108 34.108 33.355 0.753 19840 514 1 2 . 1 1 51 51 VAL H H 51 7.575 7.575 8.342 -0.767 19840 515 1 2 . 1 1 52 52 PHE N N 52 119.853 119.853 121.677 -1.824 19840 516 1 2 . 1 1 52 52 PHE HA H 52 4.422 4.422 4.278 0.144 19840 517 1 2 . 1 1 52 52 PHE CA C 52 60.310 60.310 57.682 2.628 19840 518 1 2 . 1 1 52 52 PHE CB C 52 40.650 40.650 39.884 0.766 19840 519 1 2 . 1 1 52 52 PHE H H 52 8.221 8.221 8.365 -0.144 19840 520 1 2 . 1 1 53 53 ILE N N 53 116.505 116.505 120.912 -4.407 19840 521 1 2 . 1 1 53 53 ILE HA H 53 4.688 4.688 4.575 0.113 19840 522 1 2 . 1 1 53 53 ILE CA C 53 59.582 59.582 60.119 -0.537 19840 523 1 2 . 1 1 53 53 ILE CB C 53 41.131 41.131 40.838 0.293 19840 524 1 2 . 1 1 53 53 ILE H H 53 8.436 8.436 8.392 0.044 19840 525 1 2 . 1 1 54 54 ASN N N 54 113.329 113.329 119.351 -6.022 19840 526 1 2 . 1 1 54 54 ASN HA H 54 4.351 4.351 4.463 -0.112 19840 527 1 2 . 1 1 54 54 ASN CA C 54 54.129 54.129 53.860 0.269 19840 528 1 2 . 1 1 54 54 ASN CB C 54 37.453 37.453 37.315 0.138 19840 529 1 2 . 1 1 54 54 ASN H H 54 8.889 8.889 9.147 -0.258 19840 530 1 2 . 1 1 55 55 GLY N N 55 107.928 107.928 101.964 5.964 19840 531 1 2 . 1 1 55 55 GLY CA C 55 46.132 46.132 45.751 0.381 19840 532 1 2 . 1 1 55 55 GLY H H 55 8.911 8.911 8.574 0.337 19840 533 1 2 . 1 1 56 56 GLU N N 56 119.227 119.227 121.072 -1.845 19840 534 1 2 . 1 1 56 56 GLU HA H 56 4.590 4.590 4.213 0.377 19840 535 1 2 . 1 1 56 56 GLU CA C 56 55.616 55.616 56.908 -1.292 19840 536 1 2 . 1 1 56 56 GLU CB C 56 30.193 30.193 30.801 -0.608 19840 537 1 2 . 1 1 56 56 GLU H H 56 7.646 7.646 7.923 -0.277 19840 538 1 2 . 1 1 57 57 SER N N 57 109.621 109.621 115.306 -5.685 19840 539 1 2 . 1 1 57 57 SER HA H 57 2.577 2.577 3.835 -1.258 19840 540 1 2 . 1 1 57 57 SER CA C 57 57.073 57.073 56.683 0.390 19840 541 1 2 . 1 1 57 57 SER CB C 57 64.367 64.367 65.445 -1.078 19840 542 1 2 . 1 1 57 57 SER H H 57 7.939 7.939 8.214 -0.275 19840 543 1 2 . 1 1 58 58 VAL N N 58 115.887 115.887 119.955 -4.068 19840 544 1 2 . 1 1 58 58 VAL HA H 58 5.488 5.488 5.193 0.295 19840 545 1 2 . 1 1 58 58 VAL CA C 58 57.914 57.914 59.618 -1.704 19840 546 1 2 . 1 1 58 58 VAL CB C 58 34.794 34.794 35.537 -0.743 19840 547 1 2 . 1 1 58 58 VAL H H 58 7.721 7.721 8.220 -0.499 19840 548 1 2 . 1 1 59 59 GLN N N 59 126.845 126.845 123.263 3.582 19840 549 1 2 . 1 1 59 59 GLN HA H 59 4.669 4.669 4.690 -0.021 19840 550 1 2 . 1 1 59 59 GLN CA C 59 53.560 53.560 54.032 -0.472 19840 551 1 2 . 1 1 59 59 GLN CB C 59 33.889 33.889 33.312 0.577 19840 552 1 2 . 1 1 59 59 GLN H H 59 9.107 9.107 8.943 0.164 19840 553 1 2 . 1 1 60 60 SER N N 60 119.479 119.479 119.127 0.352 19840 554 1 2 . 1 1 60 60 SER HA H 60 4.768 4.768 4.933 -0.165 19840 555 1 2 . 1 1 60 60 SER CA C 60 58.438 58.438 57.954 0.484 19840 556 1 2 . 1 1 60 60 SER CB C 60 63.484 63.484 63.142 0.342 19840 557 1 2 . 1 1 60 60 SER H H 60 8.959 8.959 8.585 0.374 19840 558 1 2 . 1 1 61 61 GLY N N 61 113.757 113.757 111.058 2.699 19840 559 1 2 . 1 1 61 61 GLY CA C 61 44.893 44.893 45.438 -0.545 19840 560 1 2 . 1 1 61 61 GLY H H 61 8.287 8.287 8.366 -0.079 19840 561 1 2 . 1 1 62 62 GLY N N 62 108.329 108.329 107.264 1.065 19840 562 1 2 . 1 1 62 62 GLY CA C 62 43.932 43.932 44.329 -0.397 19840 563 1 2 . 1 1 62 62 GLY H H 62 7.868 7.868 7.430 0.438 19840 564 1 2 . 1 1 63 63 ARG N N 63 122.424 122.424 120.834 1.590 19840 565 1 2 . 1 1 63 63 ARG HA H 63 5.229 5.229 4.697 0.532 19840 566 1 2 . 1 1 63 63 ARG CA C 63 54.037 54.037 55.884 -1.847 19840 567 1 2 . 1 1 63 63 ARG CB C 63 31.849 31.849 31.485 0.364 19840 568 1 2 . 1 1 63 63 ARG H H 63 8.730 8.730 8.265 0.465 19840 569 1 3 . 1 1 2 2 CYS N N 2 119.737 119.737 117.725 2.012 19840 570 1 3 . 1 1 2 2 CYS HA H 2 5.082 5.082 5.594 -0.512 19840 571 1 3 . 1 1 2 2 CYS CA C 2 53.264 53.264 56.814 -3.550 19840 572 1 3 . 1 1 2 2 CYS CB C 2 39.218 39.218 31.370 7.848 19840 573 1 3 . 1 1 2 2 CYS H H 2 9.003 9.003 8.909 0.094 19840 574 1 3 . 1 1 3 3 VAL N N 3 126.716 126.716 120.265 6.451 19840 575 1 3 . 1 1 3 3 VAL HA H 3 4.177 4.177 4.459 -0.282 19840 576 1 3 . 1 1 3 3 VAL CA C 3 64.132 64.132 60.644 3.488 19840 577 1 3 . 1 1 3 3 VAL CB C 3 31.608 31.608 34.469 -2.861 19840 578 1 3 . 1 1 3 3 VAL H H 3 8.647 8.647 8.405 0.242 19840 579 1 3 . 1 1 4 4 ALA N N 4 134.327 134.327 129.252 5.075 19840 580 1 3 . 1 1 4 4 ALA HA H 4 4.773 4.773 4.691 0.082 19840 581 1 3 . 1 1 4 4 ALA CA C 4 49.964 49.964 50.546 -0.582 19840 582 1 3 . 1 1 4 4 ALA CB C 4 22.047 22.047 22.047 -0.000 19840 583 1 3 . 1 1 4 4 ALA H H 4 9.282 9.282 8.829 0.453 19840 584 1 3 . 1 1 5 5 ASN N N 5 119.560 119.560 121.313 -1.753 19840 585 1 3 . 1 1 5 5 ASN HA H 5 5.516 5.516 5.405 0.111 19840 586 1 3 . 1 1 5 5 ASN CA C 5 50.853 50.853 51.857 -1.004 19840 587 1 3 . 1 1 5 5 ASN CB C 5 40.194 40.194 42.553 -2.358 19840 588 1 3 . 1 1 5 5 ASN H H 5 8.760 8.760 8.649 0.111 19840 589 1 3 . 1 1 6 6 ILE N N 6 123.118 123.118 123.032 0.086 19840 590 1 3 . 1 1 6 6 ILE HA H 6 4.961 4.961 5.045 -0.084 19840 591 1 3 . 1 1 6 6 ILE CA C 6 57.398 57.398 59.483 -2.085 19840 592 1 3 . 1 1 6 6 ILE CB C 6 35.561 35.561 39.120 -3.559 19840 593 1 3 . 1 1 6 6 ILE H H 6 9.093 9.093 8.858 0.235 19840 594 1 3 . 1 1 7 7 LEU N N 7 128.607 128.607 125.984 2.623 19840 595 1 3 . 1 1 7 7 LEU HA H 7 5.399 5.399 5.045 0.354 19840 596 1 3 . 1 1 7 7 LEU CA C 7 52.382 52.382 53.432 -1.050 19840 597 1 3 . 1 1 7 7 LEU CB C 7 44.218 44.218 44.572 -0.353 19840 598 1 3 . 1 1 7 7 LEU H H 7 8.896 8.896 9.047 -0.151 19840 599 1 3 . 1 1 8 8 ASN N N 8 114.552 114.552 119.635 -5.083 19840 600 1 3 . 1 1 8 8 ASN HA H 8 4.847 4.847 4.856 -0.009 19840 601 1 3 . 1 1 8 8 ASN CA C 8 50.359 50.359 51.673 -1.314 19840 602 1 3 . 1 1 8 8 ASN CB C 8 39.476 39.476 39.085 0.391 19840 603 1 3 . 1 1 8 8 ASN H H 8 8.341 8.341 8.499 -0.158 19840 604 1 3 . 1 1 9 9 ILE N N 9 120.261 120.261 119.122 1.139 19840 605 1 3 . 1 1 9 9 ILE HA H 9 4.013 4.013 4.053 -0.040 19840 606 1 3 . 1 1 9 9 ILE CA C 9 63.509 63.509 63.262 0.247 19840 607 1 3 . 1 1 9 9 ILE CB C 9 38.538 38.538 38.218 0.320 19840 608 1 3 . 1 1 9 9 ILE H H 9 8.713 8.713 8.526 0.187 19840 609 1 3 . 1 1 10 10 ASN N N 10 117.798 117.798 116.354 1.444 19840 610 1 3 . 1 1 10 10 ASN HA H 10 4.897 4.897 4.745 0.152 19840 611 1 3 . 1 1 10 10 ASN CA C 10 52.939 52.939 53.027 -0.088 19840 612 1 3 . 1 1 10 10 ASN CB C 10 38.741 38.741 39.035 -0.294 19840 613 1 3 . 1 1 10 10 ASN H H 10 7.242 7.242 8.007 -0.765 19840 614 1 3 . 1 1 11 11 GLU N N 11 112.166 112.166 114.792 -2.626 19840 615 1 3 . 1 1 11 11 GLU HA H 11 3.548 3.548 3.847 -0.299 19840 616 1 3 . 1 1 11 11 GLU CA C 11 58.111 58.111 57.502 0.609 19840 617 1 3 . 1 1 11 11 GLU CB C 11 25.932 25.932 27.116 -1.185 19840 618 1 3 . 1 1 11 11 GLU H H 11 8.242 8.242 8.144 0.098 19840 619 1 3 . 1 1 12 12 ALA N N 12 121.641 121.641 121.220 0.421 19840 620 1 3 . 1 1 12 12 ALA HA H 12 4.502 4.502 4.580 -0.078 19840 621 1 3 . 1 1 12 12 ALA CA C 12 50.413 50.413 50.727 -0.314 19840 622 1 3 . 1 1 12 12 ALA CB C 12 19.623 19.623 20.547 -0.924 19840 623 1 3 . 1 1 12 12 ALA H H 12 7.798 7.798 8.666 -0.868 19840 624 1 3 . 1 1 13 13 VAL N N 13 121.315 121.315 126.538 -5.223 19840 625 1 3 . 1 1 13 13 VAL HA H 13 4.076 4.076 4.002 0.074 19840 626 1 3 . 1 1 13 13 VAL CA C 13 63.484 63.484 64.019 -0.535 19840 627 1 3 . 1 1 13 13 VAL CB C 13 31.277 31.277 30.879 0.398 19840 628 1 3 . 1 1 13 13 VAL H H 13 8.512 8.512 8.826 -0.314 19840 629 1 3 . 1 1 14 14 ILE N N 14 121.921 121.921 123.480 -1.559 19840 630 1 3 . 1 1 14 14 ILE HA H 14 4.635 4.635 4.554 0.081 19840 631 1 3 . 1 1 14 14 ILE CA C 14 61.188 61.188 60.993 0.195 19840 632 1 3 . 1 1 14 14 ILE CB C 14 39.644 39.644 38.558 1.086 19840 633 1 3 . 1 1 14 14 ILE H H 14 9.293 9.293 9.008 0.285 19840 634 1 3 . 1 1 15 15 ALA N N 15 123.193 123.193 121.158 2.035 19840 635 1 3 . 1 1 15 15 ALA HA H 15 4.624 4.624 4.845 -0.221 19840 636 1 3 . 1 1 15 15 ALA CA C 15 52.546 52.546 51.326 1.220 19840 637 1 3 . 1 1 15 15 ALA CB C 15 22.693 22.693 22.234 0.459 19840 638 1 3 . 1 1 15 15 ALA H H 15 7.941 7.941 7.849 0.092 19840 639 1 3 . 1 1 16 16 THR N N 16 114.723 114.723 114.650 0.073 19840 640 1 3 . 1 1 16 16 THR HA H 16 5.738 5.738 5.343 0.395 19840 641 1 3 . 1 1 16 16 THR CA C 16 60.046 60.046 60.647 -0.601 19840 642 1 3 . 1 1 16 16 THR CB C 16 70.929 70.929 70.680 0.250 19840 643 1 3 . 1 1 16 16 THR H H 16 8.582 8.582 8.616 -0.034 19840 644 1 3 . 1 1 17 17 GLY N N 17 111.166 111.166 110.190 0.976 19840 645 1 3 . 1 1 17 17 GLY CA C 17 45.095 45.095 45.137 -0.042 19840 646 1 3 . 1 1 17 17 GLY H H 17 8.576 8.576 8.372 0.204 19840 647 1 3 . 1 1 18 18 CYS N N 18 121.493 121.493 120.123 1.370 19840 648 1 3 . 1 1 18 18 CYS HA H 18 4.930 4.930 4.947 -0.017 19840 649 1 3 . 1 1 18 18 CYS CA C 18 53.999 53.999 57.955 -3.956 19840 650 1 3 . 1 1 18 18 CYS CB C 18 39.899 39.899 28.078 11.822 19840 651 1 3 . 1 1 18 18 CYS H H 18 8.622 8.622 8.530 0.092 19840 652 1 3 . 1 1 19 19 VAL N N 19 131.185 131.185 128.293 2.892 19840 653 1 3 . 1 1 19 19 VAL HA H 19 4.019 4.019 4.594 -0.575 19840 654 1 3 . 1 1 19 19 VAL CA C 19 59.537 59.537 59.449 0.088 19840 655 1 3 . 1 1 19 19 VAL CB C 19 33.825 33.825 35.012 -1.187 19840 656 1 3 . 1 1 19 19 VAL H H 19 9.414 9.414 9.095 0.319 19840 657 1 3 . 1 1 20 20 PRO HA H 20 4.012 4.012 4.443 -0.431 19840 658 1 3 . 1 1 20 20 PRO CA C 20 62.492 62.492 62.557 -0.065 19840 659 1 3 . 1 1 20 20 PRO CB C 20 31.931 31.931 32.319 -0.388 19840 660 1 3 . 1 1 21 21 ALA N N 21 127.518 127.518 120.955 6.563 19840 661 1 3 . 1 1 21 21 ALA HA H 21 3.907 3.907 4.123 -0.216 19840 662 1 3 . 1 1 21 21 ALA CA C 21 53.558 53.558 52.301 1.256 19840 663 1 3 . 1 1 21 21 ALA CB C 21 17.717 17.717 18.532 -0.815 19840 664 1 3 . 1 1 21 21 ALA H H 21 8.147 8.147 8.105 0.042 19840 665 1 3 . 1 1 22 22 GLY N N 22 114.819 114.819 113.031 1.788 19840 666 1 3 . 1 1 22 22 GLY CA C 22 46.038 46.038 45.296 0.742 19840 667 1 3 . 1 1 22 22 GLY H H 22 7.292 7.292 8.181 -0.889 19840 668 1 3 . 1 1 23 23 GLY N N 23 111.300 111.300 108.248 3.052 19840 669 1 3 . 1 1 23 23 GLY CA C 23 44.366 44.366 44.404 -0.038 19840 670 1 3 . 1 1 23 23 GLY H H 23 8.204 8.204 7.651 0.553 19840 671 1 3 . 1 1 24 24 GLU N N 24 116.771 116.771 118.334 -1.563 19840 672 1 3 . 1 1 24 24 GLU HA H 24 5.594 5.594 4.961 0.633 19840 673 1 3 . 1 1 24 24 GLU CA C 24 53.749 53.749 55.812 -2.063 19840 674 1 3 . 1 1 24 24 GLU CB C 24 35.193 35.193 32.865 2.328 19840 675 1 3 . 1 1 24 24 GLU H H 24 8.131 8.131 8.289 -0.158 19840 676 1 3 . 1 1 25 25 LEU N N 25 121.029 121.029 122.476 -1.447 19840 677 1 3 . 1 1 25 25 LEU HA H 25 4.465 4.465 4.683 -0.218 19840 678 1 3 . 1 1 25 25 LEU CA C 25 54.586 54.586 54.014 0.572 19840 679 1 3 . 1 1 25 25 LEU CB C 25 49.054 49.054 46.824 2.230 19840 680 1 3 . 1 1 25 25 LEU H H 25 8.899 8.899 8.891 0.008 19840 681 1 3 . 1 1 26 26 ARG N N 26 128.131 128.131 124.423 3.708 19840 682 1 3 . 1 1 26 26 ARG HA H 26 4.864 4.864 4.539 0.325 19840 683 1 3 . 1 1 26 26 ARG CA C 26 55.359 55.359 55.862 -0.503 19840 684 1 3 . 1 1 26 26 ARG CB C 26 29.623 29.623 30.486 -0.864 19840 685 1 3 . 1 1 26 26 ARG H H 26 8.604 8.604 8.493 0.111 19840 686 1 3 . 1 1 27 27 ILE N N 27 129.246 129.246 126.231 3.015 19840 687 1 3 . 1 1 27 27 ILE HA H 27 4.202 4.202 3.877 0.325 19840 688 1 3 . 1 1 27 27 ILE CA C 27 60.765 60.765 59.893 0.872 19840 689 1 3 . 1 1 27 27 ILE CB C 27 40.383 40.383 40.495 -0.112 19840 690 1 3 . 1 1 27 27 ILE H H 27 9.029 9.029 8.484 0.545 19840 691 1 3 . 1 1 28 28 PHE N N 28 127.383 127.383 124.279 3.104 19840 692 1 3 . 1 1 28 28 PHE HA H 28 3.968 3.968 4.910 -0.942 19840 693 1 3 . 1 1 28 28 PHE CA C 28 58.921 58.921 56.230 2.691 19840 694 1 3 . 1 1 28 28 PHE CB C 28 39.444 39.444 38.474 0.970 19840 695 1 3 . 1 1 28 28 PHE H H 28 8.885 8.885 8.147 0.738 19840 696 1 3 . 1 1 29 29 VAL N N 29 124.164 124.164 124.916 -0.752 19840 697 1 3 . 1 1 29 29 VAL HA H 29 3.887 3.887 4.234 -0.347 19840 698 1 3 . 1 1 29 29 VAL CA C 29 61.099 61.099 62.019 -0.920 19840 699 1 3 . 1 1 29 29 VAL CB C 29 30.194 30.194 32.473 -2.279 19840 700 1 3 . 1 1 29 29 VAL H H 29 8.396 8.396 8.333 0.063 19840 701 1 3 . 1 1 30 30 GLY N N 30 113.336 113.336 116.349 -3.013 19840 702 1 3 . 1 1 30 30 GLY CA C 30 46.252 46.252 45.429 0.823 19840 703 1 3 . 1 1 30 30 GLY H H 30 8.376 8.376 8.535 -0.159 19840 704 1 3 . 1 1 31 31 SER H H 31 8.290 8.290 8.840 -0.550 19840 705 1 3 . 1 1 32 32 SER N N 32 114.602 114.602 116.942 -2.340 19840 706 1 3 . 1 1 32 32 SER HA H 32 4.572 4.572 4.663 -0.091 19840 707 1 3 . 1 1 32 32 SER CA C 32 59.632 59.632 58.666 0.966 19840 708 1 3 . 1 1 32 32 SER CB C 32 64.882 64.882 63.992 0.890 19840 709 1 3 . 1 1 32 32 SER H H 32 8.344 8.344 8.308 0.036 19840 710 1 3 . 1 1 33 33 HIS N N 33 114.790 114.790 119.599 -4.809 19840 711 1 3 . 1 1 33 33 HIS HA H 33 4.881 4.881 4.722 0.159 19840 712 1 3 . 1 1 33 33 HIS CA C 33 55.139 55.139 55.631 -0.492 19840 713 1 3 . 1 1 33 33 HIS CB C 33 29.454 29.454 33.102 -3.648 19840 714 1 3 . 1 1 33 33 HIS H H 33 7.586 7.586 7.933 -0.347 19840 715 1 3 . 1 1 34 34 SER N N 34 112.452 112.452 115.372 -2.920 19840 716 1 3 . 1 1 34 34 SER HA H 34 4.651 4.651 5.115 -0.464 19840 717 1 3 . 1 1 34 34 SER CA C 34 56.296 56.296 57.639 -1.343 19840 718 1 3 . 1 1 34 34 SER CB C 34 66.406 66.406 66.148 0.258 19840 719 1 3 . 1 1 34 34 SER H H 34 8.169 8.169 8.212 -0.043 19840 720 1 3 . 1 1 35 35 TYR N N 35 116.118 116.118 119.976 -3.858 19840 721 1 3 . 1 1 35 35 TYR HA H 35 5.047 5.047 4.631 0.416 19840 722 1 3 . 1 1 35 35 TYR CA C 35 55.601 55.601 57.470 -1.869 19840 723 1 3 . 1 1 35 35 TYR CB C 35 43.070 43.070 42.514 0.556 19840 724 1 3 . 1 1 35 35 TYR H H 35 8.493 8.493 8.855 -0.362 19840 725 1 3 . 1 1 36 36 LEU N N 36 125.430 125.430 125.562 -0.132 19840 726 1 3 . 1 1 36 36 LEU HA H 36 4.565 4.565 4.731 -0.166 19840 727 1 3 . 1 1 36 36 LEU CA C 36 53.796 53.796 54.639 -0.843 19840 728 1 3 . 1 1 36 36 LEU CB C 36 41.810 41.810 43.296 -1.486 19840 729 1 3 . 1 1 36 36 LEU H H 36 8.476 8.476 8.990 -0.514 19840 730 1 3 . 1 1 37 37 ILE N N 37 129.763 129.763 127.069 2.694 19840 731 1 3 . 1 1 37 37 ILE HA H 37 4.607 4.607 4.672 -0.065 19840 732 1 3 . 1 1 37 37 ILE CA C 37 57.337 57.337 58.339 -1.002 19840 733 1 3 . 1 1 37 37 ILE CB C 37 37.601 37.601 39.061 -1.460 19840 734 1 3 . 1 1 37 37 ILE H H 37 8.512 8.512 9.024 -0.512 19840 735 1 3 . 1 1 38 38 LYS N N 38 125.927 125.927 126.674 -0.747 19840 736 1 3 . 1 1 38 38 LYS HA H 38 4.958 4.958 5.023 -0.065 19840 737 1 3 . 1 1 38 38 LYS CA C 38 54.054 54.054 54.273 -0.219 19840 738 1 3 . 1 1 38 38 LYS CB C 38 34.807 34.807 34.049 0.758 19840 739 1 3 . 1 1 38 38 LYS H H 38 8.849 8.849 9.200 -0.351 19840 740 1 3 . 1 1 39 39 ALA N N 39 124.260 124.260 127.958 -3.698 19840 741 1 3 . 1 1 39 39 ALA HA H 39 5.671 5.671 5.344 0.327 19840 742 1 3 . 1 1 39 39 ALA CA C 39 49.202 49.202 50.084 -0.882 19840 743 1 3 . 1 1 39 39 ALA CB C 39 23.170 23.170 20.837 2.333 19840 744 1 3 . 1 1 39 39 ALA H H 39 8.498 8.498 8.539 -0.041 19840 745 1 3 . 1 1 40 40 THR N N 40 112.492 112.492 117.710 -5.218 19840 746 1 3 . 1 1 40 40 THR HA H 40 4.651 4.651 4.448 0.203 19840 747 1 3 . 1 1 40 40 THR CA C 40 60.482 60.482 60.681 -0.199 19840 748 1 3 . 1 1 40 40 THR CB C 40 71.335 71.335 70.055 1.280 19840 749 1 3 . 1 1 40 40 THR H H 40 8.996 8.996 8.264 0.732 19840 750 1 3 . 1 1 41 41 SER H H 41 8.288 8.288 8.660 -0.372 19840 751 1 3 . 1 1 42 42 SER N N 42 113.261 113.261 114.049 -0.788 19840 752 1 3 . 1 1 42 42 SER HA H 42 4.636 4.636 4.534 0.102 19840 753 1 3 . 1 1 42 42 SER CA C 42 57.101 57.101 58.426 -1.325 19840 754 1 3 . 1 1 42 42 SER CB C 42 62.842 62.842 63.327 -0.485 19840 755 1 3 . 1 1 42 42 SER H H 42 7.629 7.629 7.978 -0.349 19840 756 1 3 . 1 1 43 43 CYS N N 43 111.527 111.527 117.775 -6.248 19840 757 1 3 . 1 1 43 43 CYS HA H 43 4.311 4.311 4.204 0.107 19840 758 1 3 . 1 1 43 43 CYS CA C 43 54.093 54.093 59.504 -5.411 19840 759 1 3 . 1 1 43 43 CYS CB C 43 32.030 32.030 25.439 6.591 19840 760 1 3 . 1 1 43 43 CYS H H 43 8.008 8.008 8.135 -0.127 19840 761 1 3 . 1 1 44 44 GLY N N 44 107.262 107.262 106.653 0.609 19840 762 1 3 . 1 1 44 44 GLY CA C 44 45.585 45.585 44.721 0.863 19840 763 1 3 . 1 1 44 44 GLY H H 44 8.222 8.222 7.961 0.261 19840 764 1 3 . 1 1 45 45 LEU N N 45 127.185 127.185 125.335 1.850 19840 765 1 3 . 1 1 45 45 LEU HA H 45 5.586 5.586 5.437 0.149 19840 766 1 3 . 1 1 45 45 LEU CA C 45 53.741 53.741 54.479 -0.738 19840 767 1 3 . 1 1 45 45 LEU CB C 45 44.311 44.311 43.409 0.902 19840 768 1 3 . 1 1 45 45 LEU H H 45 8.684 8.684 8.647 0.037 19840 769 1 3 . 1 1 46 46 SER N N 46 114.241 114.241 116.153 -1.912 19840 770 1 3 . 1 1 46 46 SER HA H 46 4.595 4.595 4.625 -0.030 19840 771 1 3 . 1 1 46 46 SER CA C 46 57.466 57.466 57.657 -0.191 19840 772 1 3 . 1 1 46 46 SER CB C 46 65.844 65.844 65.375 0.469 19840 773 1 3 . 1 1 46 46 SER H H 46 8.856 8.856 8.089 0.767 19840 774 1 3 . 1 1 47 47 LEU N N 47 120.302 120.302 121.948 -1.646 19840 775 1 3 . 1 1 47 47 LEU HA H 47 4.756 4.756 4.882 -0.126 19840 776 1 3 . 1 1 47 47 LEU CA C 47 53.725 53.725 54.265 -0.540 19840 777 1 3 . 1 1 47 47 LEU CB C 47 43.078 43.078 43.995 -0.917 19840 778 1 3 . 1 1 47 47 LEU H H 47 8.482 8.482 8.543 -0.061 19840 779 1 3 . 1 1 48 48 THR N N 48 119.533 119.533 116.229 3.304 19840 780 1 3 . 1 1 48 48 THR HA H 48 4.211 4.211 4.386 -0.175 19840 781 1 3 . 1 1 48 48 THR CA C 48 63.095 63.095 61.231 1.864 19840 782 1 3 . 1 1 48 48 THR CB C 48 69.170 69.170 68.641 0.529 19840 783 1 3 . 1 1 48 48 THR H H 48 8.472 8.472 8.611 -0.139 19840 784 1 3 . 1 1 49 49 ASN N N 49 120.348 120.348 122.742 -2.394 19840 785 1 3 . 1 1 49 49 ASN HA H 49 4.511 4.511 4.426 0.085 19840 786 1 3 . 1 1 49 49 ASN CA C 49 53.577 53.577 54.954 -1.377 19840 787 1 3 . 1 1 49 49 ASN CB C 49 37.381 37.381 38.087 -0.706 19840 788 1 3 . 1 1 49 49 ASN H H 49 8.967 8.967 8.820 0.147 19840 789 1 3 . 1 1 50 50 GLN N N 50 114.907 114.907 116.241 -1.334 19840 790 1 3 . 1 1 50 50 GLN HA H 50 4.672 4.672 4.484 0.188 19840 791 1 3 . 1 1 50 50 GLN CA C 50 54.515 54.515 54.732 -0.217 19840 792 1 3 . 1 1 50 50 GLN CB C 50 34.947 34.947 32.032 2.915 19840 793 1 3 . 1 1 50 50 GLN H H 50 7.207 7.207 8.001 -0.794 19840 794 1 3 . 1 1 51 51 VAL N N 51 112.350 112.350 114.864 -2.514 19840 795 1 3 . 1 1 51 51 VAL HA H 51 4.430 4.430 4.367 0.063 19840 796 1 3 . 1 1 51 51 VAL CA C 51 59.441 59.441 59.951 -0.510 19840 797 1 3 . 1 1 51 51 VAL CB C 51 34.108 34.108 34.103 0.005 19840 798 1 3 . 1 1 51 51 VAL H H 51 7.575 7.575 8.060 -0.485 19840 799 1 3 . 1 1 52 52 PHE N N 52 119.853 119.853 119.520 0.333 19840 800 1 3 . 1 1 52 52 PHE HA H 52 4.422 4.422 4.534 -0.112 19840 801 1 3 . 1 1 52 52 PHE CA C 52 60.310 60.310 57.535 2.775 19840 802 1 3 . 1 1 52 52 PHE CB C 52 40.650 40.650 41.259 -0.609 19840 803 1 3 . 1 1 52 52 PHE H H 52 8.221 8.221 8.201 0.020 19840 804 1 3 . 1 1 53 53 ILE N N 53 116.505 116.505 117.817 -1.312 19840 805 1 3 . 1 1 53 53 ILE HA H 53 4.688 4.688 4.571 0.117 19840 806 1 3 . 1 1 53 53 ILE CA C 53 59.582 59.582 60.404 -0.822 19840 807 1 3 . 1 1 53 53 ILE CB C 53 41.131 41.131 41.454 -0.323 19840 808 1 3 . 1 1 53 53 ILE H H 53 8.436 8.436 8.243 0.193 19840 809 1 3 . 1 1 54 54 ASN N N 54 113.329 113.329 119.156 -5.827 19840 810 1 3 . 1 1 54 54 ASN HA H 54 4.351 4.351 4.485 -0.134 19840 811 1 3 . 1 1 54 54 ASN CA C 54 54.129 54.129 53.830 0.299 19840 812 1 3 . 1 1 54 54 ASN CB C 54 37.453 37.453 37.074 0.379 19840 813 1 3 . 1 1 54 54 ASN H H 54 8.889 8.889 9.086 -0.197 19840 814 1 3 . 1 1 55 55 GLY N N 55 107.928 107.928 102.051 5.877 19840 815 1 3 . 1 1 55 55 GLY CA C 55 46.132 46.132 45.652 0.480 19840 816 1 3 . 1 1 55 55 GLY H H 55 8.911 8.911 8.472 0.439 19840 817 1 3 . 1 1 56 56 GLU N N 56 119.227 119.227 120.899 -1.672 19840 818 1 3 . 1 1 56 56 GLU HA H 56 4.590 4.590 4.587 0.003 19840 819 1 3 . 1 1 56 56 GLU CA C 56 55.616 55.616 56.769 -1.153 19840 820 1 3 . 1 1 56 56 GLU CB C 56 30.193 30.193 31.108 -0.915 19840 821 1 3 . 1 1 56 56 GLU H H 56 7.646 7.646 7.975 -0.329 19840 822 1 3 . 1 1 57 57 SER N N 57 109.621 109.621 115.257 -5.636 19840 823 1 3 . 1 1 57 57 SER HA H 57 2.577 2.577 4.339 -1.762 19840 824 1 3 . 1 1 57 57 SER CA C 57 57.073 57.073 56.682 0.391 19840 825 1 3 . 1 1 57 57 SER CB C 57 64.367 64.367 65.926 -1.559 19840 826 1 3 . 1 1 57 57 SER H H 57 7.939 7.939 8.324 -0.385 19840 827 1 3 . 1 1 58 58 VAL N N 58 115.887 115.887 114.829 1.058 19840 828 1 3 . 1 1 58 58 VAL HA H 58 5.488 5.488 5.220 0.268 19840 829 1 3 . 1 1 58 58 VAL CA C 58 57.914 57.914 59.753 -1.839 19840 830 1 3 . 1 1 58 58 VAL CB C 58 34.794 34.794 34.746 0.048 19840 831 1 3 . 1 1 58 58 VAL H H 58 7.721 7.721 8.031 -0.310 19840 832 1 3 . 1 1 59 59 GLN N N 59 126.845 126.845 123.784 3.061 19840 833 1 3 . 1 1 59 59 GLN HA H 59 4.669 4.669 4.667 0.002 19840 834 1 3 . 1 1 59 59 GLN CA C 59 53.560 53.560 54.195 -0.635 19840 835 1 3 . 1 1 59 59 GLN CB C 59 33.889 33.889 33.745 0.144 19840 836 1 3 . 1 1 59 59 GLN H H 59 9.107 9.107 8.878 0.229 19840 837 1 3 . 1 1 60 60 SER N N 60 119.479 119.479 120.352 -0.873 19840 838 1 3 . 1 1 60 60 SER HA H 60 4.768 4.768 4.878 -0.110 19840 839 1 3 . 1 1 60 60 SER CA C 60 58.438 58.438 58.248 0.190 19840 840 1 3 . 1 1 60 60 SER CB C 60 63.484 63.484 63.075 0.409 19840 841 1 3 . 1 1 60 60 SER H H 60 8.959 8.959 8.782 0.177 19840 842 1 3 . 1 1 61 61 GLY N N 61 113.757 113.757 110.966 2.791 19840 843 1 3 . 1 1 61 61 GLY CA C 61 44.893 44.893 45.562 -0.669 19840 844 1 3 . 1 1 61 61 GLY H H 61 8.287 8.287 8.305 -0.018 19840 845 1 3 . 1 1 62 62 GLY N N 62 108.329 108.329 107.213 1.116 19840 846 1 3 . 1 1 62 62 GLY CA C 62 43.932 43.932 44.487 -0.555 19840 847 1 3 . 1 1 62 62 GLY H H 62 7.868 7.868 7.427 0.441 19840 848 1 3 . 1 1 63 63 ARG N N 63 122.424 122.424 121.374 1.050 19840 849 1 3 . 1 1 63 63 ARG HA H 63 5.229 5.229 4.886 0.343 19840 850 1 3 . 1 1 63 63 ARG CA C 63 54.037 54.037 54.717 -0.680 19840 851 1 3 . 1 1 63 63 ARG CB C 63 31.849 31.849 31.721 0.128 19840 852 1 3 . 1 1 63 63 ARG H H 63 8.730 8.730 8.274 0.456 19840 853 1 4 . 1 1 2 2 CYS N N 2 119.737 119.737 117.678 2.059 19840 854 1 4 . 1 1 2 2 CYS HA H 2 5.082 5.082 5.361 -0.279 19840 855 1 4 . 1 1 2 2 CYS CA C 2 53.264 53.264 57.682 -4.418 19840 856 1 4 . 1 1 2 2 CYS CB C 2 39.218 39.218 31.879 7.339 19840 857 1 4 . 1 1 2 2 CYS H H 2 9.003 9.003 9.137 -0.134 19840 858 1 4 . 1 1 3 3 VAL N N 3 126.716 126.716 120.409 6.307 19840 859 1 4 . 1 1 3 3 VAL HA H 3 4.177 4.177 4.291 -0.114 19840 860 1 4 . 1 1 3 3 VAL CA C 3 64.132 64.132 61.380 2.752 19840 861 1 4 . 1 1 3 3 VAL CB C 3 31.608 31.608 34.779 -3.171 19840 862 1 4 . 1 1 3 3 VAL H H 3 8.647 8.647 8.432 0.215 19840 863 1 4 . 1 1 4 4 ALA N N 4 134.327 134.327 129.203 5.124 19840 864 1 4 . 1 1 4 4 ALA HA H 4 4.773 4.773 4.778 -0.005 19840 865 1 4 . 1 1 4 4 ALA CA C 4 49.964 49.964 50.351 -0.387 19840 866 1 4 . 1 1 4 4 ALA CB C 4 22.047 22.047 22.020 0.027 19840 867 1 4 . 1 1 4 4 ALA H H 4 9.282 9.282 9.121 0.161 19840 868 1 4 . 1 1 5 5 ASN N N 5 119.560 119.560 119.971 -0.411 19840 869 1 4 . 1 1 5 5 ASN HA H 5 5.516 5.516 5.311 0.205 19840 870 1 4 . 1 1 5 5 ASN CA C 5 50.853 50.853 51.922 -1.069 19840 871 1 4 . 1 1 5 5 ASN CB C 5 40.194 40.194 43.349 -3.155 19840 872 1 4 . 1 1 5 5 ASN H H 5 8.760 8.760 8.590 0.170 19840 873 1 4 . 1 1 6 6 ILE N N 6 123.118 123.118 121.914 1.204 19840 874 1 4 . 1 1 6 6 ILE HA H 6 4.961 4.961 5.077 -0.116 19840 875 1 4 . 1 1 6 6 ILE CA C 6 57.398 57.398 59.486 -2.088 19840 876 1 4 . 1 1 6 6 ILE CB C 6 35.561 35.561 39.432 -3.871 19840 877 1 4 . 1 1 6 6 ILE H H 6 9.093 9.093 8.571 0.522 19840 878 1 4 . 1 1 7 7 LEU N N 7 128.607 128.607 125.443 3.164 19840 879 1 4 . 1 1 7 7 LEU HA H 7 5.399 5.399 4.937 0.462 19840 880 1 4 . 1 1 7 7 LEU CA C 7 52.382 52.382 53.549 -1.167 19840 881 1 4 . 1 1 7 7 LEU CB C 7 44.218 44.218 44.753 -0.535 19840 882 1 4 . 1 1 7 7 LEU H H 7 8.896 8.896 9.031 -0.135 19840 883 1 4 . 1 1 8 8 ASN N N 8 114.552 114.552 118.664 -4.112 19840 884 1 4 . 1 1 8 8 ASN HA H 8 4.847 4.847 4.916 -0.069 19840 885 1 4 . 1 1 8 8 ASN CA C 8 50.359 50.359 52.317 -1.958 19840 886 1 4 . 1 1 8 8 ASN CB C 8 39.476 39.476 39.575 -0.099 19840 887 1 4 . 1 1 8 8 ASN H H 8 8.341 8.341 8.357 -0.016 19840 888 1 4 . 1 1 9 9 ILE N N 9 120.261 120.261 120.378 -0.117 19840 889 1 4 . 1 1 9 9 ILE HA H 9 4.013 4.013 4.027 -0.014 19840 890 1 4 . 1 1 9 9 ILE CA C 9 63.509 63.509 63.878 -0.369 19840 891 1 4 . 1 1 9 9 ILE CB C 9 38.538 38.538 38.265 0.273 19840 892 1 4 . 1 1 9 9 ILE H H 9 8.713 8.713 8.734 -0.021 19840 893 1 4 . 1 1 10 10 ASN N N 10 117.798 117.798 115.941 1.857 19840 894 1 4 . 1 1 10 10 ASN HA H 10 4.897 4.897 4.775 0.122 19840 895 1 4 . 1 1 10 10 ASN CA C 10 52.939 52.939 53.034 -0.095 19840 896 1 4 . 1 1 10 10 ASN CB C 10 38.741 38.741 38.556 0.185 19840 897 1 4 . 1 1 10 10 ASN H H 10 7.242 7.242 7.946 -0.704 19840 898 1 4 . 1 1 11 11 GLU N N 11 112.166 112.166 116.139 -3.973 19840 899 1 4 . 1 1 11 11 GLU HA H 11 3.548 3.548 3.940 -0.392 19840 900 1 4 . 1 1 11 11 GLU CA C 11 58.111 58.111 57.165 0.946 19840 901 1 4 . 1 1 11 11 GLU CB C 11 25.932 25.932 27.623 -1.691 19840 902 1 4 . 1 1 11 11 GLU H H 11 8.242 8.242 8.022 0.220 19840 903 1 4 . 1 1 12 12 ALA N N 12 121.641 121.641 121.317 0.324 19840 904 1 4 . 1 1 12 12 ALA HA H 12 4.502 4.502 4.501 0.001 19840 905 1 4 . 1 1 12 12 ALA CA C 12 50.413 50.413 50.833 -0.420 19840 906 1 4 . 1 1 12 12 ALA CB C 12 19.623 19.623 20.021 -0.398 19840 907 1 4 . 1 1 12 12 ALA H H 12 7.798 7.798 7.922 -0.124 19840 908 1 4 . 1 1 13 13 VAL N N 13 121.315 121.315 127.113 -5.798 19840 909 1 4 . 1 1 13 13 VAL HA H 13 4.076 4.076 4.015 0.061 19840 910 1 4 . 1 1 13 13 VAL CA C 13 63.484 63.484 63.919 -0.435 19840 911 1 4 . 1 1 13 13 VAL CB C 13 31.277 31.277 30.824 0.453 19840 912 1 4 . 1 1 13 13 VAL H H 13 8.512 8.512 8.847 -0.335 19840 913 1 4 . 1 1 14 14 ILE N N 14 121.921 121.921 123.285 -1.364 19840 914 1 4 . 1 1 14 14 ILE HA H 14 4.635 4.635 4.517 0.118 19840 915 1 4 . 1 1 14 14 ILE CA C 14 61.188 61.188 61.029 0.159 19840 916 1 4 . 1 1 14 14 ILE CB C 14 39.644 39.644 38.521 1.123 19840 917 1 4 . 1 1 14 14 ILE H H 14 9.293 9.293 8.939 0.354 19840 918 1 4 . 1 1 15 15 ALA N N 15 123.193 123.193 122.122 1.071 19840 919 1 4 . 1 1 15 15 ALA HA H 15 4.624 4.624 4.928 -0.304 19840 920 1 4 . 1 1 15 15 ALA CA C 15 52.546 52.546 51.260 1.286 19840 921 1 4 . 1 1 15 15 ALA CB C 15 22.693 22.693 22.206 0.487 19840 922 1 4 . 1 1 15 15 ALA H H 15 7.941 7.941 7.730 0.211 19840 923 1 4 . 1 1 16 16 THR N N 16 114.723 114.723 111.581 3.142 19840 924 1 4 . 1 1 16 16 THR HA H 16 5.738 5.738 5.513 0.225 19840 925 1 4 . 1 1 16 16 THR CA C 16 60.046 60.046 60.584 -0.538 19840 926 1 4 . 1 1 16 16 THR CB C 16 70.929 70.929 72.271 -1.342 19840 927 1 4 . 1 1 16 16 THR H H 16 8.582 8.582 8.543 0.039 19840 928 1 4 . 1 1 17 17 GLY N N 17 111.166 111.166 109.706 1.460 19840 929 1 4 . 1 1 17 17 GLY CA C 17 45.095 45.095 45.035 0.060 19840 930 1 4 . 1 1 17 17 GLY H H 17 8.576 8.576 8.506 0.070 19840 931 1 4 . 1 1 18 18 CYS N N 18 121.493 121.493 120.182 1.311 19840 932 1 4 . 1 1 18 18 CYS HA H 18 4.930 4.930 4.902 0.028 19840 933 1 4 . 1 1 18 18 CYS CA C 18 53.999 53.999 56.753 -2.754 19840 934 1 4 . 1 1 18 18 CYS CB C 18 39.899 39.899 28.349 11.550 19840 935 1 4 . 1 1 18 18 CYS H H 18 8.622 8.622 8.478 0.144 19840 936 1 4 . 1 1 19 19 VAL N N 19 131.185 131.185 127.648 3.537 19840 937 1 4 . 1 1 19 19 VAL HA H 19 4.019 4.019 4.625 -0.606 19840 938 1 4 . 1 1 19 19 VAL CA C 19 59.537 59.537 58.770 0.767 19840 939 1 4 . 1 1 19 19 VAL CB C 19 33.825 33.825 35.020 -1.195 19840 940 1 4 . 1 1 19 19 VAL H H 19 9.414 9.414 9.098 0.316 19840 941 1 4 . 1 1 20 20 PRO HA H 20 4.012 4.012 4.454 -0.442 19840 942 1 4 . 1 1 20 20 PRO CA C 20 62.492 62.492 62.050 0.442 19840 943 1 4 . 1 1 20 20 PRO CB C 20 31.931 31.931 32.272 -0.341 19840 944 1 4 . 1 1 21 21 ALA N N 21 127.518 127.518 121.871 5.647 19840 945 1 4 . 1 1 21 21 ALA HA H 21 3.907 3.907 4.127 -0.220 19840 946 1 4 . 1 1 21 21 ALA CA C 21 53.558 53.558 51.973 1.585 19840 947 1 4 . 1 1 21 21 ALA CB C 21 17.717 17.717 18.695 -0.978 19840 948 1 4 . 1 1 21 21 ALA H H 21 8.147 8.147 8.296 -0.149 19840 949 1 4 . 1 1 22 22 GLY N N 22 114.819 114.819 112.670 2.149 19840 950 1 4 . 1 1 22 22 GLY CA C 22 46.038 46.038 45.182 0.855 19840 951 1 4 . 1 1 22 22 GLY H H 22 7.292 7.292 8.147 -0.855 19840 952 1 4 . 1 1 23 23 GLY N N 23 111.300 111.300 107.571 3.729 19840 953 1 4 . 1 1 23 23 GLY CA C 23 44.366 44.366 44.068 0.298 19840 954 1 4 . 1 1 23 23 GLY H H 23 8.204 8.204 7.642 0.562 19840 955 1 4 . 1 1 24 24 GLU N N 24 116.771 116.771 118.470 -1.699 19840 956 1 4 . 1 1 24 24 GLU HA H 24 5.594 5.594 5.262 0.332 19840 957 1 4 . 1 1 24 24 GLU CA C 24 53.749 53.749 55.643 -1.894 19840 958 1 4 . 1 1 24 24 GLU CB C 24 35.193 35.193 33.048 2.145 19840 959 1 4 . 1 1 24 24 GLU H H 24 8.131 8.131 8.405 -0.274 19840 960 1 4 . 1 1 25 25 LEU N N 25 121.029 121.029 124.471 -3.442 19840 961 1 4 . 1 1 25 25 LEU HA H 25 4.465 4.465 4.704 -0.239 19840 962 1 4 . 1 1 25 25 LEU CA C 25 54.586 54.586 54.011 0.574 19840 963 1 4 . 1 1 25 25 LEU CB C 25 49.054 49.054 46.389 2.665 19840 964 1 4 . 1 1 25 25 LEU H H 25 8.899 8.899 8.900 -0.001 19840 965 1 4 . 1 1 26 26 ARG N N 26 128.131 128.131 123.865 4.266 19840 966 1 4 . 1 1 26 26 ARG HA H 26 4.864 4.864 4.783 0.081 19840 967 1 4 . 1 1 26 26 ARG CA C 26 55.359 55.359 55.620 -0.261 19840 968 1 4 . 1 1 26 26 ARG CB C 26 29.623 29.623 31.171 -1.548 19840 969 1 4 . 1 1 26 26 ARG H H 26 8.604 8.604 8.505 0.099 19840 970 1 4 . 1 1 27 27 ILE N N 27 129.246 129.246 125.339 3.907 19840 971 1 4 . 1 1 27 27 ILE HA H 27 4.202 4.202 3.977 0.225 19840 972 1 4 . 1 1 27 27 ILE CA C 27 60.765 60.765 59.747 1.018 19840 973 1 4 . 1 1 27 27 ILE CB C 27 40.383 40.383 41.157 -0.775 19840 974 1 4 . 1 1 27 27 ILE H H 27 9.029 9.029 8.649 0.380 19840 975 1 4 . 1 1 28 28 PHE N N 28 127.383 127.383 124.719 2.664 19840 976 1 4 . 1 1 28 28 PHE HA H 28 3.968 3.968 4.552 -0.584 19840 977 1 4 . 1 1 28 28 PHE CA C 28 58.921 58.921 56.370 2.551 19840 978 1 4 . 1 1 28 28 PHE CB C 28 39.444 39.444 38.119 1.325 19840 979 1 4 . 1 1 28 28 PHE H H 28 8.885 8.885 8.095 0.790 19840 980 1 4 . 1 1 29 29 VAL N N 29 124.164 124.164 120.038 4.126 19840 981 1 4 . 1 1 29 29 VAL HA H 29 3.887 3.887 4.621 -0.734 19840 982 1 4 . 1 1 29 29 VAL CA C 29 61.099 61.099 60.791 0.308 19840 983 1 4 . 1 1 29 29 VAL CB C 29 30.194 30.194 31.369 -1.175 19840 984 1 4 . 1 1 29 29 VAL H H 29 8.396 8.396 8.569 -0.173 19840 985 1 4 . 1 1 30 30 GLY N N 30 113.336 113.336 115.961 -2.625 19840 986 1 4 . 1 1 30 30 GLY CA C 30 46.252 46.252 44.743 1.508 19840 987 1 4 . 1 1 30 30 GLY H H 30 8.376 8.376 8.330 0.046 19840 988 1 4 . 1 1 31 31 SER H H 31 8.290 8.290 8.535 -0.245 19840 989 1 4 . 1 1 32 32 SER N N 32 114.602 114.602 117.175 -2.573 19840 990 1 4 . 1 1 32 32 SER HA H 32 4.572 4.572 4.579 -0.007 19840 991 1 4 . 1 1 32 32 SER CA C 32 59.632 59.632 58.587 1.045 19840 992 1 4 . 1 1 32 32 SER CB C 32 64.882 64.882 64.534 0.348 19840 993 1 4 . 1 1 32 32 SER H H 32 8.344 8.344 8.499 -0.155 19840 994 1 4 . 1 1 33 33 HIS N N 33 114.790 114.790 118.002 -3.212 19840 995 1 4 . 1 1 33 33 HIS HA H 33 4.881 4.881 4.683 0.198 19840 996 1 4 . 1 1 33 33 HIS CA C 33 55.139 55.139 55.746 -0.607 19840 997 1 4 . 1 1 33 33 HIS CB C 33 29.454 29.454 31.878 -2.424 19840 998 1 4 . 1 1 33 33 HIS H H 33 7.586 7.586 7.620 -0.034 19840 999 1 4 . 1 1 34 34 SER N N 34 112.452 112.452 113.752 -1.300 19840 1000 1 4 . 1 1 34 34 SER HA H 34 4.651 4.651 5.351 -0.700 19840 1001 1 4 . 1 1 34 34 SER CA C 34 56.296 56.296 57.271 -0.975 19840 1002 1 4 . 1 1 34 34 SER CB C 34 66.406 66.406 66.221 0.185 19840 1003 1 4 . 1 1 34 34 SER H H 34 8.169 8.169 8.382 -0.213 19840 1004 1 4 . 1 1 35 35 TYR N N 35 116.118 116.118 119.260 -3.142 19840 1005 1 4 . 1 1 35 35 TYR HA H 35 5.047 5.047 4.812 0.235 19840 1006 1 4 . 1 1 35 35 TYR CA C 35 55.601 55.601 57.317 -1.716 19840 1007 1 4 . 1 1 35 35 TYR CB C 35 43.070 43.070 42.553 0.517 19840 1008 1 4 . 1 1 35 35 TYR H H 35 8.493 8.493 8.701 -0.208 19840 1009 1 4 . 1 1 36 36 LEU N N 36 125.430 125.430 126.145 -0.715 19840 1010 1 4 . 1 1 36 36 LEU HA H 36 4.565 4.565 4.659 -0.094 19840 1011 1 4 . 1 1 36 36 LEU CA C 36 53.796 53.796 54.943 -1.147 19840 1012 1 4 . 1 1 36 36 LEU CB C 36 41.810 41.810 43.293 -1.483 19840 1013 1 4 . 1 1 36 36 LEU H H 36 8.476 8.476 8.945 -0.469 19840 1014 1 4 . 1 1 37 37 ILE N N 37 129.763 129.763 126.834 2.929 19840 1015 1 4 . 1 1 37 37 ILE HA H 37 4.607 4.607 4.391 0.216 19840 1016 1 4 . 1 1 37 37 ILE CA C 37 57.337 57.337 59.123 -1.786 19840 1017 1 4 . 1 1 37 37 ILE CB C 37 37.601 37.601 38.946 -1.345 19840 1018 1 4 . 1 1 37 37 ILE H H 37 8.512 8.512 9.115 -0.603 19840 1019 1 4 . 1 1 38 38 LYS N N 38 125.927 125.927 128.193 -2.266 19840 1020 1 4 . 1 1 38 38 LYS HA H 38 4.958 4.958 4.950 0.008 19840 1021 1 4 . 1 1 38 38 LYS CA C 38 54.054 54.054 54.669 -0.615 19840 1022 1 4 . 1 1 38 38 LYS CB C 38 34.807 34.807 35.042 -0.235 19840 1023 1 4 . 1 1 38 38 LYS H H 38 8.849 8.849 8.762 0.087 19840 1024 1 4 . 1 1 39 39 ALA N N 39 124.260 124.260 130.773 -6.513 19840 1025 1 4 . 1 1 39 39 ALA HA H 39 5.671 5.671 5.315 0.356 19840 1026 1 4 . 1 1 39 39 ALA CA C 39 49.202 49.202 50.072 -0.870 19840 1027 1 4 . 1 1 39 39 ALA CB C 39 23.170 23.170 20.864 2.306 19840 1028 1 4 . 1 1 39 39 ALA H H 39 8.498 8.498 8.833 -0.335 19840 1029 1 4 . 1 1 40 40 THR N N 40 112.492 112.492 117.384 -4.892 19840 1030 1 4 . 1 1 40 40 THR HA H 40 4.651 4.651 4.396 0.255 19840 1031 1 4 . 1 1 40 40 THR CA C 40 60.482 60.482 60.845 -0.363 19840 1032 1 4 . 1 1 40 40 THR CB C 40 71.335 71.335 70.023 1.312 19840 1033 1 4 . 1 1 40 40 THR H H 40 8.996 8.996 8.358 0.638 19840 1034 1 4 . 1 1 41 41 SER H H 41 8.288 8.288 8.648 -0.360 19840 1035 1 4 . 1 1 42 42 SER N N 42 113.261 113.261 114.591 -1.330 19840 1036 1 4 . 1 1 42 42 SER HA H 42 4.636 4.636 4.616 0.020 19840 1037 1 4 . 1 1 42 42 SER CA C 42 57.101 57.101 57.639 -0.537 19840 1038 1 4 . 1 1 42 42 SER CB C 42 62.842 62.842 63.606 -0.764 19840 1039 1 4 . 1 1 42 42 SER H H 42 7.629 7.629 7.826 -0.197 19840 1040 1 4 . 1 1 43 43 CYS N N 43 111.527 111.527 119.565 -8.038 19840 1041 1 4 . 1 1 43 43 CYS HA H 43 4.311 4.311 4.099 0.212 19840 1042 1 4 . 1 1 43 43 CYS CA C 43 54.093 54.093 59.688 -5.595 19840 1043 1 4 . 1 1 43 43 CYS CB C 43 32.030 32.030 25.266 6.764 19840 1044 1 4 . 1 1 43 43 CYS H H 43 8.008 8.008 7.819 0.189 19840 1045 1 4 . 1 1 44 44 GLY N N 44 107.262 107.262 108.122 -0.860 19840 1046 1 4 . 1 1 44 44 GLY CA C 44 45.585 45.585 44.660 0.925 19840 1047 1 4 . 1 1 44 44 GLY H H 44 8.222 8.222 7.761 0.461 19840 1048 1 4 . 1 1 45 45 LEU N N 45 127.185 127.185 126.289 0.896 19840 1049 1 4 . 1 1 45 45 LEU HA H 45 5.586 5.586 5.331 0.255 19840 1050 1 4 . 1 1 45 45 LEU CA C 45 53.741 53.741 54.435 -0.694 19840 1051 1 4 . 1 1 45 45 LEU CB C 45 44.311 44.311 43.399 0.912 19840 1052 1 4 . 1 1 45 45 LEU H H 45 8.684 8.684 8.406 0.278 19840 1053 1 4 . 1 1 46 46 SER N N 46 114.241 114.241 114.061 0.180 19840 1054 1 4 . 1 1 46 46 SER HA H 46 4.595 4.595 4.544 0.051 19840 1055 1 4 . 1 1 46 46 SER CA C 46 57.466 57.466 57.775 -0.309 19840 1056 1 4 . 1 1 46 46 SER CB C 46 65.844 65.844 64.674 1.170 19840 1057 1 4 . 1 1 46 46 SER H H 46 8.856 8.856 8.147 0.709 19840 1058 1 4 . 1 1 47 47 LEU N N 47 120.302 120.302 123.898 -3.596 19840 1059 1 4 . 1 1 47 47 LEU HA H 47 4.756 4.756 4.800 -0.044 19840 1060 1 4 . 1 1 47 47 LEU CA C 47 53.725 53.725 55.732 -2.007 19840 1061 1 4 . 1 1 47 47 LEU CB C 47 43.078 43.078 42.831 0.247 19840 1062 1 4 . 1 1 47 47 LEU H H 47 8.482 8.482 8.669 -0.187 19840 1063 1 4 . 1 1 48 48 THR N N 48 119.533 119.533 114.360 5.173 19840 1064 1 4 . 1 1 48 48 THR HA H 48 4.211 4.211 4.361 -0.150 19840 1065 1 4 . 1 1 48 48 THR CA C 48 63.095 63.095 61.172 1.923 19840 1066 1 4 . 1 1 48 48 THR CB C 48 69.170 69.170 68.306 0.864 19840 1067 1 4 . 1 1 48 48 THR H H 48 8.472 8.472 8.499 -0.027 19840 1068 1 4 . 1 1 49 49 ASN N N 49 120.348 120.348 123.302 -2.954 19840 1069 1 4 . 1 1 49 49 ASN HA H 49 4.511 4.511 4.442 0.069 19840 1070 1 4 . 1 1 49 49 ASN CA C 49 53.577 53.577 54.545 -0.968 19840 1071 1 4 . 1 1 49 49 ASN CB C 49 37.381 37.381 38.185 -0.804 19840 1072 1 4 . 1 1 49 49 ASN H H 49 8.967 8.967 8.632 0.335 19840 1073 1 4 . 1 1 50 50 GLN N N 50 114.907 114.907 117.032 -2.125 19840 1074 1 4 . 1 1 50 50 GLN HA H 50 4.672 4.672 4.557 0.115 19840 1075 1 4 . 1 1 50 50 GLN CA C 50 54.515 54.515 55.063 -0.548 19840 1076 1 4 . 1 1 50 50 GLN CB C 50 34.947 34.947 32.211 2.736 19840 1077 1 4 . 1 1 50 50 GLN H H 50 7.207 7.207 7.926 -0.719 19840 1078 1 4 . 1 1 51 51 VAL N N 51 112.350 112.350 116.559 -4.209 19840 1079 1 4 . 1 1 51 51 VAL HA H 51 4.430 4.430 4.451 -0.021 19840 1080 1 4 . 1 1 51 51 VAL CA C 51 59.441 59.441 60.531 -1.090 19840 1081 1 4 . 1 1 51 51 VAL CB C 51 34.108 34.108 32.771 1.337 19840 1082 1 4 . 1 1 51 51 VAL H H 51 7.575 7.575 8.307 -0.732 19840 1083 1 4 . 1 1 52 52 PHE N N 52 119.853 119.853 123.141 -3.288 19840 1084 1 4 . 1 1 52 52 PHE HA H 52 4.422 4.422 4.644 -0.222 19840 1085 1 4 . 1 1 52 52 PHE CA C 52 60.310 60.310 56.566 3.744 19840 1086 1 4 . 1 1 52 52 PHE CB C 52 40.650 40.650 40.349 0.301 19840 1087 1 4 . 1 1 52 52 PHE H H 52 8.221 8.221 8.257 -0.036 19840 1088 1 4 . 1 1 53 53 ILE N N 53 116.505 116.505 113.728 2.777 19840 1089 1 4 . 1 1 53 53 ILE HA H 53 4.688 4.688 4.233 0.455 19840 1090 1 4 . 1 1 53 53 ILE CA C 53 59.582 59.582 60.250 -0.668 19840 1091 1 4 . 1 1 53 53 ILE CB C 53 41.131 41.131 41.414 -0.283 19840 1092 1 4 . 1 1 53 53 ILE H H 53 8.436 8.436 7.954 0.482 19840 1093 1 4 . 1 1 54 54 ASN N N 54 113.329 113.329 118.896 -5.567 19840 1094 1 4 . 1 1 54 54 ASN HA H 54 4.351 4.351 4.453 -0.102 19840 1095 1 4 . 1 1 54 54 ASN CA C 54 54.129 54.129 54.455 -0.326 19840 1096 1 4 . 1 1 54 54 ASN CB C 54 37.453 37.453 37.455 -0.002 19840 1097 1 4 . 1 1 54 54 ASN H H 54 8.889 8.889 9.248 -0.359 19840 1098 1 4 . 1 1 55 55 GLY N N 55 107.928 107.928 100.756 7.172 19840 1099 1 4 . 1 1 55 55 GLY CA C 55 46.132 46.132 45.598 0.534 19840 1100 1 4 . 1 1 55 55 GLY H H 55 8.911 8.911 8.554 0.357 19840 1101 1 4 . 1 1 56 56 GLU N N 56 119.227 119.227 121.468 -2.241 19840 1102 1 4 . 1 1 56 56 GLU HA H 56 4.590 4.590 4.732 -0.142 19840 1103 1 4 . 1 1 56 56 GLU CA C 56 55.616 55.616 57.050 -1.434 19840 1104 1 4 . 1 1 56 56 GLU CB C 56 30.193 30.193 30.825 -0.632 19840 1105 1 4 . 1 1 56 56 GLU H H 56 7.646 7.646 8.413 -0.767 19840 1106 1 4 . 1 1 57 57 SER N N 57 109.621 109.621 119.405 -9.784 19840 1107 1 4 . 1 1 57 57 SER HA H 57 2.577 2.577 4.618 -2.041 19840 1108 1 4 . 1 1 57 57 SER CA C 57 57.073 57.073 57.034 0.039 19840 1109 1 4 . 1 1 57 57 SER CB C 57 64.367 64.367 65.324 -0.957 19840 1110 1 4 . 1 1 57 57 SER H H 57 7.939 7.939 8.367 -0.428 19840 1111 1 4 . 1 1 58 58 VAL N N 58 115.887 115.887 116.400 -0.513 19840 1112 1 4 . 1 1 58 58 VAL HA H 58 5.488 5.488 5.089 0.399 19840 1113 1 4 . 1 1 58 58 VAL CA C 58 57.914 57.914 60.084 -2.171 19840 1114 1 4 . 1 1 58 58 VAL CB C 58 34.794 34.794 34.187 0.607 19840 1115 1 4 . 1 1 58 58 VAL H H 58 7.721 7.721 7.994 -0.273 19840 1116 1 4 . 1 1 59 59 GLN N N 59 126.845 126.845 123.648 3.197 19840 1117 1 4 . 1 1 59 59 GLN HA H 59 4.669 4.669 4.627 0.042 19840 1118 1 4 . 1 1 59 59 GLN CA C 59 53.560 53.560 53.758 -0.198 19840 1119 1 4 . 1 1 59 59 GLN CB C 59 33.889 33.889 33.546 0.343 19840 1120 1 4 . 1 1 59 59 GLN H H 59 9.107 9.107 8.872 0.235 19840 1121 1 4 . 1 1 60 60 SER N N 60 119.479 119.479 118.691 0.788 19840 1122 1 4 . 1 1 60 60 SER HA H 60 4.768 4.768 4.809 -0.041 19840 1123 1 4 . 1 1 60 60 SER CA C 60 58.438 58.438 58.005 0.433 19840 1124 1 4 . 1 1 60 60 SER CB C 60 63.484 63.484 63.344 0.140 19840 1125 1 4 . 1 1 60 60 SER H H 60 8.959 8.959 8.709 0.250 19840 1126 1 4 . 1 1 61 61 GLY N N 61 113.757 113.757 112.854 0.903 19840 1127 1 4 . 1 1 61 61 GLY CA C 61 44.893 44.893 45.530 -0.637 19840 1128 1 4 . 1 1 61 61 GLY H H 61 8.287 8.287 8.356 -0.069 19840 1129 1 4 . 1 1 62 62 GLY N N 62 108.329 108.329 107.282 1.047 19840 1130 1 4 . 1 1 62 62 GLY CA C 62 43.932 43.932 44.401 -0.469 19840 1131 1 4 . 1 1 62 62 GLY H H 62 7.868 7.868 7.420 0.448 19840 1132 1 4 . 1 1 63 63 ARG N N 63 122.424 122.424 120.987 1.437 19840 1133 1 4 . 1 1 63 63 ARG HA H 63 5.229 5.229 4.676 0.552 19840 1134 1 4 . 1 1 63 63 ARG CA C 63 54.037 54.037 55.162 -1.125 19840 1135 1 4 . 1 1 63 63 ARG CB C 63 31.849 31.849 31.039 0.810 19840 1136 1 4 . 1 1 63 63 ARG H H 63 8.730 8.730 8.307 0.423 19840 1137 1 5 . 1 1 2 2 CYS N N 2 119.737 119.737 118.762 0.975 19840 1138 1 5 . 1 1 2 2 CYS HA H 2 5.082 5.082 5.550 -0.468 19840 1139 1 5 . 1 1 2 2 CYS CA C 2 53.264 53.264 56.950 -3.686 19840 1140 1 5 . 1 1 2 2 CYS CB C 2 39.218 39.218 30.993 8.225 19840 1141 1 5 . 1 1 2 2 CYS H H 2 9.003 9.003 9.044 -0.041 19840 1142 1 5 . 1 1 3 3 VAL N N 3 126.716 126.716 122.869 3.847 19840 1143 1 5 . 1 1 3 3 VAL HA H 3 4.177 4.177 4.321 -0.144 19840 1144 1 5 . 1 1 3 3 VAL CA C 3 64.132 64.132 61.445 2.687 19840 1145 1 5 . 1 1 3 3 VAL CB C 3 31.608 31.608 34.503 -2.895 19840 1146 1 5 . 1 1 3 3 VAL H H 3 8.647 8.647 8.383 0.264 19840 1147 1 5 . 1 1 4 4 ALA N N 4 134.327 134.327 127.727 6.600 19840 1148 1 5 . 1 1 4 4 ALA HA H 4 4.773 4.773 5.235 -0.462 19840 1149 1 5 . 1 1 4 4 ALA CA C 4 49.964 49.964 50.218 -0.254 19840 1150 1 5 . 1 1 4 4 ALA CB C 4 22.047 22.047 22.146 -0.099 19840 1151 1 5 . 1 1 4 4 ALA H H 4 9.282 9.282 8.916 0.366 19840 1152 1 5 . 1 1 5 5 ASN N N 5 119.560 119.560 121.275 -1.715 19840 1153 1 5 . 1 1 5 5 ASN HA H 5 5.516 5.516 5.389 0.127 19840 1154 1 5 . 1 1 5 5 ASN CA C 5 50.853 50.853 51.807 -0.954 19840 1155 1 5 . 1 1 5 5 ASN CB C 5 40.194 40.194 42.735 -2.541 19840 1156 1 5 . 1 1 5 5 ASN H H 5 8.760 8.760 8.875 -0.115 19840 1157 1 5 . 1 1 6 6 ILE N N 6 123.118 123.118 122.831 0.287 19840 1158 1 5 . 1 1 6 6 ILE HA H 6 4.961 4.961 5.023 -0.062 19840 1159 1 5 . 1 1 6 6 ILE CA C 6 57.398 57.398 59.677 -2.279 19840 1160 1 5 . 1 1 6 6 ILE CB C 6 35.561 35.561 38.673 -3.112 19840 1161 1 5 . 1 1 6 6 ILE H H 6 9.093 9.093 8.536 0.557 19840 1162 1 5 . 1 1 7 7 LEU N N 7 128.607 128.607 125.494 3.113 19840 1163 1 5 . 1 1 7 7 LEU HA H 7 5.399 5.399 5.039 0.360 19840 1164 1 5 . 1 1 7 7 LEU CA C 7 52.382 52.382 53.438 -1.056 19840 1165 1 5 . 1 1 7 7 LEU CB C 7 44.218 44.218 44.781 -0.563 19840 1166 1 5 . 1 1 7 7 LEU H H 7 8.896 8.896 8.967 -0.071 19840 1167 1 5 . 1 1 8 8 ASN N N 8 114.552 114.552 118.838 -4.286 19840 1168 1 5 . 1 1 8 8 ASN HA H 8 4.847 4.847 4.944 -0.097 19840 1169 1 5 . 1 1 8 8 ASN CA C 8 50.359 50.359 51.505 -1.146 19840 1170 1 5 . 1 1 8 8 ASN CB C 8 39.476 39.476 39.103 0.373 19840 1171 1 5 . 1 1 8 8 ASN H H 8 8.341 8.341 8.323 0.018 19840 1172 1 5 . 1 1 9 9 ILE N N 9 120.261 120.261 118.204 2.057 19840 1173 1 5 . 1 1 9 9 ILE HA H 9 4.013 4.013 3.981 0.032 19840 1174 1 5 . 1 1 9 9 ILE CA C 9 63.509 63.509 63.868 -0.359 19840 1175 1 5 . 1 1 9 9 ILE CB C 9 38.538 38.538 37.729 0.809 19840 1176 1 5 . 1 1 9 9 ILE H H 9 8.713 8.713 8.562 0.151 19840 1177 1 5 . 1 1 10 10 ASN N N 10 117.798 117.798 115.961 1.837 19840 1178 1 5 . 1 1 10 10 ASN HA H 10 4.897 4.897 4.768 0.129 19840 1179 1 5 . 1 1 10 10 ASN CA C 10 52.939 52.939 53.136 -0.197 19840 1180 1 5 . 1 1 10 10 ASN CB C 10 38.741 38.741 38.831 -0.090 19840 1181 1 5 . 1 1 10 10 ASN H H 10 7.242 7.242 8.021 -0.779 19840 1182 1 5 . 1 1 11 11 GLU N N 11 112.166 112.166 115.148 -2.982 19840 1183 1 5 . 1 1 11 11 GLU HA H 11 3.548 3.548 3.875 -0.327 19840 1184 1 5 . 1 1 11 11 GLU CA C 11 58.111 58.111 57.388 0.723 19840 1185 1 5 . 1 1 11 11 GLU CB C 11 25.932 25.932 26.868 -0.936 19840 1186 1 5 . 1 1 11 11 GLU H H 11 8.242 8.242 8.145 0.097 19840 1187 1 5 . 1 1 12 12 ALA N N 12 121.641 121.641 121.055 0.586 19840 1188 1 5 . 1 1 12 12 ALA HA H 12 4.502 4.502 4.626 -0.124 19840 1189 1 5 . 1 1 12 12 ALA CA C 12 50.413 50.413 50.613 -0.200 19840 1190 1 5 . 1 1 12 12 ALA CB C 12 19.623 19.623 20.487 -0.864 19840 1191 1 5 . 1 1 12 12 ALA H H 12 7.798 7.798 8.681 -0.883 19840 1192 1 5 . 1 1 13 13 VAL N N 13 121.315 121.315 126.984 -5.669 19840 1193 1 5 . 1 1 13 13 VAL HA H 13 4.076 4.076 4.020 0.056 19840 1194 1 5 . 1 1 13 13 VAL CA C 13 63.484 63.484 64.323 -0.839 19840 1195 1 5 . 1 1 13 13 VAL CB C 13 31.277 31.277 31.208 0.069 19840 1196 1 5 . 1 1 13 13 VAL H H 13 8.512 8.512 8.807 -0.295 19840 1197 1 5 . 1 1 14 14 ILE N N 14 121.921 121.921 123.657 -1.736 19840 1198 1 5 . 1 1 14 14 ILE HA H 14 4.635 4.635 4.530 0.105 19840 1199 1 5 . 1 1 14 14 ILE CA C 14 61.188 61.188 60.711 0.478 19840 1200 1 5 . 1 1 14 14 ILE CB C 14 39.644 39.644 38.676 0.968 19840 1201 1 5 . 1 1 14 14 ILE H H 14 9.293 9.293 8.941 0.352 19840 1202 1 5 . 1 1 15 15 ALA N N 15 123.193 123.193 123.039 0.154 19840 1203 1 5 . 1 1 15 15 ALA HA H 15 4.624 4.624 4.850 -0.226 19840 1204 1 5 . 1 1 15 15 ALA CA C 15 52.546 52.546 51.384 1.162 19840 1205 1 5 . 1 1 15 15 ALA CB C 15 22.693 22.693 22.096 0.597 19840 1206 1 5 . 1 1 15 15 ALA H H 15 7.941 7.941 7.844 0.097 19840 1207 1 5 . 1 1 16 16 THR N N 16 114.723 114.723 111.895 2.828 19840 1208 1 5 . 1 1 16 16 THR HA H 16 5.738 5.738 5.522 0.216 19840 1209 1 5 . 1 1 16 16 THR CA C 16 60.046 60.046 60.304 -0.258 19840 1210 1 5 . 1 1 16 16 THR CB C 16 70.929 70.929 72.183 -1.254 19840 1211 1 5 . 1 1 16 16 THR H H 16 8.582 8.582 8.584 -0.002 19840 1212 1 5 . 1 1 17 17 GLY N N 17 111.166 111.166 107.631 3.535 19840 1213 1 5 . 1 1 17 17 GLY CA C 17 45.095 45.095 45.285 -0.190 19840 1214 1 5 . 1 1 17 17 GLY H H 17 8.576 8.576 8.372 0.204 19840 1215 1 5 . 1 1 18 18 CYS N N 18 121.493 121.493 120.180 1.313 19840 1216 1 5 . 1 1 18 18 CYS HA H 18 4.930 4.930 5.068 -0.138 19840 1217 1 5 . 1 1 18 18 CYS CA C 18 53.999 53.999 57.026 -3.026 19840 1218 1 5 . 1 1 18 18 CYS CB C 18 39.899 39.899 28.717 11.182 19840 1219 1 5 . 1 1 18 18 CYS H H 18 8.622 8.622 8.384 0.238 19840 1220 1 5 . 1 1 19 19 VAL N N 19 131.185 131.185 128.286 2.899 19840 1221 1 5 . 1 1 19 19 VAL HA H 19 4.019 4.019 4.614 -0.595 19840 1222 1 5 . 1 1 19 19 VAL CA C 19 59.537 59.537 58.901 0.636 19840 1223 1 5 . 1 1 19 19 VAL CB C 19 33.825 33.825 34.941 -1.116 19840 1224 1 5 . 1 1 19 19 VAL H H 19 9.414 9.414 9.245 0.169 19840 1225 1 5 . 1 1 20 20 PRO HA H 20 4.012 4.012 4.473 -0.461 19840 1226 1 5 . 1 1 20 20 PRO CA C 20 62.492 62.492 62.441 0.050 19840 1227 1 5 . 1 1 20 20 PRO CB C 20 31.931 31.931 32.387 -0.456 19840 1228 1 5 . 1 1 21 21 ALA N N 21 127.518 127.518 121.877 5.641 19840 1229 1 5 . 1 1 21 21 ALA HA H 21 3.907 3.907 4.112 -0.205 19840 1230 1 5 . 1 1 21 21 ALA CA C 21 53.558 53.558 52.663 0.895 19840 1231 1 5 . 1 1 21 21 ALA CB C 21 17.717 17.717 18.434 -0.717 19840 1232 1 5 . 1 1 21 21 ALA H H 21 8.147 8.147 8.122 0.025 19840 1233 1 5 . 1 1 22 22 GLY N N 22 114.819 114.819 113.464 1.355 19840 1234 1 5 . 1 1 22 22 GLY CA C 22 46.038 46.038 45.225 0.813 19840 1235 1 5 . 1 1 22 22 GLY H H 22 7.292 7.292 8.855 -1.563 19840 1236 1 5 . 1 1 23 23 GLY N N 23 111.300 111.300 107.259 4.041 19840 1237 1 5 . 1 1 23 23 GLY CA C 23 44.366 44.366 44.426 -0.060 19840 1238 1 5 . 1 1 23 23 GLY H H 23 8.204 8.204 7.619 0.585 19840 1239 1 5 . 1 1 24 24 GLU N N 24 116.771 116.771 118.035 -1.264 19840 1240 1 5 . 1 1 24 24 GLU HA H 24 5.594 5.594 5.091 0.503 19840 1241 1 5 . 1 1 24 24 GLU CA C 24 53.749 53.749 55.623 -1.874 19840 1242 1 5 . 1 1 24 24 GLU CB C 24 35.193 35.193 33.259 1.934 19840 1243 1 5 . 1 1 24 24 GLU H H 24 8.131 8.131 8.306 -0.175 19840 1244 1 5 . 1 1 25 25 LEU N N 25 121.029 121.029 122.019 -0.990 19840 1245 1 5 . 1 1 25 25 LEU HA H 25 4.465 4.465 4.666 -0.201 19840 1246 1 5 . 1 1 25 25 LEU CA C 25 54.586 54.586 53.944 0.642 19840 1247 1 5 . 1 1 25 25 LEU CB C 25 49.054 49.054 47.058 1.996 19840 1248 1 5 . 1 1 25 25 LEU H H 25 8.899 8.899 8.926 -0.027 19840 1249 1 5 . 1 1 26 26 ARG N N 26 128.131 128.131 124.258 3.873 19840 1250 1 5 . 1 1 26 26 ARG HA H 26 4.864 4.864 4.568 0.296 19840 1251 1 5 . 1 1 26 26 ARG CA C 26 55.359 55.359 55.524 -0.165 19840 1252 1 5 . 1 1 26 26 ARG CB C 26 29.623 29.623 30.276 -0.653 19840 1253 1 5 . 1 1 26 26 ARG H H 26 8.604 8.604 8.456 0.148 19840 1254 1 5 . 1 1 27 27 ILE N N 27 129.246 129.246 126.779 2.467 19840 1255 1 5 . 1 1 27 27 ILE HA H 27 4.202 4.202 3.779 0.423 19840 1256 1 5 . 1 1 27 27 ILE CA C 27 60.765 60.765 60.559 0.206 19840 1257 1 5 . 1 1 27 27 ILE CB C 27 40.383 40.383 39.681 0.702 19840 1258 1 5 . 1 1 27 27 ILE H H 27 9.029 9.029 8.523 0.506 19840 1259 1 5 . 1 1 28 28 PHE N N 28 127.383 127.383 125.084 2.299 19840 1260 1 5 . 1 1 28 28 PHE HA H 28 3.968 3.968 4.878 -0.910 19840 1261 1 5 . 1 1 28 28 PHE CA C 28 58.921 58.921 56.715 2.206 19840 1262 1 5 . 1 1 28 28 PHE CB C 28 39.444 39.444 38.697 0.747 19840 1263 1 5 . 1 1 28 28 PHE H H 28 8.885 8.885 8.268 0.617 19840 1264 1 5 . 1 1 29 29 VAL N N 29 124.164 124.164 125.797 -1.633 19840 1265 1 5 . 1 1 29 29 VAL HA H 29 3.887 3.887 4.294 -0.407 19840 1266 1 5 . 1 1 29 29 VAL CA C 29 61.099 61.099 61.812 -0.713 19840 1267 1 5 . 1 1 29 29 VAL CB C 29 30.194 30.194 31.752 -1.558 19840 1268 1 5 . 1 1 29 29 VAL H H 29 8.396 8.396 8.264 0.132 19840 1269 1 5 . 1 1 30 30 GLY N N 30 113.336 113.336 112.771 0.565 19840 1270 1 5 . 1 1 30 30 GLY CA C 30 46.252 46.252 44.276 1.976 19840 1271 1 5 . 1 1 30 30 GLY H H 30 8.376 8.376 7.662 0.714 19840 1272 1 5 . 1 1 31 31 SER H H 31 8.290 8.290 8.699 -0.409 19840 1273 1 5 . 1 1 32 32 SER N N 32 114.602 114.602 114.498 0.104 19840 1274 1 5 . 1 1 32 32 SER HA H 32 4.572 4.572 4.583 -0.011 19840 1275 1 5 . 1 1 32 32 SER CA C 32 59.632 59.632 57.672 1.960 19840 1276 1 5 . 1 1 32 32 SER CB C 32 64.882 64.882 64.509 0.373 19840 1277 1 5 . 1 1 32 32 SER H H 32 8.344 8.344 8.018 0.326 19840 1278 1 5 . 1 1 33 33 HIS N N 33 114.790 114.790 120.787 -5.997 19840 1279 1 5 . 1 1 33 33 HIS HA H 33 4.881 4.881 4.554 0.327 19840 1280 1 5 . 1 1 33 33 HIS CA C 33 55.139 55.139 56.891 -1.752 19840 1281 1 5 . 1 1 33 33 HIS CB C 33 29.454 29.454 32.550 -3.096 19840 1282 1 5 . 1 1 33 33 HIS H H 33 7.586 7.586 8.171 -0.585 19840 1283 1 5 . 1 1 34 34 SER N N 34 112.452 112.452 116.403 -3.951 19840 1284 1 5 . 1 1 34 34 SER HA H 34 4.651 4.651 5.152 -0.501 19840 1285 1 5 . 1 1 34 34 SER CA C 34 56.296 56.296 57.714 -1.418 19840 1286 1 5 . 1 1 34 34 SER CB C 34 66.406 66.406 66.552 -0.146 19840 1287 1 5 . 1 1 34 34 SER H H 34 8.169 8.169 8.372 -0.203 19840 1288 1 5 . 1 1 35 35 TYR N N 35 116.118 116.118 120.285 -4.167 19840 1289 1 5 . 1 1 35 35 TYR HA H 35 5.047 5.047 4.701 0.346 19840 1290 1 5 . 1 1 35 35 TYR CA C 35 55.601 55.601 57.426 -1.825 19840 1291 1 5 . 1 1 35 35 TYR CB C 35 43.070 43.070 42.264 0.806 19840 1292 1 5 . 1 1 35 35 TYR H H 35 8.493 8.493 8.847 -0.354 19840 1293 1 5 . 1 1 36 36 LEU N N 36 125.430 125.430 125.722 -0.292 19840 1294 1 5 . 1 1 36 36 LEU HA H 36 4.565 4.565 4.743 -0.178 19840 1295 1 5 . 1 1 36 36 LEU CA C 36 53.796 53.796 54.828 -1.032 19840 1296 1 5 . 1 1 36 36 LEU CB C 36 41.810 41.810 43.302 -1.492 19840 1297 1 5 . 1 1 36 36 LEU H H 36 8.476 8.476 8.828 -0.352 19840 1298 1 5 . 1 1 37 37 ILE N N 37 129.763 129.763 126.955 2.808 19840 1299 1 5 . 1 1 37 37 ILE HA H 37 4.607 4.607 4.526 0.081 19840 1300 1 5 . 1 1 37 37 ILE CA C 37 57.337 57.337 58.993 -1.656 19840 1301 1 5 . 1 1 37 37 ILE CB C 37 37.601 37.601 38.751 -1.150 19840 1302 1 5 . 1 1 37 37 ILE H H 37 8.512 8.512 9.173 -0.661 19840 1303 1 5 . 1 1 38 38 LYS N N 38 125.927 125.927 128.105 -2.178 19840 1304 1 5 . 1 1 38 38 LYS HA H 38 4.958 4.958 4.890 0.068 19840 1305 1 5 . 1 1 38 38 LYS CA C 38 54.054 54.054 54.631 -0.577 19840 1306 1 5 . 1 1 38 38 LYS CB C 38 34.807 34.807 35.226 -0.419 19840 1307 1 5 . 1 1 38 38 LYS H H 38 8.849 8.849 9.024 -0.175 19840 1308 1 5 . 1 1 39 39 ALA N N 39 124.260 124.260 131.273 -7.013 19840 1309 1 5 . 1 1 39 39 ALA HA H 39 5.671 5.671 5.240 0.431 19840 1310 1 5 . 1 1 39 39 ALA CA C 39 49.202 49.202 49.999 -0.797 19840 1311 1 5 . 1 1 39 39 ALA CB C 39 23.170 23.170 21.030 2.140 19840 1312 1 5 . 1 1 39 39 ALA H H 39 8.498 8.498 8.706 -0.208 19840 1313 1 5 . 1 1 40 40 THR N N 40 112.492 112.492 115.525 -3.033 19840 1314 1 5 . 1 1 40 40 THR HA H 40 4.651 4.651 4.483 0.168 19840 1315 1 5 . 1 1 40 40 THR CA C 40 60.482 60.482 60.966 -0.484 19840 1316 1 5 . 1 1 40 40 THR CB C 40 71.335 71.335 69.894 1.441 19840 1317 1 5 . 1 1 40 40 THR H H 40 8.996 8.996 8.264 0.732 19840 1318 1 5 . 1 1 41 41 SER H H 41 8.288 8.288 8.640 -0.352 19840 1319 1 5 . 1 1 42 42 SER N N 42 113.261 113.261 115.129 -1.868 19840 1320 1 5 . 1 1 42 42 SER HA H 42 4.636 4.636 4.627 0.009 19840 1321 1 5 . 1 1 42 42 SER CA C 42 57.101 57.101 58.021 -0.920 19840 1322 1 5 . 1 1 42 42 SER CB C 42 62.842 62.842 63.640 -0.798 19840 1323 1 5 . 1 1 42 42 SER H H 42 7.629 7.629 7.779 -0.150 19840 1324 1 5 . 1 1 43 43 CYS N N 43 111.527 111.527 118.856 -7.329 19840 1325 1 5 . 1 1 43 43 CYS HA H 43 4.311 4.311 4.109 0.202 19840 1326 1 5 . 1 1 43 43 CYS CA C 43 54.093 54.093 59.584 -5.491 19840 1327 1 5 . 1 1 43 43 CYS CB C 43 32.030 32.030 25.437 6.593 19840 1328 1 5 . 1 1 43 43 CYS H H 43 8.008 8.008 7.803 0.205 19840 1329 1 5 . 1 1 44 44 GLY N N 44 107.262 107.262 108.187 -0.925 19840 1330 1 5 . 1 1 44 44 GLY CA C 44 45.585 45.585 44.678 0.907 19840 1331 1 5 . 1 1 44 44 GLY H H 44 8.222 8.222 7.775 0.447 19840 1332 1 5 . 1 1 45 45 LEU N N 45 127.185 127.185 125.684 1.501 19840 1333 1 5 . 1 1 45 45 LEU HA H 45 5.586 5.586 5.091 0.495 19840 1334 1 5 . 1 1 45 45 LEU CA C 45 53.741 53.741 54.739 -0.998 19840 1335 1 5 . 1 1 45 45 LEU CB C 45 44.311 44.311 43.197 1.114 19840 1336 1 5 . 1 1 45 45 LEU H H 45 8.684 8.684 8.466 0.218 19840 1337 1 5 . 1 1 46 46 SER N N 46 114.241 114.241 115.812 -1.571 19840 1338 1 5 . 1 1 46 46 SER HA H 46 4.595 4.595 4.550 0.045 19840 1339 1 5 . 1 1 46 46 SER CA C 46 57.466 57.466 57.828 -0.362 19840 1340 1 5 . 1 1 46 46 SER CB C 46 65.844 65.844 65.015 0.829 19840 1341 1 5 . 1 1 46 46 SER H H 46 8.856 8.856 7.952 0.904 19840 1342 1 5 . 1 1 47 47 LEU N N 47 120.302 120.302 123.972 -3.670 19840 1343 1 5 . 1 1 47 47 LEU HA H 47 4.756 4.756 4.714 0.042 19840 1344 1 5 . 1 1 47 47 LEU CA C 47 53.725 53.725 55.755 -2.030 19840 1345 1 5 . 1 1 47 47 LEU CB C 47 43.078 43.078 43.121 -0.043 19840 1346 1 5 . 1 1 47 47 LEU H H 47 8.482 8.482 8.635 -0.153 19840 1347 1 5 . 1 1 48 48 THR N N 48 119.533 119.533 116.470 3.063 19840 1348 1 5 . 1 1 48 48 THR HA H 48 4.211 4.211 4.449 -0.238 19840 1349 1 5 . 1 1 48 48 THR CA C 48 63.095 63.095 61.886 1.209 19840 1350 1 5 . 1 1 48 48 THR CB C 48 69.170 69.170 68.591 0.579 19840 1351 1 5 . 1 1 48 48 THR H H 48 8.472 8.472 8.420 0.052 19840 1352 1 5 . 1 1 49 49 ASN N N 49 120.348 120.348 120.939 -0.591 19840 1353 1 5 . 1 1 49 49 ASN HA H 49 4.511 4.511 4.502 0.009 19840 1354 1 5 . 1 1 49 49 ASN CA C 49 53.577 53.577 54.356 -0.779 19840 1355 1 5 . 1 1 49 49 ASN CB C 49 37.381 37.381 38.294 -0.912 19840 1356 1 5 . 1 1 49 49 ASN H H 49 8.967 8.967 8.696 0.271 19840 1357 1 5 . 1 1 50 50 GLN N N 50 114.907 114.907 117.041 -2.134 19840 1358 1 5 . 1 1 50 50 GLN HA H 50 4.672 4.672 4.511 0.161 19840 1359 1 5 . 1 1 50 50 GLN CA C 50 54.515 54.515 54.841 -0.326 19840 1360 1 5 . 1 1 50 50 GLN CB C 50 34.947 34.947 31.787 3.160 19840 1361 1 5 . 1 1 50 50 GLN H H 50 7.207 7.207 7.947 -0.740 19840 1362 1 5 . 1 1 51 51 VAL N N 51 112.350 112.350 114.867 -2.517 19840 1363 1 5 . 1 1 51 51 VAL HA H 51 4.430 4.430 4.575 -0.145 19840 1364 1 5 . 1 1 51 51 VAL CA C 51 59.441 59.441 59.935 -0.494 19840 1365 1 5 . 1 1 51 51 VAL CB C 51 34.108 34.108 33.922 0.186 19840 1366 1 5 . 1 1 51 51 VAL H H 51 7.575 7.575 8.170 -0.595 19840 1367 1 5 . 1 1 52 52 PHE N N 52 119.853 119.853 119.611 0.242 19840 1368 1 5 . 1 1 52 52 PHE HA H 52 4.422 4.422 4.670 -0.248 19840 1369 1 5 . 1 1 52 52 PHE CA C 52 60.310 60.310 57.374 2.936 19840 1370 1 5 . 1 1 52 52 PHE CB C 52 40.650 40.650 41.309 -0.659 19840 1371 1 5 . 1 1 52 52 PHE H H 52 8.221 8.221 8.270 -0.049 19840 1372 1 5 . 1 1 53 53 ILE N N 53 116.505 116.505 119.332 -2.827 19840 1373 1 5 . 1 1 53 53 ILE HA H 53 4.688 4.688 4.638 0.050 19840 1374 1 5 . 1 1 53 53 ILE CA C 53 59.582 59.582 60.500 -0.918 19840 1375 1 5 . 1 1 53 53 ILE CB C 53 41.131 41.131 40.900 0.231 19840 1376 1 5 . 1 1 53 53 ILE H H 53 8.436 8.436 8.189 0.247 19840 1377 1 5 . 1 1 54 54 ASN N N 54 113.329 113.329 118.860 -5.531 19840 1378 1 5 . 1 1 54 54 ASN HA H 54 4.351 4.351 4.462 -0.111 19840 1379 1 5 . 1 1 54 54 ASN CA C 54 54.129 54.129 53.571 0.558 19840 1380 1 5 . 1 1 54 54 ASN CB C 54 37.453 37.453 36.757 0.696 19840 1381 1 5 . 1 1 54 54 ASN H H 54 8.889 8.889 9.053 -0.164 19840 1382 1 5 . 1 1 55 55 GLY N N 55 107.928 107.928 101.285 6.643 19840 1383 1 5 . 1 1 55 55 GLY CA C 55 46.132 46.132 45.689 0.443 19840 1384 1 5 . 1 1 55 55 GLY H H 55 8.911 8.911 8.487 0.424 19840 1385 1 5 . 1 1 56 56 GLU N N 56 119.227 119.227 119.883 -0.656 19840 1386 1 5 . 1 1 56 56 GLU HA H 56 4.590 4.590 4.828 -0.238 19840 1387 1 5 . 1 1 56 56 GLU CA C 56 55.616 55.616 55.911 -0.295 19840 1388 1 5 . 1 1 56 56 GLU CB C 56 30.193 30.193 31.899 -1.706 19840 1389 1 5 . 1 1 56 56 GLU H H 56 7.646 7.646 7.861 -0.215 19840 1390 1 5 . 1 1 57 57 SER N N 57 109.621 109.621 116.556 -6.935 19840 1391 1 5 . 1 1 57 57 SER HA H 57 2.577 2.577 4.162 -1.585 19840 1392 1 5 . 1 1 57 57 SER CA C 57 57.073 57.073 57.077 -0.004 19840 1393 1 5 . 1 1 57 57 SER CB C 57 64.367 64.367 65.343 -0.976 19840 1394 1 5 . 1 1 57 57 SER H H 57 7.939 7.939 8.379 -0.440 19840 1395 1 5 . 1 1 58 58 VAL N N 58 115.887 115.887 118.132 -2.245 19840 1396 1 5 . 1 1 58 58 VAL HA H 58 5.488 5.488 5.018 0.470 19840 1397 1 5 . 1 1 58 58 VAL CA C 58 57.914 57.914 59.895 -1.981 19840 1398 1 5 . 1 1 58 58 VAL CB C 58 34.794 34.794 34.301 0.493 19840 1399 1 5 . 1 1 58 58 VAL H H 58 7.721 7.721 8.007 -0.286 19840 1400 1 5 . 1 1 59 59 GLN N N 59 126.845 126.845 122.882 3.963 19840 1401 1 5 . 1 1 59 59 GLN HA H 59 4.669 4.669 4.816 -0.147 19840 1402 1 5 . 1 1 59 59 GLN CA C 59 53.560 53.560 54.169 -0.609 19840 1403 1 5 . 1 1 59 59 GLN CB C 59 33.889 33.889 32.560 1.329 19840 1404 1 5 . 1 1 59 59 GLN H H 59 9.107 9.107 8.843 0.264 19840 1405 1 5 . 1 1 60 60 SER N N 60 119.479 119.479 118.757 0.722 19840 1406 1 5 . 1 1 60 60 SER HA H 60 4.768 4.768 5.175 -0.407 19840 1407 1 5 . 1 1 60 60 SER CA C 60 58.438 58.438 56.924 1.514 19840 1408 1 5 . 1 1 60 60 SER CB C 60 63.484 63.484 62.906 0.578 19840 1409 1 5 . 1 1 60 60 SER H H 60 8.959 8.959 8.638 0.321 19840 1410 1 5 . 1 1 61 61 GLY N N 61 113.757 113.757 110.482 3.275 19840 1411 1 5 . 1 1 61 61 GLY CA C 61 44.893 44.893 45.590 -0.697 19840 1412 1 5 . 1 1 61 61 GLY H H 61 8.287 8.287 8.438 -0.151 19840 1413 1 5 . 1 1 62 62 GLY N N 62 108.329 108.329 107.648 0.681 19840 1414 1 5 . 1 1 62 62 GLY CA C 62 43.932 43.932 44.578 -0.646 19840 1415 1 5 . 1 1 62 62 GLY H H 62 7.868 7.868 7.525 0.343 19840 1416 1 5 . 1 1 63 63 ARG N N 63 122.424 122.424 121.824 0.600 19840 1417 1 5 . 1 1 63 63 ARG HA H 63 5.229 5.229 5.071 0.158 19840 1418 1 5 . 1 1 63 63 ARG CA C 63 54.037 54.037 53.652 0.385 19840 1419 1 5 . 1 1 63 63 ARG CB C 63 31.849 31.849 31.427 0.422 19840 1420 1 5 . 1 1 63 63 ARG H H 63 8.730 8.730 8.233 0.497 19840 1421 1 6 . 1 1 2 2 CYS N N 2 119.737 119.737 118.565 1.172 19840 1422 1 6 . 1 1 2 2 CYS HA H 2 5.082 5.082 5.054 0.028 19840 1423 1 6 . 1 1 2 2 CYS CA C 2 53.264 53.264 57.138 -3.874 19840 1424 1 6 . 1 1 2 2 CYS CB C 2 39.218 39.218 31.054 8.164 19840 1425 1 6 . 1 1 2 2 CYS H H 2 9.003 9.003 8.922 0.081 19840 1426 1 6 . 1 1 3 3 VAL N N 3 126.716 126.716 120.905 5.811 19840 1427 1 6 . 1 1 3 3 VAL HA H 3 4.177 4.177 4.362 -0.185 19840 1428 1 6 . 1 1 3 3 VAL CA C 3 64.132 64.132 60.782 3.350 19840 1429 1 6 . 1 1 3 3 VAL CB C 3 31.608 31.608 34.588 -2.980 19840 1430 1 6 . 1 1 3 3 VAL H H 3 8.647 8.647 8.513 0.134 19840 1431 1 6 . 1 1 4 4 ALA N N 4 134.327 134.327 128.281 6.046 19840 1432 1 6 . 1 1 4 4 ALA HA H 4 4.773 4.773 4.739 0.034 19840 1433 1 6 . 1 1 4 4 ALA CA C 4 49.964 49.964 50.325 -0.361 19840 1434 1 6 . 1 1 4 4 ALA CB C 4 22.047 22.047 22.348 -0.301 19840 1435 1 6 . 1 1 4 4 ALA H H 4 9.282 9.282 8.774 0.508 19840 1436 1 6 . 1 1 5 5 ASN N N 5 119.560 119.560 119.655 -0.095 19840 1437 1 6 . 1 1 5 5 ASN HA H 5 5.516 5.516 5.354 0.162 19840 1438 1 6 . 1 1 5 5 ASN CA C 5 50.853 50.853 51.919 -1.066 19840 1439 1 6 . 1 1 5 5 ASN CB C 5 40.194 40.194 43.413 -3.219 19840 1440 1 6 . 1 1 5 5 ASN H H 5 8.760 8.760 8.624 0.136 19840 1441 1 6 . 1 1 6 6 ILE N N 6 123.118 123.118 122.399 0.719 19840 1442 1 6 . 1 1 6 6 ILE HA H 6 4.961 4.961 5.066 -0.105 19840 1443 1 6 . 1 1 6 6 ILE CA C 6 57.398 57.398 59.438 -2.040 19840 1444 1 6 . 1 1 6 6 ILE CB C 6 35.561 35.561 39.256 -3.695 19840 1445 1 6 . 1 1 6 6 ILE H H 6 9.093 9.093 8.645 0.448 19840 1446 1 6 . 1 1 7 7 LEU N N 7 128.607 128.607 126.407 2.200 19840 1447 1 6 . 1 1 7 7 LEU HA H 7 5.399 5.399 5.090 0.309 19840 1448 1 6 . 1 1 7 7 LEU CA C 7 52.382 52.382 53.494 -1.112 19840 1449 1 6 . 1 1 7 7 LEU CB C 7 44.218 44.218 44.517 -0.300 19840 1450 1 6 . 1 1 7 7 LEU H H 7 8.896 8.896 9.131 -0.235 19840 1451 1 6 . 1 1 8 8 ASN N N 8 114.552 114.552 119.429 -4.877 19840 1452 1 6 . 1 1 8 8 ASN HA H 8 4.847 4.847 4.921 -0.074 19840 1453 1 6 . 1 1 8 8 ASN CA C 8 50.359 50.359 51.483 -1.124 19840 1454 1 6 . 1 1 8 8 ASN CB C 8 39.476 39.476 39.196 0.280 19840 1455 1 6 . 1 1 8 8 ASN H H 8 8.341 8.341 8.535 -0.194 19840 1456 1 6 . 1 1 9 9 ILE N N 9 120.261 120.261 119.171 1.090 19840 1457 1 6 . 1 1 9 9 ILE HA H 9 4.013 4.013 4.095 -0.082 19840 1458 1 6 . 1 1 9 9 ILE CA C 9 63.509 63.509 63.143 0.366 19840 1459 1 6 . 1 1 9 9 ILE CB C 9 38.538 38.538 38.101 0.437 19840 1460 1 6 . 1 1 9 9 ILE H H 9 8.713 8.713 8.690 0.023 19840 1461 1 6 . 1 1 10 10 ASN N N 10 117.798 117.798 116.673 1.125 19840 1462 1 6 . 1 1 10 10 ASN HA H 10 4.897 4.897 4.786 0.111 19840 1463 1 6 . 1 1 10 10 ASN CA C 10 52.939 52.939 53.046 -0.107 19840 1464 1 6 . 1 1 10 10 ASN CB C 10 38.741 38.741 39.253 -0.512 19840 1465 1 6 . 1 1 10 10 ASN H H 10 7.242 7.242 8.122 -0.880 19840 1466 1 6 . 1 1 11 11 GLU N N 11 112.166 112.166 114.976 -2.810 19840 1467 1 6 . 1 1 11 11 GLU HA H 11 3.548 3.548 3.923 -0.375 19840 1468 1 6 . 1 1 11 11 GLU CA C 11 58.111 58.111 57.507 0.604 19840 1469 1 6 . 1 1 11 11 GLU CB C 11 25.932 25.932 26.867 -0.935 19840 1470 1 6 . 1 1 11 11 GLU H H 11 8.242 8.242 8.192 0.050 19840 1471 1 6 . 1 1 12 12 ALA N N 12 121.641 121.641 121.179 0.462 19840 1472 1 6 . 1 1 12 12 ALA HA H 12 4.502 4.502 4.613 -0.111 19840 1473 1 6 . 1 1 12 12 ALA CA C 12 50.413 50.413 50.719 -0.306 19840 1474 1 6 . 1 1 12 12 ALA CB C 12 19.623 19.623 20.699 -1.076 19840 1475 1 6 . 1 1 12 12 ALA H H 12 7.798 7.798 8.679 -0.881 19840 1476 1 6 . 1 1 13 13 VAL N N 13 121.315 121.315 126.382 -5.067 19840 1477 1 6 . 1 1 13 13 VAL HA H 13 4.076 4.076 4.005 0.071 19840 1478 1 6 . 1 1 13 13 VAL CA C 13 63.484 63.484 64.050 -0.566 19840 1479 1 6 . 1 1 13 13 VAL CB C 13 31.277 31.277 30.890 0.387 19840 1480 1 6 . 1 1 13 13 VAL H H 13 8.512 8.512 8.841 -0.329 19840 1481 1 6 . 1 1 14 14 ILE N N 14 121.921 121.921 123.654 -1.733 19840 1482 1 6 . 1 1 14 14 ILE HA H 14 4.635 4.635 4.569 0.066 19840 1483 1 6 . 1 1 14 14 ILE CA C 14 61.188 61.188 61.020 0.168 19840 1484 1 6 . 1 1 14 14 ILE CB C 14 39.644 39.644 38.593 1.052 19840 1485 1 6 . 1 1 14 14 ILE H H 14 9.293 9.293 9.040 0.253 19840 1486 1 6 . 1 1 15 15 ALA N N 15 123.193 123.193 122.158 1.035 19840 1487 1 6 . 1 1 15 15 ALA HA H 15 4.624 4.624 4.827 -0.203 19840 1488 1 6 . 1 1 15 15 ALA CA C 15 52.546 52.546 51.199 1.347 19840 1489 1 6 . 1 1 15 15 ALA CB C 15 22.693 22.693 22.013 0.680 19840 1490 1 6 . 1 1 15 15 ALA H H 15 7.941 7.941 7.884 0.057 19840 1491 1 6 . 1 1 16 16 THR N N 16 114.723 114.723 111.400 3.323 19840 1492 1 6 . 1 1 16 16 THR HA H 16 5.738 5.738 5.511 0.227 19840 1493 1 6 . 1 1 16 16 THR CA C 16 60.046 60.046 60.438 -0.392 19840 1494 1 6 . 1 1 16 16 THR CB C 16 70.929 70.929 72.368 -1.439 19840 1495 1 6 . 1 1 16 16 THR H H 16 8.582 8.582 8.517 0.065 19840 1496 1 6 . 1 1 17 17 GLY N N 17 111.166 111.166 108.487 2.679 19840 1497 1 6 . 1 1 17 17 GLY CA C 17 45.095 45.095 45.055 0.040 19840 1498 1 6 . 1 1 17 17 GLY H H 17 8.576 8.576 8.426 0.150 19840 1499 1 6 . 1 1 18 18 CYS N N 18 121.493 121.493 120.358 1.135 19840 1500 1 6 . 1 1 18 18 CYS HA H 18 4.930 4.930 4.890 0.040 19840 1501 1 6 . 1 1 18 18 CYS CA C 18 53.999 53.999 57.745 -3.746 19840 1502 1 6 . 1 1 18 18 CYS CB C 18 39.899 39.899 28.115 11.784 19840 1503 1 6 . 1 1 18 18 CYS H H 18 8.622 8.622 8.505 0.117 19840 1504 1 6 . 1 1 19 19 VAL N N 19 131.185 131.185 127.655 3.530 19840 1505 1 6 . 1 1 19 19 VAL HA H 19 4.019 4.019 4.654 -0.635 19840 1506 1 6 . 1 1 19 19 VAL CA C 19 59.537 59.537 58.568 0.969 19840 1507 1 6 . 1 1 19 19 VAL CB C 19 33.825 33.825 34.571 -0.746 19840 1508 1 6 . 1 1 19 19 VAL H H 19 9.414 9.414 9.016 0.398 19840 1509 1 6 . 1 1 20 20 PRO HA H 20 4.012 4.012 4.535 -0.523 19840 1510 1 6 . 1 1 20 20 PRO CA C 20 62.492 62.492 62.473 0.019 19840 1511 1 6 . 1 1 20 20 PRO CB C 20 31.931 31.931 32.306 -0.375 19840 1512 1 6 . 1 1 21 21 ALA N N 21 127.518 127.518 121.544 5.974 19840 1513 1 6 . 1 1 21 21 ALA HA H 21 3.907 3.907 4.254 -0.347 19840 1514 1 6 . 1 1 21 21 ALA CA C 21 53.558 53.558 51.533 2.025 19840 1515 1 6 . 1 1 21 21 ALA CB C 21 17.717 17.717 18.804 -1.087 19840 1516 1 6 . 1 1 21 21 ALA H H 21 8.147 8.147 8.200 -0.053 19840 1517 1 6 . 1 1 22 22 GLY N N 22 114.819 114.819 112.742 2.077 19840 1518 1 6 . 1 1 22 22 GLY CA C 22 46.038 46.038 45.191 0.847 19840 1519 1 6 . 1 1 22 22 GLY H H 22 7.292 7.292 8.766 -1.474 19840 1520 1 6 . 1 1 23 23 GLY N N 23 111.300 111.300 107.599 3.701 19840 1521 1 6 . 1 1 23 23 GLY CA C 23 44.366 44.366 44.098 0.268 19840 1522 1 6 . 1 1 23 23 GLY H H 23 8.204 8.204 7.612 0.592 19840 1523 1 6 . 1 1 24 24 GLU N N 24 116.771 116.771 118.226 -1.455 19840 1524 1 6 . 1 1 24 24 GLU HA H 24 5.594 5.594 5.237 0.357 19840 1525 1 6 . 1 1 24 24 GLU CA C 24 53.749 53.749 55.600 -1.851 19840 1526 1 6 . 1 1 24 24 GLU CB C 24 35.193 35.193 33.218 1.975 19840 1527 1 6 . 1 1 24 24 GLU H H 24 8.131 8.131 8.400 -0.269 19840 1528 1 6 . 1 1 25 25 LEU N N 25 121.029 121.029 123.763 -2.734 19840 1529 1 6 . 1 1 25 25 LEU HA H 25 4.465 4.465 4.681 -0.216 19840 1530 1 6 . 1 1 25 25 LEU CA C 25 54.586 54.586 54.044 0.542 19840 1531 1 6 . 1 1 25 25 LEU CB C 25 49.054 49.054 46.553 2.501 19840 1532 1 6 . 1 1 25 25 LEU H H 25 8.899 8.899 8.886 0.013 19840 1533 1 6 . 1 1 26 26 ARG N N 26 128.131 128.131 124.346 3.785 19840 1534 1 6 . 1 1 26 26 ARG HA H 26 4.864 4.864 4.606 0.258 19840 1535 1 6 . 1 1 26 26 ARG CA C 26 55.359 55.359 55.704 -0.345 19840 1536 1 6 . 1 1 26 26 ARG CB C 26 29.623 29.623 30.660 -1.037 19840 1537 1 6 . 1 1 26 26 ARG H H 26 8.604 8.604 8.492 0.112 19840 1538 1 6 . 1 1 27 27 ILE N N 27 129.246 129.246 126.326 2.920 19840 1539 1 6 . 1 1 27 27 ILE HA H 27 4.202 4.202 3.853 0.349 19840 1540 1 6 . 1 1 27 27 ILE CA C 27 60.765 60.765 59.988 0.777 19840 1541 1 6 . 1 1 27 27 ILE CB C 27 40.383 40.383 40.436 -0.053 19840 1542 1 6 . 1 1 27 27 ILE H H 27 9.029 9.029 8.494 0.535 19840 1543 1 6 . 1 1 28 28 PHE N N 28 127.383 127.383 124.556 2.827 19840 1544 1 6 . 1 1 28 28 PHE HA H 28 3.968 3.968 4.780 -0.812 19840 1545 1 6 . 1 1 28 28 PHE CA C 28 58.921 58.921 56.283 2.638 19840 1546 1 6 . 1 1 28 28 PHE CB C 28 39.444 39.444 38.435 1.009 19840 1547 1 6 . 1 1 28 28 PHE H H 28 8.885 8.885 8.056 0.829 19840 1548 1 6 . 1 1 29 29 VAL N N 29 124.164 124.164 124.806 -0.642 19840 1549 1 6 . 1 1 29 29 VAL HA H 29 3.887 3.887 4.261 -0.374 19840 1550 1 6 . 1 1 29 29 VAL CA C 29 61.099 61.099 61.938 -0.839 19840 1551 1 6 . 1 1 29 29 VAL CB C 29 30.194 30.194 31.029 -0.835 19840 1552 1 6 . 1 1 29 29 VAL H H 29 8.396 8.396 8.350 0.046 19840 1553 1 6 . 1 1 30 30 GLY N N 30 113.336 113.336 117.773 -4.437 19840 1554 1 6 . 1 1 30 30 GLY CA C 30 46.252 46.252 45.777 0.475 19840 1555 1 6 . 1 1 30 30 GLY H H 30 8.376 8.376 8.382 -0.006 19840 1556 1 6 . 1 1 31 31 SER H H 31 8.290 8.290 8.688 -0.398 19840 1557 1 6 . 1 1 32 32 SER N N 32 114.602 114.602 116.586 -1.984 19840 1558 1 6 . 1 1 32 32 SER HA H 32 4.572 4.572 4.690 -0.118 19840 1559 1 6 . 1 1 32 32 SER CA C 32 59.632 59.632 58.700 0.932 19840 1560 1 6 . 1 1 32 32 SER CB C 32 64.882 64.882 63.693 1.189 19840 1561 1 6 . 1 1 32 32 SER H H 32 8.344 8.344 8.427 -0.083 19840 1562 1 6 . 1 1 33 33 HIS N N 33 114.790 114.790 119.919 -5.129 19840 1563 1 6 . 1 1 33 33 HIS HA H 33 4.881 4.881 4.677 0.204 19840 1564 1 6 . 1 1 33 33 HIS CA C 33 55.139 55.139 55.360 -0.221 19840 1565 1 6 . 1 1 33 33 HIS CB C 33 29.454 29.454 31.266 -1.812 19840 1566 1 6 . 1 1 33 33 HIS H H 33 7.586 7.586 8.074 -0.488 19840 1567 1 6 . 1 1 34 34 SER N N 34 112.452 112.452 121.179 -8.727 19840 1568 1 6 . 1 1 34 34 SER HA H 34 4.651 4.651 5.132 -0.481 19840 1569 1 6 . 1 1 34 34 SER CA C 34 56.296 56.296 57.269 -0.973 19840 1570 1 6 . 1 1 34 34 SER CB C 34 66.406 66.406 66.118 0.288 19840 1571 1 6 . 1 1 34 34 SER H H 34 8.169 8.169 8.282 -0.113 19840 1572 1 6 . 1 1 35 35 TYR N N 35 116.118 116.118 120.058 -3.940 19840 1573 1 6 . 1 1 35 35 TYR HA H 35 5.047 5.047 4.779 0.268 19840 1574 1 6 . 1 1 35 35 TYR CA C 35 55.601 55.601 57.341 -1.740 19840 1575 1 6 . 1 1 35 35 TYR CB C 35 43.070 43.070 42.545 0.525 19840 1576 1 6 . 1 1 35 35 TYR H H 35 8.493 8.493 8.711 -0.218 19840 1577 1 6 . 1 1 36 36 LEU N N 36 125.430 125.430 126.242 -0.812 19840 1578 1 6 . 1 1 36 36 LEU HA H 36 4.565 4.565 4.639 -0.074 19840 1579 1 6 . 1 1 36 36 LEU CA C 36 53.796 53.796 54.995 -1.199 19840 1580 1 6 . 1 1 36 36 LEU CB C 36 41.810 41.810 43.131 -1.321 19840 1581 1 6 . 1 1 36 36 LEU H H 36 8.476 8.476 8.915 -0.439 19840 1582 1 6 . 1 1 37 37 ILE N N 37 129.763 129.763 127.007 2.756 19840 1583 1 6 . 1 1 37 37 ILE HA H 37 4.607 4.607 5.049 -0.442 19840 1584 1 6 . 1 1 37 37 ILE CA C 37 57.337 57.337 58.011 -0.673 19840 1585 1 6 . 1 1 37 37 ILE CB C 37 37.601 37.601 38.826 -1.225 19840 1586 1 6 . 1 1 37 37 ILE H H 37 8.512 8.512 9.124 -0.612 19840 1587 1 6 . 1 1 38 38 LYS N N 38 125.927 125.927 126.831 -0.904 19840 1588 1 6 . 1 1 38 38 LYS HA H 38 4.958 4.958 4.970 -0.012 19840 1589 1 6 . 1 1 38 38 LYS CA C 38 54.054 54.054 54.402 -0.348 19840 1590 1 6 . 1 1 38 38 LYS CB C 38 34.807 34.807 33.881 0.926 19840 1591 1 6 . 1 1 38 38 LYS H H 38 8.849 8.849 9.103 -0.254 19840 1592 1 6 . 1 1 39 39 ALA N N 39 124.260 124.260 128.159 -3.899 19840 1593 1 6 . 1 1 39 39 ALA HA H 39 5.671 5.671 5.295 0.376 19840 1594 1 6 . 1 1 39 39 ALA CA C 39 49.202 49.202 49.999 -0.797 19840 1595 1 6 . 1 1 39 39 ALA CB C 39 23.170 23.170 21.024 2.146 19840 1596 1 6 . 1 1 39 39 ALA H H 39 8.498 8.498 9.026 -0.528 19840 1597 1 6 . 1 1 40 40 THR N N 40 112.492 112.492 116.632 -4.140 19840 1598 1 6 . 1 1 40 40 THR HA H 40 4.651 4.651 4.522 0.129 19840 1599 1 6 . 1 1 40 40 THR CA C 40 60.482 60.482 60.565 -0.083 19840 1600 1 6 . 1 1 40 40 THR CB C 40 71.335 71.335 70.000 1.335 19840 1601 1 6 . 1 1 40 40 THR H H 40 8.996 8.996 8.454 0.542 19840 1602 1 6 . 1 1 41 41 SER H H 41 8.288 8.288 8.684 -0.396 19840 1603 1 6 . 1 1 42 42 SER N N 42 113.261 113.261 115.209 -1.948 19840 1604 1 6 . 1 1 42 42 SER HA H 42 4.636 4.636 4.595 0.041 19840 1605 1 6 . 1 1 42 42 SER CA C 42 57.101 57.101 57.891 -0.790 19840 1606 1 6 . 1 1 42 42 SER CB C 42 62.842 62.842 63.390 -0.548 19840 1607 1 6 . 1 1 42 42 SER H H 42 7.629 7.629 7.719 -0.090 19840 1608 1 6 . 1 1 43 43 CYS N N 43 111.527 111.527 118.236 -6.709 19840 1609 1 6 . 1 1 43 43 CYS HA H 43 4.311 4.311 4.129 0.182 19840 1610 1 6 . 1 1 43 43 CYS CA C 43 54.093 54.093 59.533 -5.440 19840 1611 1 6 . 1 1 43 43 CYS CB C 43 32.030 32.030 25.087 6.943 19840 1612 1 6 . 1 1 43 43 CYS H H 43 8.008 8.008 7.630 0.378 19840 1613 1 6 . 1 1 44 44 GLY N N 44 107.262 107.262 107.950 -0.688 19840 1614 1 6 . 1 1 44 44 GLY CA C 44 45.585 45.585 44.731 0.854 19840 1615 1 6 . 1 1 44 44 GLY H H 44 8.222 8.222 7.788 0.434 19840 1616 1 6 . 1 1 45 45 LEU N N 45 127.185 127.185 125.452 1.733 19840 1617 1 6 . 1 1 45 45 LEU HA H 45 5.586 5.586 5.296 0.290 19840 1618 1 6 . 1 1 45 45 LEU CA C 45 53.741 53.741 54.579 -0.838 19840 1619 1 6 . 1 1 45 45 LEU CB C 45 44.311 44.311 43.139 1.173 19840 1620 1 6 . 1 1 45 45 LEU H H 45 8.684 8.684 8.421 0.263 19840 1621 1 6 . 1 1 46 46 SER N N 46 114.241 114.241 116.534 -2.293 19840 1622 1 6 . 1 1 46 46 SER HA H 46 4.595 4.595 4.615 -0.020 19840 1623 1 6 . 1 1 46 46 SER CA C 46 57.466 57.466 57.719 -0.253 19840 1624 1 6 . 1 1 46 46 SER CB C 46 65.844 65.844 65.472 0.372 19840 1625 1 6 . 1 1 46 46 SER H H 46 8.856 8.856 7.999 0.857 19840 1626 1 6 . 1 1 47 47 LEU N N 47 120.302 120.302 121.887 -1.585 19840 1627 1 6 . 1 1 47 47 LEU HA H 47 4.756 4.756 5.019 -0.263 19840 1628 1 6 . 1 1 47 47 LEU CA C 47 53.725 53.725 54.067 -0.342 19840 1629 1 6 . 1 1 47 47 LEU CB C 47 43.078 43.078 45.328 -2.249 19840 1630 1 6 . 1 1 47 47 LEU H H 47 8.482 8.482 8.385 0.097 19840 1631 1 6 . 1 1 48 48 THR N N 48 119.533 119.533 122.103 -2.570 19840 1632 1 6 . 1 1 48 48 THR HA H 48 4.211 4.211 4.202 0.009 19840 1633 1 6 . 1 1 48 48 THR CA C 48 63.095 63.095 63.567 -0.472 19840 1634 1 6 . 1 1 48 48 THR CB C 48 69.170 69.170 67.968 1.202 19840 1635 1 6 . 1 1 48 48 THR H H 48 8.472 8.472 8.830 -0.358 19840 1636 1 6 . 1 1 49 49 ASN N N 49 120.348 120.348 118.741 1.607 19840 1637 1 6 . 1 1 49 49 ASN HA H 49 4.511 4.511 4.310 0.201 19840 1638 1 6 . 1 1 49 49 ASN CA C 49 53.577 53.577 54.510 -0.932 19840 1639 1 6 . 1 1 49 49 ASN CB C 49 37.381 37.381 37.648 -0.267 19840 1640 1 6 . 1 1 49 49 ASN H H 49 8.967 8.967 8.255 0.712 19840 1641 1 6 . 1 1 50 50 GLN N N 50 114.907 114.907 117.322 -2.415 19840 1642 1 6 . 1 1 50 50 GLN HA H 50 4.672 4.672 4.602 0.070 19840 1643 1 6 . 1 1 50 50 GLN CA C 50 54.515 54.515 55.280 -0.765 19840 1644 1 6 . 1 1 50 50 GLN CB C 50 34.947 34.947 30.480 4.468 19840 1645 1 6 . 1 1 50 50 GLN H H 50 7.207 7.207 8.013 -0.806 19840 1646 1 6 . 1 1 51 51 VAL N N 51 112.350 112.350 115.031 -2.681 19840 1647 1 6 . 1 1 51 51 VAL HA H 51 4.430 4.430 4.568 -0.138 19840 1648 1 6 . 1 1 51 51 VAL CA C 51 59.441 59.441 61.177 -1.736 19840 1649 1 6 . 1 1 51 51 VAL CB C 51 34.108 34.108 33.431 0.677 19840 1650 1 6 . 1 1 51 51 VAL H H 51 7.575 7.575 8.280 -0.705 19840 1651 1 6 . 1 1 52 52 PHE N N 52 119.853 119.853 125.671 -5.818 19840 1652 1 6 . 1 1 52 52 PHE HA H 52 4.422 4.422 4.737 -0.315 19840 1653 1 6 . 1 1 52 52 PHE CA C 52 60.310 60.310 57.439 2.871 19840 1654 1 6 . 1 1 52 52 PHE CB C 52 40.650 40.650 39.760 0.890 19840 1655 1 6 . 1 1 52 52 PHE H H 52 8.221 8.221 8.525 -0.304 19840 1656 1 6 . 1 1 53 53 ILE N N 53 116.505 116.505 121.660 -5.155 19840 1657 1 6 . 1 1 53 53 ILE HA H 53 4.688 4.688 4.025 0.663 19840 1658 1 6 . 1 1 53 53 ILE CA C 53 59.582 59.582 59.941 -0.359 19840 1659 1 6 . 1 1 53 53 ILE CB C 53 41.131 41.131 40.778 0.353 19840 1660 1 6 . 1 1 53 53 ILE H H 53 8.436 8.436 7.826 0.610 19840 1661 1 6 . 1 1 54 54 ASN N N 54 113.329 113.329 119.472 -6.143 19840 1662 1 6 . 1 1 54 54 ASN HA H 54 4.351 4.351 4.347 0.004 19840 1663 1 6 . 1 1 54 54 ASN CA C 54 54.129 54.129 53.825 0.304 19840 1664 1 6 . 1 1 54 54 ASN CB C 54 37.453 37.453 37.110 0.343 19840 1665 1 6 . 1 1 54 54 ASN H H 54 8.889 8.889 8.848 0.041 19840 1666 1 6 . 1 1 55 55 GLY N N 55 107.928 107.928 101.962 5.966 19840 1667 1 6 . 1 1 55 55 GLY CA C 55 46.132 46.132 45.726 0.406 19840 1668 1 6 . 1 1 55 55 GLY H H 55 8.911 8.911 7.996 0.915 19840 1669 1 6 . 1 1 56 56 GLU N N 56 119.227 119.227 120.968 -1.741 19840 1670 1 6 . 1 1 56 56 GLU HA H 56 4.590 4.590 5.054 -0.464 19840 1671 1 6 . 1 1 56 56 GLU CA C 56 55.616 55.616 56.443 -0.827 19840 1672 1 6 . 1 1 56 56 GLU CB C 56 30.193 30.193 31.136 -0.943 19840 1673 1 6 . 1 1 56 56 GLU H H 56 7.646 7.646 7.845 -0.199 19840 1674 1 6 . 1 1 57 57 SER N N 57 109.621 109.621 119.580 -9.959 19840 1675 1 6 . 1 1 57 57 SER HA H 57 2.577 2.577 4.874 -2.297 19840 1676 1 6 . 1 1 57 57 SER CA C 57 57.073 57.073 56.781 0.292 19840 1677 1 6 . 1 1 57 57 SER CB C 57 64.367 64.367 65.725 -1.358 19840 1678 1 6 . 1 1 57 57 SER H H 57 7.939 7.939 8.762 -0.823 19840 1679 1 6 . 1 1 58 58 VAL N N 58 115.887 115.887 120.455 -4.568 19840 1680 1 6 . 1 1 58 58 VAL HA H 58 5.488 5.488 5.012 0.476 19840 1681 1 6 . 1 1 58 58 VAL CA C 58 57.914 57.914 60.755 -2.841 19840 1682 1 6 . 1 1 58 58 VAL CB C 58 34.794 34.794 33.824 0.970 19840 1683 1 6 . 1 1 58 58 VAL H H 58 7.721 7.721 8.320 -0.599 19840 1684 1 6 . 1 1 59 59 GLN N N 59 126.845 126.845 125.446 1.399 19840 1685 1 6 . 1 1 59 59 GLN HA H 59 4.669 4.669 4.608 0.061 19840 1686 1 6 . 1 1 59 59 GLN CA C 59 53.560 53.560 54.091 -0.531 19840 1687 1 6 . 1 1 59 59 GLN CB C 59 33.889 33.889 33.838 0.051 19840 1688 1 6 . 1 1 59 59 GLN H H 59 9.107 9.107 8.982 0.125 19840 1689 1 6 . 1 1 60 60 SER N N 60 119.479 119.479 118.902 0.577 19840 1690 1 6 . 1 1 60 60 SER HA H 60 4.768 4.768 4.817 -0.049 19840 1691 1 6 . 1 1 60 60 SER CA C 60 58.438 58.438 58.454 -0.016 19840 1692 1 6 . 1 1 60 60 SER CB C 60 63.484 63.484 63.323 0.161 19840 1693 1 6 . 1 1 60 60 SER H H 60 8.959 8.959 8.726 0.233 19840 1694 1 6 . 1 1 61 61 GLY N N 61 113.757 113.757 111.889 1.868 19840 1695 1 6 . 1 1 61 61 GLY CA C 61 44.893 44.893 45.516 -0.623 19840 1696 1 6 . 1 1 61 61 GLY H H 61 8.287 8.287 8.402 -0.115 19840 1697 1 6 . 1 1 62 62 GLY N N 62 108.329 108.329 107.653 0.676 19840 1698 1 6 . 1 1 62 62 GLY CA C 62 43.932 43.932 44.539 -0.608 19840 1699 1 6 . 1 1 62 62 GLY H H 62 7.868 7.868 7.492 0.376 19840 1700 1 6 . 1 1 63 63 ARG N N 63 122.424 122.424 121.108 1.316 19840 1701 1 6 . 1 1 63 63 ARG HA H 63 5.229 5.229 4.800 0.429 19840 1702 1 6 . 1 1 63 63 ARG CA C 63 54.037 54.037 53.681 0.356 19840 1703 1 6 . 1 1 63 63 ARG CB C 63 31.849 31.849 31.117 0.732 19840 1704 1 6 . 1 1 63 63 ARG H H 63 8.730 8.730 8.183 0.547 19840 1705 1 7 . 1 1 2 2 CYS N N 2 119.737 119.737 117.900 1.837 19840 1706 1 7 . 1 1 2 2 CYS HA H 2 5.082 5.082 5.465 -0.383 19840 1707 1 7 . 1 1 2 2 CYS CA C 2 53.264 53.264 57.774 -4.510 19840 1708 1 7 . 1 1 2 2 CYS CB C 2 39.218 39.218 31.331 7.888 19840 1709 1 7 . 1 1 2 2 CYS H H 2 9.003 9.003 8.989 0.014 19840 1710 1 7 . 1 1 3 3 VAL N N 3 126.716 126.716 119.883 6.833 19840 1711 1 7 . 1 1 3 3 VAL HA H 3 4.177 4.177 4.509 -0.332 19840 1712 1 7 . 1 1 3 3 VAL CA C 3 64.132 64.132 60.813 3.319 19840 1713 1 7 . 1 1 3 3 VAL CB C 3 31.608 31.608 33.931 -2.323 19840 1714 1 7 . 1 1 3 3 VAL H H 3 8.647 8.647 8.442 0.205 19840 1715 1 7 . 1 1 4 4 ALA N N 4 134.327 134.327 130.088 4.239 19840 1716 1 7 . 1 1 4 4 ALA HA H 4 4.773 4.773 4.702 0.071 19840 1717 1 7 . 1 1 4 4 ALA CA C 4 49.964 49.964 50.460 -0.496 19840 1718 1 7 . 1 1 4 4 ALA CB C 4 22.047 22.047 21.924 0.123 19840 1719 1 7 . 1 1 4 4 ALA H H 4 9.282 9.282 8.832 0.450 19840 1720 1 7 . 1 1 5 5 ASN N N 5 119.560 119.560 121.322 -1.762 19840 1721 1 7 . 1 1 5 5 ASN HA H 5 5.516 5.516 5.414 0.102 19840 1722 1 7 . 1 1 5 5 ASN CA C 5 50.853 50.853 52.291 -1.438 19840 1723 1 7 . 1 1 5 5 ASN CB C 5 40.194 40.194 43.400 -3.205 19840 1724 1 7 . 1 1 5 5 ASN H H 5 8.760 8.760 8.671 0.089 19840 1725 1 7 . 1 1 6 6 ILE N N 6 123.118 123.118 122.869 0.249 19840 1726 1 7 . 1 1 6 6 ILE HA H 6 4.961 4.961 5.035 -0.074 19840 1727 1 7 . 1 1 6 6 ILE CA C 6 57.398 57.398 59.338 -1.940 19840 1728 1 7 . 1 1 6 6 ILE CB C 6 35.561 35.561 39.042 -3.481 19840 1729 1 7 . 1 1 6 6 ILE H H 6 9.093 9.093 8.985 0.108 19840 1730 1 7 . 1 1 7 7 LEU N N 7 128.607 128.607 126.217 2.390 19840 1731 1 7 . 1 1 7 7 LEU HA H 7 5.399 5.399 5.079 0.320 19840 1732 1 7 . 1 1 7 7 LEU CA C 7 52.382 52.382 53.471 -1.089 19840 1733 1 7 . 1 1 7 7 LEU CB C 7 44.218 44.218 44.527 -0.309 19840 1734 1 7 . 1 1 7 7 LEU H H 7 8.896 8.896 8.956 -0.060 19840 1735 1 7 . 1 1 8 8 ASN N N 8 114.552 114.552 120.246 -5.694 19840 1736 1 7 . 1 1 8 8 ASN HA H 8 4.847 4.847 4.854 -0.007 19840 1737 1 7 . 1 1 8 8 ASN CA C 8 50.359 50.359 51.258 -0.899 19840 1738 1 7 . 1 1 8 8 ASN CB C 8 39.476 39.476 39.026 0.450 19840 1739 1 7 . 1 1 8 8 ASN H H 8 8.341 8.341 8.441 -0.100 19840 1740 1 7 . 1 1 9 9 ILE N N 9 120.261 120.261 118.682 1.579 19840 1741 1 7 . 1 1 9 9 ILE HA H 9 4.013 4.013 3.905 0.108 19840 1742 1 7 . 1 1 9 9 ILE CA C 9 63.509 63.509 63.633 -0.124 19840 1743 1 7 . 1 1 9 9 ILE CB C 9 38.538 38.538 38.242 0.296 19840 1744 1 7 . 1 1 9 9 ILE H H 9 8.713 8.713 8.562 0.151 19840 1745 1 7 . 1 1 10 10 ASN N N 10 117.798 117.798 116.725 1.073 19840 1746 1 7 . 1 1 10 10 ASN HA H 10 4.897 4.897 4.740 0.157 19840 1747 1 7 . 1 1 10 10 ASN CA C 10 52.939 52.939 52.431 0.508 19840 1748 1 7 . 1 1 10 10 ASN CB C 10 38.741 38.741 38.606 0.135 19840 1749 1 7 . 1 1 10 10 ASN H H 10 7.242 7.242 7.996 -0.754 19840 1750 1 7 . 1 1 11 11 GLU N N 11 112.166 112.166 115.184 -3.018 19840 1751 1 7 . 1 1 11 11 GLU HA H 11 3.548 3.548 3.851 -0.303 19840 1752 1 7 . 1 1 11 11 GLU CA C 11 58.111 58.111 57.685 0.426 19840 1753 1 7 . 1 1 11 11 GLU CB C 11 25.932 25.932 27.129 -1.197 19840 1754 1 7 . 1 1 11 11 GLU H H 11 8.242 8.242 8.205 0.037 19840 1755 1 7 . 1 1 12 12 ALA N N 12 121.641 121.641 121.076 0.565 19840 1756 1 7 . 1 1 12 12 ALA HA H 12 4.502 4.502 4.612 -0.110 19840 1757 1 7 . 1 1 12 12 ALA CA C 12 50.413 50.413 50.654 -0.241 19840 1758 1 7 . 1 1 12 12 ALA CB C 12 19.623 19.623 20.680 -1.057 19840 1759 1 7 . 1 1 12 12 ALA H H 12 7.798 7.798 8.791 -0.994 19840 1760 1 7 . 1 1 13 13 VAL N N 13 121.315 121.315 126.276 -4.961 19840 1761 1 7 . 1 1 13 13 VAL HA H 13 4.076 4.076 4.013 0.063 19840 1762 1 7 . 1 1 13 13 VAL CA C 13 63.484 63.484 64.677 -1.194 19840 1763 1 7 . 1 1 13 13 VAL CB C 13 31.277 31.277 30.538 0.739 19840 1764 1 7 . 1 1 13 13 VAL H H 13 8.512 8.512 8.815 -0.303 19840 1765 1 7 . 1 1 14 14 ILE N N 14 121.921 121.921 122.965 -1.044 19840 1766 1 7 . 1 1 14 14 ILE HA H 14 4.635 4.635 4.530 0.105 19840 1767 1 7 . 1 1 14 14 ILE CA C 14 61.188 61.188 60.922 0.266 19840 1768 1 7 . 1 1 14 14 ILE CB C 14 39.644 39.644 38.801 0.843 19840 1769 1 7 . 1 1 14 14 ILE H H 14 9.293 9.293 9.052 0.241 19840 1770 1 7 . 1 1 15 15 ALA N N 15 123.193 123.193 121.475 1.718 19840 1771 1 7 . 1 1 15 15 ALA HA H 15 4.624 4.624 4.914 -0.290 19840 1772 1 7 . 1 1 15 15 ALA CA C 15 52.546 52.546 51.444 1.102 19840 1773 1 7 . 1 1 15 15 ALA CB C 15 22.693 22.693 22.213 0.480 19840 1774 1 7 . 1 1 15 15 ALA H H 15 7.941 7.941 7.800 0.141 19840 1775 1 7 . 1 1 16 16 THR N N 16 114.723 114.723 114.699 0.024 19840 1776 1 7 . 1 1 16 16 THR HA H 16 5.738 5.738 5.364 0.374 19840 1777 1 7 . 1 1 16 16 THR CA C 16 60.046 60.046 60.934 -0.888 19840 1778 1 7 . 1 1 16 16 THR CB C 16 70.929 70.929 71.115 -0.186 19840 1779 1 7 . 1 1 16 16 THR H H 16 8.582 8.582 8.629 -0.047 19840 1780 1 7 . 1 1 17 17 GLY N N 17 111.166 111.166 110.768 0.398 19840 1781 1 7 . 1 1 17 17 GLY CA C 17 45.095 45.095 45.062 0.033 19840 1782 1 7 . 1 1 17 17 GLY H H 17 8.576 8.576 8.336 0.240 19840 1783 1 7 . 1 1 18 18 CYS N N 18 121.493 121.493 120.376 1.117 19840 1784 1 7 . 1 1 18 18 CYS HA H 18 4.930 4.930 5.003 -0.073 19840 1785 1 7 . 1 1 18 18 CYS CA C 18 53.999 53.999 57.834 -3.834 19840 1786 1 7 . 1 1 18 18 CYS CB C 18 39.899 39.899 28.014 11.885 19840 1787 1 7 . 1 1 18 18 CYS H H 18 8.622 8.622 8.550 0.072 19840 1788 1 7 . 1 1 19 19 VAL N N 19 131.185 131.185 127.276 3.909 19840 1789 1 7 . 1 1 19 19 VAL HA H 19 4.019 4.019 4.666 -0.647 19840 1790 1 7 . 1 1 19 19 VAL CA C 19 59.537 59.537 58.567 0.970 19840 1791 1 7 . 1 1 19 19 VAL CB C 19 33.825 33.825 34.795 -0.970 19840 1792 1 7 . 1 1 19 19 VAL H H 19 9.414 9.414 9.144 0.270 19840 1793 1 7 . 1 1 20 20 PRO HA H 20 4.012 4.012 4.431 -0.419 19840 1794 1 7 . 1 1 20 20 PRO CA C 20 62.492 62.492 62.455 0.037 19840 1795 1 7 . 1 1 20 20 PRO CB C 20 31.931 31.931 32.409 -0.478 19840 1796 1 7 . 1 1 21 21 ALA N N 21 127.518 127.518 121.089 6.429 19840 1797 1 7 . 1 1 21 21 ALA HA H 21 3.907 3.907 4.208 -0.301 19840 1798 1 7 . 1 1 21 21 ALA CA C 21 53.558 53.558 51.949 1.609 19840 1799 1 7 . 1 1 21 21 ALA CB C 21 17.717 17.717 18.903 -1.186 19840 1800 1 7 . 1 1 21 21 ALA H H 21 8.147 8.147 8.071 0.076 19840 1801 1 7 . 1 1 22 22 GLY N N 22 114.819 114.819 112.800 2.019 19840 1802 1 7 . 1 1 22 22 GLY CA C 22 46.038 46.038 45.306 0.732 19840 1803 1 7 . 1 1 22 22 GLY H H 22 7.292 7.292 8.695 -1.403 19840 1804 1 7 . 1 1 23 23 GLY N N 23 111.300 111.300 108.305 2.995 19840 1805 1 7 . 1 1 23 23 GLY CA C 23 44.366 44.366 44.416 -0.050 19840 1806 1 7 . 1 1 23 23 GLY H H 23 8.204 8.204 7.645 0.559 19840 1807 1 7 . 1 1 24 24 GLU N N 24 116.771 116.771 118.378 -1.607 19840 1808 1 7 . 1 1 24 24 GLU HA H 24 5.594 5.594 5.018 0.576 19840 1809 1 7 . 1 1 24 24 GLU CA C 24 53.749 53.749 55.796 -2.047 19840 1810 1 7 . 1 1 24 24 GLU CB C 24 35.193 35.193 32.926 2.267 19840 1811 1 7 . 1 1 24 24 GLU H H 24 8.131 8.131 8.310 -0.179 19840 1812 1 7 . 1 1 25 25 LEU N N 25 121.029 121.029 122.197 -1.168 19840 1813 1 7 . 1 1 25 25 LEU HA H 25 4.465 4.465 4.645 -0.180 19840 1814 1 7 . 1 1 25 25 LEU CA C 25 54.586 54.586 54.196 0.390 19840 1815 1 7 . 1 1 25 25 LEU CB C 25 49.054 49.054 47.030 2.024 19840 1816 1 7 . 1 1 25 25 LEU H H 25 8.899 8.899 8.957 -0.058 19840 1817 1 7 . 1 1 26 26 ARG N N 26 128.131 128.131 123.903 4.228 19840 1818 1 7 . 1 1 26 26 ARG HA H 26 4.864 4.864 4.841 0.023 19840 1819 1 7 . 1 1 26 26 ARG CA C 26 55.359 55.359 55.252 0.107 19840 1820 1 7 . 1 1 26 26 ARG CB C 26 29.623 29.623 31.088 -1.465 19840 1821 1 7 . 1 1 26 26 ARG H H 26 8.604 8.604 8.427 0.177 19840 1822 1 7 . 1 1 27 27 ILE N N 27 129.246 129.246 125.249 3.997 19840 1823 1 7 . 1 1 27 27 ILE HA H 27 4.202 4.202 3.970 0.232 19840 1824 1 7 . 1 1 27 27 ILE CA C 27 60.765 60.765 59.773 0.992 19840 1825 1 7 . 1 1 27 27 ILE CB C 27 40.383 40.383 40.867 -0.484 19840 1826 1 7 . 1 1 27 27 ILE H H 27 9.029 9.029 8.750 0.279 19840 1827 1 7 . 1 1 28 28 PHE N N 28 127.383 127.383 124.551 2.832 19840 1828 1 7 . 1 1 28 28 PHE HA H 28 3.968 3.968 4.787 -0.819 19840 1829 1 7 . 1 1 28 28 PHE CA C 28 58.921 58.921 57.133 1.788 19840 1830 1 7 . 1 1 28 28 PHE CB C 28 39.444 39.444 38.390 1.054 19840 1831 1 7 . 1 1 28 28 PHE H H 28 8.885 8.885 8.217 0.668 19840 1832 1 7 . 1 1 29 29 VAL N N 29 124.164 124.164 124.764 -0.600 19840 1833 1 7 . 1 1 29 29 VAL HA H 29 3.887 3.887 4.232 -0.345 19840 1834 1 7 . 1 1 29 29 VAL CA C 29 61.099 61.099 61.831 -0.732 19840 1835 1 7 . 1 1 29 29 VAL CB C 29 30.194 30.194 31.849 -1.655 19840 1836 1 7 . 1 1 29 29 VAL H H 29 8.396 8.396 8.259 0.137 19840 1837 1 7 . 1 1 30 30 GLY N N 30 113.336 113.336 116.969 -3.633 19840 1838 1 7 . 1 1 30 30 GLY CA C 30 46.252 46.252 45.465 0.787 19840 1839 1 7 . 1 1 30 30 GLY H H 30 8.376 8.376 8.598 -0.222 19840 1840 1 7 . 1 1 31 31 SER H H 31 8.290 8.290 8.872 -0.582 19840 1841 1 7 . 1 1 32 32 SER N N 32 114.602 114.602 117.313 -2.711 19840 1842 1 7 . 1 1 32 32 SER HA H 32 4.572 4.572 4.681 -0.109 19840 1843 1 7 . 1 1 32 32 SER CA C 32 59.632 59.632 58.505 1.127 19840 1844 1 7 . 1 1 32 32 SER CB C 32 64.882 64.882 64.059 0.823 19840 1845 1 7 . 1 1 32 32 SER H H 32 8.344 8.344 8.363 -0.019 19840 1846 1 7 . 1 1 33 33 HIS N N 33 114.790 114.790 119.843 -5.053 19840 1847 1 7 . 1 1 33 33 HIS HA H 33 4.881 4.881 4.724 0.157 19840 1848 1 7 . 1 1 33 33 HIS CA C 33 55.139 55.139 55.549 -0.410 19840 1849 1 7 . 1 1 33 33 HIS CB C 33 29.454 29.454 33.243 -3.789 19840 1850 1 7 . 1 1 33 33 HIS H H 33 7.586 7.586 7.961 -0.375 19840 1851 1 7 . 1 1 34 34 SER N N 34 112.452 112.452 115.202 -2.750 19840 1852 1 7 . 1 1 34 34 SER HA H 34 4.651 4.651 5.270 -0.619 19840 1853 1 7 . 1 1 34 34 SER CA C 34 56.296 56.296 57.509 -1.213 19840 1854 1 7 . 1 1 34 34 SER CB C 34 66.406 66.406 66.441 -0.035 19840 1855 1 7 . 1 1 34 34 SER H H 34 8.169 8.169 8.404 -0.235 19840 1856 1 7 . 1 1 35 35 TYR N N 35 116.118 116.118 119.830 -3.712 19840 1857 1 7 . 1 1 35 35 TYR HA H 35 5.047 5.047 4.818 0.229 19840 1858 1 7 . 1 1 35 35 TYR CA C 35 55.601 55.601 57.700 -2.099 19840 1859 1 7 . 1 1 35 35 TYR CB C 35 43.070 43.070 43.166 -0.096 19840 1860 1 7 . 1 1 35 35 TYR H H 35 8.493 8.493 8.847 -0.354 19840 1861 1 7 . 1 1 36 36 LEU N N 36 125.430 125.430 125.647 -0.217 19840 1862 1 7 . 1 1 36 36 LEU HA H 36 4.565 4.565 4.738 -0.173 19840 1863 1 7 . 1 1 36 36 LEU CA C 36 53.796 53.796 54.756 -0.960 19840 1864 1 7 . 1 1 36 36 LEU CB C 36 41.810 41.810 43.414 -1.604 19840 1865 1 7 . 1 1 36 36 LEU H H 36 8.476 8.476 8.921 -0.445 19840 1866 1 7 . 1 1 37 37 ILE N N 37 129.763 129.763 126.824 2.939 19840 1867 1 7 . 1 1 37 37 ILE HA H 37 4.607 4.607 4.730 -0.123 19840 1868 1 7 . 1 1 37 37 ILE CA C 37 57.337 57.337 58.346 -1.009 19840 1869 1 7 . 1 1 37 37 ILE CB C 37 37.601 37.601 39.108 -1.507 19840 1870 1 7 . 1 1 37 37 ILE H H 37 8.512 8.512 9.160 -0.648 19840 1871 1 7 . 1 1 38 38 LYS N N 38 125.927 125.927 126.507 -0.580 19840 1872 1 7 . 1 1 38 38 LYS HA H 38 4.958 4.958 5.004 -0.046 19840 1873 1 7 . 1 1 38 38 LYS CA C 38 54.054 54.054 54.267 -0.213 19840 1874 1 7 . 1 1 38 38 LYS CB C 38 34.807 34.807 33.853 0.954 19840 1875 1 7 . 1 1 38 38 LYS H H 38 8.849 8.849 9.175 -0.326 19840 1876 1 7 . 1 1 39 39 ALA N N 39 124.260 124.260 128.754 -4.494 19840 1877 1 7 . 1 1 39 39 ALA HA H 39 5.671 5.671 5.235 0.436 19840 1878 1 7 . 1 1 39 39 ALA CA C 39 49.202 49.202 50.030 -0.828 19840 1879 1 7 . 1 1 39 39 ALA CB C 39 23.170 23.170 20.904 2.267 19840 1880 1 7 . 1 1 39 39 ALA H H 39 8.498 8.498 8.536 -0.038 19840 1881 1 7 . 1 1 40 40 THR N N 40 112.492 112.492 115.823 -3.331 19840 1882 1 7 . 1 1 40 40 THR HA H 40 4.651 4.651 4.500 0.151 19840 1883 1 7 . 1 1 40 40 THR CA C 40 60.482 60.482 60.820 -0.338 19840 1884 1 7 . 1 1 40 40 THR CB C 40 71.335 71.335 70.215 1.120 19840 1885 1 7 . 1 1 40 40 THR H H 40 8.996 8.996 8.278 0.718 19840 1886 1 7 . 1 1 41 41 SER H H 41 8.288 8.288 8.635 -0.347 19840 1887 1 7 . 1 1 42 42 SER N N 42 113.261 113.261 115.451 -2.190 19840 1888 1 7 . 1 1 42 42 SER HA H 42 4.636 4.636 4.575 0.061 19840 1889 1 7 . 1 1 42 42 SER CA C 42 57.101 57.101 58.159 -1.058 19840 1890 1 7 . 1 1 42 42 SER CB C 42 62.842 62.842 63.434 -0.592 19840 1891 1 7 . 1 1 42 42 SER H H 42 7.629 7.629 7.736 -0.107 19840 1892 1 7 . 1 1 43 43 CYS N N 43 111.527 111.527 117.436 -5.909 19840 1893 1 7 . 1 1 43 43 CYS HA H 43 4.311 4.311 4.098 0.213 19840 1894 1 7 . 1 1 43 43 CYS CA C 43 54.093 54.093 59.704 -5.611 19840 1895 1 7 . 1 1 43 43 CYS CB C 43 32.030 32.030 25.238 6.792 19840 1896 1 7 . 1 1 43 43 CYS H H 43 8.008 8.008 7.672 0.336 19840 1897 1 7 . 1 1 44 44 GLY N N 44 107.262 107.262 106.730 0.532 19840 1898 1 7 . 1 1 44 44 GLY CA C 44 45.585 45.585 44.758 0.827 19840 1899 1 7 . 1 1 44 44 GLY H H 44 8.222 8.222 7.607 0.615 19840 1900 1 7 . 1 1 45 45 LEU N N 45 127.185 127.185 126.112 1.073 19840 1901 1 7 . 1 1 45 45 LEU HA H 45 5.586 5.586 5.383 0.203 19840 1902 1 7 . 1 1 45 45 LEU CA C 45 53.741 53.741 54.662 -0.921 19840 1903 1 7 . 1 1 45 45 LEU CB C 45 44.311 44.311 43.461 0.850 19840 1904 1 7 . 1 1 45 45 LEU H H 45 8.684 8.684 8.599 0.085 19840 1905 1 7 . 1 1 46 46 SER N N 46 114.241 114.241 116.650 -2.409 19840 1906 1 7 . 1 1 46 46 SER HA H 46 4.595 4.595 4.591 0.004 19840 1907 1 7 . 1 1 46 46 SER CA C 46 57.466 57.466 57.694 -0.228 19840 1908 1 7 . 1 1 46 46 SER CB C 46 65.844 65.844 65.821 0.023 19840 1909 1 7 . 1 1 46 46 SER H H 46 8.856 8.856 8.129 0.727 19840 1910 1 7 . 1 1 47 47 LEU N N 47 120.302 120.302 122.175 -1.873 19840 1911 1 7 . 1 1 47 47 LEU HA H 47 4.756 4.756 4.905 -0.149 19840 1912 1 7 . 1 1 47 47 LEU CA C 47 53.725 53.725 54.539 -0.815 19840 1913 1 7 . 1 1 47 47 LEU CB C 47 43.078 43.078 43.684 -0.606 19840 1914 1 7 . 1 1 47 47 LEU H H 47 8.482 8.482 8.712 -0.230 19840 1915 1 7 . 1 1 48 48 THR N N 48 119.533 119.533 118.220 1.313 19840 1916 1 7 . 1 1 48 48 THR HA H 48 4.211 4.211 4.472 -0.261 19840 1917 1 7 . 1 1 48 48 THR CA C 48 63.095 63.095 62.479 0.616 19840 1918 1 7 . 1 1 48 48 THR CB C 48 69.170 69.170 68.610 0.560 19840 1919 1 7 . 1 1 48 48 THR H H 48 8.472 8.472 8.616 -0.144 19840 1920 1 7 . 1 1 49 49 ASN N N 49 120.348 120.348 120.759 -0.411 19840 1921 1 7 . 1 1 49 49 ASN HA H 49 4.511 4.511 4.242 0.269 19840 1922 1 7 . 1 1 49 49 ASN CA C 49 53.577 53.577 54.845 -1.268 19840 1923 1 7 . 1 1 49 49 ASN CB C 49 37.381 37.381 38.303 -0.922 19840 1924 1 7 . 1 1 49 49 ASN H H 49 8.967 8.967 8.811 0.156 19840 1925 1 7 . 1 1 50 50 GLN N N 50 114.907 114.907 115.928 -1.021 19840 1926 1 7 . 1 1 50 50 GLN HA H 50 4.672 4.672 4.569 0.103 19840 1927 1 7 . 1 1 50 50 GLN CA C 50 54.515 54.515 54.845 -0.330 19840 1928 1 7 . 1 1 50 50 GLN CB C 50 34.947 34.947 32.706 2.241 19840 1929 1 7 . 1 1 50 50 GLN H H 50 7.207 7.207 7.947 -0.740 19840 1930 1 7 . 1 1 51 51 VAL N N 51 112.350 112.350 115.437 -3.087 19840 1931 1 7 . 1 1 51 51 VAL HA H 51 4.430 4.430 4.599 -0.169 19840 1932 1 7 . 1 1 51 51 VAL CA C 51 59.441 59.441 59.960 -0.519 19840 1933 1 7 . 1 1 51 51 VAL CB C 51 34.108 34.108 34.280 -0.172 19840 1934 1 7 . 1 1 51 51 VAL H H 51 7.575 7.575 8.124 -0.549 19840 1935 1 7 . 1 1 52 52 PHE N N 52 119.853 119.853 119.427 0.426 19840 1936 1 7 . 1 1 52 52 PHE HA H 52 4.422 4.422 4.564 -0.142 19840 1937 1 7 . 1 1 52 52 PHE CA C 52 60.310 60.310 57.060 3.250 19840 1938 1 7 . 1 1 52 52 PHE CB C 52 40.650 40.650 39.718 0.932 19840 1939 1 7 . 1 1 52 52 PHE H H 52 8.221 8.221 8.253 -0.032 19840 1940 1 7 . 1 1 53 53 ILE N N 53 116.505 116.505 113.494 3.011 19840 1941 1 7 . 1 1 53 53 ILE HA H 53 4.688 4.688 4.225 0.463 19840 1942 1 7 . 1 1 53 53 ILE CA C 53 59.582 59.582 60.522 -0.940 19840 1943 1 7 . 1 1 53 53 ILE CB C 53 41.131 41.131 41.426 -0.295 19840 1944 1 7 . 1 1 53 53 ILE H H 53 8.436 8.436 7.939 0.497 19840 1945 1 7 . 1 1 54 54 ASN N N 54 113.329 113.329 123.884 -10.555 19840 1946 1 7 . 1 1 54 54 ASN HA H 54 4.351 4.351 4.466 -0.115 19840 1947 1 7 . 1 1 54 54 ASN CA C 54 54.129 54.129 54.173 -0.044 19840 1948 1 7 . 1 1 54 54 ASN CB C 54 37.453 37.453 37.795 -0.342 19840 1949 1 7 . 1 1 54 54 ASN H H 54 8.889 8.889 9.196 -0.307 19840 1950 1 7 . 1 1 55 55 GLY N N 55 107.928 107.928 101.750 6.178 19840 1951 1 7 . 1 1 55 55 GLY CA C 55 46.132 46.132 44.992 1.140 19840 1952 1 7 . 1 1 55 55 GLY H H 55 8.911 8.911 8.559 0.352 19840 1953 1 7 . 1 1 56 56 GLU N N 56 119.227 119.227 121.780 -2.553 19840 1954 1 7 . 1 1 56 56 GLU HA H 56 4.590 4.590 4.368 0.222 19840 1955 1 7 . 1 1 56 56 GLU CA C 56 55.616 55.616 57.586 -1.970 19840 1956 1 7 . 1 1 56 56 GLU CB C 56 30.193 30.193 30.038 0.155 19840 1957 1 7 . 1 1 56 56 GLU H H 56 7.646 7.646 7.967 -0.321 19840 1958 1 7 . 1 1 57 57 SER N N 57 109.621 109.621 119.906 -10.285 19840 1959 1 7 . 1 1 57 57 SER HA H 57 2.577 2.577 4.708 -2.131 19840 1960 1 7 . 1 1 57 57 SER CA C 57 57.073 57.073 56.742 0.331 19840 1961 1 7 . 1 1 57 57 SER CB C 57 64.367 64.367 65.460 -1.093 19840 1962 1 7 . 1 1 57 57 SER H H 57 7.939 7.939 8.637 -0.698 19840 1963 1 7 . 1 1 58 58 VAL N N 58 115.887 115.887 116.062 -0.175 19840 1964 1 7 . 1 1 58 58 VAL HA H 58 5.488 5.488 5.241 0.247 19840 1965 1 7 . 1 1 58 58 VAL CA C 58 57.914 57.914 59.887 -1.973 19840 1966 1 7 . 1 1 58 58 VAL CB C 58 34.794 34.794 34.846 -0.052 19840 1967 1 7 . 1 1 58 58 VAL H H 58 7.721 7.721 8.150 -0.429 19840 1968 1 7 . 1 1 59 59 GLN N N 59 126.845 126.845 124.312 2.533 19840 1969 1 7 . 1 1 59 59 GLN HA H 59 4.669 4.669 4.658 0.011 19840 1970 1 7 . 1 1 59 59 GLN CA C 59 53.560 53.560 54.039 -0.479 19840 1971 1 7 . 1 1 59 59 GLN CB C 59 33.889 33.889 33.508 0.381 19840 1972 1 7 . 1 1 59 59 GLN H H 59 9.107 9.107 8.917 0.190 19840 1973 1 7 . 1 1 60 60 SER N N 60 119.479 119.479 120.117 -0.638 19840 1974 1 7 . 1 1 60 60 SER HA H 60 4.768 4.768 4.904 -0.136 19840 1975 1 7 . 1 1 60 60 SER CA C 60 58.438 58.438 58.278 0.160 19840 1976 1 7 . 1 1 60 60 SER CB C 60 63.484 63.484 63.108 0.376 19840 1977 1 7 . 1 1 60 60 SER H H 60 8.959 8.959 8.762 0.197 19840 1978 1 7 . 1 1 61 61 GLY N N 61 113.757 113.757 110.936 2.821 19840 1979 1 7 . 1 1 61 61 GLY CA C 61 44.893 44.893 45.599 -0.706 19840 1980 1 7 . 1 1 61 61 GLY H H 61 8.287 8.287 8.376 -0.089 19840 1981 1 7 . 1 1 62 62 GLY N N 62 108.329 108.329 107.694 0.635 19840 1982 1 7 . 1 1 62 62 GLY CA C 62 43.932 43.932 44.535 -0.603 19840 1983 1 7 . 1 1 62 62 GLY H H 62 7.868 7.868 7.509 0.359 19840 1984 1 7 . 1 1 63 63 ARG N N 63 122.424 122.424 121.677 0.747 19840 1985 1 7 . 1 1 63 63 ARG HA H 63 5.229 5.229 5.019 0.210 19840 1986 1 7 . 1 1 63 63 ARG CA C 63 54.037 54.037 53.807 0.230 19840 1987 1 7 . 1 1 63 63 ARG CB C 63 31.849 31.849 31.413 0.436 19840 1988 1 7 . 1 1 63 63 ARG H H 63 8.730 8.730 8.214 0.516 19840 1989 1 8 . 1 1 2 2 CYS N N 2 119.737 119.737 118.601 1.136 19840 1990 1 8 . 1 1 2 2 CYS HA H 2 5.082 5.082 5.235 -0.153 19840 1991 1 8 . 1 1 2 2 CYS CA C 2 53.264 53.264 57.935 -4.671 19840 1992 1 8 . 1 1 2 2 CYS CB C 2 39.218 39.218 32.078 7.140 19840 1993 1 8 . 1 1 2 2 CYS H H 2 9.003 9.003 8.621 0.382 19840 1994 1 8 . 1 1 3 3 VAL N N 3 126.716 126.716 120.563 6.153 19840 1995 1 8 . 1 1 3 3 VAL HA H 3 4.177 4.177 4.596 -0.419 19840 1996 1 8 . 1 1 3 3 VAL CA C 3 64.132 64.132 60.789 3.343 19840 1997 1 8 . 1 1 3 3 VAL CB C 3 31.608 31.608 34.534 -2.926 19840 1998 1 8 . 1 1 3 3 VAL H H 3 8.647 8.647 8.513 0.134 19840 1999 1 8 . 1 1 4 4 ALA N N 4 134.327 134.327 131.073 3.254 19840 2000 1 8 . 1 1 4 4 ALA HA H 4 4.773 4.773 4.611 0.162 19840 2001 1 8 . 1 1 4 4 ALA CA C 4 49.964 49.964 50.762 -0.798 19840 2002 1 8 . 1 1 4 4 ALA CB C 4 22.047 22.047 21.155 0.892 19840 2003 1 8 . 1 1 4 4 ALA H H 4 9.282 9.282 8.963 0.319 19840 2004 1 8 . 1 1 5 5 ASN N N 5 119.560 119.560 120.754 -1.194 19840 2005 1 8 . 1 1 5 5 ASN HA H 5 5.516 5.516 5.404 0.113 19840 2006 1 8 . 1 1 5 5 ASN CA C 5 50.853 50.853 51.795 -0.942 19840 2007 1 8 . 1 1 5 5 ASN CB C 5 40.194 40.194 42.965 -2.771 19840 2008 1 8 . 1 1 5 5 ASN H H 5 8.760 8.760 8.645 0.115 19840 2009 1 8 . 1 1 6 6 ILE N N 6 123.118 123.118 122.837 0.281 19840 2010 1 8 . 1 1 6 6 ILE HA H 6 4.961 4.961 5.138 -0.177 19840 2011 1 8 . 1 1 6 6 ILE CA C 6 57.398 57.398 59.422 -2.024 19840 2012 1 8 . 1 1 6 6 ILE CB C 6 35.561 35.561 39.139 -3.578 19840 2013 1 8 . 1 1 6 6 ILE H H 6 9.093 9.093 8.885 0.208 19840 2014 1 8 . 1 1 7 7 LEU N N 7 128.607 128.607 126.484 2.123 19840 2015 1 8 . 1 1 7 7 LEU HA H 7 5.399 5.399 5.103 0.296 19840 2016 1 8 . 1 1 7 7 LEU CA C 7 52.382 52.382 53.467 -1.085 19840 2017 1 8 . 1 1 7 7 LEU CB C 7 44.218 44.218 44.490 -0.272 19840 2018 1 8 . 1 1 7 7 LEU H H 7 8.896 8.896 9.079 -0.183 19840 2019 1 8 . 1 1 8 8 ASN N N 8 114.552 114.552 119.998 -5.446 19840 2020 1 8 . 1 1 8 8 ASN HA H 8 4.847 4.847 4.871 -0.024 19840 2021 1 8 . 1 1 8 8 ASN CA C 8 50.359 50.359 51.321 -0.962 19840 2022 1 8 . 1 1 8 8 ASN CB C 8 39.476 39.476 39.096 0.380 19840 2023 1 8 . 1 1 8 8 ASN H H 8 8.341 8.341 8.466 -0.125 19840 2024 1 8 . 1 1 9 9 ILE N N 9 120.261 120.261 117.508 2.753 19840 2025 1 8 . 1 1 9 9 ILE HA H 9 4.013 4.013 3.863 0.150 19840 2026 1 8 . 1 1 9 9 ILE CA C 9 63.509 63.509 63.231 0.278 19840 2027 1 8 . 1 1 9 9 ILE CB C 9 38.538 38.538 36.775 1.763 19840 2028 1 8 . 1 1 9 9 ILE H H 9 8.713 8.713 8.661 0.052 19840 2029 1 8 . 1 1 10 10 ASN N N 10 117.798 117.798 116.361 1.437 19840 2030 1 8 . 1 1 10 10 ASN HA H 10 4.897 4.897 4.709 0.188 19840 2031 1 8 . 1 1 10 10 ASN CA C 10 52.939 52.939 52.330 0.609 19840 2032 1 8 . 1 1 10 10 ASN CB C 10 38.741 38.741 38.544 0.197 19840 2033 1 8 . 1 1 10 10 ASN H H 10 7.242 7.242 8.138 -0.896 19840 2034 1 8 . 1 1 11 11 GLU N N 11 112.166 112.166 114.198 -2.032 19840 2035 1 8 . 1 1 11 11 GLU HA H 11 3.548 3.548 3.845 -0.297 19840 2036 1 8 . 1 1 11 11 GLU CA C 11 58.111 58.111 57.719 0.392 19840 2037 1 8 . 1 1 11 11 GLU CB C 11 25.932 25.932 26.790 -0.858 19840 2038 1 8 . 1 1 11 11 GLU H H 11 8.242 8.242 8.135 0.107 19840 2039 1 8 . 1 1 12 12 ALA N N 12 121.641 121.641 121.186 0.455 19840 2040 1 8 . 1 1 12 12 ALA HA H 12 4.502 4.502 4.561 -0.059 19840 2041 1 8 . 1 1 12 12 ALA CA C 12 50.413 50.413 50.833 -0.420 19840 2042 1 8 . 1 1 12 12 ALA CB C 12 19.623 19.623 20.487 -0.864 19840 2043 1 8 . 1 1 12 12 ALA H H 12 7.798 7.798 8.839 -1.041 19840 2044 1 8 . 1 1 13 13 VAL N N 13 121.315 121.315 126.066 -4.751 19840 2045 1 8 . 1 1 13 13 VAL HA H 13 4.076 4.076 4.006 0.070 19840 2046 1 8 . 1 1 13 13 VAL CA C 13 63.484 63.484 64.667 -1.183 19840 2047 1 8 . 1 1 13 13 VAL CB C 13 31.277 31.277 30.543 0.735 19840 2048 1 8 . 1 1 13 13 VAL H H 13 8.512 8.512 8.788 -0.276 19840 2049 1 8 . 1 1 14 14 ILE N N 14 121.921 121.921 123.397 -1.476 19840 2050 1 8 . 1 1 14 14 ILE HA H 14 4.635 4.635 4.540 0.095 19840 2051 1 8 . 1 1 14 14 ILE CA C 14 61.188 61.188 60.867 0.321 19840 2052 1 8 . 1 1 14 14 ILE CB C 14 39.644 39.644 38.769 0.875 19840 2053 1 8 . 1 1 14 14 ILE H H 14 9.293 9.293 9.094 0.199 19840 2054 1 8 . 1 1 15 15 ALA N N 15 123.193 123.193 122.130 1.063 19840 2055 1 8 . 1 1 15 15 ALA HA H 15 4.624 4.624 4.886 -0.262 19840 2056 1 8 . 1 1 15 15 ALA CA C 15 52.546 52.546 51.413 1.133 19840 2057 1 8 . 1 1 15 15 ALA CB C 15 22.693 22.693 22.235 0.458 19840 2058 1 8 . 1 1 15 15 ALA H H 15 7.941 7.941 7.798 0.143 19840 2059 1 8 . 1 1 16 16 THR N N 16 114.723 114.723 114.805 -0.082 19840 2060 1 8 . 1 1 16 16 THR HA H 16 5.738 5.738 5.418 0.320 19840 2061 1 8 . 1 1 16 16 THR CA C 16 60.046 60.046 60.806 -0.759 19840 2062 1 8 . 1 1 16 16 THR CB C 16 70.929 70.929 71.110 -0.181 19840 2063 1 8 . 1 1 16 16 THR H H 16 8.582 8.582 8.639 -0.057 19840 2064 1 8 . 1 1 17 17 GLY N N 17 111.166 111.166 108.847 2.319 19840 2065 1 8 . 1 1 17 17 GLY CA C 17 45.095 45.095 45.513 -0.418 19840 2066 1 8 . 1 1 17 17 GLY H H 17 8.576 8.576 8.186 0.390 19840 2067 1 8 . 1 1 18 18 CYS N N 18 121.493 121.493 119.328 2.165 19840 2068 1 8 . 1 1 18 18 CYS HA H 18 4.930 4.930 4.957 -0.027 19840 2069 1 8 . 1 1 18 18 CYS CA C 18 53.999 53.999 57.159 -3.160 19840 2070 1 8 . 1 1 18 18 CYS CB C 18 39.899 39.899 28.147 11.752 19840 2071 1 8 . 1 1 18 18 CYS H H 18 8.622 8.622 8.341 0.281 19840 2072 1 8 . 1 1 19 19 VAL N N 19 131.185 131.185 128.313 2.872 19840 2073 1 8 . 1 1 19 19 VAL HA H 19 4.019 4.019 4.573 -0.554 19840 2074 1 8 . 1 1 19 19 VAL CA C 19 59.537 59.537 58.850 0.687 19840 2075 1 8 . 1 1 19 19 VAL CB C 19 33.825 33.825 34.326 -0.501 19840 2076 1 8 . 1 1 19 19 VAL H H 19 9.414 9.414 8.890 0.524 19840 2077 1 8 . 1 1 20 20 PRO HA H 20 4.012 4.012 4.504 -0.492 19840 2078 1 8 . 1 1 20 20 PRO CA C 20 62.492 62.492 62.101 0.391 19840 2079 1 8 . 1 1 20 20 PRO CB C 20 31.931 31.931 32.357 -0.426 19840 2080 1 8 . 1 1 21 21 ALA N N 21 127.518 127.518 124.142 3.376 19840 2081 1 8 . 1 1 21 21 ALA HA H 21 3.907 3.907 3.871 0.036 19840 2082 1 8 . 1 1 21 21 ALA CA C 21 53.558 53.558 53.173 0.385 19840 2083 1 8 . 1 1 21 21 ALA CB C 21 17.717 17.717 18.875 -1.158 19840 2084 1 8 . 1 1 21 21 ALA H H 21 8.147 8.147 8.376 -0.229 19840 2085 1 8 . 1 1 22 22 GLY N N 22 114.819 114.819 111.806 3.013 19840 2086 1 8 . 1 1 22 22 GLY CA C 22 46.038 46.038 45.683 0.355 19840 2087 1 8 . 1 1 22 22 GLY H H 22 7.292 7.292 8.396 -1.104 19840 2088 1 8 . 1 1 23 23 GLY N N 23 111.300 111.300 107.424 3.876 19840 2089 1 8 . 1 1 23 23 GLY CA C 23 44.366 44.366 43.554 0.812 19840 2090 1 8 . 1 1 23 23 GLY H H 23 8.204 8.204 8.066 0.138 19840 2091 1 8 . 1 1 24 24 GLU N N 24 116.771 116.771 117.381 -0.610 19840 2092 1 8 . 1 1 24 24 GLU HA H 24 5.594 5.594 5.036 0.558 19840 2093 1 8 . 1 1 24 24 GLU CA C 24 53.749 53.749 55.234 -1.485 19840 2094 1 8 . 1 1 24 24 GLU CB C 24 35.193 35.193 32.157 3.037 19840 2095 1 8 . 1 1 24 24 GLU H H 24 8.131 8.131 7.960 0.171 19840 2096 1 8 . 1 1 25 25 LEU N N 25 121.029 121.029 121.263 -0.234 19840 2097 1 8 . 1 1 25 25 LEU HA H 25 4.465 4.465 4.754 -0.289 19840 2098 1 8 . 1 1 25 25 LEU CA C 25 54.586 54.586 54.262 0.324 19840 2099 1 8 . 1 1 25 25 LEU CB C 25 49.054 49.054 46.642 2.412 19840 2100 1 8 . 1 1 25 25 LEU H H 25 8.899 8.899 8.645 0.254 19840 2101 1 8 . 1 1 26 26 ARG N N 26 128.131 128.131 124.140 3.991 19840 2102 1 8 . 1 1 26 26 ARG HA H 26 4.864 4.864 4.679 0.184 19840 2103 1 8 . 1 1 26 26 ARG CA C 26 55.359 55.359 55.261 0.098 19840 2104 1 8 . 1 1 26 26 ARG CB C 26 29.623 29.623 30.569 -0.946 19840 2105 1 8 . 1 1 26 26 ARG H H 26 8.604 8.604 8.480 0.124 19840 2106 1 8 . 1 1 27 27 ILE N N 27 129.246 129.246 126.671 2.575 19840 2107 1 8 . 1 1 27 27 ILE HA H 27 4.202 4.202 3.818 0.384 19840 2108 1 8 . 1 1 27 27 ILE CA C 27 60.765 60.765 60.212 0.553 19840 2109 1 8 . 1 1 27 27 ILE CB C 27 40.383 40.383 39.990 0.393 19840 2110 1 8 . 1 1 27 27 ILE H H 27 9.029 9.029 8.496 0.533 19840 2111 1 8 . 1 1 28 28 PHE N N 28 127.383 127.383 124.333 3.050 19840 2112 1 8 . 1 1 28 28 PHE HA H 28 3.968 3.968 4.826 -0.858 19840 2113 1 8 . 1 1 28 28 PHE CA C 28 58.921 58.921 56.410 2.511 19840 2114 1 8 . 1 1 28 28 PHE CB C 28 39.444 39.444 38.606 0.838 19840 2115 1 8 . 1 1 28 28 PHE H H 28 8.885 8.885 8.190 0.695 19840 2116 1 8 . 1 1 29 29 VAL N N 29 124.164 124.164 126.287 -2.123 19840 2117 1 8 . 1 1 29 29 VAL HA H 29 3.887 3.887 4.319 -0.432 19840 2118 1 8 . 1 1 29 29 VAL CA C 29 61.099 61.099 61.610 -0.511 19840 2119 1 8 . 1 1 29 29 VAL CB C 29 30.194 30.194 30.721 -0.527 19840 2120 1 8 . 1 1 29 29 VAL H H 29 8.396 8.396 8.330 0.066 19840 2121 1 8 . 1 1 30 30 GLY N N 30 113.336 113.336 112.315 1.021 19840 2122 1 8 . 1 1 30 30 GLY CA C 30 46.252 46.252 44.669 1.583 19840 2123 1 8 . 1 1 30 30 GLY H H 30 8.376 8.376 7.506 0.870 19840 2124 1 8 . 1 1 31 31 SER H H 31 8.290 8.290 8.645 -0.355 19840 2125 1 8 . 1 1 32 32 SER N N 32 114.602 114.602 113.586 1.016 19840 2126 1 8 . 1 1 32 32 SER HA H 32 4.572 4.572 4.471 0.102 19840 2127 1 8 . 1 1 32 32 SER CA C 32 59.632 59.632 57.994 1.638 19840 2128 1 8 . 1 1 32 32 SER CB C 32 64.882 64.882 63.524 1.358 19840 2129 1 8 . 1 1 32 32 SER H H 32 8.344 8.344 8.095 0.249 19840 2130 1 8 . 1 1 33 33 HIS N N 33 114.790 114.790 119.459 -4.669 19840 2131 1 8 . 1 1 33 33 HIS HA H 33 4.881 4.881 4.788 0.093 19840 2132 1 8 . 1 1 33 33 HIS CA C 33 55.139 55.139 55.230 -0.091 19840 2133 1 8 . 1 1 33 33 HIS CB C 33 29.454 29.454 32.439 -2.985 19840 2134 1 8 . 1 1 33 33 HIS H H 33 7.586 7.586 8.027 -0.441 19840 2135 1 8 . 1 1 34 34 SER N N 34 112.452 112.452 114.976 -2.524 19840 2136 1 8 . 1 1 34 34 SER HA H 34 4.651 4.651 5.102 -0.451 19840 2137 1 8 . 1 1 34 34 SER CA C 34 56.296 56.296 57.771 -1.475 19840 2138 1 8 . 1 1 34 34 SER CB C 34 66.406 66.406 66.019 0.387 19840 2139 1 8 . 1 1 34 34 SER H H 34 8.169 8.169 8.491 -0.322 19840 2140 1 8 . 1 1 35 35 TYR N N 35 116.118 116.118 120.513 -4.395 19840 2141 1 8 . 1 1 35 35 TYR HA H 35 5.047 5.047 4.813 0.234 19840 2142 1 8 . 1 1 35 35 TYR CA C 35 55.601 55.601 57.543 -1.942 19840 2143 1 8 . 1 1 35 35 TYR CB C 35 43.070 43.070 42.738 0.332 19840 2144 1 8 . 1 1 35 35 TYR H H 35 8.493 8.493 8.804 -0.311 19840 2145 1 8 . 1 1 36 36 LEU N N 36 125.430 125.430 125.359 0.071 19840 2146 1 8 . 1 1 36 36 LEU HA H 36 4.565 4.565 4.774 -0.209 19840 2147 1 8 . 1 1 36 36 LEU CA C 36 53.796 53.796 54.812 -1.016 19840 2148 1 8 . 1 1 36 36 LEU CB C 36 41.810 41.810 43.310 -1.500 19840 2149 1 8 . 1 1 36 36 LEU H H 36 8.476 8.476 8.799 -0.323 19840 2150 1 8 . 1 1 37 37 ILE N N 37 129.763 129.763 126.863 2.900 19840 2151 1 8 . 1 1 37 37 ILE HA H 37 4.607 4.607 4.396 0.211 19840 2152 1 8 . 1 1 37 37 ILE CA C 37 57.337 57.337 59.211 -1.874 19840 2153 1 8 . 1 1 37 37 ILE CB C 37 37.601 37.601 39.112 -1.511 19840 2154 1 8 . 1 1 37 37 ILE H H 37 8.512 8.512 9.182 -0.670 19840 2155 1 8 . 1 1 38 38 LYS N N 38 125.927 125.927 128.059 -2.132 19840 2156 1 8 . 1 1 38 38 LYS HA H 38 4.958 4.958 4.872 0.086 19840 2157 1 8 . 1 1 38 38 LYS CA C 38 54.054 54.054 54.580 -0.526 19840 2158 1 8 . 1 1 38 38 LYS CB C 38 34.807 34.807 35.353 -0.546 19840 2159 1 8 . 1 1 38 38 LYS H H 38 8.849 8.849 8.985 -0.136 19840 2160 1 8 . 1 1 39 39 ALA N N 39 124.260 124.260 130.941 -6.681 19840 2161 1 8 . 1 1 39 39 ALA HA H 39 5.671 5.671 5.092 0.579 19840 2162 1 8 . 1 1 39 39 ALA CA C 39 49.202 49.202 50.334 -1.132 19840 2163 1 8 . 1 1 39 39 ALA CB C 39 23.170 23.170 20.497 2.673 19840 2164 1 8 . 1 1 39 39 ALA H H 39 8.498 8.498 8.678 -0.180 19840 2165 1 8 . 1 1 40 40 THR N N 40 112.492 112.492 119.424 -6.932 19840 2166 1 8 . 1 1 40 40 THR HA H 40 4.651 4.651 4.428 0.223 19840 2167 1 8 . 1 1 40 40 THR CA C 40 60.482 60.482 61.008 -0.526 19840 2168 1 8 . 1 1 40 40 THR CB C 40 71.335 71.335 69.650 1.685 19840 2169 1 8 . 1 1 40 40 THR H H 40 8.996 8.996 8.332 0.664 19840 2170 1 8 . 1 1 41 41 SER H H 41 8.288 8.288 8.770 -0.482 19840 2171 1 8 . 1 1 42 42 SER N N 42 113.261 113.261 115.195 -1.934 19840 2172 1 8 . 1 1 42 42 SER HA H 42 4.636 4.636 4.562 0.074 19840 2173 1 8 . 1 1 42 42 SER CA C 42 57.101 57.101 58.103 -1.002 19840 2174 1 8 . 1 1 42 42 SER CB C 42 62.842 62.842 63.323 -0.481 19840 2175 1 8 . 1 1 42 42 SER H H 42 7.629 7.629 7.783 -0.154 19840 2176 1 8 . 1 1 43 43 CYS N N 43 111.527 111.527 117.321 -5.794 19840 2177 1 8 . 1 1 43 43 CYS HA H 43 4.311 4.311 4.150 0.161 19840 2178 1 8 . 1 1 43 43 CYS CA C 43 54.093 54.093 59.387 -5.294 19840 2179 1 8 . 1 1 43 43 CYS CB C 43 32.030 32.030 25.543 6.487 19840 2180 1 8 . 1 1 43 43 CYS H H 43 8.008 8.008 8.181 -0.173 19840 2181 1 8 . 1 1 44 44 GLY N N 44 107.262 107.262 107.311 -0.049 19840 2182 1 8 . 1 1 44 44 GLY CA C 44 45.585 45.585 44.721 0.864 19840 2183 1 8 . 1 1 44 44 GLY H H 44 8.222 8.222 8.138 0.084 19840 2184 1 8 . 1 1 45 45 LEU N N 45 127.185 127.185 126.467 0.718 19840 2185 1 8 . 1 1 45 45 LEU HA H 45 5.586 5.586 5.216 0.370 19840 2186 1 8 . 1 1 45 45 LEU CA C 45 53.741 53.741 54.787 -1.046 19840 2187 1 8 . 1 1 45 45 LEU CB C 45 44.311 44.311 42.990 1.321 19840 2188 1 8 . 1 1 45 45 LEU H H 45 8.684 8.684 8.416 0.268 19840 2189 1 8 . 1 1 46 46 SER N N 46 114.241 114.241 116.288 -2.047 19840 2190 1 8 . 1 1 46 46 SER HA H 46 4.595 4.595 4.517 0.078 19840 2191 1 8 . 1 1 46 46 SER CA C 46 57.466 57.466 57.784 -0.318 19840 2192 1 8 . 1 1 46 46 SER CB C 46 65.844 65.844 64.745 1.099 19840 2193 1 8 . 1 1 46 46 SER H H 46 8.856 8.856 8.255 0.601 19840 2194 1 8 . 1 1 47 47 LEU N N 47 120.302 120.302 124.597 -4.295 19840 2195 1 8 . 1 1 47 47 LEU HA H 47 4.756 4.756 4.692 0.064 19840 2196 1 8 . 1 1 47 47 LEU CA C 47 53.725 53.725 55.673 -1.948 19840 2197 1 8 . 1 1 47 47 LEU CB C 47 43.078 43.078 42.662 0.416 19840 2198 1 8 . 1 1 47 47 LEU H H 47 8.482 8.482 8.609 -0.127 19840 2199 1 8 . 1 1 48 48 THR N N 48 119.533 119.533 115.155 4.378 19840 2200 1 8 . 1 1 48 48 THR HA H 48 4.211 4.211 4.425 -0.214 19840 2201 1 8 . 1 1 48 48 THR CA C 48 63.095 63.095 61.516 1.579 19840 2202 1 8 . 1 1 48 48 THR CB C 48 69.170 69.170 69.281 -0.112 19840 2203 1 8 . 1 1 48 48 THR H H 48 8.472 8.472 8.340 0.132 19840 2204 1 8 . 1 1 49 49 ASN N N 49 120.348 120.348 121.603 -1.255 19840 2205 1 8 . 1 1 49 49 ASN HA H 49 4.511 4.511 4.460 0.051 19840 2206 1 8 . 1 1 49 49 ASN CA C 49 53.577 53.577 54.254 -0.677 19840 2207 1 8 . 1 1 49 49 ASN CB C 49 37.381 37.381 38.401 -1.020 19840 2208 1 8 . 1 1 49 49 ASN H H 49 8.967 8.967 8.666 0.301 19840 2209 1 8 . 1 1 50 50 GLN N N 50 114.907 114.907 117.988 -3.081 19840 2210 1 8 . 1 1 50 50 GLN HA H 50 4.672 4.672 4.596 0.076 19840 2211 1 8 . 1 1 50 50 GLN CA C 50 54.515 54.515 55.099 -0.584 19840 2212 1 8 . 1 1 50 50 GLN CB C 50 34.947 34.947 31.406 3.541 19840 2213 1 8 . 1 1 50 50 GLN H H 50 7.207 7.207 8.179 -0.972 19840 2214 1 8 . 1 1 51 51 VAL N N 51 112.350 112.350 116.186 -3.836 19840 2215 1 8 . 1 1 51 51 VAL HA H 51 4.430 4.430 4.606 -0.176 19840 2216 1 8 . 1 1 51 51 VAL CA C 51 59.441 59.441 59.986 -0.544 19840 2217 1 8 . 1 1 51 51 VAL CB C 51 34.108 34.108 33.498 0.610 19840 2218 1 8 . 1 1 51 51 VAL H H 51 7.575 7.575 8.193 -0.618 19840 2219 1 8 . 1 1 52 52 PHE N N 52 119.853 119.853 119.746 0.107 19840 2220 1 8 . 1 1 52 52 PHE HA H 52 4.422 4.422 4.698 -0.276 19840 2221 1 8 . 1 1 52 52 PHE CA C 52 60.310 60.310 57.047 3.263 19840 2222 1 8 . 1 1 52 52 PHE CB C 52 40.650 40.650 41.454 -0.804 19840 2223 1 8 . 1 1 52 52 PHE H H 52 8.221 8.221 8.214 0.007 19840 2224 1 8 . 1 1 53 53 ILE N N 53 116.505 116.505 120.223 -3.718 19840 2225 1 8 . 1 1 53 53 ILE HA H 53 4.688 4.688 4.664 0.024 19840 2226 1 8 . 1 1 53 53 ILE CA C 53 59.582 59.582 60.336 -0.753 19840 2227 1 8 . 1 1 53 53 ILE CB C 53 41.131 41.131 41.121 0.010 19840 2228 1 8 . 1 1 53 53 ILE H H 53 8.436 8.436 8.312 0.124 19840 2229 1 8 . 1 1 54 54 ASN N N 54 113.329 113.329 118.869 -5.540 19840 2230 1 8 . 1 1 54 54 ASN HA H 54 4.351 4.351 4.441 -0.090 19840 2231 1 8 . 1 1 54 54 ASN CA C 54 54.129 54.129 53.876 0.253 19840 2232 1 8 . 1 1 54 54 ASN CB C 54 37.453 37.453 37.503 -0.050 19840 2233 1 8 . 1 1 54 54 ASN H H 54 8.889 8.889 9.036 -0.147 19840 2234 1 8 . 1 1 55 55 GLY N N 55 107.928 107.928 102.181 5.747 19840 2235 1 8 . 1 1 55 55 GLY CA C 55 46.132 46.132 45.709 0.423 19840 2236 1 8 . 1 1 55 55 GLY H H 55 8.911 8.911 8.425 0.486 19840 2237 1 8 . 1 1 56 56 GLU N N 56 119.227 119.227 120.469 -1.242 19840 2238 1 8 . 1 1 56 56 GLU HA H 56 4.590 4.590 4.454 0.136 19840 2239 1 8 . 1 1 56 56 GLU CA C 56 55.616 55.616 56.833 -1.217 19840 2240 1 8 . 1 1 56 56 GLU CB C 56 30.193 30.193 30.608 -0.415 19840 2241 1 8 . 1 1 56 56 GLU H H 56 7.646 7.646 7.723 -0.077 19840 2242 1 8 . 1 1 57 57 SER N N 57 109.621 109.621 118.052 -8.431 19840 2243 1 8 . 1 1 57 57 SER HA H 57 2.577 2.577 4.345 -1.768 19840 2244 1 8 . 1 1 57 57 SER CA C 57 57.073 57.073 56.381 0.692 19840 2245 1 8 . 1 1 57 57 SER CB C 57 64.367 64.367 65.330 -0.963 19840 2246 1 8 . 1 1 57 57 SER H H 57 7.939 7.939 8.544 -0.605 19840 2247 1 8 . 1 1 58 58 VAL N N 58 115.887 115.887 118.522 -2.635 19840 2248 1 8 . 1 1 58 58 VAL HA H 58 5.488 5.488 5.218 0.270 19840 2249 1 8 . 1 1 58 58 VAL CA C 58 57.914 57.914 60.058 -2.144 19840 2250 1 8 . 1 1 58 58 VAL CB C 58 34.794 34.794 33.655 1.139 19840 2251 1 8 . 1 1 58 58 VAL H H 58 7.721 7.721 8.205 -0.484 19840 2252 1 8 . 1 1 59 59 GLN N N 59 126.845 126.845 124.728 2.117 19840 2253 1 8 . 1 1 59 59 GLN HA H 59 4.669 4.669 4.659 0.010 19840 2254 1 8 . 1 1 59 59 GLN CA C 59 53.560 53.560 53.640 -0.080 19840 2255 1 8 . 1 1 59 59 GLN CB C 59 33.889 33.889 33.441 0.448 19840 2256 1 8 . 1 1 59 59 GLN H H 59 9.107 9.107 8.952 0.155 19840 2257 1 8 . 1 1 60 60 SER N N 60 119.479 119.479 119.481 -0.002 19840 2258 1 8 . 1 1 60 60 SER HA H 60 4.768 4.768 4.825 -0.057 19840 2259 1 8 . 1 1 60 60 SER CA C 60 58.438 58.438 57.766 0.672 19840 2260 1 8 . 1 1 60 60 SER CB C 60 63.484 63.484 63.242 0.242 19840 2261 1 8 . 1 1 60 60 SER H H 60 8.959 8.959 8.816 0.143 19840 2262 1 8 . 1 1 61 61 GLY N N 61 113.757 113.757 113.029 0.728 19840 2263 1 8 . 1 1 61 61 GLY CA C 61 44.893 44.893 45.660 -0.767 19840 2264 1 8 . 1 1 61 61 GLY H H 61 8.287 8.287 8.636 -0.349 19840 2265 1 8 . 1 1 62 62 GLY N N 62 108.329 108.329 107.541 0.788 19840 2266 1 8 . 1 1 62 62 GLY CA C 62 43.932 43.932 44.472 -0.540 19840 2267 1 8 . 1 1 62 62 GLY H H 62 7.868 7.868 7.422 0.446 19840 2268 1 8 . 1 1 63 63 ARG N N 63 122.424 122.424 120.742 1.682 19840 2269 1 8 . 1 1 63 63 ARG HA H 63 5.229 5.229 4.802 0.427 19840 2270 1 8 . 1 1 63 63 ARG CA C 63 54.037 54.037 54.191 -0.154 19840 2271 1 8 . 1 1 63 63 ARG CB C 63 31.849 31.849 31.218 0.631 19840 2272 1 8 . 1 1 63 63 ARG H H 63 8.730 8.730 8.197 0.533 19840 2273 1 9 . 1 1 2 2 CYS N N 2 119.737 119.737 118.627 1.110 19840 2274 1 9 . 1 1 2 2 CYS HA H 2 5.082 5.082 4.822 0.260 19840 2275 1 9 . 1 1 2 2 CYS CA C 2 53.264 53.264 57.255 -3.991 19840 2276 1 9 . 1 1 2 2 CYS CB C 2 39.218 39.218 31.729 7.489 19840 2277 1 9 . 1 1 2 2 CYS H H 2 9.003 9.003 8.932 0.071 19840 2278 1 9 . 1 1 3 3 VAL N N 3 126.716 126.716 120.643 6.073 19840 2279 1 9 . 1 1 3 3 VAL HA H 3 4.177 4.177 4.580 -0.403 19840 2280 1 9 . 1 1 3 3 VAL CA C 3 64.132 64.132 61.033 3.099 19840 2281 1 9 . 1 1 3 3 VAL CB C 3 31.608 31.608 34.777 -3.169 19840 2282 1 9 . 1 1 3 3 VAL H H 3 8.647 8.647 8.517 0.130 19840 2283 1 9 . 1 1 4 4 ALA N N 4 134.327 134.327 130.080 4.247 19840 2284 1 9 . 1 1 4 4 ALA HA H 4 4.773 4.773 4.784 -0.011 19840 2285 1 9 . 1 1 4 4 ALA CA C 4 49.964 49.964 50.338 -0.374 19840 2286 1 9 . 1 1 4 4 ALA CB C 4 22.047 22.047 21.415 0.632 19840 2287 1 9 . 1 1 4 4 ALA H H 4 9.282 9.282 9.160 0.122 19840 2288 1 9 . 1 1 5 5 ASN N N 5 119.560 119.560 122.046 -2.486 19840 2289 1 9 . 1 1 5 5 ASN HA H 5 5.516 5.516 5.364 0.152 19840 2290 1 9 . 1 1 5 5 ASN CA C 5 50.853 50.853 51.769 -0.916 19840 2291 1 9 . 1 1 5 5 ASN CB C 5 40.194 40.194 41.887 -1.693 19840 2292 1 9 . 1 1 5 5 ASN H H 5 8.760 8.760 8.642 0.118 19840 2293 1 9 . 1 1 6 6 ILE N N 6 123.118 123.118 123.328 -0.210 19840 2294 1 9 . 1 1 6 6 ILE HA H 6 4.961 4.961 4.997 -0.036 19840 2295 1 9 . 1 1 6 6 ILE CA C 6 57.398 57.398 59.652 -2.254 19840 2296 1 9 . 1 1 6 6 ILE CB C 6 35.561 35.561 38.846 -3.285 19840 2297 1 9 . 1 1 6 6 ILE H H 6 9.093 9.093 8.884 0.209 19840 2298 1 9 . 1 1 7 7 LEU N N 7 128.607 128.607 125.915 2.692 19840 2299 1 9 . 1 1 7 7 LEU HA H 7 5.399 5.399 5.014 0.385 19840 2300 1 9 . 1 1 7 7 LEU CA C 7 52.382 52.382 53.424 -1.042 19840 2301 1 9 . 1 1 7 7 LEU CB C 7 44.218 44.218 44.725 -0.507 19840 2302 1 9 . 1 1 7 7 LEU H H 7 8.896 8.896 9.046 -0.150 19840 2303 1 9 . 1 1 8 8 ASN N N 8 114.552 114.552 119.186 -4.634 19840 2304 1 9 . 1 1 8 8 ASN HA H 8 4.847 4.847 4.844 0.003 19840 2305 1 9 . 1 1 8 8 ASN CA C 8 50.359 50.359 51.608 -1.249 19840 2306 1 9 . 1 1 8 8 ASN CB C 8 39.476 39.476 39.145 0.331 19840 2307 1 9 . 1 1 8 8 ASN H H 8 8.341 8.341 8.469 -0.128 19840 2308 1 9 . 1 1 9 9 ILE N N 9 120.261 120.261 119.102 1.159 19840 2309 1 9 . 1 1 9 9 ILE HA H 9 4.013 4.013 4.107 -0.094 19840 2310 1 9 . 1 1 9 9 ILE CA C 9 63.509 63.509 63.204 0.305 19840 2311 1 9 . 1 1 9 9 ILE CB C 9 38.538 38.538 38.188 0.350 19840 2312 1 9 . 1 1 9 9 ILE H H 9 8.713 8.713 8.539 0.174 19840 2313 1 9 . 1 1 10 10 ASN N N 10 117.798 117.798 116.506 1.292 19840 2314 1 9 . 1 1 10 10 ASN HA H 10 4.897 4.897 4.759 0.138 19840 2315 1 9 . 1 1 10 10 ASN CA C 10 52.939 52.939 53.155 -0.216 19840 2316 1 9 . 1 1 10 10 ASN CB C 10 38.741 38.741 38.958 -0.217 19840 2317 1 9 . 1 1 10 10 ASN H H 10 7.242 7.242 8.010 -0.768 19840 2318 1 9 . 1 1 11 11 GLU N N 11 112.166 112.166 114.498 -2.332 19840 2319 1 9 . 1 1 11 11 GLU HA H 11 3.548 3.548 3.850 -0.302 19840 2320 1 9 . 1 1 11 11 GLU CA C 11 58.111 58.111 57.475 0.636 19840 2321 1 9 . 1 1 11 11 GLU CB C 11 25.932 25.932 26.804 -0.872 19840 2322 1 9 . 1 1 11 11 GLU H H 11 8.242 8.242 8.134 0.108 19840 2323 1 9 . 1 1 12 12 ALA N N 12 121.641 121.641 121.045 0.596 19840 2324 1 9 . 1 1 12 12 ALA HA H 12 4.502 4.502 4.611 -0.109 19840 2325 1 9 . 1 1 12 12 ALA CA C 12 50.413 50.413 50.641 -0.228 19840 2326 1 9 . 1 1 12 12 ALA CB C 12 19.623 19.623 20.532 -0.909 19840 2327 1 9 . 1 1 12 12 ALA H H 12 7.798 7.798 8.644 -0.846 19840 2328 1 9 . 1 1 13 13 VAL N N 13 121.315 121.315 126.865 -5.550 19840 2329 1 9 . 1 1 13 13 VAL HA H 13 4.076 4.076 3.997 0.079 19840 2330 1 9 . 1 1 13 13 VAL CA C 13 63.484 63.484 64.445 -0.961 19840 2331 1 9 . 1 1 13 13 VAL CB C 13 31.277 31.277 31.269 0.008 19840 2332 1 9 . 1 1 13 13 VAL H H 13 8.512 8.512 8.801 -0.289 19840 2333 1 9 . 1 1 14 14 ILE N N 14 121.921 121.921 123.596 -1.675 19840 2334 1 9 . 1 1 14 14 ILE HA H 14 4.635 4.635 4.534 0.101 19840 2335 1 9 . 1 1 14 14 ILE CA C 14 61.188 61.188 60.599 0.589 19840 2336 1 9 . 1 1 14 14 ILE CB C 14 39.644 39.644 38.566 1.078 19840 2337 1 9 . 1 1 14 14 ILE H H 14 9.293 9.293 8.973 0.320 19840 2338 1 9 . 1 1 15 15 ALA N N 15 123.193 123.193 121.427 1.766 19840 2339 1 9 . 1 1 15 15 ALA HA H 15 4.624 4.624 4.707 -0.083 19840 2340 1 9 . 1 1 15 15 ALA CA C 15 52.546 52.546 51.485 1.061 19840 2341 1 9 . 1 1 15 15 ALA CB C 15 22.693 22.693 22.055 0.638 19840 2342 1 9 . 1 1 15 15 ALA H H 15 7.941 7.941 7.802 0.139 19840 2343 1 9 . 1 1 16 16 THR N N 16 114.723 114.723 114.646 0.077 19840 2344 1 9 . 1 1 16 16 THR HA H 16 5.738 5.738 5.312 0.426 19840 2345 1 9 . 1 1 16 16 THR CA C 16 60.046 60.046 60.455 -0.409 19840 2346 1 9 . 1 1 16 16 THR CB C 16 70.929 70.929 70.639 0.290 19840 2347 1 9 . 1 1 16 16 THR H H 16 8.582 8.582 8.413 0.169 19840 2348 1 9 . 1 1 17 17 GLY N N 17 111.166 111.166 110.103 1.063 19840 2349 1 9 . 1 1 17 17 GLY CA C 17 45.095 45.095 45.146 -0.051 19840 2350 1 9 . 1 1 17 17 GLY H H 17 8.576 8.576 8.248 0.328 19840 2351 1 9 . 1 1 18 18 CYS N N 18 121.493 121.493 121.512 -0.019 19840 2352 1 9 . 1 1 18 18 CYS HA H 18 4.930 4.930 5.002 -0.072 19840 2353 1 9 . 1 1 18 18 CYS CA C 18 53.999 53.999 57.933 -3.934 19840 2354 1 9 . 1 1 18 18 CYS CB C 18 39.899 39.899 26.405 13.494 19840 2355 1 9 . 1 1 18 18 CYS H H 18 8.622 8.622 8.564 0.058 19840 2356 1 9 . 1 1 19 19 VAL N N 19 131.185 131.185 130.080 1.105 19840 2357 1 9 . 1 1 19 19 VAL HA H 19 4.019 4.019 4.464 -0.445 19840 2358 1 9 . 1 1 19 19 VAL CA C 19 59.537 59.537 59.417 0.120 19840 2359 1 9 . 1 1 19 19 VAL CB C 19 33.825 33.825 32.898 0.927 19840 2360 1 9 . 1 1 19 19 VAL H H 19 9.414 9.414 8.847 0.567 19840 2361 1 9 . 1 1 20 20 PRO HA H 20 4.012 4.012 4.383 -0.371 19840 2362 1 9 . 1 1 20 20 PRO CA C 20 62.492 62.492 62.132 0.360 19840 2363 1 9 . 1 1 20 20 PRO CB C 20 31.931 31.931 32.098 -0.167 19840 2364 1 9 . 1 1 21 21 ALA N N 21 127.518 127.518 124.785 2.733 19840 2365 1 9 . 1 1 21 21 ALA HA H 21 3.907 3.907 3.952 -0.045 19840 2366 1 9 . 1 1 21 21 ALA CA C 21 53.558 53.558 53.011 0.547 19840 2367 1 9 . 1 1 21 21 ALA CB C 21 17.717 17.717 18.475 -0.758 19840 2368 1 9 . 1 1 21 21 ALA H H 21 8.147 8.147 8.233 -0.086 19840 2369 1 9 . 1 1 22 22 GLY N N 22 114.819 114.819 111.787 3.032 19840 2370 1 9 . 1 1 22 22 GLY CA C 22 46.038 46.038 45.252 0.786 19840 2371 1 9 . 1 1 22 22 GLY H H 22 7.292 7.292 8.600 -1.308 19840 2372 1 9 . 1 1 23 23 GLY N N 23 111.300 111.300 107.161 4.139 19840 2373 1 9 . 1 1 23 23 GLY CA C 23 44.366 44.366 44.147 0.219 19840 2374 1 9 . 1 1 23 23 GLY H H 23 8.204 8.204 8.244 -0.040 19840 2375 1 9 . 1 1 24 24 GLU N N 24 116.771 116.771 118.252 -1.481 19840 2376 1 9 . 1 1 24 24 GLU HA H 24 5.594 5.594 5.173 0.421 19840 2377 1 9 . 1 1 24 24 GLU CA C 24 53.749 53.749 55.345 -1.596 19840 2378 1 9 . 1 1 24 24 GLU CB C 24 35.193 35.193 33.176 2.017 19840 2379 1 9 . 1 1 24 24 GLU H H 24 8.131 8.131 8.400 -0.269 19840 2380 1 9 . 1 1 25 25 LEU N N 25 121.029 121.029 123.564 -2.535 19840 2381 1 9 . 1 1 25 25 LEU HA H 25 4.465 4.465 4.785 -0.320 19840 2382 1 9 . 1 1 25 25 LEU CA C 25 54.586 54.586 53.658 0.928 19840 2383 1 9 . 1 1 25 25 LEU CB C 25 49.054 49.054 46.317 2.737 19840 2384 1 9 . 1 1 25 25 LEU H H 25 8.899 8.899 8.948 -0.049 19840 2385 1 9 . 1 1 26 26 ARG N N 26 128.131 128.131 126.005 2.126 19840 2386 1 9 . 1 1 26 26 ARG HA H 26 4.864 4.864 4.496 0.368 19840 2387 1 9 . 1 1 26 26 ARG CA C 26 55.359 55.359 55.942 -0.583 19840 2388 1 9 . 1 1 26 26 ARG CB C 26 29.623 29.623 30.639 -1.016 19840 2389 1 9 . 1 1 26 26 ARG H H 26 8.604 8.604 8.569 0.035 19840 2390 1 9 . 1 1 27 27 ILE N N 27 129.246 129.246 126.284 2.962 19840 2391 1 9 . 1 1 27 27 ILE HA H 27 4.202 4.202 4.254 -0.052 19840 2392 1 9 . 1 1 27 27 ILE CA C 27 60.765 60.765 59.835 0.930 19840 2393 1 9 . 1 1 27 27 ILE CB C 27 40.383 40.383 41.389 -1.006 19840 2394 1 9 . 1 1 27 27 ILE H H 27 9.029 9.029 8.686 0.343 19840 2395 1 9 . 1 1 28 28 PHE N N 28 127.383 127.383 122.092 5.291 19840 2396 1 9 . 1 1 28 28 PHE HA H 28 3.968 3.968 5.149 -1.181 19840 2397 1 9 . 1 1 28 28 PHE CA C 28 58.921 58.921 55.868 3.053 19840 2398 1 9 . 1 1 28 28 PHE CB C 28 39.444 39.444 39.319 0.125 19840 2399 1 9 . 1 1 28 28 PHE H H 28 8.885 8.885 7.784 1.101 19840 2400 1 9 . 1 1 29 29 VAL N N 29 124.164 124.164 118.337 5.827 19840 2401 1 9 . 1 1 29 29 VAL HA H 29 3.887 3.887 4.458 -0.571 19840 2402 1 9 . 1 1 29 29 VAL CA C 29 61.099 61.099 61.336 -0.237 19840 2403 1 9 . 1 1 29 29 VAL CB C 29 30.194 30.194 31.823 -1.629 19840 2404 1 9 . 1 1 29 29 VAL H H 29 8.396 8.396 8.372 0.024 19840 2405 1 9 . 1 1 30 30 GLY N N 30 113.336 113.336 107.295 6.041 19840 2406 1 9 . 1 1 30 30 GLY CA C 30 46.252 46.252 45.139 1.113 19840 2407 1 9 . 1 1 30 30 GLY H H 30 8.376 8.376 7.824 0.552 19840 2408 1 9 . 1 1 31 31 SER H H 31 8.290 8.290 8.746 -0.456 19840 2409 1 9 . 1 1 32 32 SER N N 32 114.602 114.602 119.661 -5.059 19840 2410 1 9 . 1 1 32 32 SER HA H 32 4.572 4.572 4.183 0.389 19840 2411 1 9 . 1 1 32 32 SER CA C 32 59.632 59.632 60.105 -0.473 19840 2412 1 9 . 1 1 32 32 SER CB C 32 64.882 64.882 63.382 1.500 19840 2413 1 9 . 1 1 32 32 SER H H 32 8.344 8.344 8.035 0.309 19840 2414 1 9 . 1 1 33 33 HIS N N 33 114.790 114.790 122.086 -7.296 19840 2415 1 9 . 1 1 33 33 HIS HA H 33 4.881 4.881 4.557 0.324 19840 2416 1 9 . 1 1 33 33 HIS CA C 33 55.139 55.139 56.166 -1.027 19840 2417 1 9 . 1 1 33 33 HIS CB C 33 29.454 29.454 30.500 -1.046 19840 2418 1 9 . 1 1 33 33 HIS H H 33 7.586 7.586 7.513 0.073 19840 2419 1 9 . 1 1 34 34 SER N N 34 112.452 112.452 116.503 -4.051 19840 2420 1 9 . 1 1 34 34 SER HA H 34 4.651 4.651 5.021 -0.370 19840 2421 1 9 . 1 1 34 34 SER CA C 34 56.296 56.296 57.401 -1.105 19840 2422 1 9 . 1 1 34 34 SER CB C 34 66.406 66.406 66.266 0.140 19840 2423 1 9 . 1 1 34 34 SER H H 34 8.169 8.169 8.299 -0.130 19840 2424 1 9 . 1 1 35 35 TYR N N 35 116.118 116.118 120.300 -4.182 19840 2425 1 9 . 1 1 35 35 TYR HA H 35 5.047 5.047 4.756 0.291 19840 2426 1 9 . 1 1 35 35 TYR CA C 35 55.601 55.601 57.510 -1.909 19840 2427 1 9 . 1 1 35 35 TYR CB C 35 43.070 43.070 42.541 0.529 19840 2428 1 9 . 1 1 35 35 TYR H H 35 8.493 8.493 9.119 -0.626 19840 2429 1 9 . 1 1 36 36 LEU N N 36 125.430 125.430 125.526 -0.096 19840 2430 1 9 . 1 1 36 36 LEU HA H 36 4.565 4.565 4.877 -0.312 19840 2431 1 9 . 1 1 36 36 LEU CA C 36 53.796 53.796 54.639 -0.843 19840 2432 1 9 . 1 1 36 36 LEU CB C 36 41.810 41.810 43.562 -1.752 19840 2433 1 9 . 1 1 36 36 LEU H H 36 8.476 8.476 8.833 -0.357 19840 2434 1 9 . 1 1 37 37 ILE N N 37 129.763 129.763 126.758 3.005 19840 2435 1 9 . 1 1 37 37 ILE HA H 37 4.607 4.607 4.555 0.052 19840 2436 1 9 . 1 1 37 37 ILE CA C 37 57.337 57.337 58.974 -1.637 19840 2437 1 9 . 1 1 37 37 ILE CB C 37 37.601 37.601 38.645 -1.044 19840 2438 1 9 . 1 1 37 37 ILE H H 37 8.512 8.512 9.228 -0.716 19840 2439 1 9 . 1 1 38 38 LYS N N 38 125.927 125.927 128.423 -2.496 19840 2440 1 9 . 1 1 38 38 LYS HA H 38 4.958 4.958 4.825 0.133 19840 2441 1 9 . 1 1 38 38 LYS CA C 38 54.054 54.054 54.954 -0.900 19840 2442 1 9 . 1 1 38 38 LYS CB C 38 34.807 34.807 34.701 0.106 19840 2443 1 9 . 1 1 38 38 LYS H H 38 8.849 8.849 9.030 -0.181 19840 2444 1 9 . 1 1 39 39 ALA N N 39 124.260 124.260 130.955 -6.695 19840 2445 1 9 . 1 1 39 39 ALA HA H 39 5.671 5.671 5.267 0.404 19840 2446 1 9 . 1 1 39 39 ALA CA C 39 49.202 49.202 50.143 -0.941 19840 2447 1 9 . 1 1 39 39 ALA CB C 39 23.170 23.170 20.870 2.300 19840 2448 1 9 . 1 1 39 39 ALA H H 39 8.498 8.498 8.924 -0.426 19840 2449 1 9 . 1 1 40 40 THR N N 40 112.492 112.492 117.044 -4.552 19840 2450 1 9 . 1 1 40 40 THR HA H 40 4.651 4.651 4.385 0.266 19840 2451 1 9 . 1 1 40 40 THR CA C 40 60.482 60.482 60.842 -0.360 19840 2452 1 9 . 1 1 40 40 THR CB C 40 71.335 71.335 69.960 1.375 19840 2453 1 9 . 1 1 40 40 THR H H 40 8.996 8.996 8.350 0.646 19840 2454 1 9 . 1 1 41 41 SER H H 41 8.288 8.288 8.666 -0.378 19840 2455 1 9 . 1 1 42 42 SER N N 42 113.261 113.261 115.267 -2.006 19840 2456 1 9 . 1 1 42 42 SER HA H 42 4.636 4.636 4.600 0.036 19840 2457 1 9 . 1 1 42 42 SER CA C 42 57.101 57.101 57.936 -0.835 19840 2458 1 9 . 1 1 42 42 SER CB C 42 62.842 62.842 63.504 -0.662 19840 2459 1 9 . 1 1 42 42 SER H H 42 7.629 7.629 7.723 -0.094 19840 2460 1 9 . 1 1 43 43 CYS N N 43 111.527 111.527 118.488 -6.961 19840 2461 1 9 . 1 1 43 43 CYS HA H 43 4.311 4.311 4.130 0.181 19840 2462 1 9 . 1 1 43 43 CYS CA C 43 54.093 54.093 59.427 -5.334 19840 2463 1 9 . 1 1 43 43 CYS CB C 43 32.030 32.030 25.315 6.715 19840 2464 1 9 . 1 1 43 43 CYS H H 43 8.008 8.008 7.692 0.316 19840 2465 1 9 . 1 1 44 44 GLY N N 44 107.262 107.262 108.302 -1.040 19840 2466 1 9 . 1 1 44 44 GLY CA C 44 45.585 45.585 44.704 0.881 19840 2467 1 9 . 1 1 44 44 GLY H H 44 8.222 8.222 7.799 0.423 19840 2468 1 9 . 1 1 45 45 LEU N N 45 127.185 127.185 126.287 0.898 19840 2469 1 9 . 1 1 45 45 LEU HA H 45 5.586 5.586 5.046 0.540 19840 2470 1 9 . 1 1 45 45 LEU CA C 45 53.741 53.741 54.737 -0.996 19840 2471 1 9 . 1 1 45 45 LEU CB C 45 44.311 44.311 43.205 1.106 19840 2472 1 9 . 1 1 45 45 LEU H H 45 8.684 8.684 8.437 0.247 19840 2473 1 9 . 1 1 46 46 SER N N 46 114.241 114.241 113.969 0.272 19840 2474 1 9 . 1 1 46 46 SER HA H 46 4.595 4.595 4.545 0.050 19840 2475 1 9 . 1 1 46 46 SER CA C 46 57.466 57.466 58.081 -0.615 19840 2476 1 9 . 1 1 46 46 SER CB C 46 65.844 65.844 64.676 1.168 19840 2477 1 9 . 1 1 46 46 SER H H 46 8.856 8.856 7.857 0.999 19840 2478 1 9 . 1 1 47 47 LEU N N 47 120.302 120.302 124.213 -3.911 19840 2479 1 9 . 1 1 47 47 LEU HA H 47 4.756 4.756 4.735 0.021 19840 2480 1 9 . 1 1 47 47 LEU CA C 47 53.725 53.725 55.724 -1.998 19840 2481 1 9 . 1 1 47 47 LEU CB C 47 43.078 43.078 42.721 0.357 19840 2482 1 9 . 1 1 47 47 LEU H H 47 8.482 8.482 8.662 -0.180 19840 2483 1 9 . 1 1 48 48 THR N N 48 119.533 119.533 115.895 3.638 19840 2484 1 9 . 1 1 48 48 THR HA H 48 4.211 4.211 4.400 -0.189 19840 2485 1 9 . 1 1 48 48 THR CA C 48 63.095 63.095 61.499 1.596 19840 2486 1 9 . 1 1 48 48 THR CB C 48 69.170 69.170 68.899 0.271 19840 2487 1 9 . 1 1 48 48 THR H H 48 8.472 8.472 8.395 0.077 19840 2488 1 9 . 1 1 49 49 ASN N N 49 120.348 120.348 121.589 -1.241 19840 2489 1 9 . 1 1 49 49 ASN HA H 49 4.511 4.511 4.474 0.037 19840 2490 1 9 . 1 1 49 49 ASN CA C 49 53.577 53.577 54.277 -0.700 19840 2491 1 9 . 1 1 49 49 ASN CB C 49 37.381 37.381 38.362 -0.981 19840 2492 1 9 . 1 1 49 49 ASN H H 49 8.967 8.967 8.578 0.389 19840 2493 1 9 . 1 1 50 50 GLN N N 50 114.907 114.907 117.273 -2.366 19840 2494 1 9 . 1 1 50 50 GLN HA H 50 4.672 4.672 4.415 0.257 19840 2495 1 9 . 1 1 50 50 GLN CA C 50 54.515 54.515 55.016 -0.501 19840 2496 1 9 . 1 1 50 50 GLN CB C 50 34.947 34.947 31.335 3.612 19840 2497 1 9 . 1 1 50 50 GLN H H 50 7.207 7.207 7.999 -0.792 19840 2498 1 9 . 1 1 51 51 VAL N N 51 112.350 112.350 115.128 -2.778 19840 2499 1 9 . 1 1 51 51 VAL HA H 51 4.430 4.430 4.534 -0.104 19840 2500 1 9 . 1 1 51 51 VAL CA C 51 59.441 59.441 59.898 -0.457 19840 2501 1 9 . 1 1 51 51 VAL CB C 51 34.108 34.108 33.825 0.283 19840 2502 1 9 . 1 1 51 51 VAL H H 51 7.575 7.575 8.194 -0.619 19840 2503 1 9 . 1 1 52 52 PHE N N 52 119.853 119.853 121.485 -1.632 19840 2504 1 9 . 1 1 52 52 PHE HA H 52 4.422 4.422 4.349 0.073 19840 2505 1 9 . 1 1 52 52 PHE CA C 52 60.310 60.310 57.637 2.673 19840 2506 1 9 . 1 1 52 52 PHE CB C 52 40.650 40.650 39.997 0.653 19840 2507 1 9 . 1 1 52 52 PHE H H 52 8.221 8.221 8.281 -0.060 19840 2508 1 9 . 1 1 53 53 ILE N N 53 116.505 116.505 121.634 -5.129 19840 2509 1 9 . 1 1 53 53 ILE HA H 53 4.688 4.688 4.647 0.041 19840 2510 1 9 . 1 1 53 53 ILE CA C 53 59.582 59.582 60.031 -0.449 19840 2511 1 9 . 1 1 53 53 ILE CB C 53 41.131 41.131 40.934 0.197 19840 2512 1 9 . 1 1 53 53 ILE H H 53 8.436 8.436 8.588 -0.152 19840 2513 1 9 . 1 1 54 54 ASN N N 54 113.329 113.329 118.724 -5.395 19840 2514 1 9 . 1 1 54 54 ASN HA H 54 4.351 4.351 4.408 -0.057 19840 2515 1 9 . 1 1 54 54 ASN CA C 54 54.129 54.129 53.865 0.264 19840 2516 1 9 . 1 1 54 54 ASN CB C 54 37.453 37.453 37.406 0.047 19840 2517 1 9 . 1 1 54 54 ASN H H 54 8.889 8.889 9.150 -0.261 19840 2518 1 9 . 1 1 55 55 GLY N N 55 107.928 107.928 101.558 6.370 19840 2519 1 9 . 1 1 55 55 GLY CA C 55 46.132 46.132 45.620 0.512 19840 2520 1 9 . 1 1 55 55 GLY H H 55 8.911 8.911 8.619 0.292 19840 2521 1 9 . 1 1 56 56 GLU N N 56 119.227 119.227 120.596 -1.369 19840 2522 1 9 . 1 1 56 56 GLU HA H 56 4.590 4.590 4.632 -0.042 19840 2523 1 9 . 1 1 56 56 GLU CA C 56 55.616 55.616 56.323 -0.707 19840 2524 1 9 . 1 1 56 56 GLU CB C 56 30.193 30.193 31.341 -1.149 19840 2525 1 9 . 1 1 56 56 GLU H H 56 7.646 7.646 7.939 -0.293 19840 2526 1 9 . 1 1 57 57 SER N N 57 109.621 109.621 115.101 -5.480 19840 2527 1 9 . 1 1 57 57 SER HA H 57 2.577 2.577 3.753 -1.176 19840 2528 1 9 . 1 1 57 57 SER CA C 57 57.073 57.073 56.922 0.151 19840 2529 1 9 . 1 1 57 57 SER CB C 57 64.367 64.367 65.751 -1.384 19840 2530 1 9 . 1 1 57 57 SER H H 57 7.939 7.939 8.459 -0.520 19840 2531 1 9 . 1 1 58 58 VAL N N 58 115.887 115.887 120.010 -4.123 19840 2532 1 9 . 1 1 58 58 VAL HA H 58 5.488 5.488 5.136 0.352 19840 2533 1 9 . 1 1 58 58 VAL CA C 58 57.914 57.914 59.611 -1.697 19840 2534 1 9 . 1 1 58 58 VAL CB C 58 34.794 34.794 35.006 -0.212 19840 2535 1 9 . 1 1 58 58 VAL H H 58 7.721 7.721 8.265 -0.544 19840 2536 1 9 . 1 1 59 59 GLN N N 59 126.845 126.845 123.718 3.127 19840 2537 1 9 . 1 1 59 59 GLN HA H 59 4.669 4.669 4.647 0.022 19840 2538 1 9 . 1 1 59 59 GLN CA C 59 53.560 53.560 53.474 0.086 19840 2539 1 9 . 1 1 59 59 GLN CB C 59 33.889 33.889 33.627 0.262 19840 2540 1 9 . 1 1 59 59 GLN H H 59 9.107 9.107 8.874 0.233 19840 2541 1 9 . 1 1 60 60 SER N N 60 119.479 119.479 118.240 1.239 19840 2542 1 9 . 1 1 60 60 SER HA H 60 4.768 4.768 4.792 -0.024 19840 2543 1 9 . 1 1 60 60 SER CA C 60 58.438 58.438 58.625 -0.187 19840 2544 1 9 . 1 1 60 60 SER CB C 60 63.484 63.484 63.173 0.311 19840 2545 1 9 . 1 1 60 60 SER H H 60 8.959 8.959 8.575 0.384 19840 2546 1 9 . 1 1 61 61 GLY N N 61 113.757 113.757 112.565 1.192 19840 2547 1 9 . 1 1 61 61 GLY CA C 61 44.893 44.893 44.353 0.540 19840 2548 1 9 . 1 1 61 61 GLY H H 61 8.287 8.287 8.165 0.122 19840 2549 1 9 . 1 1 62 62 GLY N N 62 108.329 108.329 107.339 0.990 19840 2550 1 9 . 1 1 62 62 GLY CA C 62 43.932 43.932 44.288 -0.355 19840 2551 1 9 . 1 1 62 62 GLY H H 62 7.868 7.868 7.702 0.166 19840 2552 1 9 . 1 1 63 63 ARG N N 63 122.424 122.424 119.298 3.126 19840 2553 1 9 . 1 1 63 63 ARG HA H 63 5.229 5.229 4.585 0.644 19840 2554 1 9 . 1 1 63 63 ARG CA C 63 54.037 54.037 55.024 -0.987 19840 2555 1 9 . 1 1 63 63 ARG CB C 63 31.849 31.849 31.834 0.015 19840 2556 1 9 . 1 1 63 63 ARG H H 63 8.730 8.730 8.398 0.332 19840 2557 1 10 . 1 1 2 2 CYS N N 2 119.737 119.737 117.545 2.192 19840 2558 1 10 . 1 1 2 2 CYS HA H 2 5.082 5.082 5.414 -0.332 19840 2559 1 10 . 1 1 2 2 CYS CA C 2 53.264 53.264 57.561 -4.297 19840 2560 1 10 . 1 1 2 2 CYS CB C 2 39.218 39.218 32.056 7.162 19840 2561 1 10 . 1 1 2 2 CYS H H 2 9.003 9.003 9.105 -0.102 19840 2562 1 10 . 1 1 3 3 VAL N N 3 126.716 126.716 118.777 7.939 19840 2563 1 10 . 1 1 3 3 VAL HA H 3 4.177 4.177 4.271 -0.094 19840 2564 1 10 . 1 1 3 3 VAL CA C 3 64.132 64.132 61.148 2.984 19840 2565 1 10 . 1 1 3 3 VAL CB C 3 31.608 31.608 35.094 -3.486 19840 2566 1 10 . 1 1 3 3 VAL H H 3 8.647 8.647 8.475 0.172 19840 2567 1 10 . 1 1 4 4 ALA N N 4 134.327 134.327 128.188 6.139 19840 2568 1 10 . 1 1 4 4 ALA HA H 4 4.773 4.773 4.815 -0.042 19840 2569 1 10 . 1 1 4 4 ALA CA C 4 49.964 49.964 50.306 -0.342 19840 2570 1 10 . 1 1 4 4 ALA CB C 4 22.047 22.047 22.210 -0.163 19840 2571 1 10 . 1 1 4 4 ALA H H 4 9.282 9.282 9.110 0.172 19840 2572 1 10 . 1 1 5 5 ASN N N 5 119.560 119.560 119.973 -0.413 19840 2573 1 10 . 1 1 5 5 ASN HA H 5 5.516 5.516 5.313 0.203 19840 2574 1 10 . 1 1 5 5 ASN CA C 5 50.853 50.853 51.777 -0.924 19840 2575 1 10 . 1 1 5 5 ASN CB C 5 40.194 40.194 43.299 -3.105 19840 2576 1 10 . 1 1 5 5 ASN H H 5 8.760 8.760 8.634 0.126 19840 2577 1 10 . 1 1 6 6 ILE N N 6 123.118 123.118 121.766 1.352 19840 2578 1 10 . 1 1 6 6 ILE HA H 6 4.961 4.961 5.080 -0.119 19840 2579 1 10 . 1 1 6 6 ILE CA C 6 57.398 57.398 59.527 -2.129 19840 2580 1 10 . 1 1 6 6 ILE CB C 6 35.561 35.561 39.448 -3.887 19840 2581 1 10 . 1 1 6 6 ILE H H 6 9.093 9.093 8.596 0.497 19840 2582 1 10 . 1 1 7 7 LEU N N 7 128.607 128.607 126.085 2.522 19840 2583 1 10 . 1 1 7 7 LEU HA H 7 5.399 5.399 5.079 0.320 19840 2584 1 10 . 1 1 7 7 LEU CA C 7 52.382 52.382 53.410 -1.028 19840 2585 1 10 . 1 1 7 7 LEU CB C 7 44.218 44.218 44.483 -0.265 19840 2586 1 10 . 1 1 7 7 LEU H H 7 8.896 8.896 9.115 -0.219 19840 2587 1 10 . 1 1 8 8 ASN N N 8 114.552 114.552 119.492 -4.940 19840 2588 1 10 . 1 1 8 8 ASN HA H 8 4.847 4.847 4.845 0.002 19840 2589 1 10 . 1 1 8 8 ASN CA C 8 50.359 50.359 51.636 -1.277 19840 2590 1 10 . 1 1 8 8 ASN CB C 8 39.476 39.476 39.094 0.382 19840 2591 1 10 . 1 1 8 8 ASN H H 8 8.341 8.341 8.478 -0.137 19840 2592 1 10 . 1 1 9 9 ILE N N 9 120.261 120.261 119.184 1.077 19840 2593 1 10 . 1 1 9 9 ILE HA H 9 4.013 4.013 4.019 -0.006 19840 2594 1 10 . 1 1 9 9 ILE CA C 9 63.509 63.509 63.255 0.254 19840 2595 1 10 . 1 1 9 9 ILE CB C 9 38.538 38.538 38.289 0.249 19840 2596 1 10 . 1 1 9 9 ILE H H 9 8.713 8.713 8.499 0.214 19840 2597 1 10 . 1 1 10 10 ASN N N 10 117.798 117.798 116.799 0.999 19840 2598 1 10 . 1 1 10 10 ASN HA H 10 4.897 4.897 4.715 0.182 19840 2599 1 10 . 1 1 10 10 ASN CA C 10 52.939 52.939 52.479 0.460 19840 2600 1 10 . 1 1 10 10 ASN CB C 10 38.741 38.741 38.793 -0.052 19840 2601 1 10 . 1 1 10 10 ASN H H 10 7.242 7.242 7.992 -0.750 19840 2602 1 10 . 1 1 11 11 GLU N N 11 112.166 112.166 114.840 -2.674 19840 2603 1 10 . 1 1 11 11 GLU HA H 11 3.548 3.548 3.834 -0.286 19840 2604 1 10 . 1 1 11 11 GLU CA C 11 58.111 58.111 57.637 0.474 19840 2605 1 10 . 1 1 11 11 GLU CB C 11 25.932 25.932 27.043 -1.111 19840 2606 1 10 . 1 1 11 11 GLU H H 11 8.242 8.242 8.163 0.079 19840 2607 1 10 . 1 1 12 12 ALA N N 12 121.641 121.641 121.195 0.446 19840 2608 1 10 . 1 1 12 12 ALA HA H 12 4.502 4.502 4.577 -0.075 19840 2609 1 10 . 1 1 12 12 ALA CA C 12 50.413 50.413 50.751 -0.338 19840 2610 1 10 . 1 1 12 12 ALA CB C 12 19.623 19.623 20.605 -0.982 19840 2611 1 10 . 1 1 12 12 ALA H H 12 7.798 7.798 8.653 -0.855 19840 2612 1 10 . 1 1 13 13 VAL N N 13 121.315 121.315 126.326 -5.011 19840 2613 1 10 . 1 1 13 13 VAL HA H 13 4.076 4.076 3.980 0.096 19840 2614 1 10 . 1 1 13 13 VAL CA C 13 63.484 63.484 64.088 -0.605 19840 2615 1 10 . 1 1 13 13 VAL CB C 13 31.277 31.277 31.005 0.272 19840 2616 1 10 . 1 1 13 13 VAL H H 13 8.512 8.512 8.808 -0.296 19840 2617 1 10 . 1 1 14 14 ILE N N 14 121.921 121.921 124.104 -2.183 19840 2618 1 10 . 1 1 14 14 ILE HA H 14 4.635 4.635 4.573 0.062 19840 2619 1 10 . 1 1 14 14 ILE CA C 14 61.188 61.188 60.903 0.285 19840 2620 1 10 . 1 1 14 14 ILE CB C 14 39.644 39.644 38.695 0.949 19840 2621 1 10 . 1 1 14 14 ILE H H 14 9.293 9.293 9.125 0.168 19840 2622 1 10 . 1 1 15 15 ALA N N 15 123.193 123.193 123.273 -0.080 19840 2623 1 10 . 1 1 15 15 ALA HA H 15 4.624 4.624 4.725 -0.101 19840 2624 1 10 . 1 1 15 15 ALA CA C 15 52.546 52.546 51.044 1.502 19840 2625 1 10 . 1 1 15 15 ALA CB C 15 22.693 22.693 22.011 0.682 19840 2626 1 10 . 1 1 15 15 ALA H H 15 7.941 7.941 7.887 0.054 19840 2627 1 10 . 1 1 16 16 THR N N 16 114.723 114.723 111.648 3.075 19840 2628 1 10 . 1 1 16 16 THR HA H 16 5.738 5.738 5.480 0.258 19840 2629 1 10 . 1 1 16 16 THR CA C 16 60.046 60.046 60.321 -0.275 19840 2630 1 10 . 1 1 16 16 THR CB C 16 70.929 70.929 72.042 -1.113 19840 2631 1 10 . 1 1 16 16 THR H H 16 8.582 8.582 8.344 0.238 19840 2632 1 10 . 1 1 17 17 GLY N N 17 111.166 111.166 109.098 2.068 19840 2633 1 10 . 1 1 17 17 GLY CA C 17 45.095 45.095 45.039 0.056 19840 2634 1 10 . 1 1 17 17 GLY H H 17 8.576 8.576 8.544 0.032 19840 2635 1 10 . 1 1 18 18 CYS N N 18 121.493 121.493 119.859 1.634 19840 2636 1 10 . 1 1 18 18 CYS HA H 18 4.930 4.930 4.771 0.159 19840 2637 1 10 . 1 1 18 18 CYS CA C 18 53.999 53.999 57.380 -3.381 19840 2638 1 10 . 1 1 18 18 CYS CB C 18 39.899 39.899 28.209 11.690 19840 2639 1 10 . 1 1 18 18 CYS H H 18 8.622 8.622 8.536 0.086 19840 2640 1 10 . 1 1 19 19 VAL N N 19 131.185 131.185 128.133 3.052 19840 2641 1 10 . 1 1 19 19 VAL HA H 19 4.019 4.019 4.583 -0.564 19840 2642 1 10 . 1 1 19 19 VAL CA C 19 59.537 59.537 59.354 0.183 19840 2643 1 10 . 1 1 19 19 VAL CB C 19 33.825 33.825 35.403 -1.578 19840 2644 1 10 . 1 1 19 19 VAL H H 19 9.414 9.414 8.939 0.475 19840 2645 1 10 . 1 1 20 20 PRO HA H 20 4.012 4.012 4.591 -0.579 19840 2646 1 10 . 1 1 20 20 PRO CA C 20 62.492 62.492 62.493 -0.001 19840 2647 1 10 . 1 1 20 20 PRO CB C 20 31.931 31.931 32.100 -0.169 19840 2648 1 10 . 1 1 21 21 ALA N N 21 127.518 127.518 121.422 6.096 19840 2649 1 10 . 1 1 21 21 ALA HA H 21 3.907 3.907 4.139 -0.232 19840 2650 1 10 . 1 1 21 21 ALA CA C 21 53.558 53.558 51.879 1.679 19840 2651 1 10 . 1 1 21 21 ALA CB C 21 17.717 17.717 18.715 -0.998 19840 2652 1 10 . 1 1 21 21 ALA H H 21 8.147 8.147 7.878 0.269 19840 2653 1 10 . 1 1 22 22 GLY N N 22 114.819 114.819 113.999 0.820 19840 2654 1 10 . 1 1 22 22 GLY CA C 22 46.038 46.038 45.437 0.601 19840 2655 1 10 . 1 1 22 22 GLY H H 22 7.292 7.292 8.312 -1.020 19840 2656 1 10 . 1 1 23 23 GLY N N 23 111.300 111.300 106.586 4.714 19840 2657 1 10 . 1 1 23 23 GLY CA C 23 44.366 44.366 43.929 0.437 19840 2658 1 10 . 1 1 23 23 GLY H H 23 8.204 8.204 7.455 0.749 19840 2659 1 10 . 1 1 24 24 GLU N N 24 116.771 116.771 118.172 -1.401 19840 2660 1 10 . 1 1 24 24 GLU HA H 24 5.594 5.594 5.062 0.532 19840 2661 1 10 . 1 1 24 24 GLU CA C 24 53.749 53.749 55.448 -1.699 19840 2662 1 10 . 1 1 24 24 GLU CB C 24 35.193 35.193 33.193 2.000 19840 2663 1 10 . 1 1 24 24 GLU H H 24 8.131 8.131 8.305 -0.174 19840 2664 1 10 . 1 1 25 25 LEU N N 25 121.029 121.029 121.995 -0.966 19840 2665 1 10 . 1 1 25 25 LEU HA H 25 4.465 4.465 4.735 -0.270 19840 2666 1 10 . 1 1 25 25 LEU CA C 25 54.586 54.586 53.820 0.766 19840 2667 1 10 . 1 1 25 25 LEU CB C 25 49.054 49.054 46.930 2.124 19840 2668 1 10 . 1 1 25 25 LEU H H 25 8.899 8.899 8.953 -0.054 19840 2669 1 10 . 1 1 26 26 ARG N N 26 128.131 128.131 124.257 3.874 19840 2670 1 10 . 1 1 26 26 ARG HA H 26 4.864 4.864 4.626 0.238 19840 2671 1 10 . 1 1 26 26 ARG CA C 26 55.359 55.359 56.033 -0.674 19840 2672 1 10 . 1 1 26 26 ARG CB C 26 29.623 29.623 30.891 -1.268 19840 2673 1 10 . 1 1 26 26 ARG H H 26 8.604 8.604 8.540 0.064 19840 2674 1 10 . 1 1 27 27 ILE N N 27 129.246 129.246 125.579 3.667 19840 2675 1 10 . 1 1 27 27 ILE HA H 27 4.202 4.202 4.255 -0.053 19840 2676 1 10 . 1 1 27 27 ILE CA C 27 60.765 60.765 59.770 0.995 19840 2677 1 10 . 1 1 27 27 ILE CB C 27 40.383 40.383 41.517 -1.133 19840 2678 1 10 . 1 1 27 27 ILE H H 27 9.029 9.029 8.545 0.484 19840 2679 1 10 . 1 1 28 28 PHE N N 28 127.383 127.383 123.689 3.694 19840 2680 1 10 . 1 1 28 28 PHE HA H 28 3.968 3.968 5.109 -1.141 19840 2681 1 10 . 1 1 28 28 PHE CA C 28 58.921 58.921 55.850 3.071 19840 2682 1 10 . 1 1 28 28 PHE CB C 28 39.444 39.444 39.412 0.032 19840 2683 1 10 . 1 1 28 28 PHE H H 28 8.885 8.885 7.841 1.044 19840 2684 1 10 . 1 1 29 29 VAL N N 29 124.164 124.164 125.573 -1.409 19840 2685 1 10 . 1 1 29 29 VAL HA H 29 3.887 3.887 4.376 -0.489 19840 2686 1 10 . 1 1 29 29 VAL CA C 29 61.099 61.099 61.179 -0.080 19840 2687 1 10 . 1 1 29 29 VAL CB C 29 30.194 30.194 30.833 -0.639 19840 2688 1 10 . 1 1 29 29 VAL H H 29 8.396 8.396 8.601 -0.205 19840 2689 1 10 . 1 1 30 30 GLY N N 30 113.336 113.336 116.749 -3.413 19840 2690 1 10 . 1 1 30 30 GLY CA C 30 46.252 46.252 45.754 0.498 19840 2691 1 10 . 1 1 30 30 GLY H H 30 8.376 8.376 8.347 0.029 19840 2692 1 10 . 1 1 31 31 SER H H 31 8.290 8.290 8.574 -0.284 19840 2693 1 10 . 1 1 32 32 SER N N 32 114.602 114.602 116.622 -2.020 19840 2694 1 10 . 1 1 32 32 SER HA H 32 4.572 4.572 4.654 -0.082 19840 2695 1 10 . 1 1 32 32 SER CA C 32 59.632 59.632 58.647 0.986 19840 2696 1 10 . 1 1 32 32 SER CB C 32 64.882 64.882 63.706 1.176 19840 2697 1 10 . 1 1 32 32 SER H H 32 8.344 8.344 8.368 -0.024 19840 2698 1 10 . 1 1 33 33 HIS N N 33 114.790 114.790 120.139 -5.349 19840 2699 1 10 . 1 1 33 33 HIS HA H 33 4.881 4.881 4.700 0.181 19840 2700 1 10 . 1 1 33 33 HIS CA C 33 55.139 55.139 55.887 -0.748 19840 2701 1 10 . 1 1 33 33 HIS CB C 33 29.454 29.454 32.611 -3.157 19840 2702 1 10 . 1 1 33 33 HIS H H 33 7.586 7.586 8.169 -0.583 19840 2703 1 10 . 1 1 34 34 SER N N 34 112.452 112.452 117.658 -5.206 19840 2704 1 10 . 1 1 34 34 SER HA H 34 4.651 4.651 5.396 -0.745 19840 2705 1 10 . 1 1 34 34 SER CA C 34 56.296 56.296 57.001 -0.705 19840 2706 1 10 . 1 1 34 34 SER CB C 34 66.406 66.406 66.638 -0.232 19840 2707 1 10 . 1 1 34 34 SER H H 34 8.169 8.169 8.296 -0.127 19840 2708 1 10 . 1 1 35 35 TYR N N 35 116.118 116.118 119.577 -3.459 19840 2709 1 10 . 1 1 35 35 TYR HA H 35 5.047 5.047 4.719 0.328 19840 2710 1 10 . 1 1 35 35 TYR CA C 35 55.601 55.601 57.446 -1.845 19840 2711 1 10 . 1 1 35 35 TYR CB C 35 43.070 43.070 42.453 0.617 19840 2712 1 10 . 1 1 35 35 TYR H H 35 8.493 8.493 8.946 -0.453 19840 2713 1 10 . 1 1 36 36 LEU N N 36 125.430 125.430 125.749 -0.319 19840 2714 1 10 . 1 1 36 36 LEU HA H 36 4.565 4.565 4.739 -0.174 19840 2715 1 10 . 1 1 36 36 LEU CA C 36 53.796 53.796 54.730 -0.934 19840 2716 1 10 . 1 1 36 36 LEU CB C 36 41.810 41.810 43.449 -1.639 19840 2717 1 10 . 1 1 36 36 LEU H H 36 8.476 8.476 8.606 -0.130 19840 2718 1 10 . 1 1 37 37 ILE N N 37 129.763 129.763 127.111 2.652 19840 2719 1 10 . 1 1 37 37 ILE HA H 37 4.607 4.607 4.386 0.221 19840 2720 1 10 . 1 1 37 37 ILE CA C 37 57.337 57.337 59.043 -1.706 19840 2721 1 10 . 1 1 37 37 ILE CB C 37 37.601 37.601 38.132 -0.531 19840 2722 1 10 . 1 1 37 37 ILE H H 37 8.512 8.512 9.161 -0.649 19840 2723 1 10 . 1 1 38 38 LYS N N 38 125.927 125.927 128.457 -2.530 19840 2724 1 10 . 1 1 38 38 LYS HA H 38 4.958 4.958 4.911 0.047 19840 2725 1 10 . 1 1 38 38 LYS CA C 38 54.054 54.054 54.683 -0.629 19840 2726 1 10 . 1 1 38 38 LYS CB C 38 34.807 34.807 35.165 -0.358 19840 2727 1 10 . 1 1 38 38 LYS H H 38 8.849 8.849 8.788 0.061 19840 2728 1 10 . 1 1 39 39 ALA N N 39 124.260 124.260 131.295 -7.035 19840 2729 1 10 . 1 1 39 39 ALA HA H 39 5.671 5.671 5.293 0.378 19840 2730 1 10 . 1 1 39 39 ALA CA C 39 49.202 49.202 50.184 -0.983 19840 2731 1 10 . 1 1 39 39 ALA CB C 39 23.170 23.170 20.693 2.477 19840 2732 1 10 . 1 1 39 39 ALA H H 39 8.498 8.498 8.746 -0.248 19840 2733 1 10 . 1 1 40 40 THR N N 40 112.492 112.492 118.135 -5.643 19840 2734 1 10 . 1 1 40 40 THR HA H 40 4.651 4.651 4.387 0.264 19840 2735 1 10 . 1 1 40 40 THR CA C 40 60.482 60.482 60.730 -0.248 19840 2736 1 10 . 1 1 40 40 THR CB C 40 71.335 71.335 70.059 1.276 19840 2737 1 10 . 1 1 40 40 THR H H 40 8.996 8.996 8.246 0.750 19840 2738 1 10 . 1 1 41 41 SER H H 41 8.288 8.288 8.682 -0.394 19840 2739 1 10 . 1 1 42 42 SER N N 42 113.261 113.261 115.905 -2.644 19840 2740 1 10 . 1 1 42 42 SER HA H 42 4.636 4.636 4.510 0.126 19840 2741 1 10 . 1 1 42 42 SER CA C 42 57.101 57.101 57.807 -0.706 19840 2742 1 10 . 1 1 42 42 SER CB C 42 62.842 62.842 63.395 -0.553 19840 2743 1 10 . 1 1 42 42 SER H H 42 7.629 7.629 7.730 -0.101 19840 2744 1 10 . 1 1 43 43 CYS N N 43 111.527 111.527 116.774 -5.247 19840 2745 1 10 . 1 1 43 43 CYS HA H 43 4.311 4.311 4.187 0.124 19840 2746 1 10 . 1 1 43 43 CYS CA C 43 54.093 54.093 59.584 -5.491 19840 2747 1 10 . 1 1 43 43 CYS CB C 43 32.030 32.030 25.456 6.574 19840 2748 1 10 . 1 1 43 43 CYS H H 43 8.008 8.008 8.143 -0.135 19840 2749 1 10 . 1 1 44 44 GLY N N 44 107.262 107.262 107.080 0.182 19840 2750 1 10 . 1 1 44 44 GLY CA C 44 45.585 45.585 44.784 0.801 19840 2751 1 10 . 1 1 44 44 GLY H H 44 8.222 8.222 8.034 0.188 19840 2752 1 10 . 1 1 45 45 LEU N N 45 127.185 127.185 124.684 2.501 19840 2753 1 10 . 1 1 45 45 LEU HA H 45 5.586 5.586 5.333 0.253 19840 2754 1 10 . 1 1 45 45 LEU CA C 45 53.741 53.741 54.323 -0.582 19840 2755 1 10 . 1 1 45 45 LEU CB C 45 44.311 44.311 43.437 0.875 19840 2756 1 10 . 1 1 45 45 LEU H H 45 8.684 8.684 8.392 0.292 19840 2757 1 10 . 1 1 46 46 SER N N 46 114.241 114.241 115.332 -1.091 19840 2758 1 10 . 1 1 46 46 SER HA H 46 4.595 4.595 4.523 0.072 19840 2759 1 10 . 1 1 46 46 SER CA C 46 57.466 57.466 57.680 -0.214 19840 2760 1 10 . 1 1 46 46 SER CB C 46 65.844 65.844 64.822 1.022 19840 2761 1 10 . 1 1 46 46 SER H H 46 8.856 8.856 8.134 0.722 19840 2762 1 10 . 1 1 47 47 LEU N N 47 120.302 120.302 124.986 -4.684 19840 2763 1 10 . 1 1 47 47 LEU HA H 47 4.756 4.756 4.832 -0.076 19840 2764 1 10 . 1 1 47 47 LEU CA C 47 53.725 53.725 55.369 -1.644 19840 2765 1 10 . 1 1 47 47 LEU CB C 47 43.078 43.078 42.892 0.186 19840 2766 1 10 . 1 1 47 47 LEU H H 47 8.482 8.482 8.494 -0.012 19840 2767 1 10 . 1 1 48 48 THR N N 48 119.533 119.533 117.917 1.616 19840 2768 1 10 . 1 1 48 48 THR HA H 48 4.211 4.211 4.484 -0.273 19840 2769 1 10 . 1 1 48 48 THR CA C 48 63.095 63.095 61.741 1.354 19840 2770 1 10 . 1 1 48 48 THR CB C 48 69.170 69.170 69.146 0.024 19840 2771 1 10 . 1 1 48 48 THR H H 48 8.472 8.472 8.546 -0.074 19840 2772 1 10 . 1 1 49 49 ASN N N 49 120.348 120.348 121.137 -0.789 19840 2773 1 10 . 1 1 49 49 ASN HA H 49 4.511 4.511 4.474 0.037 19840 2774 1 10 . 1 1 49 49 ASN CA C 49 53.577 53.577 54.563 -0.986 19840 2775 1 10 . 1 1 49 49 ASN CB C 49 37.381 37.381 38.116 -0.735 19840 2776 1 10 . 1 1 49 49 ASN H H 49 8.967 8.967 8.673 0.294 19840 2777 1 10 . 1 1 50 50 GLN N N 50 114.907 114.907 116.318 -1.411 19840 2778 1 10 . 1 1 50 50 GLN HA H 50 4.672 4.672 4.465 0.207 19840 2779 1 10 . 1 1 50 50 GLN CA C 50 54.515 54.515 54.890 -0.375 19840 2780 1 10 . 1 1 50 50 GLN CB C 50 34.947 34.947 31.132 3.815 19840 2781 1 10 . 1 1 50 50 GLN H H 50 7.207 7.207 7.757 -0.550 19840 2782 1 10 . 1 1 51 51 VAL N N 51 112.350 112.350 115.509 -3.159 19840 2783 1 10 . 1 1 51 51 VAL HA H 51 4.430 4.430 4.496 -0.066 19840 2784 1 10 . 1 1 51 51 VAL CA C 51 59.441 59.441 59.069 0.372 19840 2785 1 10 . 1 1 51 51 VAL CB C 51 34.108 34.108 33.416 0.692 19840 2786 1 10 . 1 1 51 51 VAL H H 51 7.575 7.575 8.335 -0.760 19840 2787 1 10 . 1 1 52 52 PHE N N 52 119.853 119.853 119.752 0.101 19840 2788 1 10 . 1 1 52 52 PHE HA H 52 4.422 4.422 4.544 -0.122 19840 2789 1 10 . 1 1 52 52 PHE CA C 52 60.310 60.310 57.472 2.838 19840 2790 1 10 . 1 1 52 52 PHE CB C 52 40.650 40.650 40.688 -0.038 19840 2791 1 10 . 1 1 52 52 PHE H H 52 8.221 8.221 8.205 0.016 19840 2792 1 10 . 1 1 53 53 ILE N N 53 116.505 116.505 120.891 -4.386 19840 2793 1 10 . 1 1 53 53 ILE HA H 53 4.688 4.688 4.566 0.122 19840 2794 1 10 . 1 1 53 53 ILE CA C 53 59.582 59.582 60.186 -0.604 19840 2795 1 10 . 1 1 53 53 ILE CB C 53 41.131 41.131 41.043 0.088 19840 2796 1 10 . 1 1 53 53 ILE H H 53 8.436 8.436 8.312 0.124 19840 2797 1 10 . 1 1 54 54 ASN N N 54 113.329 113.329 119.439 -6.110 19840 2798 1 10 . 1 1 54 54 ASN HA H 54 4.351 4.351 4.420 -0.069 19840 2799 1 10 . 1 1 54 54 ASN CA C 54 54.129 54.129 53.804 0.325 19840 2800 1 10 . 1 1 54 54 ASN CB C 54 37.453 37.453 37.703 -0.250 19840 2801 1 10 . 1 1 54 54 ASN H H 54 8.889 8.889 9.040 -0.151 19840 2802 1 10 . 1 1 55 55 GLY N N 55 107.928 107.928 102.110 5.818 19840 2803 1 10 . 1 1 55 55 GLY CA C 55 46.132 46.132 45.600 0.532 19840 2804 1 10 . 1 1 55 55 GLY H H 55 8.911 8.911 8.507 0.404 19840 2805 1 10 . 1 1 56 56 GLU N N 56 119.227 119.227 120.792 -1.565 19840 2806 1 10 . 1 1 56 56 GLU HA H 56 4.590 4.590 4.493 0.097 19840 2807 1 10 . 1 1 56 56 GLU CA C 56 55.616 55.616 56.763 -1.147 19840 2808 1 10 . 1 1 56 56 GLU CB C 56 30.193 30.193 31.006 -0.813 19840 2809 1 10 . 1 1 56 56 GLU H H 56 7.646 7.646 7.906 -0.260 19840 2810 1 10 . 1 1 57 57 SER N N 57 109.621 109.621 113.766 -4.145 19840 2811 1 10 . 1 1 57 57 SER HA H 57 2.577 2.577 3.656 -1.079 19840 2812 1 10 . 1 1 57 57 SER CA C 57 57.073 57.073 56.503 0.570 19840 2813 1 10 . 1 1 57 57 SER CB C 57 64.367 64.367 65.604 -1.237 19840 2814 1 10 . 1 1 57 57 SER H H 57 7.939 7.939 8.272 -0.333 19840 2815 1 10 . 1 1 58 58 VAL N N 58 115.887 115.887 116.381 -0.494 19840 2816 1 10 . 1 1 58 58 VAL HA H 58 5.488 5.488 5.318 0.170 19840 2817 1 10 . 1 1 58 58 VAL CA C 58 57.914 57.914 59.931 -2.017 19840 2818 1 10 . 1 1 58 58 VAL CB C 58 34.794 34.794 33.943 0.851 19840 2819 1 10 . 1 1 58 58 VAL H H 58 7.721 7.721 8.244 -0.523 19840 2820 1 10 . 1 1 59 59 GLN N N 59 126.845 126.845 123.286 3.559 19840 2821 1 10 . 1 1 59 59 GLN HA H 59 4.669 4.669 4.638 0.031 19840 2822 1 10 . 1 1 59 59 GLN CA C 59 53.560 53.560 54.050 -0.490 19840 2823 1 10 . 1 1 59 59 GLN CB C 59 33.889 33.889 32.921 0.968 19840 2824 1 10 . 1 1 59 59 GLN H H 59 9.107 9.107 8.823 0.284 19840 2825 1 10 . 1 1 60 60 SER N N 60 119.479 119.479 121.155 -1.676 19840 2826 1 10 . 1 1 60 60 SER HA H 60 4.768 4.768 4.766 0.002 19840 2827 1 10 . 1 1 60 60 SER CA C 60 58.438 58.438 57.733 0.705 19840 2828 1 10 . 1 1 60 60 SER CB C 60 63.484 63.484 63.033 0.451 19840 2829 1 10 . 1 1 60 60 SER H H 60 8.959 8.959 8.857 0.102 19840 2830 1 10 . 1 1 61 61 GLY N N 61 113.757 113.757 112.741 1.016 19840 2831 1 10 . 1 1 61 61 GLY CA C 61 44.893 44.893 46.086 -1.193 19840 2832 1 10 . 1 1 61 61 GLY H H 61 8.287 8.287 8.260 0.027 19840 2833 1 10 . 1 1 62 62 GLY N N 62 108.329 108.329 106.985 1.344 19840 2834 1 10 . 1 1 62 62 GLY CA C 62 43.932 43.932 44.491 -0.559 19840 2835 1 10 . 1 1 62 62 GLY H H 62 7.868 7.868 7.389 0.479 19840 2836 1 10 . 1 1 63 63 ARG N N 63 122.424 122.424 121.374 1.050 19840 2837 1 10 . 1 1 63 63 ARG HA H 63 5.229 5.229 4.863 0.366 19840 2838 1 10 . 1 1 63 63 ARG CA C 63 54.037 54.037 54.980 -0.943 19840 2839 1 10 . 1 1 63 63 ARG CB C 63 31.849 31.849 31.377 0.472 19840 2840 1 10 . 1 1 63 63 ARG H H 63 8.730 8.730 8.295 0.435 19840 2841 1 11 . 1 1 2 2 CYS N N 2 119.737 119.737 117.453 2.284 19840 2842 1 11 . 1 1 2 2 CYS HA H 2 5.082 5.082 5.124 -0.042 19840 2843 1 11 . 1 1 2 2 CYS CA C 2 53.264 53.264 58.211 -4.947 19840 2844 1 11 . 1 1 2 2 CYS CB C 2 39.218 39.218 31.581 7.637 19840 2845 1 11 . 1 1 2 2 CYS H H 2 9.003 9.003 9.098 -0.095 19840 2846 1 11 . 1 1 3 3 VAL N N 3 126.716 126.716 119.870 6.846 19840 2847 1 11 . 1 1 3 3 VAL HA H 3 4.177 4.177 4.253 -0.076 19840 2848 1 11 . 1 1 3 3 VAL CA C 3 64.132 64.132 61.323 2.809 19840 2849 1 11 . 1 1 3 3 VAL CB C 3 31.608 31.608 34.614 -3.006 19840 2850 1 11 . 1 1 3 3 VAL H H 3 8.647 8.647 8.609 0.038 19840 2851 1 11 . 1 1 4 4 ALA N N 4 134.327 134.327 128.167 6.160 19840 2852 1 11 . 1 1 4 4 ALA HA H 4 4.773 4.773 4.822 -0.049 19840 2853 1 11 . 1 1 4 4 ALA CA C 4 49.964 49.964 50.186 -0.222 19840 2854 1 11 . 1 1 4 4 ALA CB C 4 22.047 22.047 21.937 0.110 19840 2855 1 11 . 1 1 4 4 ALA H H 4 9.282 9.282 9.057 0.225 19840 2856 1 11 . 1 1 5 5 ASN N N 5 119.560 119.560 120.183 -0.623 19840 2857 1 11 . 1 1 5 5 ASN HA H 5 5.516 5.516 5.365 0.151 19840 2858 1 11 . 1 1 5 5 ASN CA C 5 50.853 50.853 51.926 -1.073 19840 2859 1 11 . 1 1 5 5 ASN CB C 5 40.194 40.194 43.222 -3.028 19840 2860 1 11 . 1 1 5 5 ASN H H 5 8.760 8.760 8.586 0.174 19840 2861 1 11 . 1 1 6 6 ILE N N 6 123.118 123.118 122.498 0.620 19840 2862 1 11 . 1 1 6 6 ILE HA H 6 4.961 4.961 5.052 -0.091 19840 2863 1 11 . 1 1 6 6 ILE CA C 6 57.398 57.398 59.425 -2.027 19840 2864 1 11 . 1 1 6 6 ILE CB C 6 35.561 35.561 39.459 -3.898 19840 2865 1 11 . 1 1 6 6 ILE H H 6 9.093 9.093 8.612 0.481 19840 2866 1 11 . 1 1 7 7 LEU N N 7 128.607 128.607 125.652 2.955 19840 2867 1 11 . 1 1 7 7 LEU HA H 7 5.399 5.399 5.044 0.355 19840 2868 1 11 . 1 1 7 7 LEU CA C 7 52.382 52.382 53.446 -1.064 19840 2869 1 11 . 1 1 7 7 LEU CB C 7 44.218 44.218 44.580 -0.362 19840 2870 1 11 . 1 1 7 7 LEU H H 7 8.896 8.896 8.961 -0.065 19840 2871 1 11 . 1 1 8 8 ASN N N 8 114.552 114.552 119.229 -4.677 19840 2872 1 11 . 1 1 8 8 ASN HA H 8 4.847 4.847 4.899 -0.052 19840 2873 1 11 . 1 1 8 8 ASN CA C 8 50.359 50.359 51.651 -1.292 19840 2874 1 11 . 1 1 8 8 ASN CB C 8 39.476 39.476 39.161 0.315 19840 2875 1 11 . 1 1 8 8 ASN H H 8 8.341 8.341 8.526 -0.185 19840 2876 1 11 . 1 1 9 9 ILE N N 9 120.261 120.261 119.235 1.026 19840 2877 1 11 . 1 1 9 9 ILE HA H 9 4.013 4.013 4.097 -0.084 19840 2878 1 11 . 1 1 9 9 ILE CA C 9 63.509 63.509 63.358 0.152 19840 2879 1 11 . 1 1 9 9 ILE CB C 9 38.538 38.538 38.294 0.243 19840 2880 1 11 . 1 1 9 9 ILE H H 9 8.713 8.713 8.538 0.175 19840 2881 1 11 . 1 1 10 10 ASN N N 10 117.798 117.798 116.439 1.359 19840 2882 1 11 . 1 1 10 10 ASN HA H 10 4.897 4.897 4.769 0.128 19840 2883 1 11 . 1 1 10 10 ASN CA C 10 52.939 52.939 53.111 -0.172 19840 2884 1 11 . 1 1 10 10 ASN CB C 10 38.741 38.741 38.998 -0.257 19840 2885 1 11 . 1 1 10 10 ASN H H 10 7.242 7.242 8.025 -0.783 19840 2886 1 11 . 1 1 11 11 GLU N N 11 112.166 112.166 114.700 -2.534 19840 2887 1 11 . 1 1 11 11 GLU HA H 11 3.548 3.548 3.882 -0.334 19840 2888 1 11 . 1 1 11 11 GLU CA C 11 58.111 58.111 57.504 0.607 19840 2889 1 11 . 1 1 11 11 GLU CB C 11 25.932 25.932 26.797 -0.865 19840 2890 1 11 . 1 1 11 11 GLU H H 11 8.242 8.242 8.159 0.083 19840 2891 1 11 . 1 1 12 12 ALA N N 12 121.641 121.641 121.025 0.616 19840 2892 1 11 . 1 1 12 12 ALA HA H 12 4.502 4.502 4.624 -0.122 19840 2893 1 11 . 1 1 12 12 ALA CA C 12 50.413 50.413 50.576 -0.163 19840 2894 1 11 . 1 1 12 12 ALA CB C 12 19.623 19.623 20.668 -1.045 19840 2895 1 11 . 1 1 12 12 ALA H H 12 7.798 7.798 8.743 -0.945 19840 2896 1 11 . 1 1 13 13 VAL N N 13 121.315 121.315 126.497 -5.182 19840 2897 1 11 . 1 1 13 13 VAL HA H 13 4.076 4.076 4.015 0.061 19840 2898 1 11 . 1 1 13 13 VAL CA C 13 63.484 63.484 64.687 -1.203 19840 2899 1 11 . 1 1 13 13 VAL CB C 13 31.277 31.277 30.496 0.781 19840 2900 1 11 . 1 1 13 13 VAL H H 13 8.512 8.512 8.826 -0.314 19840 2901 1 11 . 1 1 14 14 ILE N N 14 121.921 121.921 123.372 -1.451 19840 2902 1 11 . 1 1 14 14 ILE HA H 14 4.635 4.635 4.535 0.100 19840 2903 1 11 . 1 1 14 14 ILE CA C 14 61.188 61.188 60.837 0.351 19840 2904 1 11 . 1 1 14 14 ILE CB C 14 39.644 39.644 38.726 0.918 19840 2905 1 11 . 1 1 14 14 ILE H H 14 9.293 9.293 9.047 0.246 19840 2906 1 11 . 1 1 15 15 ALA N N 15 123.193 123.193 122.988 0.205 19840 2907 1 11 . 1 1 15 15 ALA HA H 15 4.624 4.624 4.824 -0.200 19840 2908 1 11 . 1 1 15 15 ALA CA C 15 52.546 52.546 51.345 1.201 19840 2909 1 11 . 1 1 15 15 ALA CB C 15 22.693 22.693 22.036 0.657 19840 2910 1 11 . 1 1 15 15 ALA H H 15 7.941 7.941 7.876 0.065 19840 2911 1 11 . 1 1 16 16 THR N N 16 114.723 114.723 111.366 3.357 19840 2912 1 11 . 1 1 16 16 THR HA H 16 5.738 5.738 5.466 0.272 19840 2913 1 11 . 1 1 16 16 THR CA C 16 60.046 60.046 60.398 -0.352 19840 2914 1 11 . 1 1 16 16 THR CB C 16 70.929 70.929 72.372 -1.443 19840 2915 1 11 . 1 1 16 16 THR H H 16 8.582 8.582 8.533 0.049 19840 2916 1 11 . 1 1 17 17 GLY N N 17 111.166 111.166 108.271 2.895 19840 2917 1 11 . 1 1 17 17 GLY CA C 17 45.095 45.095 45.224 -0.129 19840 2918 1 11 . 1 1 17 17 GLY H H 17 8.576 8.576 8.381 0.195 19840 2919 1 11 . 1 1 18 18 CYS N N 18 121.493 121.493 120.365 1.128 19840 2920 1 11 . 1 1 18 18 CYS HA H 18 4.930 4.930 4.894 0.035 19840 2921 1 11 . 1 1 18 18 CYS CA C 18 53.999 53.999 57.540 -3.541 19840 2922 1 11 . 1 1 18 18 CYS CB C 18 39.899 39.899 28.139 11.760 19840 2923 1 11 . 1 1 18 18 CYS H H 18 8.622 8.622 8.509 0.113 19840 2924 1 11 . 1 1 19 19 VAL N N 19 131.185 131.185 127.104 4.081 19840 2925 1 11 . 1 1 19 19 VAL HA H 19 4.019 4.019 4.654 -0.635 19840 2926 1 11 . 1 1 19 19 VAL CA C 19 59.537 59.537 58.558 0.979 19840 2927 1 11 . 1 1 19 19 VAL CB C 19 33.825 33.825 34.969 -1.144 19840 2928 1 11 . 1 1 19 19 VAL H H 19 9.414 9.414 9.168 0.246 19840 2929 1 11 . 1 1 20 20 PRO HA H 20 4.012 4.012 4.431 -0.419 19840 2930 1 11 . 1 1 20 20 PRO CA C 20 62.492 62.492 62.485 0.007 19840 2931 1 11 . 1 1 20 20 PRO CB C 20 31.931 31.931 32.356 -0.425 19840 2932 1 11 . 1 1 21 21 ALA N N 21 127.518 127.518 121.021 6.497 19840 2933 1 11 . 1 1 21 21 ALA HA H 21 3.907 3.907 4.185 -0.278 19840 2934 1 11 . 1 1 21 21 ALA CA C 21 53.558 53.558 52.135 1.423 19840 2935 1 11 . 1 1 21 21 ALA CB C 21 17.717 17.717 18.629 -0.912 19840 2936 1 11 . 1 1 21 21 ALA H H 21 8.147 8.147 8.089 0.058 19840 2937 1 11 . 1 1 22 22 GLY N N 22 114.819 114.819 112.675 2.144 19840 2938 1 11 . 1 1 22 22 GLY CA C 22 46.038 46.038 45.191 0.847 19840 2939 1 11 . 1 1 22 22 GLY H H 22 7.292 7.292 8.262 -0.970 19840 2940 1 11 . 1 1 23 23 GLY N N 23 111.300 111.300 107.675 3.625 19840 2941 1 11 . 1 1 23 23 GLY CA C 23 44.366 44.366 44.113 0.253 19840 2942 1 11 . 1 1 23 23 GLY H H 23 8.204 8.204 7.608 0.596 19840 2943 1 11 . 1 1 24 24 GLU N N 24 116.771 116.771 118.269 -1.498 19840 2944 1 11 . 1 1 24 24 GLU HA H 24 5.594 5.594 5.212 0.382 19840 2945 1 11 . 1 1 24 24 GLU CA C 24 53.749 53.749 55.657 -1.908 19840 2946 1 11 . 1 1 24 24 GLU CB C 24 35.193 35.193 33.056 2.136 19840 2947 1 11 . 1 1 24 24 GLU H H 24 8.131 8.131 8.396 -0.265 19840 2948 1 11 . 1 1 25 25 LEU N N 25 121.029 121.029 124.160 -3.131 19840 2949 1 11 . 1 1 25 25 LEU HA H 25 4.465 4.465 4.698 -0.233 19840 2950 1 11 . 1 1 25 25 LEU CA C 25 54.586 54.586 53.952 0.634 19840 2951 1 11 . 1 1 25 25 LEU CB C 25 49.054 49.054 46.497 2.557 19840 2952 1 11 . 1 1 25 25 LEU H H 25 8.899 8.899 8.919 -0.020 19840 2953 1 11 . 1 1 26 26 ARG N N 26 128.131 128.131 124.263 3.868 19840 2954 1 11 . 1 1 26 26 ARG HA H 26 4.864 4.864 4.672 0.192 19840 2955 1 11 . 1 1 26 26 ARG CA C 26 55.359 55.359 55.674 -0.315 19840 2956 1 11 . 1 1 26 26 ARG CB C 26 29.623 29.623 30.851 -1.228 19840 2957 1 11 . 1 1 26 26 ARG H H 26 8.604 8.604 8.484 0.120 19840 2958 1 11 . 1 1 27 27 ILE N N 27 129.246 129.246 126.077 3.169 19840 2959 1 11 . 1 1 27 27 ILE HA H 27 4.202 4.202 3.908 0.294 19840 2960 1 11 . 1 1 27 27 ILE CA C 27 60.765 60.765 59.767 0.998 19840 2961 1 11 . 1 1 27 27 ILE CB C 27 40.383 40.383 40.846 -0.464 19840 2962 1 11 . 1 1 27 27 ILE H H 27 9.029 9.029 8.596 0.433 19840 2963 1 11 . 1 1 28 28 PHE N N 28 127.383 127.383 124.283 3.100 19840 2964 1 11 . 1 1 28 28 PHE HA H 28 3.968 3.968 4.831 -0.863 19840 2965 1 11 . 1 1 28 28 PHE CA C 28 58.921 58.921 56.532 2.389 19840 2966 1 11 . 1 1 28 28 PHE CB C 28 39.444 39.444 38.536 0.908 19840 2967 1 11 . 1 1 28 28 PHE H H 28 8.885 8.885 8.219 0.666 19840 2968 1 11 . 1 1 29 29 VAL N N 29 124.164 124.164 121.382 2.782 19840 2969 1 11 . 1 1 29 29 VAL HA H 29 3.887 3.887 4.592 -0.705 19840 2970 1 11 . 1 1 29 29 VAL CA C 29 61.099 61.099 59.644 1.455 19840 2971 1 11 . 1 1 29 29 VAL CB C 29 30.194 30.194 30.724 -0.530 19840 2972 1 11 . 1 1 29 29 VAL H H 29 8.396 8.396 8.473 -0.077 19840 2973 1 11 . 1 1 30 30 GLY N N 30 113.336 113.336 113.066 0.270 19840 2974 1 11 . 1 1 30 30 GLY CA C 30 46.252 46.252 45.178 1.074 19840 2975 1 11 . 1 1 30 30 GLY H H 30 8.376 8.376 7.937 0.439 19840 2976 1 11 . 1 1 31 31 SER H H 31 8.290 8.290 8.720 -0.430 19840 2977 1 11 . 1 1 32 32 SER N N 32 114.602 114.602 117.628 -3.026 19840 2978 1 11 . 1 1 32 32 SER HA H 32 4.572 4.572 4.240 0.332 19840 2979 1 11 . 1 1 32 32 SER CA C 32 59.632 59.632 59.259 0.373 19840 2980 1 11 . 1 1 32 32 SER CB C 32 64.882 64.882 63.646 1.236 19840 2981 1 11 . 1 1 32 32 SER H H 32 8.344 8.344 8.261 0.083 19840 2982 1 11 . 1 1 33 33 HIS N N 33 114.790 114.790 118.663 -3.873 19840 2983 1 11 . 1 1 33 33 HIS HA H 33 4.881 4.881 4.842 0.039 19840 2984 1 11 . 1 1 33 33 HIS CA C 33 55.139 55.139 54.887 0.252 19840 2985 1 11 . 1 1 33 33 HIS CB C 33 29.454 29.454 31.818 -2.364 19840 2986 1 11 . 1 1 33 33 HIS H H 33 7.586 7.586 7.661 -0.075 19840 2987 1 11 . 1 1 34 34 SER N N 34 112.452 112.452 114.092 -1.640 19840 2988 1 11 . 1 1 34 34 SER HA H 34 4.651 4.651 5.109 -0.458 19840 2989 1 11 . 1 1 34 34 SER CA C 34 56.296 56.296 57.712 -1.416 19840 2990 1 11 . 1 1 34 34 SER CB C 34 66.406 66.406 66.181 0.225 19840 2991 1 11 . 1 1 34 34 SER H H 34 8.169 8.169 8.494 -0.325 19840 2992 1 11 . 1 1 35 35 TYR N N 35 116.118 116.118 120.493 -4.375 19840 2993 1 11 . 1 1 35 35 TYR HA H 35 5.047 5.047 4.904 0.143 19840 2994 1 11 . 1 1 35 35 TYR CA C 35 55.601 55.601 57.618 -2.017 19840 2995 1 11 . 1 1 35 35 TYR CB C 35 43.070 43.070 42.996 0.074 19840 2996 1 11 . 1 1 35 35 TYR H H 35 8.493 8.493 8.758 -0.265 19840 2997 1 11 . 1 1 36 36 LEU N N 36 125.430 125.430 125.580 -0.150 19840 2998 1 11 . 1 1 36 36 LEU HA H 36 4.565 4.565 4.744 -0.179 19840 2999 1 11 . 1 1 36 36 LEU CA C 36 53.796 53.796 54.846 -1.050 19840 3000 1 11 . 1 1 36 36 LEU CB C 36 41.810 41.810 43.398 -1.588 19840 3001 1 11 . 1 1 36 36 LEU H H 36 8.476 8.476 8.920 -0.444 19840 3002 1 11 . 1 1 37 37 ILE N N 37 129.763 129.763 126.739 3.024 19840 3003 1 11 . 1 1 37 37 ILE HA H 37 4.607 4.607 4.641 -0.034 19840 3004 1 11 . 1 1 37 37 ILE CA C 37 57.337 57.337 58.359 -1.022 19840 3005 1 11 . 1 1 37 37 ILE CB C 37 37.601 37.601 38.998 -1.397 19840 3006 1 11 . 1 1 37 37 ILE H H 37 8.512 8.512 9.189 -0.677 19840 3007 1 11 . 1 1 38 38 LYS N N 38 125.927 125.927 126.638 -0.711 19840 3008 1 11 . 1 1 38 38 LYS HA H 38 4.958 4.958 5.069 -0.111 19840 3009 1 11 . 1 1 38 38 LYS CA C 38 54.054 54.054 54.172 -0.118 19840 3010 1 11 . 1 1 38 38 LYS CB C 38 34.807 34.807 34.054 0.753 19840 3011 1 11 . 1 1 38 38 LYS H H 38 8.849 8.849 9.178 -0.329 19840 3012 1 11 . 1 1 39 39 ALA N N 39 124.260 124.260 128.880 -4.620 19840 3013 1 11 . 1 1 39 39 ALA HA H 39 5.671 5.671 5.290 0.381 19840 3014 1 11 . 1 1 39 39 ALA CA C 39 49.202 49.202 50.024 -0.822 19840 3015 1 11 . 1 1 39 39 ALA CB C 39 23.170 23.170 20.912 2.258 19840 3016 1 11 . 1 1 39 39 ALA H H 39 8.498 8.498 8.873 -0.375 19840 3017 1 11 . 1 1 40 40 THR N N 40 112.492 112.492 115.928 -3.436 19840 3018 1 11 . 1 1 40 40 THR HA H 40 4.651 4.651 4.492 0.159 19840 3019 1 11 . 1 1 40 40 THR CA C 40 60.482 60.482 60.945 -0.463 19840 3020 1 11 . 1 1 40 40 THR CB C 40 71.335 71.335 69.885 1.450 19840 3021 1 11 . 1 1 40 40 THR H H 40 8.996 8.996 8.279 0.717 19840 3022 1 11 . 1 1 41 41 SER H H 41 8.288 8.288 8.645 -0.357 19840 3023 1 11 . 1 1 42 42 SER N N 42 113.261 113.261 115.191 -1.930 19840 3024 1 11 . 1 1 42 42 SER HA H 42 4.636 4.636 4.599 0.037 19840 3025 1 11 . 1 1 42 42 SER CA C 42 57.101 57.101 58.397 -1.296 19840 3026 1 11 . 1 1 42 42 SER CB C 42 62.842 62.842 63.523 -0.681 19840 3027 1 11 . 1 1 42 42 SER H H 42 7.629 7.629 7.703 -0.074 19840 3028 1 11 . 1 1 43 43 CYS N N 43 111.527 111.527 117.107 -5.580 19840 3029 1 11 . 1 1 43 43 CYS HA H 43 4.311 4.311 4.120 0.191 19840 3030 1 11 . 1 1 43 43 CYS CA C 43 54.093 54.093 59.685 -5.592 19840 3031 1 11 . 1 1 43 43 CYS CB C 43 32.030 32.030 25.362 6.668 19840 3032 1 11 . 1 1 43 43 CYS H H 43 8.008 8.008 7.769 0.239 19840 3033 1 11 . 1 1 44 44 GLY N N 44 107.262 107.262 107.535 -0.273 19840 3034 1 11 . 1 1 44 44 GLY CA C 44 45.585 45.585 44.938 0.647 19840 3035 1 11 . 1 1 44 44 GLY H H 44 8.222 8.222 7.737 0.485 19840 3036 1 11 . 1 1 45 45 LEU N N 45 127.185 127.185 125.889 1.296 19840 3037 1 11 . 1 1 45 45 LEU HA H 45 5.586 5.586 5.402 0.184 19840 3038 1 11 . 1 1 45 45 LEU CA C 45 53.741 53.741 54.332 -0.591 19840 3039 1 11 . 1 1 45 45 LEU CB C 45 44.311 44.311 43.662 0.649 19840 3040 1 11 . 1 1 45 45 LEU H H 45 8.684 8.684 8.362 0.322 19840 3041 1 11 . 1 1 46 46 SER N N 46 114.241 114.241 116.180 -1.939 19840 3042 1 11 . 1 1 46 46 SER HA H 46 4.595 4.595 4.584 0.011 19840 3043 1 11 . 1 1 46 46 SER CA C 46 57.466 57.466 57.794 -0.328 19840 3044 1 11 . 1 1 46 46 SER CB C 46 65.844 65.844 65.834 0.010 19840 3045 1 11 . 1 1 46 46 SER H H 46 8.856 8.856 8.068 0.788 19840 3046 1 11 . 1 1 47 47 LEU N N 47 120.302 120.302 122.492 -2.190 19840 3047 1 11 . 1 1 47 47 LEU HA H 47 4.756 4.756 4.835 -0.079 19840 3048 1 11 . 1 1 47 47 LEU CA C 47 53.725 53.725 54.887 -1.162 19840 3049 1 11 . 1 1 47 47 LEU CB C 47 43.078 43.078 43.481 -0.403 19840 3050 1 11 . 1 1 47 47 LEU H H 47 8.482 8.482 8.651 -0.169 19840 3051 1 11 . 1 1 48 48 THR N N 48 119.533 119.533 118.158 1.375 19840 3052 1 11 . 1 1 48 48 THR HA H 48 4.211 4.211 4.345 -0.134 19840 3053 1 11 . 1 1 48 48 THR CA C 48 63.095 63.095 62.549 0.546 19840 3054 1 11 . 1 1 48 48 THR CB C 48 69.170 69.170 67.632 1.538 19840 3055 1 11 . 1 1 48 48 THR H H 48 8.472 8.472 8.696 -0.224 19840 3056 1 11 . 1 1 49 49 ASN N N 49 120.348 120.348 120.370 -0.022 19840 3057 1 11 . 1 1 49 49 ASN HA H 49 4.511 4.511 4.477 0.034 19840 3058 1 11 . 1 1 49 49 ASN CA C 49 53.577 53.577 54.409 -0.832 19840 3059 1 11 . 1 1 49 49 ASN CB C 49 37.381 37.381 37.738 -0.357 19840 3060 1 11 . 1 1 49 49 ASN H H 49 8.967 8.967 8.410 0.557 19840 3061 1 11 . 1 1 50 50 GLN N N 50 114.907 114.907 116.924 -2.017 19840 3062 1 11 . 1 1 50 50 GLN HA H 50 4.672 4.672 4.520 0.152 19840 3063 1 11 . 1 1 50 50 GLN CA C 50 54.515 54.515 54.943 -0.428 19840 3064 1 11 . 1 1 50 50 GLN CB C 50 34.947 34.947 31.883 3.064 19840 3065 1 11 . 1 1 50 50 GLN H H 50 7.207 7.207 7.921 -0.714 19840 3066 1 11 . 1 1 51 51 VAL N N 51 112.350 112.350 115.294 -2.944 19840 3067 1 11 . 1 1 51 51 VAL HA H 51 4.430 4.430 4.620 -0.190 19840 3068 1 11 . 1 1 51 51 VAL CA C 51 59.441 59.441 60.086 -0.645 19840 3069 1 11 . 1 1 51 51 VAL CB C 51 34.108 34.108 33.474 0.634 19840 3070 1 11 . 1 1 51 51 VAL H H 51 7.575 7.575 8.104 -0.529 19840 3071 1 11 . 1 1 52 52 PHE N N 52 119.853 119.853 117.166 2.687 19840 3072 1 11 . 1 1 52 52 PHE HA H 52 4.422 4.422 5.015 -0.593 19840 3073 1 11 . 1 1 52 52 PHE CA C 52 60.310 60.310 56.205 4.106 19840 3074 1 11 . 1 1 52 52 PHE CB C 52 40.650 40.650 40.988 -0.338 19840 3075 1 11 . 1 1 52 52 PHE H H 52 8.221 8.221 7.857 0.364 19840 3076 1 11 . 1 1 53 53 ILE N N 53 116.505 116.505 114.107 2.398 19840 3077 1 11 . 1 1 53 53 ILE HA H 53 4.688 4.688 4.386 0.302 19840 3078 1 11 . 1 1 53 53 ILE CA C 53 59.582 59.582 60.333 -0.751 19840 3079 1 11 . 1 1 53 53 ILE CB C 53 41.131 41.131 41.458 -0.327 19840 3080 1 11 . 1 1 53 53 ILE H H 53 8.436 8.436 8.395 0.041 19840 3081 1 11 . 1 1 54 54 ASN N N 54 113.329 113.329 118.586 -5.257 19840 3082 1 11 . 1 1 54 54 ASN HA H 54 4.351 4.351 4.451 -0.100 19840 3083 1 11 . 1 1 54 54 ASN CA C 54 54.129 54.129 54.171 -0.042 19840 3084 1 11 . 1 1 54 54 ASN CB C 54 37.453 37.453 36.783 0.669 19840 3085 1 11 . 1 1 54 54 ASN H H 54 8.889 8.889 9.140 -0.251 19840 3086 1 11 . 1 1 55 55 GLY N N 55 107.928 107.928 100.250 7.678 19840 3087 1 11 . 1 1 55 55 GLY CA C 55 46.132 46.132 45.613 0.519 19840 3088 1 11 . 1 1 55 55 GLY H H 55 8.911 8.911 8.515 0.396 19840 3089 1 11 . 1 1 56 56 GLU N N 56 119.227 119.227 121.100 -1.873 19840 3090 1 11 . 1 1 56 56 GLU HA H 56 4.590 4.590 4.811 -0.221 19840 3091 1 11 . 1 1 56 56 GLU CA C 56 55.616 55.616 56.765 -1.149 19840 3092 1 11 . 1 1 56 56 GLU CB C 56 30.193 30.193 31.011 -0.818 19840 3093 1 11 . 1 1 56 56 GLU H H 56 7.646 7.646 8.378 -0.732 19840 3094 1 11 . 1 1 57 57 SER N N 57 109.621 109.621 119.975 -10.354 19840 3095 1 11 . 1 1 57 57 SER HA H 57 2.577 2.577 4.572 -1.995 19840 3096 1 11 . 1 1 57 57 SER CA C 57 57.073 57.073 56.874 0.199 19840 3097 1 11 . 1 1 57 57 SER CB C 57 64.367 64.367 65.431 -1.064 19840 3098 1 11 . 1 1 57 57 SER H H 57 7.939 7.939 8.510 -0.571 19840 3099 1 11 . 1 1 58 58 VAL N N 58 115.887 115.887 120.345 -4.458 19840 3100 1 11 . 1 1 58 58 VAL HA H 58 5.488 5.488 5.042 0.446 19840 3101 1 11 . 1 1 58 58 VAL CA C 58 57.914 57.914 59.661 -1.747 19840 3102 1 11 . 1 1 58 58 VAL CB C 58 34.794 34.794 34.458 0.336 19840 3103 1 11 . 1 1 58 58 VAL H H 58 7.721 7.721 8.241 -0.520 19840 3104 1 11 . 1 1 59 59 GLN N N 59 126.845 126.845 126.482 0.363 19840 3105 1 11 . 1 1 59 59 GLN HA H 59 4.669 4.669 4.611 0.058 19840 3106 1 11 . 1 1 59 59 GLN CA C 59 53.560 53.560 53.750 -0.190 19840 3107 1 11 . 1 1 59 59 GLN CB C 59 33.889 33.889 33.401 0.488 19840 3108 1 11 . 1 1 59 59 GLN H H 59 9.107 9.107 9.028 0.079 19840 3109 1 11 . 1 1 60 60 SER N N 60 119.479 119.479 116.901 2.578 19840 3110 1 11 . 1 1 60 60 SER HA H 60 4.768 4.768 4.896 -0.128 19840 3111 1 11 . 1 1 60 60 SER CA C 60 58.438 58.438 56.958 1.480 19840 3112 1 11 . 1 1 60 60 SER CB C 60 63.484 63.484 63.340 0.144 19840 3113 1 11 . 1 1 60 60 SER H H 60 8.959 8.959 8.555 0.404 19840 3114 1 11 . 1 1 61 61 GLY N N 61 113.757 113.757 112.843 0.914 19840 3115 1 11 . 1 1 61 61 GLY CA C 61 44.893 44.893 45.421 -0.528 19840 3116 1 11 . 1 1 61 61 GLY H H 61 8.287 8.287 8.425 -0.138 19840 3117 1 11 . 1 1 62 62 GLY N N 62 108.329 108.329 107.818 0.511 19840 3118 1 11 . 1 1 62 62 GLY CA C 62 43.932 43.932 44.371 -0.439 19840 3119 1 11 . 1 1 62 62 GLY H H 62 7.868 7.868 7.474 0.394 19840 3120 1 11 . 1 1 63 63 ARG N N 63 122.424 122.424 121.258 1.166 19840 3121 1 11 . 1 1 63 63 ARG HA H 63 5.229 5.229 4.562 0.667 19840 3122 1 11 . 1 1 63 63 ARG CA C 63 54.037 54.037 55.265 -1.228 19840 3123 1 11 . 1 1 63 63 ARG CB C 63 31.849 31.849 30.947 0.902 19840 3124 1 11 . 1 1 63 63 ARG H H 63 8.730 8.730 8.109 0.621 19840 3125 1 12 . 1 1 2 2 CYS N N 2 119.737 119.737 117.856 1.881 19840 3126 1 12 . 1 1 2 2 CYS HA H 2 5.082 5.082 5.125 -0.043 19840 3127 1 12 . 1 1 2 2 CYS CA C 2 53.264 53.264 58.236 -4.972 19840 3128 1 12 . 1 1 2 2 CYS CB C 2 39.218 39.218 31.187 8.031 19840 3129 1 12 . 1 1 2 2 CYS H H 2 9.003 9.003 8.908 0.095 19840 3130 1 12 . 1 1 3 3 VAL N N 3 126.716 126.716 120.121 6.595 19840 3131 1 12 . 1 1 3 3 VAL HA H 3 4.177 4.177 4.227 -0.050 19840 3132 1 12 . 1 1 3 3 VAL CA C 3 64.132 64.132 61.586 2.546 19840 3133 1 12 . 1 1 3 3 VAL CB C 3 31.608 31.608 34.055 -2.447 19840 3134 1 12 . 1 1 3 3 VAL H H 3 8.647 8.647 8.516 0.131 19840 3135 1 12 . 1 1 4 4 ALA N N 4 134.327 134.327 128.240 6.087 19840 3136 1 12 . 1 1 4 4 ALA HA H 4 4.773 4.773 4.861 -0.088 19840 3137 1 12 . 1 1 4 4 ALA CA C 4 49.964 49.964 50.205 -0.241 19840 3138 1 12 . 1 1 4 4 ALA CB C 4 22.047 22.047 22.099 -0.051 19840 3139 1 12 . 1 1 4 4 ALA H H 4 9.282 9.282 8.681 0.601 19840 3140 1 12 . 1 1 5 5 ASN N N 5 119.560 119.560 119.890 -0.330 19840 3141 1 12 . 1 1 5 5 ASN HA H 5 5.516 5.516 5.354 0.162 19840 3142 1 12 . 1 1 5 5 ASN CA C 5 50.853 50.853 51.919 -1.066 19840 3143 1 12 . 1 1 5 5 ASN CB C 5 40.194 40.194 43.323 -3.129 19840 3144 1 12 . 1 1 5 5 ASN H H 5 8.760 8.760 8.613 0.147 19840 3145 1 12 . 1 1 6 6 ILE N N 6 123.118 123.118 122.352 0.766 19840 3146 1 12 . 1 1 6 6 ILE HA H 6 4.961 4.961 4.894 0.067 19840 3147 1 12 . 1 1 6 6 ILE CA C 6 57.398 57.398 59.512 -2.114 19840 3148 1 12 . 1 1 6 6 ILE CB C 6 35.561 35.561 38.939 -3.378 19840 3149 1 12 . 1 1 6 6 ILE H H 6 9.093 9.093 8.575 0.518 19840 3150 1 12 . 1 1 7 7 LEU N N 7 128.607 128.607 126.123 2.484 19840 3151 1 12 . 1 1 7 7 LEU HA H 7 5.399 5.399 5.096 0.303 19840 3152 1 12 . 1 1 7 7 LEU CA C 7 52.382 52.382 53.413 -1.032 19840 3153 1 12 . 1 1 7 7 LEU CB C 7 44.218 44.218 44.575 -0.357 19840 3154 1 12 . 1 1 7 7 LEU H H 7 8.896 8.896 9.055 -0.159 19840 3155 1 12 . 1 1 8 8 ASN N N 8 114.552 114.552 118.844 -4.292 19840 3156 1 12 . 1 1 8 8 ASN HA H 8 4.847 4.847 4.981 -0.134 19840 3157 1 12 . 1 1 8 8 ASN CA C 8 50.359 50.359 51.544 -1.185 19840 3158 1 12 . 1 1 8 8 ASN CB C 8 39.476 39.476 39.081 0.395 19840 3159 1 12 . 1 1 8 8 ASN H H 8 8.341 8.341 8.334 0.007 19840 3160 1 12 . 1 1 9 9 ILE N N 9 120.261 120.261 118.169 2.092 19840 3161 1 12 . 1 1 9 9 ILE HA H 9 4.013 4.013 4.038 -0.025 19840 3162 1 12 . 1 1 9 9 ILE CA C 9 63.509 63.509 63.997 -0.488 19840 3163 1 12 . 1 1 9 9 ILE CB C 9 38.538 38.538 37.888 0.650 19840 3164 1 12 . 1 1 9 9 ILE H H 9 8.713 8.713 8.558 0.155 19840 3165 1 12 . 1 1 10 10 ASN N N 10 117.798 117.798 116.282 1.516 19840 3166 1 12 . 1 1 10 10 ASN HA H 10 4.897 4.897 4.754 0.143 19840 3167 1 12 . 1 1 10 10 ASN CA C 10 52.939 52.939 52.788 0.151 19840 3168 1 12 . 1 1 10 10 ASN CB C 10 38.741 38.741 38.593 0.148 19840 3169 1 12 . 1 1 10 10 ASN H H 10 7.242 7.242 8.049 -0.807 19840 3170 1 12 . 1 1 11 11 GLU N N 11 112.166 112.166 115.088 -2.922 19840 3171 1 12 . 1 1 11 11 GLU HA H 11 3.548 3.548 3.875 -0.327 19840 3172 1 12 . 1 1 11 11 GLU CA C 11 58.111 58.111 57.544 0.567 19840 3173 1 12 . 1 1 11 11 GLU CB C 11 25.932 25.932 26.891 -0.959 19840 3174 1 12 . 1 1 11 11 GLU H H 11 8.242 8.242 8.191 0.051 19840 3175 1 12 . 1 1 12 12 ALA N N 12 121.641 121.641 121.060 0.581 19840 3176 1 12 . 1 1 12 12 ALA HA H 12 4.502 4.502 4.613 -0.111 19840 3177 1 12 . 1 1 12 12 ALA CA C 12 50.413 50.413 50.733 -0.320 19840 3178 1 12 . 1 1 12 12 ALA CB C 12 19.623 19.623 20.631 -1.008 19840 3179 1 12 . 1 1 12 12 ALA H H 12 7.798 7.798 8.667 -0.869 19840 3180 1 12 . 1 1 13 13 VAL N N 13 121.315 121.315 126.401 -5.086 19840 3181 1 12 . 1 1 13 13 VAL HA H 13 4.076 4.076 3.983 0.093 19840 3182 1 12 . 1 1 13 13 VAL CA C 13 63.484 63.484 64.393 -0.909 19840 3183 1 12 . 1 1 13 13 VAL CB C 13 31.277 31.277 31.360 -0.083 19840 3184 1 12 . 1 1 13 13 VAL H H 13 8.512 8.512 8.793 -0.281 19840 3185 1 12 . 1 1 14 14 ILE N N 14 121.921 121.921 123.517 -1.596 19840 3186 1 12 . 1 1 14 14 ILE HA H 14 4.635 4.635 4.542 0.093 19840 3187 1 12 . 1 1 14 14 ILE CA C 14 61.188 61.188 60.683 0.505 19840 3188 1 12 . 1 1 14 14 ILE CB C 14 39.644 39.644 38.675 0.969 19840 3189 1 12 . 1 1 14 14 ILE H H 14 9.293 9.293 9.048 0.245 19840 3190 1 12 . 1 1 15 15 ALA N N 15 123.193 123.193 122.782 0.411 19840 3191 1 12 . 1 1 15 15 ALA HA H 15 4.624 4.624 4.857 -0.233 19840 3192 1 12 . 1 1 15 15 ALA CA C 15 52.546 52.546 51.228 1.318 19840 3193 1 12 . 1 1 15 15 ALA CB C 15 22.693 22.693 22.234 0.459 19840 3194 1 12 . 1 1 15 15 ALA H H 15 7.941 7.941 7.835 0.106 19840 3195 1 12 . 1 1 16 16 THR N N 16 114.723 114.723 111.716 3.007 19840 3196 1 12 . 1 1 16 16 THR HA H 16 5.738 5.738 5.624 0.114 19840 3197 1 12 . 1 1 16 16 THR CA C 16 60.046 60.046 60.196 -0.150 19840 3198 1 12 . 1 1 16 16 THR CB C 16 70.929 70.929 72.323 -1.394 19840 3199 1 12 . 1 1 16 16 THR H H 16 8.582 8.582 8.595 -0.013 19840 3200 1 12 . 1 1 17 17 GLY N N 17 111.166 111.166 108.709 2.457 19840 3201 1 12 . 1 1 17 17 GLY CA C 17 45.095 45.095 45.156 -0.061 19840 3202 1 12 . 1 1 17 17 GLY H H 17 8.576 8.576 8.512 0.064 19840 3203 1 12 . 1 1 18 18 CYS N N 18 121.493 121.493 119.906 1.587 19840 3204 1 12 . 1 1 18 18 CYS HA H 18 4.930 4.930 4.882 0.048 19840 3205 1 12 . 1 1 18 18 CYS CA C 18 53.999 53.999 57.918 -3.919 19840 3206 1 12 . 1 1 18 18 CYS CB C 18 39.899 39.899 28.515 11.384 19840 3207 1 12 . 1 1 18 18 CYS H H 18 8.622 8.622 8.509 0.113 19840 3208 1 12 . 1 1 19 19 VAL N N 19 131.185 131.185 128.538 2.647 19840 3209 1 12 . 1 1 19 19 VAL HA H 19 4.019 4.019 4.587 -0.568 19840 3210 1 12 . 1 1 19 19 VAL CA C 19 59.537 59.537 59.532 0.005 19840 3211 1 12 . 1 1 19 19 VAL CB C 19 33.825 33.825 34.729 -0.904 19840 3212 1 12 . 1 1 19 19 VAL H H 19 9.414 9.414 9.012 0.402 19840 3213 1 12 . 1 1 20 20 PRO HA H 20 4.012 4.012 4.556 -0.544 19840 3214 1 12 . 1 1 20 20 PRO CA C 20 62.492 62.492 62.458 0.034 19840 3215 1 12 . 1 1 20 20 PRO CB C 20 31.931 31.931 32.165 -0.234 19840 3216 1 12 . 1 1 21 21 ALA N N 21 127.518 127.518 121.259 6.259 19840 3217 1 12 . 1 1 21 21 ALA HA H 21 3.907 3.907 4.166 -0.259 19840 3218 1 12 . 1 1 21 21 ALA CA C 21 53.558 53.558 51.805 1.753 19840 3219 1 12 . 1 1 21 21 ALA CB C 21 17.717 17.717 18.728 -1.011 19840 3220 1 12 . 1 1 21 21 ALA H H 21 8.147 8.147 8.022 0.125 19840 3221 1 12 . 1 1 22 22 GLY N N 22 114.819 114.819 113.027 1.792 19840 3222 1 12 . 1 1 22 22 GLY CA C 22 46.038 46.038 45.323 0.715 19840 3223 1 12 . 1 1 22 22 GLY H H 22 7.292 7.292 8.176 -0.884 19840 3224 1 12 . 1 1 23 23 GLY N N 23 111.300 111.300 108.381 2.919 19840 3225 1 12 . 1 1 23 23 GLY CA C 23 44.366 44.366 44.412 -0.046 19840 3226 1 12 . 1 1 23 23 GLY H H 23 8.204 8.204 7.625 0.579 19840 3227 1 12 . 1 1 24 24 GLU N N 24 116.771 116.771 118.289 -1.518 19840 3228 1 12 . 1 1 24 24 GLU HA H 24 5.594 5.594 4.889 0.705 19840 3229 1 12 . 1 1 24 24 GLU CA C 24 53.749 53.749 55.819 -2.070 19840 3230 1 12 . 1 1 24 24 GLU CB C 24 35.193 35.193 32.949 2.244 19840 3231 1 12 . 1 1 24 24 GLU H H 24 8.131 8.131 8.309 -0.178 19840 3232 1 12 . 1 1 25 25 LEU N N 25 121.029 121.029 122.418 -1.389 19840 3233 1 12 . 1 1 25 25 LEU HA H 25 4.465 4.465 4.698 -0.233 19840 3234 1 12 . 1 1 25 25 LEU CA C 25 54.586 54.586 54.080 0.506 19840 3235 1 12 . 1 1 25 25 LEU CB C 25 49.054 49.054 46.914 2.140 19840 3236 1 12 . 1 1 25 25 LEU H H 25 8.899 8.899 8.913 -0.014 19840 3237 1 12 . 1 1 26 26 ARG N N 26 128.131 128.131 123.466 4.665 19840 3238 1 12 . 1 1 26 26 ARG HA H 26 4.864 4.864 4.688 0.176 19840 3239 1 12 . 1 1 26 26 ARG CA C 26 55.359 55.359 55.599 -0.240 19840 3240 1 12 . 1 1 26 26 ARG CB C 26 29.623 29.623 30.810 -1.187 19840 3241 1 12 . 1 1 26 26 ARG H H 26 8.604 8.604 8.463 0.141 19840 3242 1 12 . 1 1 27 27 ILE N N 27 129.246 129.246 126.441 2.805 19840 3243 1 12 . 1 1 27 27 ILE HA H 27 4.202 4.202 3.932 0.270 19840 3244 1 12 . 1 1 27 27 ILE CA C 27 60.765 60.765 59.991 0.774 19840 3245 1 12 . 1 1 27 27 ILE CB C 27 40.383 40.383 40.558 -0.175 19840 3246 1 12 . 1 1 27 27 ILE H H 27 9.029 9.029 8.538 0.491 19840 3247 1 12 . 1 1 28 28 PHE N N 28 127.383 127.383 125.760 1.623 19840 3248 1 12 . 1 1 28 28 PHE HA H 28 3.968 3.968 4.864 -0.896 19840 3249 1 12 . 1 1 28 28 PHE CA C 28 58.921 58.921 57.094 1.827 19840 3250 1 12 . 1 1 28 28 PHE CB C 28 39.444 39.444 38.822 0.622 19840 3251 1 12 . 1 1 28 28 PHE H H 28 8.885 8.885 8.264 0.621 19840 3252 1 12 . 1 1 29 29 VAL N N 29 124.164 124.164 121.114 3.050 19840 3253 1 12 . 1 1 29 29 VAL HA H 29 3.887 3.887 4.516 -0.629 19840 3254 1 12 . 1 1 29 29 VAL CA C 29 61.099 61.099 60.959 0.140 19840 3255 1 12 . 1 1 29 29 VAL CB C 29 30.194 30.194 33.925 -3.731 19840 3256 1 12 . 1 1 29 29 VAL H H 29 8.396 8.396 8.153 0.243 19840 3257 1 12 . 1 1 30 30 GLY N N 30 113.336 113.336 115.522 -2.186 19840 3258 1 12 . 1 1 30 30 GLY CA C 30 46.252 46.252 44.922 1.330 19840 3259 1 12 . 1 1 30 30 GLY H H 30 8.376 8.376 8.716 -0.340 19840 3260 1 12 . 1 1 31 31 SER H H 31 8.290 8.290 8.383 -0.093 19840 3261 1 12 . 1 1 32 32 SER N N 32 114.602 114.602 112.871 1.731 19840 3262 1 12 . 1 1 32 32 SER HA H 32 4.572 4.572 4.502 0.070 19840 3263 1 12 . 1 1 32 32 SER CA C 32 59.632 59.632 58.623 1.009 19840 3264 1 12 . 1 1 32 32 SER CB C 32 64.882 64.882 63.870 1.012 19840 3265 1 12 . 1 1 32 32 SER H H 32 8.344 8.344 7.843 0.501 19840 3266 1 12 . 1 1 33 33 HIS N N 33 114.790 114.790 119.802 -5.012 19840 3267 1 12 . 1 1 33 33 HIS HA H 33 4.881 4.881 4.909 -0.028 19840 3268 1 12 . 1 1 33 33 HIS CA C 33 55.139 55.139 54.440 0.699 19840 3269 1 12 . 1 1 33 33 HIS CB C 33 29.454 29.454 32.268 -2.814 19840 3270 1 12 . 1 1 33 33 HIS H H 33 7.586 7.586 7.837 -0.251 19840 3271 1 12 . 1 1 34 34 SER N N 34 112.452 112.452 113.583 -1.131 19840 3272 1 12 . 1 1 34 34 SER HA H 34 4.651 4.651 5.193 -0.542 19840 3273 1 12 . 1 1 34 34 SER CA C 34 56.296 56.296 57.628 -1.332 19840 3274 1 12 . 1 1 34 34 SER CB C 34 66.406 66.406 66.262 0.144 19840 3275 1 12 . 1 1 34 34 SER H H 34 8.169 8.169 8.280 -0.111 19840 3276 1 12 . 1 1 35 35 TYR N N 35 116.118 116.118 119.542 -3.424 19840 3277 1 12 . 1 1 35 35 TYR HA H 35 5.047 5.047 4.843 0.204 19840 3278 1 12 . 1 1 35 35 TYR CA C 35 55.601 55.601 57.640 -2.039 19840 3279 1 12 . 1 1 35 35 TYR CB C 35 43.070 43.070 42.763 0.307 19840 3280 1 12 . 1 1 35 35 TYR H H 35 8.493 8.493 8.813 -0.320 19840 3281 1 12 . 1 1 36 36 LEU N N 36 125.430 125.430 126.088 -0.658 19840 3282 1 12 . 1 1 36 36 LEU HA H 36 4.565 4.565 4.714 -0.149 19840 3283 1 12 . 1 1 36 36 LEU CA C 36 53.796 53.796 55.026 -1.230 19840 3284 1 12 . 1 1 36 36 LEU CB C 36 41.810 41.810 43.227 -1.417 19840 3285 1 12 . 1 1 36 36 LEU H H 36 8.476 8.476 8.908 -0.432 19840 3286 1 12 . 1 1 37 37 ILE N N 37 129.763 129.763 126.845 2.918 19840 3287 1 12 . 1 1 37 37 ILE HA H 37 4.607 4.607 4.430 0.177 19840 3288 1 12 . 1 1 37 37 ILE CA C 37 57.337 57.337 58.951 -1.614 19840 3289 1 12 . 1 1 37 37 ILE CB C 37 37.601 37.601 39.218 -1.617 19840 3290 1 12 . 1 1 37 37 ILE H H 37 8.512 8.512 9.116 -0.604 19840 3291 1 12 . 1 1 38 38 LYS N N 38 125.927 125.927 126.982 -1.055 19840 3292 1 12 . 1 1 38 38 LYS HA H 38 4.958 4.958 4.979 -0.021 19840 3293 1 12 . 1 1 38 38 LYS CA C 38 54.054 54.054 54.534 -0.480 19840 3294 1 12 . 1 1 38 38 LYS CB C 38 34.807 34.807 35.162 -0.355 19840 3295 1 12 . 1 1 38 38 LYS H H 38 8.849 8.849 8.899 -0.050 19840 3296 1 12 . 1 1 39 39 ALA N N 39 124.260 124.260 126.473 -2.213 19840 3297 1 12 . 1 1 39 39 ALA HA H 39 5.671 5.671 5.449 0.222 19840 3298 1 12 . 1 1 39 39 ALA CA C 39 49.202 49.202 50.035 -0.833 19840 3299 1 12 . 1 1 39 39 ALA CB C 39 23.170 23.170 21.587 1.583 19840 3300 1 12 . 1 1 39 39 ALA H H 39 8.498 8.498 8.643 -0.145 19840 3301 1 12 . 1 1 40 40 THR N N 40 112.492 112.492 117.446 -4.954 19840 3302 1 12 . 1 1 40 40 THR HA H 40 4.651 4.651 4.459 0.192 19840 3303 1 12 . 1 1 40 40 THR CA C 40 60.482 60.482 60.922 -0.440 19840 3304 1 12 . 1 1 40 40 THR CB C 40 71.335 71.335 70.362 0.973 19840 3305 1 12 . 1 1 40 40 THR H H 40 8.996 8.996 8.266 0.730 19840 3306 1 12 . 1 1 41 41 SER H H 41 8.288 8.288 8.704 -0.416 19840 3307 1 12 . 1 1 42 42 SER N N 42 113.261 113.261 115.074 -1.813 19840 3308 1 12 . 1 1 42 42 SER HA H 42 4.636 4.636 4.484 0.152 19840 3309 1 12 . 1 1 42 42 SER CA C 42 57.101 57.101 58.536 -1.435 19840 3310 1 12 . 1 1 42 42 SER CB C 42 62.842 62.842 63.598 -0.756 19840 3311 1 12 . 1 1 42 42 SER H H 42 7.629 7.629 7.785 -0.156 19840 3312 1 12 . 1 1 43 43 CYS N N 43 111.527 111.527 116.704 -5.177 19840 3313 1 12 . 1 1 43 43 CYS HA H 43 4.311 4.311 4.191 0.120 19840 3314 1 12 . 1 1 43 43 CYS CA C 43 54.093 54.093 59.474 -5.380 19840 3315 1 12 . 1 1 43 43 CYS CB C 43 32.030 32.030 25.429 6.601 19840 3316 1 12 . 1 1 43 43 CYS H H 43 8.008 8.008 8.156 -0.148 19840 3317 1 12 . 1 1 44 44 GLY N N 44 107.262 107.262 106.365 0.897 19840 3318 1 12 . 1 1 44 44 GLY CA C 44 45.585 45.585 44.685 0.900 19840 3319 1 12 . 1 1 44 44 GLY H H 44 8.222 8.222 8.114 0.108 19840 3320 1 12 . 1 1 45 45 LEU N N 45 127.185 127.185 124.074 3.111 19840 3321 1 12 . 1 1 45 45 LEU HA H 45 5.586 5.586 5.581 0.005 19840 3322 1 12 . 1 1 45 45 LEU CA C 45 53.741 53.741 54.111 -0.370 19840 3323 1 12 . 1 1 45 45 LEU CB C 45 44.311 44.311 43.748 0.563 19840 3324 1 12 . 1 1 45 45 LEU H H 45 8.684 8.684 8.314 0.370 19840 3325 1 12 . 1 1 46 46 SER N N 46 114.241 114.241 116.102 -1.861 19840 3326 1 12 . 1 1 46 46 SER HA H 46 4.595 4.595 4.578 0.017 19840 3327 1 12 . 1 1 46 46 SER CA C 46 57.466 57.466 57.770 -0.304 19840 3328 1 12 . 1 1 46 46 SER CB C 46 65.844 65.844 65.423 0.421 19840 3329 1 12 . 1 1 46 46 SER H H 46 8.856 8.856 8.101 0.755 19840 3330 1 12 . 1 1 47 47 LEU N N 47 120.302 120.302 124.061 -3.759 19840 3331 1 12 . 1 1 47 47 LEU HA H 47 4.756 4.756 4.684 0.072 19840 3332 1 12 . 1 1 47 47 LEU CA C 47 53.725 53.725 54.988 -1.263 19840 3333 1 12 . 1 1 47 47 LEU CB C 47 43.078 43.078 43.714 -0.636 19840 3334 1 12 . 1 1 47 47 LEU H H 47 8.482 8.482 8.644 -0.162 19840 3335 1 12 . 1 1 48 48 THR N N 48 119.533 119.533 117.256 2.277 19840 3336 1 12 . 1 1 48 48 THR HA H 48 4.211 4.211 4.451 -0.240 19840 3337 1 12 . 1 1 48 48 THR CA C 48 63.095 63.095 61.264 1.831 19840 3338 1 12 . 1 1 48 48 THR CB C 48 69.170 69.170 68.827 0.343 19840 3339 1 12 . 1 1 48 48 THR H H 48 8.472 8.472 8.630 -0.158 19840 3340 1 12 . 1 1 49 49 ASN N N 49 120.348 120.348 121.322 -0.974 19840 3341 1 12 . 1 1 49 49 ASN HA H 49 4.511 4.511 4.446 0.065 19840 3342 1 12 . 1 1 49 49 ASN CA C 49 53.577 53.577 54.398 -0.821 19840 3343 1 12 . 1 1 49 49 ASN CB C 49 37.381 37.381 38.444 -1.063 19840 3344 1 12 . 1 1 49 49 ASN H H 49 8.967 8.967 8.640 0.327 19840 3345 1 12 . 1 1 50 50 GLN N N 50 114.907 114.907 117.491 -2.584 19840 3346 1 12 . 1 1 50 50 GLN HA H 50 4.672 4.672 4.410 0.262 19840 3347 1 12 . 1 1 50 50 GLN CA C 50 54.515 54.515 55.046 -0.531 19840 3348 1 12 . 1 1 50 50 GLN CB C 50 34.947 34.947 31.175 3.772 19840 3349 1 12 . 1 1 50 50 GLN H H 50 7.207 7.207 7.953 -0.746 19840 3350 1 12 . 1 1 51 51 VAL N N 51 112.350 112.350 116.684 -4.334 19840 3351 1 12 . 1 1 51 51 VAL HA H 51 4.430 4.430 4.498 -0.068 19840 3352 1 12 . 1 1 51 51 VAL CA C 51 59.441 59.441 59.209 0.233 19840 3353 1 12 . 1 1 51 51 VAL CB C 51 34.108 34.108 33.777 0.331 19840 3354 1 12 . 1 1 51 51 VAL H H 51 7.575 7.575 8.058 -0.483 19840 3355 1 12 . 1 1 52 52 PHE N N 52 119.853 119.853 122.347 -2.494 19840 3356 1 12 . 1 1 52 52 PHE HA H 52 4.422 4.422 4.592 -0.170 19840 3357 1 12 . 1 1 52 52 PHE CA C 52 60.310 60.310 56.727 3.583 19840 3358 1 12 . 1 1 52 52 PHE CB C 52 40.650 40.650 39.899 0.751 19840 3359 1 12 . 1 1 52 52 PHE H H 52 8.221 8.221 8.137 0.084 19840 3360 1 12 . 1 1 53 53 ILE N N 53 116.505 116.505 114.497 2.008 19840 3361 1 12 . 1 1 53 53 ILE HA H 53 4.688 4.688 4.384 0.304 19840 3362 1 12 . 1 1 53 53 ILE CA C 53 59.582 59.582 60.230 -0.648 19840 3363 1 12 . 1 1 53 53 ILE CB C 53 41.131 41.131 41.309 -0.178 19840 3364 1 12 . 1 1 53 53 ILE H H 53 8.436 8.436 8.333 0.103 19840 3365 1 12 . 1 1 54 54 ASN N N 54 113.329 113.329 118.168 -4.839 19840 3366 1 12 . 1 1 54 54 ASN HA H 54 4.351 4.351 4.486 -0.135 19840 3367 1 12 . 1 1 54 54 ASN CA C 54 54.129 54.129 54.085 0.044 19840 3368 1 12 . 1 1 54 54 ASN CB C 54 37.453 37.453 37.674 -0.221 19840 3369 1 12 . 1 1 54 54 ASN H H 54 8.889 8.889 9.054 -0.165 19840 3370 1 12 . 1 1 55 55 GLY N N 55 107.928 107.928 100.605 7.323 19840 3371 1 12 . 1 1 55 55 GLY CA C 55 46.132 46.132 45.804 0.328 19840 3372 1 12 . 1 1 55 55 GLY H H 55 8.911 8.911 8.572 0.339 19840 3373 1 12 . 1 1 56 56 GLU N N 56 119.227 119.227 119.914 -0.687 19840 3374 1 12 . 1 1 56 56 GLU HA H 56 4.590 4.590 4.991 -0.401 19840 3375 1 12 . 1 1 56 56 GLU CA C 56 55.616 55.616 55.415 0.201 19840 3376 1 12 . 1 1 56 56 GLU CB C 56 30.193 30.193 32.875 -2.682 19840 3377 1 12 . 1 1 56 56 GLU H H 56 7.646 7.646 8.254 -0.608 19840 3378 1 12 . 1 1 57 57 SER N N 57 109.621 109.621 117.222 -7.601 19840 3379 1 12 . 1 1 57 57 SER HA H 57 2.577 2.577 4.566 -1.989 19840 3380 1 12 . 1 1 57 57 SER CA C 57 57.073 57.073 57.021 0.052 19840 3381 1 12 . 1 1 57 57 SER CB C 57 64.367 64.367 65.314 -0.947 19840 3382 1 12 . 1 1 57 57 SER H H 57 7.939 7.939 8.751 -0.812 19840 3383 1 12 . 1 1 58 58 VAL N N 58 115.887 115.887 120.144 -4.257 19840 3384 1 12 . 1 1 58 58 VAL HA H 58 5.488 5.488 5.191 0.297 19840 3385 1 12 . 1 1 58 58 VAL CA C 58 57.914 57.914 59.261 -1.347 19840 3386 1 12 . 1 1 58 58 VAL CB C 58 34.794 34.794 35.304 -0.510 19840 3387 1 12 . 1 1 58 58 VAL H H 58 7.721 7.721 8.185 -0.464 19840 3388 1 12 . 1 1 59 59 GLN N N 59 126.845 126.845 123.415 3.430 19840 3389 1 12 . 1 1 59 59 GLN HA H 59 4.669 4.669 4.590 0.079 19840 3390 1 12 . 1 1 59 59 GLN CA C 59 53.560 53.560 54.184 -0.624 19840 3391 1 12 . 1 1 59 59 GLN CB C 59 33.889 33.889 33.292 0.597 19840 3392 1 12 . 1 1 59 59 GLN H H 59 9.107 9.107 8.886 0.221 19840 3393 1 12 . 1 1 60 60 SER N N 60 119.479 119.479 117.032 2.447 19840 3394 1 12 . 1 1 60 60 SER HA H 60 4.768 4.768 4.900 -0.132 19840 3395 1 12 . 1 1 60 60 SER CA C 60 58.438 58.438 57.143 1.295 19840 3396 1 12 . 1 1 60 60 SER CB C 60 63.484 63.484 63.391 0.093 19840 3397 1 12 . 1 1 60 60 SER H H 60 8.959 8.959 8.566 0.393 19840 3398 1 12 . 1 1 61 61 GLY N N 61 113.757 113.757 112.857 0.900 19840 3399 1 12 . 1 1 61 61 GLY CA C 61 44.893 44.893 45.335 -0.442 19840 3400 1 12 . 1 1 61 61 GLY H H 61 8.287 8.287 8.389 -0.102 19840 3401 1 12 . 1 1 62 62 GLY N N 62 108.329 108.329 107.148 1.181 19840 3402 1 12 . 1 1 62 62 GLY CA C 62 43.932 43.932 44.292 -0.360 19840 3403 1 12 . 1 1 62 62 GLY H H 62 7.868 7.868 7.363 0.505 19840 3404 1 12 . 1 1 63 63 ARG N N 63 122.424 122.424 120.943 1.481 19840 3405 1 12 . 1 1 63 63 ARG HA H 63 5.229 5.229 4.493 0.736 19840 3406 1 12 . 1 1 63 63 ARG CA C 63 54.037 54.037 55.790 -1.753 19840 3407 1 12 . 1 1 63 63 ARG CB C 63 31.849 31.849 30.665 1.184 19840 3408 1 12 . 1 1 63 63 ARG H H 63 8.730 8.730 8.275 0.455 19840 3409 1 13 . 1 1 2 2 CYS N N 2 119.737 119.737 117.901 1.836 19840 3410 1 13 . 1 1 2 2 CYS HA H 2 5.082 5.082 5.306 -0.224 19840 3411 1 13 . 1 1 2 2 CYS CA C 2 53.264 53.264 58.298 -5.034 19840 3412 1 13 . 1 1 2 2 CYS CB C 2 39.218 39.218 32.483 6.735 19840 3413 1 13 . 1 1 2 2 CYS H H 2 9.003 9.003 8.637 0.366 19840 3414 1 13 . 1 1 3 3 VAL N N 3 126.716 126.716 119.523 7.193 19840 3415 1 13 . 1 1 3 3 VAL HA H 3 4.177 4.177 4.534 -0.357 19840 3416 1 13 . 1 1 3 3 VAL CA C 3 64.132 64.132 60.685 3.447 19840 3417 1 13 . 1 1 3 3 VAL CB C 3 31.608 31.608 34.577 -2.969 19840 3418 1 13 . 1 1 3 3 VAL H H 3 8.647 8.647 8.423 0.224 19840 3419 1 13 . 1 1 4 4 ALA N N 4 134.327 134.327 130.172 4.155 19840 3420 1 13 . 1 1 4 4 ALA HA H 4 4.773 4.773 4.827 -0.054 19840 3421 1 13 . 1 1 4 4 ALA CA C 4 49.964 49.964 50.348 -0.384 19840 3422 1 13 . 1 1 4 4 ALA CB C 4 22.047 22.047 22.040 0.008 19840 3423 1 13 . 1 1 4 4 ALA H H 4 9.282 9.282 9.102 0.180 19840 3424 1 13 . 1 1 5 5 ASN N N 5 119.560 119.560 120.103 -0.543 19840 3425 1 13 . 1 1 5 5 ASN HA H 5 5.516 5.516 5.377 0.139 19840 3426 1 13 . 1 1 5 5 ASN CA C 5 50.853 50.853 51.816 -0.963 19840 3427 1 13 . 1 1 5 5 ASN CB C 5 40.194 40.194 43.300 -3.106 19840 3428 1 13 . 1 1 5 5 ASN H H 5 8.760 8.760 8.755 0.005 19840 3429 1 13 . 1 1 6 6 ILE N N 6 123.118 123.118 122.894 0.224 19840 3430 1 13 . 1 1 6 6 ILE HA H 6 4.961 4.961 4.939 0.022 19840 3431 1 13 . 1 1 6 6 ILE CA C 6 57.398 57.398 59.572 -2.174 19840 3432 1 13 . 1 1 6 6 ILE CB C 6 35.561 35.561 38.638 -3.077 19840 3433 1 13 . 1 1 6 6 ILE H H 6 9.093 9.093 8.616 0.477 19840 3434 1 13 . 1 1 7 7 LEU N N 7 128.607 128.607 127.534 1.073 19840 3435 1 13 . 1 1 7 7 LEU HA H 7 5.399 5.399 5.074 0.325 19840 3436 1 13 . 1 1 7 7 LEU CA C 7 52.382 52.382 53.442 -1.060 19840 3437 1 13 . 1 1 7 7 LEU CB C 7 44.218 44.218 44.053 0.165 19840 3438 1 13 . 1 1 7 7 LEU H H 7 8.896 8.896 9.157 -0.261 19840 3439 1 13 . 1 1 8 8 ASN N N 8 114.552 114.552 119.274 -4.722 19840 3440 1 13 . 1 1 8 8 ASN HA H 8 4.847 4.847 4.878 -0.031 19840 3441 1 13 . 1 1 8 8 ASN CA C 8 50.359 50.359 51.689 -1.330 19840 3442 1 13 . 1 1 8 8 ASN CB C 8 39.476 39.476 39.150 0.326 19840 3443 1 13 . 1 1 8 8 ASN H H 8 8.341 8.341 8.415 -0.074 19840 3444 1 13 . 1 1 9 9 ILE N N 9 120.261 120.261 119.187 1.074 19840 3445 1 13 . 1 1 9 9 ILE HA H 9 4.013 4.013 4.090 -0.077 19840 3446 1 13 . 1 1 9 9 ILE CA C 9 63.509 63.509 63.042 0.467 19840 3447 1 13 . 1 1 9 9 ILE CB C 9 38.538 38.538 38.212 0.326 19840 3448 1 13 . 1 1 9 9 ILE H H 9 8.713 8.713 8.476 0.237 19840 3449 1 13 . 1 1 10 10 ASN N N 10 117.798 117.798 116.906 0.892 19840 3450 1 13 . 1 1 10 10 ASN HA H 10 4.897 4.897 4.805 0.092 19840 3451 1 13 . 1 1 10 10 ASN CA C 10 52.939 52.939 53.229 -0.290 19840 3452 1 13 . 1 1 10 10 ASN CB C 10 38.741 38.741 39.121 -0.380 19840 3453 1 13 . 1 1 10 10 ASN H H 10 7.242 7.242 8.095 -0.853 19840 3454 1 13 . 1 1 11 11 GLU N N 11 112.166 112.166 114.526 -2.360 19840 3455 1 13 . 1 1 11 11 GLU HA H 11 3.548 3.548 3.878 -0.330 19840 3456 1 13 . 1 1 11 11 GLU CA C 11 58.111 58.111 57.513 0.598 19840 3457 1 13 . 1 1 11 11 GLU CB C 11 25.932 25.932 26.800 -0.869 19840 3458 1 13 . 1 1 11 11 GLU H H 11 8.242 8.242 8.165 0.077 19840 3459 1 13 . 1 1 12 12 ALA N N 12 121.641 121.641 121.194 0.447 19840 3460 1 13 . 1 1 12 12 ALA HA H 12 4.502 4.502 4.598 -0.096 19840 3461 1 13 . 1 1 12 12 ALA CA C 12 50.413 50.413 50.710 -0.297 19840 3462 1 13 . 1 1 12 12 ALA CB C 12 19.623 19.623 20.615 -0.992 19840 3463 1 13 . 1 1 12 12 ALA H H 12 7.798 7.798 8.656 -0.858 19840 3464 1 13 . 1 1 13 13 VAL N N 13 121.315 121.315 126.470 -5.155 19840 3465 1 13 . 1 1 13 13 VAL HA H 13 4.076 4.076 3.941 0.135 19840 3466 1 13 . 1 1 13 13 VAL CA C 13 63.484 63.484 64.068 -0.584 19840 3467 1 13 . 1 1 13 13 VAL CB C 13 31.277 31.277 30.934 0.343 19840 3468 1 13 . 1 1 13 13 VAL H H 13 8.512 8.512 8.835 -0.323 19840 3469 1 13 . 1 1 14 14 ILE N N 14 121.921 121.921 124.035 -2.114 19840 3470 1 13 . 1 1 14 14 ILE HA H 14 4.635 4.635 4.565 0.070 19840 3471 1 13 . 1 1 14 14 ILE CA C 14 61.188 61.188 60.993 0.195 19840 3472 1 13 . 1 1 14 14 ILE CB C 14 39.644 39.644 38.625 1.019 19840 3473 1 13 . 1 1 14 14 ILE H H 14 9.293 9.293 9.144 0.149 19840 3474 1 13 . 1 1 15 15 ALA N N 15 123.193 123.193 122.971 0.222 19840 3475 1 13 . 1 1 15 15 ALA HA H 15 4.624 4.624 4.923 -0.299 19840 3476 1 13 . 1 1 15 15 ALA CA C 15 52.546 52.546 51.228 1.318 19840 3477 1 13 . 1 1 15 15 ALA CB C 15 22.693 22.693 22.181 0.512 19840 3478 1 13 . 1 1 15 15 ALA H H 15 7.941 7.941 7.868 0.073 19840 3479 1 13 . 1 1 16 16 THR N N 16 114.723 114.723 111.499 3.224 19840 3480 1 13 . 1 1 16 16 THR HA H 16 5.738 5.738 5.477 0.261 19840 3481 1 13 . 1 1 16 16 THR CA C 16 60.046 60.046 60.506 -0.460 19840 3482 1 13 . 1 1 16 16 THR CB C 16 70.929 70.929 72.331 -1.401 19840 3483 1 13 . 1 1 16 16 THR H H 16 8.582 8.582 8.545 0.037 19840 3484 1 13 . 1 1 17 17 GLY N N 17 111.166 111.166 108.976 2.190 19840 3485 1 13 . 1 1 17 17 GLY CA C 17 45.095 45.095 45.072 0.023 19840 3486 1 13 . 1 1 17 17 GLY H H 17 8.576 8.576 8.292 0.284 19840 3487 1 13 . 1 1 18 18 CYS N N 18 121.493 121.493 120.206 1.287 19840 3488 1 13 . 1 1 18 18 CYS HA H 18 4.930 4.930 4.946 -0.016 19840 3489 1 13 . 1 1 18 18 CYS CA C 18 53.999 53.999 58.249 -4.250 19840 3490 1 13 . 1 1 18 18 CYS CB C 18 39.899 39.899 28.711 11.188 19840 3491 1 13 . 1 1 18 18 CYS H H 18 8.622 8.622 8.509 0.113 19840 3492 1 13 . 1 1 19 19 VAL N N 19 131.185 131.185 126.702 4.483 19840 3493 1 13 . 1 1 19 19 VAL HA H 19 4.019 4.019 4.551 -0.532 19840 3494 1 13 . 1 1 19 19 VAL CA C 19 59.537 59.537 58.784 0.753 19840 3495 1 13 . 1 1 19 19 VAL CB C 19 33.825 33.825 34.018 -0.193 19840 3496 1 13 . 1 1 19 19 VAL H H 19 9.414 9.414 8.961 0.453 19840 3497 1 13 . 1 1 20 20 PRO HA H 20 4.012 4.012 4.527 -0.515 19840 3498 1 13 . 1 1 20 20 PRO CA C 20 62.492 62.492 61.877 0.615 19840 3499 1 13 . 1 1 20 20 PRO CB C 20 31.931 31.931 32.261 -0.330 19840 3500 1 13 . 1 1 21 21 ALA N N 21 127.518 127.518 124.323 3.195 19840 3501 1 13 . 1 1 21 21 ALA HA H 21 3.907 3.907 3.874 0.033 19840 3502 1 13 . 1 1 21 21 ALA CA C 21 53.558 53.558 53.155 0.403 19840 3503 1 13 . 1 1 21 21 ALA CB C 21 17.717 17.717 18.933 -1.216 19840 3504 1 13 . 1 1 21 21 ALA H H 21 8.147 8.147 8.263 -0.116 19840 3505 1 13 . 1 1 22 22 GLY N N 22 114.819 114.819 111.438 3.381 19840 3506 1 13 . 1 1 22 22 GLY CA C 22 46.038 46.038 45.646 0.392 19840 3507 1 13 . 1 1 22 22 GLY H H 22 7.292 7.292 8.391 -1.099 19840 3508 1 13 . 1 1 23 23 GLY N N 23 111.300 111.300 107.579 3.721 19840 3509 1 13 . 1 1 23 23 GLY CA C 23 44.366 44.366 43.858 0.509 19840 3510 1 13 . 1 1 23 23 GLY H H 23 8.204 8.204 8.018 0.186 19840 3511 1 13 . 1 1 24 24 GLU N N 24 116.771 116.771 118.359 -1.588 19840 3512 1 13 . 1 1 24 24 GLU HA H 24 5.594 5.594 5.017 0.577 19840 3513 1 13 . 1 1 24 24 GLU CA C 24 53.749 53.749 55.288 -1.540 19840 3514 1 13 . 1 1 24 24 GLU CB C 24 35.193 35.193 32.915 2.278 19840 3515 1 13 . 1 1 24 24 GLU H H 24 8.131 8.131 8.173 -0.042 19840 3516 1 13 . 1 1 25 25 LEU N N 25 121.029 121.029 122.547 -1.518 19840 3517 1 13 . 1 1 25 25 LEU HA H 25 4.465 4.465 4.716 -0.251 19840 3518 1 13 . 1 1 25 25 LEU CA C 25 54.586 54.586 54.103 0.482 19840 3519 1 13 . 1 1 25 25 LEU CB C 25 49.054 49.054 46.950 2.104 19840 3520 1 13 . 1 1 25 25 LEU H H 25 8.899 8.899 8.961 -0.062 19840 3521 1 13 . 1 1 26 26 ARG N N 26 128.131 128.131 123.501 4.630 19840 3522 1 13 . 1 1 26 26 ARG HA H 26 4.864 4.864 4.730 0.134 19840 3523 1 13 . 1 1 26 26 ARG CA C 26 55.359 55.359 55.690 -0.330 19840 3524 1 13 . 1 1 26 26 ARG CB C 26 29.623 29.623 30.911 -1.288 19840 3525 1 13 . 1 1 26 26 ARG H H 26 8.604 8.604 8.502 0.102 19840 3526 1 13 . 1 1 27 27 ILE N N 27 129.246 129.246 126.575 2.671 19840 3527 1 13 . 1 1 27 27 ILE HA H 27 4.202 4.202 3.909 0.293 19840 3528 1 13 . 1 1 27 27 ILE CA C 27 60.765 60.765 60.027 0.738 19840 3529 1 13 . 1 1 27 27 ILE CB C 27 40.383 40.383 40.528 -0.145 19840 3530 1 13 . 1 1 27 27 ILE H H 27 9.029 9.029 8.628 0.401 19840 3531 1 13 . 1 1 28 28 PHE N N 28 127.383 127.383 125.766 1.617 19840 3532 1 13 . 1 1 28 28 PHE HA H 28 3.968 3.968 4.894 -0.926 19840 3533 1 13 . 1 1 28 28 PHE CA C 28 58.921 58.921 56.088 2.833 19840 3534 1 13 . 1 1 28 28 PHE CB C 28 39.444 39.444 38.592 0.852 19840 3535 1 13 . 1 1 28 28 PHE H H 28 8.885 8.885 8.126 0.759 19840 3536 1 13 . 1 1 29 29 VAL N N 29 124.164 124.164 121.085 3.079 19840 3537 1 13 . 1 1 29 29 VAL HA H 29 3.887 3.887 4.516 -0.629 19840 3538 1 13 . 1 1 29 29 VAL CA C 29 61.099 61.099 61.003 0.096 19840 3539 1 13 . 1 1 29 29 VAL CB C 29 30.194 30.194 33.993 -3.800 19840 3540 1 13 . 1 1 29 29 VAL H H 29 8.396 8.396 8.177 0.219 19840 3541 1 13 . 1 1 30 30 GLY N N 30 113.336 113.336 115.630 -2.294 19840 3542 1 13 . 1 1 30 30 GLY CA C 30 46.252 46.252 45.000 1.252 19840 3543 1 13 . 1 1 30 30 GLY H H 30 8.376 8.376 8.862 -0.486 19840 3544 1 13 . 1 1 31 31 SER H H 31 8.290 8.290 8.596 -0.306 19840 3545 1 13 . 1 1 32 32 SER N N 32 114.602 114.602 111.747 2.855 19840 3546 1 13 . 1 1 32 32 SER HA H 32 4.572 4.572 4.421 0.151 19840 3547 1 13 . 1 1 32 32 SER CA C 32 59.632 59.632 58.597 1.034 19840 3548 1 13 . 1 1 32 32 SER CB C 32 64.882 64.882 64.145 0.737 19840 3549 1 13 . 1 1 32 32 SER H H 32 8.344 8.344 7.964 0.380 19840 3550 1 13 . 1 1 33 33 HIS N N 33 114.790 114.790 121.868 -7.078 19840 3551 1 13 . 1 1 33 33 HIS HA H 33 4.881 4.881 4.833 0.048 19840 3552 1 13 . 1 1 33 33 HIS CA C 33 55.139 55.139 55.242 -0.103 19840 3553 1 13 . 1 1 33 33 HIS CB C 33 29.454 29.454 32.197 -2.743 19840 3554 1 13 . 1 1 33 33 HIS H H 33 7.586 7.586 7.961 -0.375 19840 3555 1 13 . 1 1 34 34 SER N N 34 112.452 112.452 113.002 -0.550 19840 3556 1 13 . 1 1 34 34 SER HA H 34 4.651 4.651 5.237 -0.587 19840 3557 1 13 . 1 1 34 34 SER CA C 34 56.296 56.296 57.764 -1.468 19840 3558 1 13 . 1 1 34 34 SER CB C 34 66.406 66.406 66.202 0.204 19840 3559 1 13 . 1 1 34 34 SER H H 34 8.169 8.169 8.334 -0.165 19840 3560 1 13 . 1 1 35 35 TYR N N 35 116.118 116.118 120.167 -4.049 19840 3561 1 13 . 1 1 35 35 TYR HA H 35 5.047 5.047 4.937 0.110 19840 3562 1 13 . 1 1 35 35 TYR CA C 35 55.601 55.601 57.595 -1.994 19840 3563 1 13 . 1 1 35 35 TYR CB C 35 43.070 43.070 42.790 0.280 19840 3564 1 13 . 1 1 35 35 TYR H H 35 8.493 8.493 8.797 -0.304 19840 3565 1 13 . 1 1 36 36 LEU N N 36 125.430 125.430 125.838 -0.408 19840 3566 1 13 . 1 1 36 36 LEU HA H 36 4.565 4.565 4.703 -0.138 19840 3567 1 13 . 1 1 36 36 LEU CA C 36 53.796 53.796 55.010 -1.214 19840 3568 1 13 . 1 1 36 36 LEU CB C 36 41.810 41.810 43.344 -1.534 19840 3569 1 13 . 1 1 36 36 LEU H H 36 8.476 8.476 8.947 -0.471 19840 3570 1 13 . 1 1 37 37 ILE N N 37 129.763 129.763 126.659 3.104 19840 3571 1 13 . 1 1 37 37 ILE HA H 37 4.607 4.607 4.607 -0.000 19840 3572 1 13 . 1 1 37 37 ILE CA C 37 57.337 57.337 58.838 -1.501 19840 3573 1 13 . 1 1 37 37 ILE CB C 37 37.601 37.601 38.792 -1.191 19840 3574 1 13 . 1 1 37 37 ILE H H 37 8.512 8.512 9.132 -0.620 19840 3575 1 13 . 1 1 38 38 LYS N N 38 125.927 125.927 128.085 -2.158 19840 3576 1 13 . 1 1 38 38 LYS HA H 38 4.958 4.958 4.897 0.061 19840 3577 1 13 . 1 1 38 38 LYS CA C 38 54.054 54.054 54.599 -0.544 19840 3578 1 13 . 1 1 38 38 LYS CB C 38 34.807 34.807 35.253 -0.446 19840 3579 1 13 . 1 1 38 38 LYS H H 38 8.849 8.849 8.935 -0.086 19840 3580 1 13 . 1 1 39 39 ALA N N 39 124.260 124.260 130.994 -6.734 19840 3581 1 13 . 1 1 39 39 ALA HA H 39 5.671 5.671 5.359 0.312 19840 3582 1 13 . 1 1 39 39 ALA CA C 39 49.202 49.202 50.040 -0.838 19840 3583 1 13 . 1 1 39 39 ALA CB C 39 23.170 23.170 20.836 2.334 19840 3584 1 13 . 1 1 39 39 ALA H H 39 8.498 8.498 8.615 -0.117 19840 3585 1 13 . 1 1 40 40 THR N N 40 112.492 112.492 114.973 -2.481 19840 3586 1 13 . 1 1 40 40 THR HA H 40 4.651 4.651 4.516 0.135 19840 3587 1 13 . 1 1 40 40 THR CA C 40 60.482 60.482 60.905 -0.423 19840 3588 1 13 . 1 1 40 40 THR CB C 40 71.335 71.335 70.044 1.290 19840 3589 1 13 . 1 1 40 40 THR H H 40 8.996 8.996 8.283 0.713 19840 3590 1 13 . 1 1 41 41 SER H H 41 8.288 8.288 8.691 -0.403 19840 3591 1 13 . 1 1 42 42 SER N N 42 113.261 113.261 114.724 -1.463 19840 3592 1 13 . 1 1 42 42 SER HA H 42 4.636 4.636 4.610 0.026 19840 3593 1 13 . 1 1 42 42 SER CA C 42 57.101 57.101 57.900 -0.799 19840 3594 1 13 . 1 1 42 42 SER CB C 42 62.842 62.842 63.528 -0.686 19840 3595 1 13 . 1 1 42 42 SER H H 42 7.629 7.629 7.780 -0.151 19840 3596 1 13 . 1 1 43 43 CYS N N 43 111.527 111.527 118.443 -6.916 19840 3597 1 13 . 1 1 43 43 CYS HA H 43 4.311 4.311 4.092 0.219 19840 3598 1 13 . 1 1 43 43 CYS CA C 43 54.093 54.093 59.811 -5.718 19840 3599 1 13 . 1 1 43 43 CYS CB C 43 32.030 32.030 25.428 6.602 19840 3600 1 13 . 1 1 43 43 CYS H H 43 8.008 8.008 7.856 0.152 19840 3601 1 13 . 1 1 44 44 GLY N N 44 107.262 107.262 107.038 0.224 19840 3602 1 13 . 1 1 44 44 GLY CA C 44 45.585 45.585 44.719 0.866 19840 3603 1 13 . 1 1 44 44 GLY H H 44 8.222 8.222 7.678 0.544 19840 3604 1 13 . 1 1 45 45 LEU N N 45 127.185 127.185 125.055 2.130 19840 3605 1 13 . 1 1 45 45 LEU HA H 45 5.586 5.586 5.215 0.371 19840 3606 1 13 . 1 1 45 45 LEU CA C 45 53.741 53.741 54.468 -0.727 19840 3607 1 13 . 1 1 45 45 LEU CB C 45 44.311 44.311 43.197 1.114 19840 3608 1 13 . 1 1 45 45 LEU H H 45 8.684 8.684 8.434 0.250 19840 3609 1 13 . 1 1 46 46 SER N N 46 114.241 114.241 116.066 -1.825 19840 3610 1 13 . 1 1 46 46 SER HA H 46 4.595 4.595 4.499 0.096 19840 3611 1 13 . 1 1 46 46 SER CA C 46 57.466 57.466 57.983 -0.517 19840 3612 1 13 . 1 1 46 46 SER CB C 46 65.844 65.844 65.064 0.780 19840 3613 1 13 . 1 1 46 46 SER H H 46 8.856 8.856 8.158 0.698 19840 3614 1 13 . 1 1 47 47 LEU N N 47 120.302 120.302 123.857 -3.555 19840 3615 1 13 . 1 1 47 47 LEU HA H 47 4.756 4.756 4.874 -0.118 19840 3616 1 13 . 1 1 47 47 LEU CA C 47 53.725 53.725 55.779 -2.054 19840 3617 1 13 . 1 1 47 47 LEU CB C 47 43.078 43.078 42.942 0.136 19840 3618 1 13 . 1 1 47 47 LEU H H 47 8.482 8.482 8.680 -0.198 19840 3619 1 13 . 1 1 48 48 THR N N 48 119.533 119.533 117.905 1.628 19840 3620 1 13 . 1 1 48 48 THR HA H 48 4.211 4.211 4.496 -0.285 19840 3621 1 13 . 1 1 48 48 THR CA C 48 63.095 63.095 61.663 1.432 19840 3622 1 13 . 1 1 48 48 THR CB C 48 69.170 69.170 68.653 0.518 19840 3623 1 13 . 1 1 48 48 THR H H 48 8.472 8.472 8.642 -0.170 19840 3624 1 13 . 1 1 49 49 ASN N N 49 120.348 120.348 120.550 -0.202 19840 3625 1 13 . 1 1 49 49 ASN HA H 49 4.511 4.511 4.298 0.213 19840 3626 1 13 . 1 1 49 49 ASN CA C 49 53.577 53.577 54.741 -1.164 19840 3627 1 13 . 1 1 49 49 ASN CB C 49 37.381 37.381 38.243 -0.862 19840 3628 1 13 . 1 1 49 49 ASN H H 49 8.967 8.967 8.894 0.073 19840 3629 1 13 . 1 1 50 50 GLN N N 50 114.907 114.907 116.604 -1.697 19840 3630 1 13 . 1 1 50 50 GLN HA H 50 4.672 4.672 4.487 0.185 19840 3631 1 13 . 1 1 50 50 GLN CA C 50 54.515 54.515 54.830 -0.315 19840 3632 1 13 . 1 1 50 50 GLN CB C 50 34.947 34.947 32.715 2.232 19840 3633 1 13 . 1 1 50 50 GLN H H 50 7.207 7.207 8.055 -0.848 19840 3634 1 13 . 1 1 51 51 VAL N N 51 112.350 112.350 118.075 -5.725 19840 3635 1 13 . 1 1 51 51 VAL HA H 51 4.430 4.430 4.590 -0.160 19840 3636 1 13 . 1 1 51 51 VAL CA C 51 59.441 59.441 59.542 -0.101 19840 3637 1 13 . 1 1 51 51 VAL CB C 51 34.108 34.108 33.538 0.570 19840 3638 1 13 . 1 1 51 51 VAL H H 51 7.575 7.575 8.352 -0.777 19840 3639 1 13 . 1 1 52 52 PHE N N 52 119.853 119.853 121.415 -1.562 19840 3640 1 13 . 1 1 52 52 PHE HA H 52 4.422 4.422 4.449 -0.027 19840 3641 1 13 . 1 1 52 52 PHE CA C 52 60.310 60.310 57.113 3.197 19840 3642 1 13 . 1 1 52 52 PHE CB C 52 40.650 40.650 39.877 0.773 19840 3643 1 13 . 1 1 52 52 PHE H H 52 8.221 8.221 8.035 0.186 19840 3644 1 13 . 1 1 53 53 ILE N N 53 116.505 116.505 114.053 2.452 19840 3645 1 13 . 1 1 53 53 ILE HA H 53 4.688 4.688 4.357 0.331 19840 3646 1 13 . 1 1 53 53 ILE CA C 53 59.582 59.582 60.275 -0.693 19840 3647 1 13 . 1 1 53 53 ILE CB C 53 41.131 41.131 41.505 -0.374 19840 3648 1 13 . 1 1 53 53 ILE H H 53 8.436 8.436 8.341 0.095 19840 3649 1 13 . 1 1 54 54 ASN N N 54 113.329 113.329 118.215 -4.886 19840 3650 1 13 . 1 1 54 54 ASN HA H 54 4.351 4.351 4.476 -0.125 19840 3651 1 13 . 1 1 54 54 ASN CA C 54 54.129 54.129 54.303 -0.174 19840 3652 1 13 . 1 1 54 54 ASN CB C 54 37.453 37.453 37.006 0.447 19840 3653 1 13 . 1 1 54 54 ASN H H 54 8.889 8.889 9.110 -0.221 19840 3654 1 13 . 1 1 55 55 GLY N N 55 107.928 107.928 100.129 7.799 19840 3655 1 13 . 1 1 55 55 GLY CA C 55 46.132 46.132 45.611 0.521 19840 3656 1 13 . 1 1 55 55 GLY H H 55 8.911 8.911 8.529 0.382 19840 3657 1 13 . 1 1 56 56 GLU N N 56 119.227 119.227 120.739 -1.512 19840 3658 1 13 . 1 1 56 56 GLU HA H 56 4.590 4.590 4.787 -0.197 19840 3659 1 13 . 1 1 56 56 GLU CA C 56 55.616 55.616 56.683 -1.067 19840 3660 1 13 . 1 1 56 56 GLU CB C 56 30.193 30.193 31.253 -1.060 19840 3661 1 13 . 1 1 56 56 GLU H H 56 7.646 7.646 8.289 -0.643 19840 3662 1 13 . 1 1 57 57 SER N N 57 109.621 109.621 118.555 -8.934 19840 3663 1 13 . 1 1 57 57 SER HA H 57 2.577 2.577 4.481 -1.904 19840 3664 1 13 . 1 1 57 57 SER CA C 57 57.073 57.073 56.726 0.347 19840 3665 1 13 . 1 1 57 57 SER CB C 57 64.367 64.367 65.862 -1.496 19840 3666 1 13 . 1 1 57 57 SER H H 57 7.939 7.939 8.735 -0.796 19840 3667 1 13 . 1 1 58 58 VAL N N 58 115.887 115.887 119.515 -3.628 19840 3668 1 13 . 1 1 58 58 VAL HA H 58 5.488 5.488 5.078 0.410 19840 3669 1 13 . 1 1 58 58 VAL CA C 58 57.914 57.914 60.026 -2.112 19840 3670 1 13 . 1 1 58 58 VAL CB C 58 34.794 34.794 32.729 2.065 19840 3671 1 13 . 1 1 58 58 VAL H H 58 7.721 7.721 8.262 -0.541 19840 3672 1 13 . 1 1 59 59 GLN N N 59 126.845 126.845 125.489 1.356 19840 3673 1 13 . 1 1 59 59 GLN HA H 59 4.669 4.669 4.687 -0.018 19840 3674 1 13 . 1 1 59 59 GLN CA C 59 53.560 53.560 53.472 0.088 19840 3675 1 13 . 1 1 59 59 GLN CB C 59 33.889 33.889 32.674 1.215 19840 3676 1 13 . 1 1 59 59 GLN H H 59 9.107 9.107 8.871 0.236 19840 3677 1 13 . 1 1 60 60 SER N N 60 119.479 119.479 119.969 -0.490 19840 3678 1 13 . 1 1 60 60 SER HA H 60 4.768 4.768 4.858 -0.090 19840 3679 1 13 . 1 1 60 60 SER CA C 60 58.438 58.438 57.191 1.247 19840 3680 1 13 . 1 1 60 60 SER CB C 60 63.484 63.484 63.299 0.185 19840 3681 1 13 . 1 1 60 60 SER H H 60 8.959 8.959 8.771 0.188 19840 3682 1 13 . 1 1 61 61 GLY N N 61 113.757 113.757 112.873 0.884 19840 3683 1 13 . 1 1 61 61 GLY CA C 61 44.893 44.893 45.931 -1.038 19840 3684 1 13 . 1 1 61 61 GLY H H 61 8.287 8.287 8.466 -0.179 19840 3685 1 13 . 1 1 62 62 GLY N N 62 108.329 108.329 107.697 0.632 19840 3686 1 13 . 1 1 62 62 GLY CA C 62 43.932 43.932 44.456 -0.524 19840 3687 1 13 . 1 1 62 62 GLY H H 62 7.868 7.868 7.476 0.392 19840 3688 1 13 . 1 1 63 63 ARG N N 63 122.424 122.424 121.379 1.045 19840 3689 1 13 . 1 1 63 63 ARG HA H 63 5.229 5.229 4.889 0.340 19840 3690 1 13 . 1 1 63 63 ARG CA C 63 54.037 54.037 54.791 -0.754 19840 3691 1 13 . 1 1 63 63 ARG CB C 63 31.849 31.849 31.328 0.521 19840 3692 1 13 . 1 1 63 63 ARG H H 63 8.730 8.730 8.090 0.640 19840 3693 1 14 . 1 1 2 2 CYS N N 2 119.737 119.737 117.637 2.100 19840 3694 1 14 . 1 1 2 2 CYS HA H 2 5.082 5.082 4.969 0.113 19840 3695 1 14 . 1 1 2 2 CYS CA C 2 53.264 53.264 58.430 -5.166 19840 3696 1 14 . 1 1 2 2 CYS CB C 2 39.218 39.218 30.978 8.240 19840 3697 1 14 . 1 1 2 2 CYS H H 2 9.003 9.003 8.987 0.016 19840 3698 1 14 . 1 1 3 3 VAL N N 3 126.716 126.716 120.273 6.443 19840 3699 1 14 . 1 1 3 3 VAL HA H 3 4.177 4.177 4.212 -0.035 19840 3700 1 14 . 1 1 3 3 VAL CA C 3 64.132 64.132 61.593 2.539 19840 3701 1 14 . 1 1 3 3 VAL CB C 3 31.608 31.608 33.906 -2.298 19840 3702 1 14 . 1 1 3 3 VAL H H 3 8.647 8.647 8.521 0.126 19840 3703 1 14 . 1 1 4 4 ALA N N 4 134.327 134.327 128.073 6.254 19840 3704 1 14 . 1 1 4 4 ALA HA H 4 4.773 4.773 4.802 -0.029 19840 3705 1 14 . 1 1 4 4 ALA CA C 4 49.964 49.964 50.349 -0.385 19840 3706 1 14 . 1 1 4 4 ALA CB C 4 22.047 22.047 22.017 0.030 19840 3707 1 14 . 1 1 4 4 ALA H H 4 9.282 9.282 8.639 0.643 19840 3708 1 14 . 1 1 5 5 ASN N N 5 119.560 119.560 119.858 -0.298 19840 3709 1 14 . 1 1 5 5 ASN HA H 5 5.516 5.516 5.271 0.245 19840 3710 1 14 . 1 1 5 5 ASN CA C 5 50.853 50.853 51.785 -0.931 19840 3711 1 14 . 1 1 5 5 ASN CB C 5 40.194 40.194 43.186 -2.992 19840 3712 1 14 . 1 1 5 5 ASN H H 5 8.760 8.760 8.519 0.241 19840 3713 1 14 . 1 1 6 6 ILE N N 6 123.118 123.118 121.758 1.360 19840 3714 1 14 . 1 1 6 6 ILE HA H 6 4.961 4.961 4.879 0.082 19840 3715 1 14 . 1 1 6 6 ILE CA C 6 57.398 57.398 59.450 -2.052 19840 3716 1 14 . 1 1 6 6 ILE CB C 6 35.561 35.561 39.286 -3.725 19840 3717 1 14 . 1 1 6 6 ILE H H 6 9.093 9.093 8.554 0.539 19840 3718 1 14 . 1 1 7 7 LEU N N 7 128.607 128.607 125.563 3.044 19840 3719 1 14 . 1 1 7 7 LEU HA H 7 5.399 5.399 5.040 0.359 19840 3720 1 14 . 1 1 7 7 LEU CA C 7 52.382 52.382 53.433 -1.051 19840 3721 1 14 . 1 1 7 7 LEU CB C 7 44.218 44.218 44.661 -0.444 19840 3722 1 14 . 1 1 7 7 LEU H H 7 8.896 8.896 9.008 -0.112 19840 3723 1 14 . 1 1 8 8 ASN N N 8 114.552 114.552 119.318 -4.766 19840 3724 1 14 . 1 1 8 8 ASN HA H 8 4.847 4.847 4.853 -0.006 19840 3725 1 14 . 1 1 8 8 ASN CA C 8 50.359 50.359 51.737 -1.379 19840 3726 1 14 . 1 1 8 8 ASN CB C 8 39.476 39.476 39.152 0.324 19840 3727 1 14 . 1 1 8 8 ASN H H 8 8.341 8.341 8.486 -0.145 19840 3728 1 14 . 1 1 9 9 ILE N N 9 120.261 120.261 119.436 0.825 19840 3729 1 14 . 1 1 9 9 ILE HA H 9 4.013 4.013 4.003 0.010 19840 3730 1 14 . 1 1 9 9 ILE CA C 9 63.509 63.509 63.356 0.152 19840 3731 1 14 . 1 1 9 9 ILE CB C 9 38.538 38.538 38.286 0.252 19840 3732 1 14 . 1 1 9 9 ILE H H 9 8.713 8.713 8.468 0.245 19840 3733 1 14 . 1 1 10 10 ASN N N 10 117.798 117.798 116.644 1.154 19840 3734 1 14 . 1 1 10 10 ASN HA H 10 4.897 4.897 4.763 0.134 19840 3735 1 14 . 1 1 10 10 ASN CA C 10 52.939 52.939 52.576 0.363 19840 3736 1 14 . 1 1 10 10 ASN CB C 10 38.741 38.741 38.654 0.087 19840 3737 1 14 . 1 1 10 10 ASN H H 10 7.242 7.242 8.038 -0.796 19840 3738 1 14 . 1 1 11 11 GLU N N 11 112.166 112.166 114.951 -2.785 19840 3739 1 14 . 1 1 11 11 GLU HA H 11 3.548 3.548 3.866 -0.318 19840 3740 1 14 . 1 1 11 11 GLU CA C 11 58.111 58.111 57.604 0.507 19840 3741 1 14 . 1 1 11 11 GLU CB C 11 25.932 25.932 26.868 -0.936 19840 3742 1 14 . 1 1 11 11 GLU H H 11 8.242 8.242 8.214 0.028 19840 3743 1 14 . 1 1 12 12 ALA N N 12 121.641 121.641 121.244 0.397 19840 3744 1 14 . 1 1 12 12 ALA HA H 12 4.502 4.502 4.581 -0.079 19840 3745 1 14 . 1 1 12 12 ALA CA C 12 50.413 50.413 50.729 -0.316 19840 3746 1 14 . 1 1 12 12 ALA CB C 12 19.623 19.623 20.414 -0.791 19840 3747 1 14 . 1 1 12 12 ALA H H 12 7.798 7.798 8.767 -0.969 19840 3748 1 14 . 1 1 13 13 VAL N N 13 121.315 121.315 126.551 -5.236 19840 3749 1 14 . 1 1 13 13 VAL HA H 13 4.076 4.076 3.998 0.078 19840 3750 1 14 . 1 1 13 13 VAL CA C 13 63.484 63.484 64.707 -1.223 19840 3751 1 14 . 1 1 13 13 VAL CB C 13 31.277 31.277 30.578 0.699 19840 3752 1 14 . 1 1 13 13 VAL H H 13 8.512 8.512 8.808 -0.296 19840 3753 1 14 . 1 1 14 14 ILE N N 14 121.921 121.921 123.004 -1.083 19840 3754 1 14 . 1 1 14 14 ILE HA H 14 4.635 4.635 4.525 0.110 19840 3755 1 14 . 1 1 14 14 ILE CA C 14 61.188 61.188 60.794 0.394 19840 3756 1 14 . 1 1 14 14 ILE CB C 14 39.644 39.644 38.756 0.888 19840 3757 1 14 . 1 1 14 14 ILE H H 14 9.293 9.293 9.042 0.251 19840 3758 1 14 . 1 1 15 15 ALA N N 15 123.193 123.193 122.559 0.634 19840 3759 1 14 . 1 1 15 15 ALA HA H 15 4.624 4.624 4.904 -0.280 19840 3760 1 14 . 1 1 15 15 ALA CA C 15 52.546 52.546 51.241 1.305 19840 3761 1 14 . 1 1 15 15 ALA CB C 15 22.693 22.693 22.118 0.575 19840 3762 1 14 . 1 1 15 15 ALA H H 15 7.941 7.941 7.817 0.124 19840 3763 1 14 . 1 1 16 16 THR N N 16 114.723 114.723 111.522 3.201 19840 3764 1 14 . 1 1 16 16 THR HA H 16 5.738 5.738 5.401 0.337 19840 3765 1 14 . 1 1 16 16 THR CA C 16 60.046 60.046 60.034 0.012 19840 3766 1 14 . 1 1 16 16 THR CB C 16 70.929 70.929 71.960 -1.032 19840 3767 1 14 . 1 1 16 16 THR H H 16 8.582 8.582 8.592 -0.010 19840 3768 1 14 . 1 1 17 17 GLY N N 17 111.166 111.166 109.026 2.140 19840 3769 1 14 . 1 1 17 17 GLY CA C 17 45.095 45.095 44.962 0.133 19840 3770 1 14 . 1 1 17 17 GLY H H 17 8.576 8.576 8.410 0.166 19840 3771 1 14 . 1 1 18 18 CYS N N 18 121.493 121.493 119.678 1.815 19840 3772 1 14 . 1 1 18 18 CYS HA H 18 4.930 4.930 4.860 0.070 19840 3773 1 14 . 1 1 18 18 CYS CA C 18 53.999 53.999 57.554 -3.555 19840 3774 1 14 . 1 1 18 18 CYS CB C 18 39.899 39.899 28.825 11.074 19840 3775 1 14 . 1 1 18 18 CYS H H 18 8.622 8.622 8.480 0.142 19840 3776 1 14 . 1 1 19 19 VAL N N 19 131.185 131.185 126.278 4.907 19840 3777 1 14 . 1 1 19 19 VAL HA H 19 4.019 4.019 4.616 -0.597 19840 3778 1 14 . 1 1 19 19 VAL CA C 19 59.537 59.537 59.002 0.535 19840 3779 1 14 . 1 1 19 19 VAL CB C 19 33.825 33.825 35.333 -1.508 19840 3780 1 14 . 1 1 19 19 VAL H H 19 9.414 9.414 9.178 0.236 19840 3781 1 14 . 1 1 20 20 PRO HA H 20 4.012 4.012 4.587 -0.575 19840 3782 1 14 . 1 1 20 20 PRO CA C 20 62.492 62.492 62.473 0.019 19840 3783 1 14 . 1 1 20 20 PRO CB C 20 31.931 31.931 32.202 -0.271 19840 3784 1 14 . 1 1 21 21 ALA N N 21 127.518 127.518 121.285 6.233 19840 3785 1 14 . 1 1 21 21 ALA HA H 21 3.907 3.907 4.181 -0.274 19840 3786 1 14 . 1 1 21 21 ALA CA C 21 53.558 53.558 51.756 1.802 19840 3787 1 14 . 1 1 21 21 ALA CB C 21 17.717 17.717 18.732 -1.015 19840 3788 1 14 . 1 1 21 21 ALA H H 21 8.147 8.147 8.170 -0.023 19840 3789 1 14 . 1 1 22 22 GLY N N 22 114.819 114.819 112.927 1.892 19840 3790 1 14 . 1 1 22 22 GLY CA C 22 46.038 46.038 45.281 0.757 19840 3791 1 14 . 1 1 22 22 GLY H H 22 7.292 7.292 8.216 -0.924 19840 3792 1 14 . 1 1 23 23 GLY N N 23 111.300 111.300 108.329 2.971 19840 3793 1 14 . 1 1 23 23 GLY CA C 23 44.366 44.366 44.509 -0.143 19840 3794 1 14 . 1 1 23 23 GLY H H 23 8.204 8.204 7.669 0.535 19840 3795 1 14 . 1 1 24 24 GLU N N 24 116.771 116.771 118.408 -1.637 19840 3796 1 14 . 1 1 24 24 GLU HA H 24 5.594 5.594 4.961 0.633 19840 3797 1 14 . 1 1 24 24 GLU CA C 24 53.749 53.749 55.911 -2.162 19840 3798 1 14 . 1 1 24 24 GLU CB C 24 35.193 35.193 32.862 2.331 19840 3799 1 14 . 1 1 24 24 GLU H H 24 8.131 8.131 8.313 -0.182 19840 3800 1 14 . 1 1 25 25 LEU N N 25 121.029 121.029 122.445 -1.416 19840 3801 1 14 . 1 1 25 25 LEU HA H 25 4.465 4.465 4.701 -0.236 19840 3802 1 14 . 1 1 25 25 LEU CA C 25 54.586 54.586 54.092 0.494 19840 3803 1 14 . 1 1 25 25 LEU CB C 25 49.054 49.054 46.942 2.112 19840 3804 1 14 . 1 1 25 25 LEU H H 25 8.899 8.899 8.878 0.021 19840 3805 1 14 . 1 1 26 26 ARG N N 26 128.131 128.131 123.381 4.750 19840 3806 1 14 . 1 1 26 26 ARG HA H 26 4.864 4.864 4.583 0.281 19840 3807 1 14 . 1 1 26 26 ARG CA C 26 55.359 55.359 55.791 -0.432 19840 3808 1 14 . 1 1 26 26 ARG CB C 26 29.623 29.623 30.698 -1.075 19840 3809 1 14 . 1 1 26 26 ARG H H 26 8.604 8.604 8.495 0.109 19840 3810 1 14 . 1 1 27 27 ILE N N 27 129.246 129.246 126.380 2.866 19840 3811 1 14 . 1 1 27 27 ILE HA H 27 4.202 4.202 3.869 0.333 19840 3812 1 14 . 1 1 27 27 ILE CA C 27 60.765 60.765 60.032 0.733 19840 3813 1 14 . 1 1 27 27 ILE CB C 27 40.383 40.383 40.490 -0.107 19840 3814 1 14 . 1 1 27 27 ILE H H 27 9.029 9.029 8.404 0.625 19840 3815 1 14 . 1 1 28 28 PHE N N 28 127.383 127.383 125.836 1.547 19840 3816 1 14 . 1 1 28 28 PHE HA H 28 3.968 3.968 4.858 -0.890 19840 3817 1 14 . 1 1 28 28 PHE CA C 28 58.921 58.921 56.153 2.768 19840 3818 1 14 . 1 1 28 28 PHE CB C 28 39.444 39.444 38.599 0.845 19840 3819 1 14 . 1 1 28 28 PHE H H 28 8.885 8.885 8.124 0.761 19840 3820 1 14 . 1 1 29 29 VAL N N 29 124.164 124.164 121.917 2.247 19840 3821 1 14 . 1 1 29 29 VAL HA H 29 3.887 3.887 4.528 -0.641 19840 3822 1 14 . 1 1 29 29 VAL CA C 29 61.099 61.099 60.961 0.138 19840 3823 1 14 . 1 1 29 29 VAL CB C 29 30.194 30.194 33.771 -3.577 19840 3824 1 14 . 1 1 29 29 VAL H H 29 8.396 8.396 8.403 -0.007 19840 3825 1 14 . 1 1 30 30 GLY N N 30 113.336 113.336 115.833 -2.497 19840 3826 1 14 . 1 1 30 30 GLY CA C 30 46.252 46.252 45.133 1.119 19840 3827 1 14 . 1 1 30 30 GLY H H 30 8.376 8.376 8.824 -0.448 19840 3828 1 14 . 1 1 31 31 SER H H 31 8.290 8.290 8.560 -0.270 19840 3829 1 14 . 1 1 32 32 SER N N 32 114.602 114.602 113.197 1.405 19840 3830 1 14 . 1 1 32 32 SER HA H 32 4.572 4.572 4.444 0.128 19840 3831 1 14 . 1 1 32 32 SER CA C 32 59.632 59.632 58.524 1.108 19840 3832 1 14 . 1 1 32 32 SER CB C 32 64.882 64.882 64.216 0.666 19840 3833 1 14 . 1 1 32 32 SER H H 32 8.344 8.344 8.376 -0.032 19840 3834 1 14 . 1 1 33 33 HIS N N 33 114.790 114.790 119.130 -4.340 19840 3835 1 14 . 1 1 33 33 HIS HA H 33 4.881 4.881 4.902 -0.021 19840 3836 1 14 . 1 1 33 33 HIS CA C 33 55.139 55.139 54.744 0.395 19840 3837 1 14 . 1 1 33 33 HIS CB C 33 29.454 29.454 32.377 -2.923 19840 3838 1 14 . 1 1 33 33 HIS H H 33 7.586 7.586 7.753 -0.167 19840 3839 1 14 . 1 1 34 34 SER N N 34 112.452 112.452 114.180 -1.728 19840 3840 1 14 . 1 1 34 34 SER HA H 34 4.651 4.651 5.285 -0.634 19840 3841 1 14 . 1 1 34 34 SER CA C 34 56.296 56.296 57.498 -1.202 19840 3842 1 14 . 1 1 34 34 SER CB C 34 66.406 66.406 66.692 -0.286 19840 3843 1 14 . 1 1 34 34 SER H H 34 8.169 8.169 8.248 -0.079 19840 3844 1 14 . 1 1 35 35 TYR N N 35 116.118 116.118 119.530 -3.412 19840 3845 1 14 . 1 1 35 35 TYR HA H 35 5.047 5.047 4.846 0.201 19840 3846 1 14 . 1 1 35 35 TYR CA C 35 55.601 55.601 57.623 -2.022 19840 3847 1 14 . 1 1 35 35 TYR CB C 35 43.070 43.070 42.480 0.590 19840 3848 1 14 . 1 1 35 35 TYR H H 35 8.493 8.493 8.782 -0.289 19840 3849 1 14 . 1 1 36 36 LEU N N 36 125.430 125.430 126.646 -1.216 19840 3850 1 14 . 1 1 36 36 LEU HA H 36 4.565 4.565 4.785 -0.220 19840 3851 1 14 . 1 1 36 36 LEU CA C 36 53.796 53.796 54.950 -1.154 19840 3852 1 14 . 1 1 36 36 LEU CB C 36 41.810 41.810 43.200 -1.390 19840 3853 1 14 . 1 1 36 36 LEU H H 36 8.476 8.476 8.926 -0.450 19840 3854 1 14 . 1 1 37 37 ILE N N 37 129.763 129.763 126.813 2.950 19840 3855 1 14 . 1 1 37 37 ILE HA H 37 4.607 4.607 4.569 0.037 19840 3856 1 14 . 1 1 37 37 ILE CA C 37 57.337 57.337 58.877 -1.540 19840 3857 1 14 . 1 1 37 37 ILE CB C 37 37.601 37.601 39.322 -1.722 19840 3858 1 14 . 1 1 37 37 ILE H H 37 8.512 8.512 9.108 -0.596 19840 3859 1 14 . 1 1 38 38 LYS N N 38 125.927 125.927 126.805 -0.878 19840 3860 1 14 . 1 1 38 38 LYS HA H 38 4.958 4.958 5.019 -0.061 19840 3861 1 14 . 1 1 38 38 LYS CA C 38 54.054 54.054 54.509 -0.455 19840 3862 1 14 . 1 1 38 38 LYS CB C 38 34.807 34.807 34.998 -0.191 19840 3863 1 14 . 1 1 38 38 LYS H H 38 8.849 8.849 9.142 -0.293 19840 3864 1 14 . 1 1 39 39 ALA N N 39 124.260 124.260 126.444 -2.184 19840 3865 1 14 . 1 1 39 39 ALA HA H 39 5.671 5.671 5.111 0.560 19840 3866 1 14 . 1 1 39 39 ALA CA C 39 49.202 49.202 50.148 -0.946 19840 3867 1 14 . 1 1 39 39 ALA CB C 39 23.170 23.170 21.180 1.990 19840 3868 1 14 . 1 1 39 39 ALA H H 39 8.498 8.498 8.630 -0.132 19840 3869 1 14 . 1 1 40 40 THR N N 40 112.492 112.492 119.042 -6.550 19840 3870 1 14 . 1 1 40 40 THR HA H 40 4.651 4.651 4.461 0.190 19840 3871 1 14 . 1 1 40 40 THR CA C 40 60.482 60.482 60.638 -0.156 19840 3872 1 14 . 1 1 40 40 THR CB C 40 71.335 71.335 69.286 2.049 19840 3873 1 14 . 1 1 40 40 THR H H 40 8.996 8.996 8.224 0.772 19840 3874 1 14 . 1 1 41 41 SER H H 41 8.288 8.288 8.589 -0.301 19840 3875 1 14 . 1 1 42 42 SER N N 42 113.261 113.261 115.348 -2.087 19840 3876 1 14 . 1 1 42 42 SER HA H 42 4.636 4.636 4.550 0.086 19840 3877 1 14 . 1 1 42 42 SER CA C 42 57.101 57.101 57.849 -0.748 19840 3878 1 14 . 1 1 42 42 SER CB C 42 62.842 62.842 63.516 -0.674 19840 3879 1 14 . 1 1 42 42 SER H H 42 7.629 7.629 7.916 -0.287 19840 3880 1 14 . 1 1 43 43 CYS N N 43 111.527 111.527 117.572 -6.045 19840 3881 1 14 . 1 1 43 43 CYS HA H 43 4.311 4.311 4.134 0.177 19840 3882 1 14 . 1 1 43 43 CYS CA C 43 54.093 54.093 59.638 -5.545 19840 3883 1 14 . 1 1 43 43 CYS CB C 43 32.030 32.030 25.493 6.537 19840 3884 1 14 . 1 1 43 43 CYS H H 43 8.008 8.008 8.289 -0.281 19840 3885 1 14 . 1 1 44 44 GLY N N 44 107.262 107.262 107.303 -0.041 19840 3886 1 14 . 1 1 44 44 GLY CA C 44 45.585 45.585 44.699 0.886 19840 3887 1 14 . 1 1 44 44 GLY H H 44 8.222 8.222 8.121 0.101 19840 3888 1 14 . 1 1 45 45 LEU N N 45 127.185 127.185 127.011 0.174 19840 3889 1 14 . 1 1 45 45 LEU HA H 45 5.586 5.586 5.397 0.189 19840 3890 1 14 . 1 1 45 45 LEU CA C 45 53.741 53.741 54.697 -0.956 19840 3891 1 14 . 1 1 45 45 LEU CB C 45 44.311 44.311 43.136 1.175 19840 3892 1 14 . 1 1 45 45 LEU H H 45 8.684 8.684 8.395 0.289 19840 3893 1 14 . 1 1 46 46 SER N N 46 114.241 114.241 116.568 -2.327 19840 3894 1 14 . 1 1 46 46 SER HA H 46 4.595 4.595 4.563 0.032 19840 3895 1 14 . 1 1 46 46 SER CA C 46 57.466 57.466 57.904 -0.438 19840 3896 1 14 . 1 1 46 46 SER CB C 46 65.844 65.844 65.486 0.358 19840 3897 1 14 . 1 1 46 46 SER H H 46 8.856 8.856 8.086 0.770 19840 3898 1 14 . 1 1 47 47 LEU N N 47 120.302 120.302 123.490 -3.188 19840 3899 1 14 . 1 1 47 47 LEU HA H 47 4.756 4.756 4.755 0.001 19840 3900 1 14 . 1 1 47 47 LEU CA C 47 53.725 53.725 54.910 -1.185 19840 3901 1 14 . 1 1 47 47 LEU CB C 47 43.078 43.078 43.475 -0.397 19840 3902 1 14 . 1 1 47 47 LEU H H 47 8.482 8.482 8.602 -0.120 19840 3903 1 14 . 1 1 48 48 THR N N 48 119.533 119.533 114.900 4.633 19840 3904 1 14 . 1 1 48 48 THR HA H 48 4.211 4.211 4.375 -0.164 19840 3905 1 14 . 1 1 48 48 THR CA C 48 63.095 63.095 61.813 1.282 19840 3906 1 14 . 1 1 48 48 THR CB C 48 69.170 69.170 68.283 0.887 19840 3907 1 14 . 1 1 48 48 THR H H 48 8.472 8.472 8.621 -0.149 19840 3908 1 14 . 1 1 49 49 ASN N N 49 120.348 120.348 122.671 -2.323 19840 3909 1 14 . 1 1 49 49 ASN HA H 49 4.511 4.511 4.457 0.054 19840 3910 1 14 . 1 1 49 49 ASN CA C 49 53.577 53.577 54.600 -1.023 19840 3911 1 14 . 1 1 49 49 ASN CB C 49 37.381 37.381 38.269 -0.888 19840 3912 1 14 . 1 1 49 49 ASN H H 49 8.967 8.967 8.682 0.285 19840 3913 1 14 . 1 1 50 50 GLN N N 50 114.907 114.907 116.470 -1.563 19840 3914 1 14 . 1 1 50 50 GLN HA H 50 4.672 4.672 4.489 0.183 19840 3915 1 14 . 1 1 50 50 GLN CA C 50 54.515 54.515 55.027 -0.512 19840 3916 1 14 . 1 1 50 50 GLN CB C 50 34.947 34.947 32.364 2.583 19840 3917 1 14 . 1 1 50 50 GLN H H 50 7.207 7.207 8.116 -0.909 19840 3918 1 14 . 1 1 51 51 VAL N N 51 112.350 112.350 115.290 -2.940 19840 3919 1 14 . 1 1 51 51 VAL HA H 51 4.430 4.430 4.542 -0.112 19840 3920 1 14 . 1 1 51 51 VAL CA C 51 59.441 59.441 59.931 -0.490 19840 3921 1 14 . 1 1 51 51 VAL CB C 51 34.108 34.108 34.244 -0.136 19840 3922 1 14 . 1 1 51 51 VAL H H 51 7.575 7.575 8.187 -0.612 19840 3923 1 14 . 1 1 52 52 PHE N N 52 119.853 119.853 115.710 4.143 19840 3924 1 14 . 1 1 52 52 PHE HA H 52 4.422 4.422 4.993 -0.571 19840 3925 1 14 . 1 1 52 52 PHE CA C 52 60.310 60.310 56.306 4.004 19840 3926 1 14 . 1 1 52 52 PHE CB C 52 40.650 40.650 41.357 -0.707 19840 3927 1 14 . 1 1 52 52 PHE H H 52 8.221 8.221 7.664 0.557 19840 3928 1 14 . 1 1 53 53 ILE N N 53 116.505 116.505 116.434 0.071 19840 3929 1 14 . 1 1 53 53 ILE HA H 53 4.688 4.688 4.292 0.396 19840 3930 1 14 . 1 1 53 53 ILE CA C 53 59.582 59.582 59.369 0.213 19840 3931 1 14 . 1 1 53 53 ILE CB C 53 41.131 41.131 40.902 0.229 19840 3932 1 14 . 1 1 53 53 ILE H H 53 8.436 8.436 8.228 0.208 19840 3933 1 14 . 1 1 54 54 ASN N N 54 113.329 113.329 118.772 -5.443 19840 3934 1 14 . 1 1 54 54 ASN HA H 54 4.351 4.351 4.453 -0.102 19840 3935 1 14 . 1 1 54 54 ASN CA C 54 54.129 54.129 54.107 0.022 19840 3936 1 14 . 1 1 54 54 ASN CB C 54 37.453 37.453 37.792 -0.339 19840 3937 1 14 . 1 1 54 54 ASN H H 54 8.889 8.889 9.108 -0.219 19840 3938 1 14 . 1 1 55 55 GLY N N 55 107.928 107.928 100.651 7.277 19840 3939 1 14 . 1 1 55 55 GLY CA C 55 46.132 46.132 45.537 0.595 19840 3940 1 14 . 1 1 55 55 GLY H H 55 8.911 8.911 8.431 0.480 19840 3941 1 14 . 1 1 56 56 GLU N N 56 119.227 119.227 121.384 -2.157 19840 3942 1 14 . 1 1 56 56 GLU HA H 56 4.590 4.590 4.861 -0.271 19840 3943 1 14 . 1 1 56 56 GLU CA C 56 55.616 55.616 56.265 -0.649 19840 3944 1 14 . 1 1 56 56 GLU CB C 56 30.193 30.193 30.583 -0.390 19840 3945 1 14 . 1 1 56 56 GLU H H 56 7.646 7.646 8.274 -0.628 19840 3946 1 14 . 1 1 57 57 SER N N 57 109.621 109.621 120.422 -10.801 19840 3947 1 14 . 1 1 57 57 SER HA H 57 2.577 2.577 4.373 -1.796 19840 3948 1 14 . 1 1 57 57 SER CA C 57 57.073 57.073 56.389 0.684 19840 3949 1 14 . 1 1 57 57 SER CB C 57 64.367 64.367 65.147 -0.780 19840 3950 1 14 . 1 1 57 57 SER H H 57 7.939 7.939 8.615 -0.676 19840 3951 1 14 . 1 1 58 58 VAL N N 58 115.887 115.887 119.763 -3.876 19840 3952 1 14 . 1 1 58 58 VAL HA H 58 5.488 5.488 5.135 0.353 19840 3953 1 14 . 1 1 58 58 VAL CA C 58 57.914 57.914 59.289 -1.375 19840 3954 1 14 . 1 1 58 58 VAL CB C 58 34.794 34.794 34.976 -0.182 19840 3955 1 14 . 1 1 58 58 VAL H H 58 7.721 7.721 8.121 -0.400 19840 3956 1 14 . 1 1 59 59 GLN N N 59 126.845 126.845 123.229 3.616 19840 3957 1 14 . 1 1 59 59 GLN HA H 59 4.669 4.669 4.637 0.032 19840 3958 1 14 . 1 1 59 59 GLN CA C 59 53.560 53.560 53.687 -0.127 19840 3959 1 14 . 1 1 59 59 GLN CB C 59 33.889 33.889 33.824 0.065 19840 3960 1 14 . 1 1 59 59 GLN H H 59 9.107 9.107 8.845 0.262 19840 3961 1 14 . 1 1 60 60 SER N N 60 119.479 119.479 120.294 -0.815 19840 3962 1 14 . 1 1 60 60 SER HA H 60 4.768 4.768 4.804 -0.036 19840 3963 1 14 . 1 1 60 60 SER CA C 60 58.438 58.438 58.286 0.152 19840 3964 1 14 . 1 1 60 60 SER CB C 60 63.484 63.484 62.954 0.530 19840 3965 1 14 . 1 1 60 60 SER H H 60 8.959 8.959 8.723 0.236 19840 3966 1 14 . 1 1 61 61 GLY N N 61 113.757 113.757 110.955 2.802 19840 3967 1 14 . 1 1 61 61 GLY CA C 61 44.893 44.893 45.587 -0.695 19840 3968 1 14 . 1 1 61 61 GLY H H 61 8.287 8.287 8.325 -0.038 19840 3969 1 14 . 1 1 62 62 GLY N N 62 108.329 108.329 106.980 1.349 19840 3970 1 14 . 1 1 62 62 GLY CA C 62 43.932 43.932 44.306 -0.374 19840 3971 1 14 . 1 1 62 62 GLY H H 62 7.868 7.868 7.468 0.400 19840 3972 1 14 . 1 1 63 63 ARG N N 63 122.424 122.424 120.982 1.442 19840 3973 1 14 . 1 1 63 63 ARG HA H 63 5.229 5.229 4.589 0.640 19840 3974 1 14 . 1 1 63 63 ARG CA C 63 54.037 54.037 55.537 -1.500 19840 3975 1 14 . 1 1 63 63 ARG CB C 63 31.849 31.849 30.969 0.880 19840 3976 1 14 . 1 1 63 63 ARG H H 63 8.730 8.730 8.270 0.460 19840 3977 1 15 . 1 1 2 2 CYS N N 2 119.737 119.737 118.735 1.002 19840 3978 1 15 . 1 1 2 2 CYS HA H 2 5.082 5.082 4.899 0.183 19840 3979 1 15 . 1 1 2 2 CYS CA C 2 53.264 53.264 57.124 -3.860 19840 3980 1 15 . 1 1 2 2 CYS CB C 2 39.218 39.218 31.191 8.027 19840 3981 1 15 . 1 1 2 2 CYS H H 2 9.003 9.003 8.974 0.029 19840 3982 1 15 . 1 1 3 3 VAL N N 3 126.716 126.716 120.434 6.282 19840 3983 1 15 . 1 1 3 3 VAL HA H 3 4.177 4.177 4.560 -0.383 19840 3984 1 15 . 1 1 3 3 VAL CA C 3 64.132 64.132 61.053 3.079 19840 3985 1 15 . 1 1 3 3 VAL CB C 3 31.608 31.608 35.062 -3.454 19840 3986 1 15 . 1 1 3 3 VAL H H 3 8.647 8.647 8.472 0.175 19840 3987 1 15 . 1 1 4 4 ALA N N 4 134.327 134.327 129.384 4.943 19840 3988 1 15 . 1 1 4 4 ALA HA H 4 4.773 4.773 4.814 -0.041 19840 3989 1 15 . 1 1 4 4 ALA CA C 4 49.964 49.964 50.058 -0.094 19840 3990 1 15 . 1 1 4 4 ALA CB C 4 22.047 22.047 21.462 0.585 19840 3991 1 15 . 1 1 4 4 ALA H H 4 9.282 9.282 9.055 0.227 19840 3992 1 15 . 1 1 5 5 ASN N N 5 119.560 119.560 121.464 -1.904 19840 3993 1 15 . 1 1 5 5 ASN HA H 5 5.516 5.516 5.412 0.104 19840 3994 1 15 . 1 1 5 5 ASN CA C 5 50.853 50.853 52.314 -1.461 19840 3995 1 15 . 1 1 5 5 ASN CB C 5 40.194 40.194 43.367 -3.173 19840 3996 1 15 . 1 1 5 5 ASN H H 5 8.760 8.760 8.707 0.053 19840 3997 1 15 . 1 1 6 6 ILE N N 6 123.118 123.118 123.398 -0.280 19840 3998 1 15 . 1 1 6 6 ILE HA H 6 4.961 4.961 4.881 0.080 19840 3999 1 15 . 1 1 6 6 ILE CA C 6 57.398 57.398 59.508 -2.110 19840 4000 1 15 . 1 1 6 6 ILE CB C 6 35.561 35.561 38.093 -2.532 19840 4001 1 15 . 1 1 6 6 ILE H H 6 9.093 9.093 8.965 0.128 19840 4002 1 15 . 1 1 7 7 LEU N N 7 128.607 128.607 127.870 0.737 19840 4003 1 15 . 1 1 7 7 LEU HA H 7 5.399 5.399 5.030 0.369 19840 4004 1 15 . 1 1 7 7 LEU CA C 7 52.382 52.382 53.444 -1.062 19840 4005 1 15 . 1 1 7 7 LEU CB C 7 44.218 44.218 44.077 0.141 19840 4006 1 15 . 1 1 7 7 LEU H H 7 8.896 8.896 8.780 0.116 19840 4007 1 15 . 1 1 8 8 ASN N N 8 114.552 114.552 119.398 -4.846 19840 4008 1 15 . 1 1 8 8 ASN HA H 8 4.847 4.847 4.767 0.080 19840 4009 1 15 . 1 1 8 8 ASN CA C 8 50.359 50.359 51.265 -0.906 19840 4010 1 15 . 1 1 8 8 ASN CB C 8 39.476 39.476 39.100 0.376 19840 4011 1 15 . 1 1 8 8 ASN H H 8 8.341 8.341 8.325 0.016 19840 4012 1 15 . 1 1 9 9 ILE N N 9 120.261 120.261 118.601 1.660 19840 4013 1 15 . 1 1 9 9 ILE HA H 9 4.013 4.013 4.123 -0.110 19840 4014 1 15 . 1 1 9 9 ILE CA C 9 63.509 63.509 63.451 0.058 19840 4015 1 15 . 1 1 9 9 ILE CB C 9 38.538 38.538 38.196 0.342 19840 4016 1 15 . 1 1 9 9 ILE H H 9 8.713 8.713 8.541 0.172 19840 4017 1 15 . 1 1 10 10 ASN N N 10 117.798 117.798 116.717 1.081 19840 4018 1 15 . 1 1 10 10 ASN HA H 10 4.897 4.897 4.800 0.097 19840 4019 1 15 . 1 1 10 10 ASN CA C 10 52.939 52.939 52.892 0.046 19840 4020 1 15 . 1 1 10 10 ASN CB C 10 38.741 38.741 38.896 -0.155 19840 4021 1 15 . 1 1 10 10 ASN H H 10 7.242 7.242 8.014 -0.772 19840 4022 1 15 . 1 1 11 11 GLU N N 11 112.166 112.166 114.702 -2.536 19840 4023 1 15 . 1 1 11 11 GLU HA H 11 3.548 3.548 3.912 -0.364 19840 4024 1 15 . 1 1 11 11 GLU CA C 11 58.111 58.111 57.582 0.529 19840 4025 1 15 . 1 1 11 11 GLU CB C 11 25.932 25.932 26.810 -0.878 19840 4026 1 15 . 1 1 11 11 GLU H H 11 8.242 8.242 8.173 0.069 19840 4027 1 15 . 1 1 12 12 ALA N N 12 121.641 121.641 121.169 0.472 19840 4028 1 15 . 1 1 12 12 ALA HA H 12 4.502 4.502 4.598 -0.096 19840 4029 1 15 . 1 1 12 12 ALA CA C 12 50.413 50.413 50.703 -0.290 19840 4030 1 15 . 1 1 12 12 ALA CB C 12 19.623 19.623 20.657 -1.034 19840 4031 1 15 . 1 1 12 12 ALA H H 12 7.798 7.798 8.668 -0.870 19840 4032 1 15 . 1 1 13 13 VAL N N 13 121.315 121.315 126.393 -5.078 19840 4033 1 15 . 1 1 13 13 VAL HA H 13 4.076 4.076 3.932 0.144 19840 4034 1 15 . 1 1 13 13 VAL CA C 13 63.484 63.484 63.990 -0.506 19840 4035 1 15 . 1 1 13 13 VAL CB C 13 31.277 31.277 30.904 0.373 19840 4036 1 15 . 1 1 13 13 VAL H H 13 8.512 8.512 8.824 -0.312 19840 4037 1 15 . 1 1 14 14 ILE N N 14 121.921 121.921 123.915 -1.994 19840 4038 1 15 . 1 1 14 14 ILE HA H 14 4.635 4.635 4.552 0.083 19840 4039 1 15 . 1 1 14 14 ILE CA C 14 61.188 61.188 61.002 0.186 19840 4040 1 15 . 1 1 14 14 ILE CB C 14 39.644 39.644 38.529 1.115 19840 4041 1 15 . 1 1 14 14 ILE H H 14 9.293 9.293 8.954 0.339 19840 4042 1 15 . 1 1 15 15 ALA N N 15 123.193 123.193 121.861 1.332 19840 4043 1 15 . 1 1 15 15 ALA HA H 15 4.624 4.624 4.745 -0.121 19840 4044 1 15 . 1 1 15 15 ALA CA C 15 52.546 52.546 51.119 1.427 19840 4045 1 15 . 1 1 15 15 ALA CB C 15 22.693 22.693 22.043 0.650 19840 4046 1 15 . 1 1 15 15 ALA H H 15 7.941 7.941 7.765 0.176 19840 4047 1 15 . 1 1 16 16 THR N N 16 114.723 114.723 115.132 -0.409 19840 4048 1 15 . 1 1 16 16 THR HA H 16 5.738 5.738 5.357 0.381 19840 4049 1 15 . 1 1 16 16 THR CA C 16 60.046 60.046 60.532 -0.486 19840 4050 1 15 . 1 1 16 16 THR CB C 16 70.929 70.929 71.441 -0.512 19840 4051 1 15 . 1 1 16 16 THR H H 16 8.582 8.582 8.552 0.030 19840 4052 1 15 . 1 1 17 17 GLY N N 17 111.166 111.166 109.176 1.990 19840 4053 1 15 . 1 1 17 17 GLY CA C 17 45.095 45.095 45.563 -0.468 19840 4054 1 15 . 1 1 17 17 GLY H H 17 8.576 8.576 8.202 0.374 19840 4055 1 15 . 1 1 18 18 CYS N N 18 121.493 121.493 120.244 1.249 19840 4056 1 15 . 1 1 18 18 CYS HA H 18 4.930 4.930 4.953 -0.023 19840 4057 1 15 . 1 1 18 18 CYS CA C 18 53.999 53.999 57.344 -3.345 19840 4058 1 15 . 1 1 18 18 CYS CB C 18 39.899 39.899 26.983 12.916 19840 4059 1 15 . 1 1 18 18 CYS H H 18 8.622 8.622 8.390 0.232 19840 4060 1 15 . 1 1 19 19 VAL N N 19 131.185 131.185 130.420 0.765 19840 4061 1 15 . 1 1 19 19 VAL HA H 19 4.019 4.019 4.547 -0.528 19840 4062 1 15 . 1 1 19 19 VAL CA C 19 59.537 59.537 59.497 0.040 19840 4063 1 15 . 1 1 19 19 VAL CB C 19 33.825 33.825 33.579 0.246 19840 4064 1 15 . 1 1 19 19 VAL H H 19 9.414 9.414 8.822 0.592 19840 4065 1 15 . 1 1 20 20 PRO HA H 20 4.012 4.012 4.536 -0.524 19840 4066 1 15 . 1 1 20 20 PRO CA C 20 62.492 62.492 62.018 0.474 19840 4067 1 15 . 1 1 20 20 PRO CB C 20 31.931 31.931 32.246 -0.315 19840 4068 1 15 . 1 1 21 21 ALA N N 21 127.518 127.518 122.244 5.274 19840 4069 1 15 . 1 1 21 21 ALA HA H 21 3.907 3.907 4.087 -0.180 19840 4070 1 15 . 1 1 21 21 ALA CA C 21 53.558 53.558 52.360 1.198 19840 4071 1 15 . 1 1 21 21 ALA CB C 21 17.717 17.717 18.515 -0.798 19840 4072 1 15 . 1 1 21 21 ALA H H 21 8.147 8.147 8.024 0.123 19840 4073 1 15 . 1 1 22 22 GLY N N 22 114.819 114.819 113.615 1.204 19840 4074 1 15 . 1 1 22 22 GLY CA C 22 46.038 46.038 45.437 0.601 19840 4075 1 15 . 1 1 22 22 GLY H H 22 7.292 7.292 8.323 -1.031 19840 4076 1 15 . 1 1 23 23 GLY N N 23 111.300 111.300 106.651 4.649 19840 4077 1 15 . 1 1 23 23 GLY CA C 23 44.366 44.366 44.195 0.171 19840 4078 1 15 . 1 1 23 23 GLY H H 23 8.204 8.204 7.675 0.529 19840 4079 1 15 . 1 1 24 24 GLU N N 24 116.771 116.771 117.705 -0.934 19840 4080 1 15 . 1 1 24 24 GLU HA H 24 5.594 5.594 5.254 0.340 19840 4081 1 15 . 1 1 24 24 GLU CA C 24 53.749 53.749 55.221 -1.472 19840 4082 1 15 . 1 1 24 24 GLU CB C 24 35.193 35.193 33.688 1.505 19840 4083 1 15 . 1 1 24 24 GLU H H 24 8.131 8.131 8.355 -0.224 19840 4084 1 15 . 1 1 25 25 LEU N N 25 121.029 121.029 121.876 -0.847 19840 4085 1 15 . 1 1 25 25 LEU HA H 25 4.465 4.465 4.673 -0.208 19840 4086 1 15 . 1 1 25 25 LEU CA C 25 54.586 54.586 54.298 0.288 19840 4087 1 15 . 1 1 25 25 LEU CB C 25 49.054 49.054 46.275 2.779 19840 4088 1 15 . 1 1 25 25 LEU H H 25 8.899 8.899 8.807 0.092 19840 4089 1 15 . 1 1 26 26 ARG N N 26 128.131 128.131 127.127 1.004 19840 4090 1 15 . 1 1 26 26 ARG HA H 26 4.864 4.864 4.480 0.384 19840 4091 1 15 . 1 1 26 26 ARG CA C 26 55.359 55.359 55.677 -0.318 19840 4092 1 15 . 1 1 26 26 ARG CB C 26 29.623 29.623 30.112 -0.489 19840 4093 1 15 . 1 1 26 26 ARG H H 26 8.604 8.604 8.491 0.113 19840 4094 1 15 . 1 1 27 27 ILE N N 27 129.246 129.246 126.772 2.474 19840 4095 1 15 . 1 1 27 27 ILE HA H 27 4.202 4.202 3.871 0.331 19840 4096 1 15 . 1 1 27 27 ILE CA C 27 60.765 60.765 60.038 0.727 19840 4097 1 15 . 1 1 27 27 ILE CB C 27 40.383 40.383 40.576 -0.193 19840 4098 1 15 . 1 1 27 27 ILE H H 27 9.029 9.029 8.296 0.733 19840 4099 1 15 . 1 1 28 28 PHE N N 28 127.383 127.383 124.728 2.655 19840 4100 1 15 . 1 1 28 28 PHE HA H 28 3.968 3.968 4.720 -0.752 19840 4101 1 15 . 1 1 28 28 PHE CA C 28 58.921 58.921 56.908 2.013 19840 4102 1 15 . 1 1 28 28 PHE CB C 28 39.444 39.444 38.793 0.651 19840 4103 1 15 . 1 1 28 28 PHE H H 28 8.885 8.885 8.315 0.570 19840 4104 1 15 . 1 1 29 29 VAL N N 29 124.164 124.164 126.317 -2.153 19840 4105 1 15 . 1 1 29 29 VAL HA H 29 3.887 3.887 4.233 -0.346 19840 4106 1 15 . 1 1 29 29 VAL CA C 29 61.099 61.099 60.993 0.106 19840 4107 1 15 . 1 1 29 29 VAL CB C 29 30.194 30.194 29.437 0.757 19840 4108 1 15 . 1 1 29 29 VAL H H 29 8.396 8.396 8.658 -0.262 19840 4109 1 15 . 1 1 30 30 GLY N N 30 113.336 113.336 111.861 1.475 19840 4110 1 15 . 1 1 30 30 GLY CA C 30 46.252 46.252 46.174 0.078 19840 4111 1 15 . 1 1 30 30 GLY H H 30 8.376 8.376 7.790 0.586 19840 4112 1 15 . 1 1 31 31 SER H H 31 8.290 8.290 8.343 -0.053 19840 4113 1 15 . 1 1 32 32 SER N N 32 114.602 114.602 115.093 -0.491 19840 4114 1 15 . 1 1 32 32 SER HA H 32 4.572 4.572 4.539 0.033 19840 4115 1 15 . 1 1 32 32 SER CA C 32 59.632 59.632 58.480 1.152 19840 4116 1 15 . 1 1 32 32 SER CB C 32 64.882 64.882 63.309 1.573 19840 4117 1 15 . 1 1 32 32 SER H H 32 8.344 8.344 7.564 0.780 19840 4118 1 15 . 1 1 33 33 HIS N N 33 114.790 114.790 118.057 -3.267 19840 4119 1 15 . 1 1 33 33 HIS HA H 33 4.881 4.881 4.743 0.138 19840 4120 1 15 . 1 1 33 33 HIS CA C 33 55.139 55.139 55.578 -0.439 19840 4121 1 15 . 1 1 33 33 HIS CB C 33 29.454 29.454 30.904 -1.450 19840 4122 1 15 . 1 1 33 33 HIS H H 33 7.586 7.586 7.903 -0.317 19840 4123 1 15 . 1 1 34 34 SER N N 34 112.452 112.452 118.549 -6.097 19840 4124 1 15 . 1 1 34 34 SER HA H 34 4.651 4.651 5.634 -0.983 19840 4125 1 15 . 1 1 34 34 SER CA C 34 56.296 56.296 57.024 -0.728 19840 4126 1 15 . 1 1 34 34 SER CB C 34 66.406 66.406 66.215 0.191 19840 4127 1 15 . 1 1 34 34 SER H H 34 8.169 8.169 8.374 -0.205 19840 4128 1 15 . 1 1 35 35 TYR N N 35 116.118 116.118 119.711 -3.593 19840 4129 1 15 . 1 1 35 35 TYR HA H 35 5.047 5.047 4.734 0.313 19840 4130 1 15 . 1 1 35 35 TYR CA C 35 55.601 55.601 57.224 -1.623 19840 4131 1 15 . 1 1 35 35 TYR CB C 35 43.070 43.070 41.423 1.647 19840 4132 1 15 . 1 1 35 35 TYR H H 35 8.493 8.493 9.153 -0.660 19840 4133 1 15 . 1 1 36 36 LEU N N 36 125.430 125.430 126.667 -1.237 19840 4134 1 15 . 1 1 36 36 LEU HA H 36 4.565 4.565 4.774 -0.209 19840 4135 1 15 . 1 1 36 36 LEU CA C 36 53.796 53.796 54.761 -0.965 19840 4136 1 15 . 1 1 36 36 LEU CB C 36 41.810 41.810 43.085 -1.275 19840 4137 1 15 . 1 1 36 36 LEU H H 36 8.476 8.476 8.839 -0.363 19840 4138 1 15 . 1 1 37 37 ILE N N 37 129.763 129.763 126.705 3.058 19840 4139 1 15 . 1 1 37 37 ILE HA H 37 4.607 4.607 4.998 -0.391 19840 4140 1 15 . 1 1 37 37 ILE CA C 37 57.337 57.337 58.344 -1.007 19840 4141 1 15 . 1 1 37 37 ILE CB C 37 37.601 37.601 38.955 -1.353 19840 4142 1 15 . 1 1 37 37 ILE H H 37 8.512 8.512 9.057 -0.545 19840 4143 1 15 . 1 1 38 38 LYS N N 38 125.927 125.927 127.776 -1.849 19840 4144 1 15 . 1 1 38 38 LYS HA H 38 4.958 4.958 4.936 0.022 19840 4145 1 15 . 1 1 38 38 LYS CA C 38 54.054 54.054 54.647 -0.592 19840 4146 1 15 . 1 1 38 38 LYS CB C 38 34.807 34.807 35.346 -0.539 19840 4147 1 15 . 1 1 38 38 LYS H H 38 8.849 8.849 9.079 -0.230 19840 4148 1 15 . 1 1 39 39 ALA N N 39 124.260 124.260 131.286 -7.026 19840 4149 1 15 . 1 1 39 39 ALA HA H 39 5.671 5.671 5.012 0.659 19840 4150 1 15 . 1 1 39 39 ALA CA C 39 49.202 49.202 50.307 -1.105 19840 4151 1 15 . 1 1 39 39 ALA CB C 39 23.170 23.170 20.375 2.795 19840 4152 1 15 . 1 1 39 39 ALA H H 39 8.498 8.498 8.906 -0.408 19840 4153 1 15 . 1 1 40 40 THR N N 40 112.492 112.492 119.299 -6.807 19840 4154 1 15 . 1 1 40 40 THR HA H 40 4.651 4.651 4.390 0.261 19840 4155 1 15 . 1 1 40 40 THR CA C 40 60.482 60.482 60.901 -0.419 19840 4156 1 15 . 1 1 40 40 THR CB C 40 71.335 71.335 69.283 2.052 19840 4157 1 15 . 1 1 40 40 THR H H 40 8.996 8.996 8.205 0.791 19840 4158 1 15 . 1 1 41 41 SER H H 41 8.288 8.288 8.628 -0.340 19840 4159 1 15 . 1 1 42 42 SER N N 42 113.261 113.261 115.851 -2.590 19840 4160 1 15 . 1 1 42 42 SER HA H 42 4.636 4.636 4.539 0.097 19840 4161 1 15 . 1 1 42 42 SER CA C 42 57.101 57.101 58.129 -1.028 19840 4162 1 15 . 1 1 42 42 SER CB C 42 62.842 62.842 63.572 -0.730 19840 4163 1 15 . 1 1 42 42 SER H H 42 7.629 7.629 7.929 -0.300 19840 4164 1 15 . 1 1 43 43 CYS N N 43 111.527 111.527 117.808 -6.281 19840 4165 1 15 . 1 1 43 43 CYS HA H 43 4.311 4.311 4.144 0.167 19840 4166 1 15 . 1 1 43 43 CYS CA C 43 54.093 54.093 59.589 -5.496 19840 4167 1 15 . 1 1 43 43 CYS CB C 43 32.030 32.030 25.404 6.626 19840 4168 1 15 . 1 1 43 43 CYS H H 43 8.008 8.008 8.343 -0.335 19840 4169 1 15 . 1 1 44 44 GLY N N 44 107.262 107.262 106.982 0.280 19840 4170 1 15 . 1 1 44 44 GLY CA C 44 45.585 45.585 44.617 0.968 19840 4171 1 15 . 1 1 44 44 GLY H H 44 8.222 8.222 8.172 0.050 19840 4172 1 15 . 1 1 45 45 LEU N N 45 127.185 127.185 126.966 0.219 19840 4173 1 15 . 1 1 45 45 LEU HA H 45 5.586 5.586 5.272 0.314 19840 4174 1 15 . 1 1 45 45 LEU CA C 45 53.741 53.741 54.969 -1.228 19840 4175 1 15 . 1 1 45 45 LEU CB C 45 44.311 44.311 42.775 1.536 19840 4176 1 15 . 1 1 45 45 LEU H H 45 8.684 8.684 8.469 0.215 19840 4177 1 15 . 1 1 46 46 SER N N 46 114.241 114.241 115.314 -1.073 19840 4178 1 15 . 1 1 46 46 SER HA H 46 4.595 4.595 4.718 -0.123 19840 4179 1 15 . 1 1 46 46 SER CA C 46 57.466 57.466 57.451 0.015 19840 4180 1 15 . 1 1 46 46 SER CB C 46 65.844 65.844 65.272 0.572 19840 4181 1 15 . 1 1 46 46 SER H H 46 8.856 8.856 8.235 0.621 19840 4182 1 15 . 1 1 47 47 LEU N N 47 120.302 120.302 122.358 -2.056 19840 4183 1 15 . 1 1 47 47 LEU HA H 47 4.756 4.756 5.327 -0.571 19840 4184 1 15 . 1 1 47 47 LEU CA C 47 53.725 53.725 54.065 -0.340 19840 4185 1 15 . 1 1 47 47 LEU CB C 47 43.078 43.078 44.529 -1.451 19840 4186 1 15 . 1 1 47 47 LEU H H 47 8.482 8.482 8.603 -0.121 19840 4187 1 15 . 1 1 48 48 THR N N 48 119.533 119.533 117.140 2.393 19840 4188 1 15 . 1 1 48 48 THR HA H 48 4.211 4.211 4.512 -0.301 19840 4189 1 15 . 1 1 48 48 THR CA C 48 63.095 63.095 61.432 1.663 19840 4190 1 15 . 1 1 48 48 THR CB C 48 69.170 69.170 69.172 -0.003 19840 4191 1 15 . 1 1 48 48 THR H H 48 8.472 8.472 8.677 -0.205 19840 4192 1 15 . 1 1 49 49 ASN N N 49 120.348 120.348 121.913 -1.565 19840 4193 1 15 . 1 1 49 49 ASN HA H 49 4.511 4.511 4.491 0.020 19840 4194 1 15 . 1 1 49 49 ASN CA C 49 53.577 53.577 54.682 -1.105 19840 4195 1 15 . 1 1 49 49 ASN CB C 49 37.381 37.381 38.521 -1.140 19840 4196 1 15 . 1 1 49 49 ASN H H 49 8.967 8.967 8.677 0.290 19840 4197 1 15 . 1 1 50 50 GLN N N 50 114.907 114.907 117.339 -2.432 19840 4198 1 15 . 1 1 50 50 GLN HA H 50 4.672 4.672 4.678 -0.006 19840 4199 1 15 . 1 1 50 50 GLN CA C 50 54.515 54.515 54.928 -0.413 19840 4200 1 15 . 1 1 50 50 GLN CB C 50 34.947 34.947 31.541 3.406 19840 4201 1 15 . 1 1 50 50 GLN H H 50 7.207 7.207 7.754 -0.547 19840 4202 1 15 . 1 1 51 51 VAL N N 51 112.350 112.350 114.804 -2.454 19840 4203 1 15 . 1 1 51 51 VAL HA H 51 4.430 4.430 4.652 -0.222 19840 4204 1 15 . 1 1 51 51 VAL CA C 51 59.441 59.441 59.966 -0.525 19840 4205 1 15 . 1 1 51 51 VAL CB C 51 34.108 34.108 33.622 0.486 19840 4206 1 15 . 1 1 51 51 VAL H H 51 7.575 7.575 8.080 -0.505 19840 4207 1 15 . 1 1 52 52 PHE N N 52 119.853 119.853 123.252 -3.399 19840 4208 1 15 . 1 1 52 52 PHE HA H 52 4.422 4.422 4.445 -0.023 19840 4209 1 15 . 1 1 52 52 PHE CA C 52 60.310 60.310 59.355 0.955 19840 4210 1 15 . 1 1 52 52 PHE CB C 52 40.650 40.650 39.304 1.346 19840 4211 1 15 . 1 1 52 52 PHE H H 52 8.221 8.221 8.584 -0.363 19840 4212 1 15 . 1 1 53 53 ILE N N 53 116.505 116.505 121.092 -4.587 19840 4213 1 15 . 1 1 53 53 ILE HA H 53 4.688 4.688 4.441 0.247 19840 4214 1 15 . 1 1 53 53 ILE CA C 53 59.582 59.582 60.183 -0.601 19840 4215 1 15 . 1 1 53 53 ILE CB C 53 41.131 41.131 41.067 0.064 19840 4216 1 15 . 1 1 53 53 ILE H H 53 8.436 8.436 7.609 0.827 19840 4217 1 15 . 1 1 54 54 ASN N N 54 113.329 113.329 119.720 -6.391 19840 4218 1 15 . 1 1 54 54 ASN HA H 54 4.351 4.351 4.395 -0.044 19840 4219 1 15 . 1 1 54 54 ASN CA C 54 54.129 54.129 53.842 0.287 19840 4220 1 15 . 1 1 54 54 ASN CB C 54 37.453 37.453 37.151 0.302 19840 4221 1 15 . 1 1 54 54 ASN H H 54 8.889 8.889 9.099 -0.210 19840 4222 1 15 . 1 1 55 55 GLY N N 55 107.928 107.928 100.439 7.489 19840 4223 1 15 . 1 1 55 55 GLY CA C 55 46.132 46.132 45.620 0.512 19840 4224 1 15 . 1 1 55 55 GLY H H 55 8.911 8.911 8.434 0.477 19840 4225 1 15 . 1 1 56 56 GLU N N 56 119.227 119.227 118.680 0.547 19840 4226 1 15 . 1 1 56 56 GLU HA H 56 4.590 4.590 5.024 -0.434 19840 4227 1 15 . 1 1 56 56 GLU CA C 56 55.616 55.616 54.403 1.213 19840 4228 1 15 . 1 1 56 56 GLU CB C 56 30.193 30.193 32.645 -2.452 19840 4229 1 15 . 1 1 56 56 GLU H H 56 7.646 7.646 7.389 0.257 19840 4230 1 15 . 1 1 57 57 SER N N 57 109.621 109.621 115.824 -6.203 19840 4231 1 15 . 1 1 57 57 SER HA H 57 2.577 2.577 4.894 -2.317 19840 4232 1 15 . 1 1 57 57 SER CA C 57 57.073 57.073 56.545 0.528 19840 4233 1 15 . 1 1 57 57 SER CB C 57 64.367 64.367 65.639 -1.272 19840 4234 1 15 . 1 1 57 57 SER H H 57 7.939 7.939 8.512 -0.573 19840 4235 1 15 . 1 1 58 58 VAL N N 58 115.887 115.887 116.245 -0.358 19840 4236 1 15 . 1 1 58 58 VAL HA H 58 5.488 5.488 4.987 0.501 19840 4237 1 15 . 1 1 58 58 VAL CA C 58 57.914 57.914 60.403 -2.489 19840 4238 1 15 . 1 1 58 58 VAL CB C 58 34.794 34.794 33.270 1.524 19840 4239 1 15 . 1 1 58 58 VAL H H 58 7.721 7.721 8.136 -0.415 19840 4240 1 15 . 1 1 59 59 GLN N N 59 126.845 126.845 126.106 0.739 19840 4241 1 15 . 1 1 59 59 GLN HA H 59 4.669 4.669 4.752 -0.083 19840 4242 1 15 . 1 1 59 59 GLN CA C 59 53.560 53.560 53.336 0.224 19840 4243 1 15 . 1 1 59 59 GLN CB C 59 33.889 33.889 33.026 0.863 19840 4244 1 15 . 1 1 59 59 GLN H H 59 9.107 9.107 8.941 0.166 19840 4245 1 15 . 1 1 60 60 SER N N 60 119.479 119.479 118.723 0.756 19840 4246 1 15 . 1 1 60 60 SER HA H 60 4.768 4.768 4.853 -0.085 19840 4247 1 15 . 1 1 60 60 SER CA C 60 58.438 58.438 57.216 1.222 19840 4248 1 15 . 1 1 60 60 SER CB C 60 63.484 63.484 63.486 -0.002 19840 4249 1 15 . 1 1 60 60 SER H H 60 8.959 8.959 8.755 0.204 19840 4250 1 15 . 1 1 61 61 GLY N N 61 113.757 113.757 113.338 0.419 19840 4251 1 15 . 1 1 61 61 GLY CA C 61 44.893 44.893 45.403 -0.510 19840 4252 1 15 . 1 1 61 61 GLY H H 61 8.287 8.287 8.548 -0.261 19840 4253 1 15 . 1 1 62 62 GLY N N 62 108.329 108.329 106.818 1.511 19840 4254 1 15 . 1 1 62 62 GLY CA C 62 43.932 43.932 44.423 -0.491 19840 4255 1 15 . 1 1 62 62 GLY H H 62 7.868 7.868 7.360 0.508 19840 4256 1 15 . 1 1 63 63 ARG N N 63 122.424 122.424 119.535 2.889 19840 4257 1 15 . 1 1 63 63 ARG HA H 63 5.229 5.229 4.568 0.661 19840 4258 1 15 . 1 1 63 63 ARG CA C 63 54.037 54.037 55.607 -1.570 19840 4259 1 15 . 1 1 63 63 ARG CB C 63 31.849 31.849 30.996 0.853 19840 4260 1 15 . 1 1 63 63 ARG H H 63 8.730 8.730 8.368 0.362 19840 4261 1 16 . 1 1 2 2 CYS N N 2 119.737 119.737 116.941 2.796 19840 4262 1 16 . 1 1 2 2 CYS HA H 2 5.082 5.082 5.332 -0.250 19840 4263 1 16 . 1 1 2 2 CYS CA C 2 53.264 53.264 57.563 -4.299 19840 4264 1 16 . 1 1 2 2 CYS CB C 2 39.218 39.218 32.097 7.121 19840 4265 1 16 . 1 1 2 2 CYS H H 2 9.003 9.003 8.554 0.449 19840 4266 1 16 . 1 1 3 3 VAL N N 3 126.716 126.716 119.074 7.642 19840 4267 1 16 . 1 1 3 3 VAL HA H 3 4.177 4.177 4.618 -0.441 19840 4268 1 16 . 1 1 3 3 VAL CA C 3 64.132 64.132 59.712 4.420 19840 4269 1 16 . 1 1 3 3 VAL CB C 3 31.608 31.608 36.289 -4.681 19840 4270 1 16 . 1 1 3 3 VAL H H 3 8.647 8.647 8.610 0.037 19840 4271 1 16 . 1 1 4 4 ALA N N 4 134.327 134.327 127.190 7.137 19840 4272 1 16 . 1 1 4 4 ALA HA H 4 4.773 4.773 4.816 -0.043 19840 4273 1 16 . 1 1 4 4 ALA CA C 4 49.964 49.964 50.215 -0.251 19840 4274 1 16 . 1 1 4 4 ALA CB C 4 22.047 22.047 21.645 0.402 19840 4275 1 16 . 1 1 4 4 ALA H H 4 9.282 9.282 9.067 0.215 19840 4276 1 16 . 1 1 5 5 ASN N N 5 119.560 119.560 122.450 -2.890 19840 4277 1 16 . 1 1 5 5 ASN HA H 5 5.516 5.516 5.352 0.164 19840 4278 1 16 . 1 1 5 5 ASN CA C 5 50.853 50.853 51.711 -0.858 19840 4279 1 16 . 1 1 5 5 ASN CB C 5 40.194 40.194 41.235 -1.041 19840 4280 1 16 . 1 1 5 5 ASN H H 5 8.760 8.760 8.634 0.126 19840 4281 1 16 . 1 1 6 6 ILE N N 6 123.118 123.118 123.908 -0.790 19840 4282 1 16 . 1 1 6 6 ILE HA H 6 4.961 4.961 4.920 0.041 19840 4283 1 16 . 1 1 6 6 ILE CA C 6 57.398 57.398 60.082 -2.684 19840 4284 1 16 . 1 1 6 6 ILE CB C 6 35.561 35.561 38.398 -2.837 19840 4285 1 16 . 1 1 6 6 ILE H H 6 9.093 9.093 8.733 0.360 19840 4286 1 16 . 1 1 7 7 LEU N N 7 128.607 128.607 126.474 2.133 19840 4287 1 16 . 1 1 7 7 LEU HA H 7 5.399 5.399 5.049 0.350 19840 4288 1 16 . 1 1 7 7 LEU CA C 7 52.382 52.382 53.439 -1.057 19840 4289 1 16 . 1 1 7 7 LEU CB C 7 44.218 44.218 44.678 -0.460 19840 4290 1 16 . 1 1 7 7 LEU H H 7 8.896 8.896 9.148 -0.252 19840 4291 1 16 . 1 1 8 8 ASN N N 8 114.552 114.552 119.641 -5.089 19840 4292 1 16 . 1 1 8 8 ASN HA H 8 4.847 4.847 4.807 0.040 19840 4293 1 16 . 1 1 8 8 ASN CA C 8 50.359 50.359 51.610 -1.251 19840 4294 1 16 . 1 1 8 8 ASN CB C 8 39.476 39.476 39.112 0.364 19840 4295 1 16 . 1 1 8 8 ASN H H 8 8.341 8.341 8.374 -0.033 19840 4296 1 16 . 1 1 9 9 ILE N N 9 120.261 120.261 118.922 1.339 19840 4297 1 16 . 1 1 9 9 ILE HA H 9 4.013 4.013 4.151 -0.138 19840 4298 1 16 . 1 1 9 9 ILE CA C 9 63.509 63.509 63.037 0.472 19840 4299 1 16 . 1 1 9 9 ILE CB C 9 38.538 38.538 38.217 0.321 19840 4300 1 16 . 1 1 9 9 ILE H H 9 8.713 8.713 8.507 0.206 19840 4301 1 16 . 1 1 10 10 ASN N N 10 117.798 117.798 116.844 0.954 19840 4302 1 16 . 1 1 10 10 ASN HA H 10 4.897 4.897 4.773 0.124 19840 4303 1 16 . 1 1 10 10 ASN CA C 10 52.939 52.939 52.445 0.494 19840 4304 1 16 . 1 1 10 10 ASN CB C 10 38.741 38.741 38.745 -0.004 19840 4305 1 16 . 1 1 10 10 ASN H H 10 7.242 7.242 7.966 -0.724 19840 4306 1 16 . 1 1 11 11 GLU N N 11 112.166 112.166 114.449 -2.283 19840 4307 1 16 . 1 1 11 11 GLU HA H 11 3.548 3.548 3.800 -0.252 19840 4308 1 16 . 1 1 11 11 GLU CA C 11 58.111 58.111 57.665 0.446 19840 4309 1 16 . 1 1 11 11 GLU CB C 11 25.932 25.932 26.863 -0.931 19840 4310 1 16 . 1 1 11 11 GLU H H 11 8.242 8.242 8.074 0.168 19840 4311 1 16 . 1 1 12 12 ALA N N 12 121.641 121.641 121.124 0.517 19840 4312 1 16 . 1 1 12 12 ALA HA H 12 4.502 4.502 4.602 -0.100 19840 4313 1 16 . 1 1 12 12 ALA CA C 12 50.413 50.413 50.688 -0.275 19840 4314 1 16 . 1 1 12 12 ALA CB C 12 19.623 19.623 20.517 -0.894 19840 4315 1 16 . 1 1 12 12 ALA H H 12 7.798 7.798 8.761 -0.963 19840 4316 1 16 . 1 1 13 13 VAL N N 13 121.315 121.315 126.587 -5.272 19840 4317 1 16 . 1 1 13 13 VAL HA H 13 4.076 4.076 3.984 0.092 19840 4318 1 16 . 1 1 13 13 VAL CA C 13 63.484 63.484 64.358 -0.874 19840 4319 1 16 . 1 1 13 13 VAL CB C 13 31.277 31.277 31.246 0.031 19840 4320 1 16 . 1 1 13 13 VAL H H 13 8.512 8.512 8.790 -0.278 19840 4321 1 16 . 1 1 14 14 ILE N N 14 121.921 121.921 123.520 -1.599 19840 4322 1 16 . 1 1 14 14 ILE HA H 14 4.635 4.635 4.553 0.082 19840 4323 1 16 . 1 1 14 14 ILE CA C 14 61.188 61.188 60.611 0.577 19840 4324 1 16 . 1 1 14 14 ILE CB C 14 39.644 39.644 38.793 0.851 19840 4325 1 16 . 1 1 14 14 ILE H H 14 9.293 9.293 9.061 0.232 19840 4326 1 16 . 1 1 15 15 ALA N N 15 123.193 123.193 122.125 1.068 19840 4327 1 16 . 1 1 15 15 ALA HA H 15 4.624 4.624 4.754 -0.130 19840 4328 1 16 . 1 1 15 15 ALA CA C 15 52.546 52.546 51.442 1.104 19840 4329 1 16 . 1 1 15 15 ALA CB C 15 22.693 22.693 21.977 0.717 19840 4330 1 16 . 1 1 15 15 ALA H H 15 7.941 7.941 7.808 0.133 19840 4331 1 16 . 1 1 16 16 THR N N 16 114.723 114.723 114.189 0.534 19840 4332 1 16 . 1 1 16 16 THR HA H 16 5.738 5.738 5.289 0.449 19840 4333 1 16 . 1 1 16 16 THR CA C 16 60.046 60.046 60.792 -0.746 19840 4334 1 16 . 1 1 16 16 THR CB C 16 70.929 70.929 71.258 -0.329 19840 4335 1 16 . 1 1 16 16 THR H H 16 8.582 8.582 8.380 0.202 19840 4336 1 16 . 1 1 17 17 GLY N N 17 111.166 111.166 110.507 0.659 19840 4337 1 16 . 1 1 17 17 GLY CA C 17 45.095 45.095 44.821 0.275 19840 4338 1 16 . 1 1 17 17 GLY H H 17 8.576 8.576 8.257 0.319 19840 4339 1 16 . 1 1 18 18 CYS N N 18 121.493 121.493 120.712 0.781 19840 4340 1 16 . 1 1 18 18 CYS HA H 18 4.930 4.930 4.720 0.210 19840 4341 1 16 . 1 1 18 18 CYS CA C 18 53.999 53.999 58.682 -4.683 19840 4342 1 16 . 1 1 18 18 CYS CB C 18 39.899 39.899 27.727 12.172 19840 4343 1 16 . 1 1 18 18 CYS H H 18 8.622 8.622 8.598 0.024 19840 4344 1 16 . 1 1 19 19 VAL N N 19 131.185 131.185 126.198 4.987 19840 4345 1 16 . 1 1 19 19 VAL HA H 19 4.019 4.019 4.520 -0.501 19840 4346 1 16 . 1 1 19 19 VAL CA C 19 59.537 59.537 58.651 0.886 19840 4347 1 16 . 1 1 19 19 VAL CB C 19 33.825 33.825 33.640 0.185 19840 4348 1 16 . 1 1 19 19 VAL H H 19 9.414 9.414 9.077 0.337 19840 4349 1 16 . 1 1 20 20 PRO HA H 20 4.012 4.012 4.531 -0.519 19840 4350 1 16 . 1 1 20 20 PRO CA C 20 62.492 62.492 62.411 0.081 19840 4351 1 16 . 1 1 20 20 PRO CB C 20 31.931 31.931 32.337 -0.406 19840 4352 1 16 . 1 1 21 21 ALA N N 21 127.518 127.518 124.564 2.954 19840 4353 1 16 . 1 1 21 21 ALA HA H 21 3.907 3.907 3.869 0.038 19840 4354 1 16 . 1 1 21 21 ALA CA C 21 53.558 53.558 53.224 0.334 19840 4355 1 16 . 1 1 21 21 ALA CB C 21 17.717 17.717 18.808 -1.091 19840 4356 1 16 . 1 1 21 21 ALA H H 21 8.147 8.147 8.232 -0.085 19840 4357 1 16 . 1 1 22 22 GLY N N 22 114.819 114.819 111.497 3.322 19840 4358 1 16 . 1 1 22 22 GLY CA C 22 46.038 46.038 45.426 0.612 19840 4359 1 16 . 1 1 22 22 GLY H H 22 7.292 7.292 8.189 -0.897 19840 4360 1 16 . 1 1 23 23 GLY N N 23 111.300 111.300 108.244 3.056 19840 4361 1 16 . 1 1 23 23 GLY CA C 23 44.366 44.366 44.083 0.283 19840 4362 1 16 . 1 1 23 23 GLY H H 23 8.204 8.204 8.214 -0.010 19840 4363 1 16 . 1 1 24 24 GLU N N 24 116.771 116.771 117.789 -1.018 19840 4364 1 16 . 1 1 24 24 GLU HA H 24 5.594 5.594 5.201 0.393 19840 4365 1 16 . 1 1 24 24 GLU CA C 24 53.749 53.749 55.048 -1.299 19840 4366 1 16 . 1 1 24 24 GLU CB C 24 35.193 35.193 33.029 2.164 19840 4367 1 16 . 1 1 24 24 GLU H H 24 8.131 8.131 8.354 -0.223 19840 4368 1 16 . 1 1 25 25 LEU N N 25 121.029 121.029 122.603 -1.574 19840 4369 1 16 . 1 1 25 25 LEU HA H 25 4.465 4.465 4.798 -0.333 19840 4370 1 16 . 1 1 25 25 LEU CA C 25 54.586 54.586 54.527 0.059 19840 4371 1 16 . 1 1 25 25 LEU CB C 25 49.054 49.054 46.970 2.084 19840 4372 1 16 . 1 1 25 25 LEU H H 25 8.899 8.899 8.743 0.156 19840 4373 1 16 . 1 1 26 26 ARG N N 26 128.131 128.131 122.876 5.255 19840 4374 1 16 . 1 1 26 26 ARG HA H 26 4.864 4.864 4.856 0.008 19840 4375 1 16 . 1 1 26 26 ARG CA C 26 55.359 55.359 55.252 0.107 19840 4376 1 16 . 1 1 26 26 ARG CB C 26 29.623 29.623 31.399 -1.776 19840 4377 1 16 . 1 1 26 26 ARG H H 26 8.604 8.604 8.536 0.068 19840 4378 1 16 . 1 1 27 27 ILE N N 27 129.246 129.246 125.152 4.094 19840 4379 1 16 . 1 1 27 27 ILE HA H 27 4.202 4.202 4.243 -0.041 19840 4380 1 16 . 1 1 27 27 ILE CA C 27 60.765 60.765 59.884 0.881 19840 4381 1 16 . 1 1 27 27 ILE CB C 27 40.383 40.383 40.800 -0.417 19840 4382 1 16 . 1 1 27 27 ILE H H 27 9.029 9.029 8.704 0.325 19840 4383 1 16 . 1 1 28 28 PHE N N 28 127.383 127.383 121.017 6.366 19840 4384 1 16 . 1 1 28 28 PHE HA H 28 3.968 3.968 5.097 -1.129 19840 4385 1 16 . 1 1 28 28 PHE CA C 28 58.921 58.921 55.993 2.928 19840 4386 1 16 . 1 1 28 28 PHE CB C 28 39.444 39.444 39.441 0.003 19840 4387 1 16 . 1 1 28 28 PHE H H 28 8.885 8.885 7.864 1.021 19840 4388 1 16 . 1 1 29 29 VAL N N 29 124.164 124.164 125.497 -1.333 19840 4389 1 16 . 1 1 29 29 VAL HA H 29 3.887 3.887 4.342 -0.455 19840 4390 1 16 . 1 1 29 29 VAL CA C 29 61.099 61.099 61.221 -0.122 19840 4391 1 16 . 1 1 29 29 VAL CB C 29 30.194 30.194 30.530 -0.336 19840 4392 1 16 . 1 1 29 29 VAL H H 29 8.396 8.396 8.794 -0.398 19840 4393 1 16 . 1 1 30 30 GLY N N 30 113.336 113.336 117.118 -3.782 19840 4394 1 16 . 1 1 30 30 GLY CA C 30 46.252 46.252 45.756 0.496 19840 4395 1 16 . 1 1 30 30 GLY H H 30 8.376 8.376 8.305 0.071 19840 4396 1 16 . 1 1 31 31 SER H H 31 8.290 8.290 8.465 -0.175 19840 4397 1 16 . 1 1 32 32 SER N N 32 114.602 114.602 116.842 -2.240 19840 4398 1 16 . 1 1 32 32 SER HA H 32 4.572 4.572 4.450 0.122 19840 4399 1 16 . 1 1 32 32 SER CA C 32 59.632 59.632 58.242 1.391 19840 4400 1 16 . 1 1 32 32 SER CB C 32 64.882 64.882 63.199 1.683 19840 4401 1 16 . 1 1 32 32 SER H H 32 8.344 8.344 8.124 0.220 19840 4402 1 16 . 1 1 33 33 HIS N N 33 114.790 114.790 120.163 -5.373 19840 4403 1 16 . 1 1 33 33 HIS HA H 33 4.881 4.881 4.689 0.192 19840 4404 1 16 . 1 1 33 33 HIS CA C 33 55.139 55.139 55.392 -0.253 19840 4405 1 16 . 1 1 33 33 HIS CB C 33 29.454 29.454 31.470 -2.016 19840 4406 1 16 . 1 1 33 33 HIS H H 33 7.586 7.586 7.877 -0.291 19840 4407 1 16 . 1 1 34 34 SER N N 34 112.452 112.452 118.529 -6.077 19840 4408 1 16 . 1 1 34 34 SER HA H 34 4.651 4.651 5.300 -0.649 19840 4409 1 16 . 1 1 34 34 SER CA C 34 56.296 56.296 56.902 -0.606 19840 4410 1 16 . 1 1 34 34 SER CB C 34 66.406 66.406 66.385 0.021 19840 4411 1 16 . 1 1 34 34 SER H H 34 8.169 8.169 8.434 -0.265 19840 4412 1 16 . 1 1 35 35 TYR N N 35 116.118 116.118 120.764 -4.646 19840 4413 1 16 . 1 1 35 35 TYR HA H 35 5.047 5.047 4.723 0.324 19840 4414 1 16 . 1 1 35 35 TYR CA C 35 55.601 55.601 57.365 -1.764 19840 4415 1 16 . 1 1 35 35 TYR CB C 35 43.070 43.070 42.221 0.849 19840 4416 1 16 . 1 1 35 35 TYR H H 35 8.493 8.493 8.888 -0.395 19840 4417 1 16 . 1 1 36 36 LEU N N 36 125.430 125.430 126.482 -1.052 19840 4418 1 16 . 1 1 36 36 LEU HA H 36 4.565 4.565 4.715 -0.150 19840 4419 1 16 . 1 1 36 36 LEU CA C 36 53.796 53.796 54.892 -1.096 19840 4420 1 16 . 1 1 36 36 LEU CB C 36 41.810 41.810 43.314 -1.504 19840 4421 1 16 . 1 1 36 36 LEU H H 36 8.476 8.476 8.875 -0.399 19840 4422 1 16 . 1 1 37 37 ILE N N 37 129.763 129.763 126.262 3.501 19840 4423 1 16 . 1 1 37 37 ILE HA H 37 4.607 4.607 4.737 -0.130 19840 4424 1 16 . 1 1 37 37 ILE CA C 37 57.337 57.337 58.569 -1.232 19840 4425 1 16 . 1 1 37 37 ILE CB C 37 37.601 37.601 39.284 -1.683 19840 4426 1 16 . 1 1 37 37 ILE H H 37 8.512 8.512 9.186 -0.674 19840 4427 1 16 . 1 1 38 38 LYS N N 38 125.927 125.927 127.443 -1.516 19840 4428 1 16 . 1 1 38 38 LYS HA H 38 4.958 4.958 4.891 0.067 19840 4429 1 16 . 1 1 38 38 LYS CA C 38 54.054 54.054 54.484 -0.430 19840 4430 1 16 . 1 1 38 38 LYS CB C 38 34.807 34.807 35.605 -0.798 19840 4431 1 16 . 1 1 38 38 LYS H H 38 8.849 8.849 9.081 -0.232 19840 4432 1 16 . 1 1 39 39 ALA N N 39 124.260 124.260 131.122 -6.862 19840 4433 1 16 . 1 1 39 39 ALA HA H 39 5.671 5.671 5.026 0.645 19840 4434 1 16 . 1 1 39 39 ALA CA C 39 49.202 49.202 50.215 -1.013 19840 4435 1 16 . 1 1 39 39 ALA CB C 39 23.170 23.170 20.501 2.669 19840 4436 1 16 . 1 1 39 39 ALA H H 39 8.498 8.498 8.970 -0.472 19840 4437 1 16 . 1 1 40 40 THR N N 40 112.492 112.492 120.205 -7.713 19840 4438 1 16 . 1 1 40 40 THR HA H 40 4.651 4.651 4.416 0.235 19840 4439 1 16 . 1 1 40 40 THR CA C 40 60.482 60.482 60.799 -0.317 19840 4440 1 16 . 1 1 40 40 THR CB C 40 71.335 71.335 69.230 2.105 19840 4441 1 16 . 1 1 40 40 THR H H 40 8.996 8.996 8.243 0.753 19840 4442 1 16 . 1 1 41 41 SER H H 41 8.288 8.288 8.608 -0.320 19840 4443 1 16 . 1 1 42 42 SER N N 42 113.261 113.261 115.750 -2.489 19840 4444 1 16 . 1 1 42 42 SER HA H 42 4.636 4.636 4.547 0.089 19840 4445 1 16 . 1 1 42 42 SER CA C 42 57.101 57.101 58.190 -1.089 19840 4446 1 16 . 1 1 42 42 SER CB C 42 62.842 62.842 63.217 -0.375 19840 4447 1 16 . 1 1 42 42 SER H H 42 7.629 7.629 7.960 -0.331 19840 4448 1 16 . 1 1 43 43 CYS N N 43 111.527 111.527 118.194 -6.667 19840 4449 1 16 . 1 1 43 43 CYS HA H 43 4.311 4.311 4.142 0.169 19840 4450 1 16 . 1 1 43 43 CYS CA C 43 54.093 54.093 59.788 -5.695 19840 4451 1 16 . 1 1 43 43 CYS CB C 43 32.030 32.030 25.950 6.080 19840 4452 1 16 . 1 1 43 43 CYS H H 43 8.008 8.008 8.020 -0.012 19840 4453 1 16 . 1 1 44 44 GLY N N 44 107.262 107.262 106.594 0.668 19840 4454 1 16 . 1 1 44 44 GLY CA C 44 45.585 45.585 44.378 1.207 19840 4455 1 16 . 1 1 44 44 GLY H H 44 8.222 8.222 8.001 0.221 19840 4456 1 16 . 1 1 45 45 LEU N N 45 127.185 127.185 126.681 0.504 19840 4457 1 16 . 1 1 45 45 LEU HA H 45 5.586 5.586 5.244 0.342 19840 4458 1 16 . 1 1 45 45 LEU CA C 45 53.741 53.741 54.782 -1.041 19840 4459 1 16 . 1 1 45 45 LEU CB C 45 44.311 44.311 43.030 1.281 19840 4460 1 16 . 1 1 45 45 LEU H H 45 8.684 8.684 8.331 0.353 19840 4461 1 16 . 1 1 46 46 SER N N 46 114.241 114.241 116.319 -2.078 19840 4462 1 16 . 1 1 46 46 SER HA H 46 4.595 4.595 4.520 0.075 19840 4463 1 16 . 1 1 46 46 SER CA C 46 57.466 57.466 57.768 -0.302 19840 4464 1 16 . 1 1 46 46 SER CB C 46 65.844 65.844 64.539 1.305 19840 4465 1 16 . 1 1 46 46 SER H H 46 8.856 8.856 8.290 0.566 19840 4466 1 16 . 1 1 47 47 LEU N N 47 120.302 120.302 123.169 -2.867 19840 4467 1 16 . 1 1 47 47 LEU HA H 47 4.756 4.756 4.730 0.026 19840 4468 1 16 . 1 1 47 47 LEU CA C 47 53.725 53.725 55.663 -1.938 19840 4469 1 16 . 1 1 47 47 LEU CB C 47 43.078 43.078 42.200 0.877 19840 4470 1 16 . 1 1 47 47 LEU H H 47 8.482 8.482 8.549 -0.067 19840 4471 1 16 . 1 1 48 48 THR N N 48 119.533 119.533 114.282 5.251 19840 4472 1 16 . 1 1 48 48 THR HA H 48 4.211 4.211 4.465 -0.254 19840 4473 1 16 . 1 1 48 48 THR CA C 48 63.095 63.095 61.565 1.530 19840 4474 1 16 . 1 1 48 48 THR CB C 48 69.170 69.170 69.233 -0.063 19840 4475 1 16 . 1 1 48 48 THR H H 48 8.472 8.472 8.444 0.028 19840 4476 1 16 . 1 1 49 49 ASN N N 49 120.348 120.348 121.358 -1.010 19840 4477 1 16 . 1 1 49 49 ASN HA H 49 4.511 4.511 4.452 0.059 19840 4478 1 16 . 1 1 49 49 ASN CA C 49 53.577 53.577 54.588 -1.011 19840 4479 1 16 . 1 1 49 49 ASN CB C 49 37.381 37.381 38.286 -0.905 19840 4480 1 16 . 1 1 49 49 ASN H H 49 8.967 8.967 8.743 0.224 19840 4481 1 16 . 1 1 50 50 GLN N N 50 114.907 114.907 115.189 -0.282 19840 4482 1 16 . 1 1 50 50 GLN HA H 50 4.672 4.672 4.756 -0.084 19840 4483 1 16 . 1 1 50 50 GLN CA C 50 54.515 54.515 54.873 -0.358 19840 4484 1 16 . 1 1 50 50 GLN CB C 50 34.947 34.947 32.668 2.279 19840 4485 1 16 . 1 1 50 50 GLN H H 50 7.207 7.207 7.826 -0.619 19840 4486 1 16 . 1 1 51 51 VAL N N 51 112.350 112.350 115.978 -3.628 19840 4487 1 16 . 1 1 51 51 VAL HA H 51 4.430 4.430 4.651 -0.221 19840 4488 1 16 . 1 1 51 51 VAL CA C 51 59.441 59.441 59.784 -0.343 19840 4489 1 16 . 1 1 51 51 VAL CB C 51 34.108 34.108 33.332 0.776 19840 4490 1 16 . 1 1 51 51 VAL H H 51 7.575 7.575 8.344 -0.769 19840 4491 1 16 . 1 1 52 52 PHE N N 52 119.853 119.853 119.522 0.331 19840 4492 1 16 . 1 1 52 52 PHE HA H 52 4.422 4.422 4.409 0.013 19840 4493 1 16 . 1 1 52 52 PHE CA C 52 60.310 60.310 57.109 3.201 19840 4494 1 16 . 1 1 52 52 PHE CB C 52 40.650 40.650 40.280 0.370 19840 4495 1 16 . 1 1 52 52 PHE H H 52 8.221 8.221 8.162 0.059 19840 4496 1 16 . 1 1 53 53 ILE N N 53 116.505 116.505 121.482 -4.977 19840 4497 1 16 . 1 1 53 53 ILE HA H 53 4.688 4.688 4.674 0.014 19840 4498 1 16 . 1 1 53 53 ILE CA C 53 59.582 59.582 59.836 -0.254 19840 4499 1 16 . 1 1 53 53 ILE CB C 53 41.131 41.131 41.314 -0.183 19840 4500 1 16 . 1 1 53 53 ILE H H 53 8.436 8.436 8.568 -0.132 19840 4501 1 16 . 1 1 54 54 ASN N N 54 113.329 113.329 118.249 -4.920 19840 4502 1 16 . 1 1 54 54 ASN HA H 54 4.351 4.351 4.382 -0.031 19840 4503 1 16 . 1 1 54 54 ASN CA C 54 54.129 54.129 53.970 0.159 19840 4504 1 16 . 1 1 54 54 ASN CB C 54 37.453 37.453 37.727 -0.275 19840 4505 1 16 . 1 1 54 54 ASN H H 54 8.889 8.889 9.102 -0.213 19840 4506 1 16 . 1 1 55 55 GLY N N 55 107.928 107.928 101.977 5.951 19840 4507 1 16 . 1 1 55 55 GLY CA C 55 46.132 46.132 45.439 0.693 19840 4508 1 16 . 1 1 55 55 GLY H H 55 8.911 8.911 8.606 0.305 19840 4509 1 16 . 1 1 56 56 GLU N N 56 119.227 119.227 120.340 -1.113 19840 4510 1 16 . 1 1 56 56 GLU HA H 56 4.590 4.590 4.490 0.100 19840 4511 1 16 . 1 1 56 56 GLU CA C 56 55.616 55.616 56.342 -0.726 19840 4512 1 16 . 1 1 56 56 GLU CB C 56 30.193 30.193 31.127 -0.934 19840 4513 1 16 . 1 1 56 56 GLU H H 56 7.646 7.646 7.833 -0.187 19840 4514 1 16 . 1 1 57 57 SER N N 57 109.621 109.621 113.943 -4.322 19840 4515 1 16 . 1 1 57 57 SER HA H 57 2.577 2.577 3.841 -1.264 19840 4516 1 16 . 1 1 57 57 SER CA C 57 57.073 57.073 57.148 -0.075 19840 4517 1 16 . 1 1 57 57 SER CB C 57 64.367 64.367 65.879 -1.512 19840 4518 1 16 . 1 1 57 57 SER H H 57 7.939 7.939 7.968 -0.029 19840 4519 1 16 . 1 1 58 58 VAL N N 58 115.887 115.887 116.980 -1.093 19840 4520 1 16 . 1 1 58 58 VAL HA H 58 5.488 5.488 5.127 0.361 19840 4521 1 16 . 1 1 58 58 VAL CA C 58 57.914 57.914 60.467 -2.553 19840 4522 1 16 . 1 1 58 58 VAL CB C 58 34.794 34.794 34.048 0.746 19840 4523 1 16 . 1 1 58 58 VAL H H 58 7.721 7.721 8.129 -0.408 19840 4524 1 16 . 1 1 59 59 GLN N N 59 126.845 126.845 123.520 3.325 19840 4525 1 16 . 1 1 59 59 GLN HA H 59 4.669 4.669 4.712 -0.043 19840 4526 1 16 . 1 1 59 59 GLN CA C 59 53.560 53.560 54.133 -0.572 19840 4527 1 16 . 1 1 59 59 GLN CB C 59 33.889 33.889 33.930 -0.041 19840 4528 1 16 . 1 1 59 59 GLN H H 59 9.107 9.107 8.872 0.235 19840 4529 1 16 . 1 1 60 60 SER N N 60 119.479 119.479 120.241 -0.762 19840 4530 1 16 . 1 1 60 60 SER HA H 60 4.768 4.768 4.881 -0.113 19840 4531 1 16 . 1 1 60 60 SER CA C 60 58.438 58.438 57.693 0.745 19840 4532 1 16 . 1 1 60 60 SER CB C 60 63.484 63.484 62.677 0.807 19840 4533 1 16 . 1 1 60 60 SER H H 60 8.959 8.959 8.807 0.152 19840 4534 1 16 . 1 1 61 61 GLY N N 61 113.757 113.757 110.601 3.156 19840 4535 1 16 . 1 1 61 61 GLY CA C 61 44.893 44.893 45.603 -0.710 19840 4536 1 16 . 1 1 61 61 GLY H H 61 8.287 8.287 8.172 0.115 19840 4537 1 16 . 1 1 62 62 GLY N N 62 108.329 108.329 107.559 0.770 19840 4538 1 16 . 1 1 62 62 GLY CA C 62 43.932 43.932 44.386 -0.454 19840 4539 1 16 . 1 1 62 62 GLY H H 62 7.868 7.868 7.646 0.222 19840 4540 1 16 . 1 1 63 63 ARG N N 63 122.424 122.424 119.852 2.572 19840 4541 1 16 . 1 1 63 63 ARG HA H 63 5.229 5.229 4.849 0.380 19840 4542 1 16 . 1 1 63 63 ARG CA C 63 54.037 54.037 55.445 -1.408 19840 4543 1 16 . 1 1 63 63 ARG CB C 63 31.849 31.849 31.374 0.475 19840 4544 1 16 . 1 1 63 63 ARG H H 63 8.730 8.730 8.172 0.558 19840 4545 1 17 . 1 1 2 2 CYS N N 2 119.737 119.737 116.380 3.357 19840 4546 1 17 . 1 1 2 2 CYS HA H 2 5.082 5.082 5.203 -0.121 19840 4547 1 17 . 1 1 2 2 CYS CA C 2 53.264 53.264 57.979 -4.715 19840 4548 1 17 . 1 1 2 2 CYS CB C 2 39.218 39.218 32.303 6.915 19840 4549 1 17 . 1 1 2 2 CYS H H 2 9.003 9.003 9.004 -0.001 19840 4550 1 17 . 1 1 3 3 VAL N N 3 126.716 126.716 119.373 7.343 19840 4551 1 17 . 1 1 3 3 VAL HA H 3 4.177 4.177 4.305 -0.128 19840 4552 1 17 . 1 1 3 3 VAL CA C 3 64.132 64.132 60.914 3.218 19840 4553 1 17 . 1 1 3 3 VAL CB C 3 31.608 31.608 34.224 -2.616 19840 4554 1 17 . 1 1 3 3 VAL H H 3 8.647 8.647 8.544 0.103 19840 4555 1 17 . 1 1 4 4 ALA N N 4 134.327 134.327 129.439 4.888 19840 4556 1 17 . 1 1 4 4 ALA HA H 4 4.773 4.773 4.660 0.113 19840 4557 1 17 . 1 1 4 4 ALA CA C 4 49.964 49.964 50.568 -0.604 19840 4558 1 17 . 1 1 4 4 ALA CB C 4 22.047 22.047 22.089 -0.042 19840 4559 1 17 . 1 1 4 4 ALA H H 4 9.282 9.282 9.131 0.151 19840 4560 1 17 . 1 1 5 5 ASN N N 5 119.560 119.560 120.411 -0.851 19840 4561 1 17 . 1 1 5 5 ASN HA H 5 5.516 5.516 5.375 0.141 19840 4562 1 17 . 1 1 5 5 ASN CA C 5 50.853 50.853 51.724 -0.870 19840 4563 1 17 . 1 1 5 5 ASN CB C 5 40.194 40.194 43.263 -3.069 19840 4564 1 17 . 1 1 5 5 ASN H H 5 8.760 8.760 8.609 0.151 19840 4565 1 17 . 1 1 6 6 ILE N N 6 123.118 123.118 122.164 0.954 19840 4566 1 17 . 1 1 6 6 ILE HA H 6 4.961 4.961 5.001 -0.040 19840 4567 1 17 . 1 1 6 6 ILE CA C 6 57.398 57.398 59.380 -1.982 19840 4568 1 17 . 1 1 6 6 ILE CB C 6 35.561 35.561 39.345 -3.784 19840 4569 1 17 . 1 1 6 6 ILE H H 6 9.093 9.093 8.597 0.496 19840 4570 1 17 . 1 1 7 7 LEU N N 7 128.607 128.607 126.454 2.153 19840 4571 1 17 . 1 1 7 7 LEU HA H 7 5.399 5.399 5.076 0.323 19840 4572 1 17 . 1 1 7 7 LEU CA C 7 52.382 52.382 53.485 -1.103 19840 4573 1 17 . 1 1 7 7 LEU CB C 7 44.218 44.218 44.422 -0.204 19840 4574 1 17 . 1 1 7 7 LEU H H 7 8.896 8.896 9.018 -0.122 19840 4575 1 17 . 1 1 8 8 ASN N N 8 114.552 114.552 120.162 -5.610 19840 4576 1 17 . 1 1 8 8 ASN HA H 8 4.847 4.847 4.831 0.016 19840 4577 1 17 . 1 1 8 8 ASN CA C 8 50.359 50.359 51.441 -1.083 19840 4578 1 17 . 1 1 8 8 ASN CB C 8 39.476 39.476 39.047 0.430 19840 4579 1 17 . 1 1 8 8 ASN H H 8 8.341 8.341 8.499 -0.158 19840 4580 1 17 . 1 1 9 9 ILE N N 9 120.261 120.261 116.974 3.287 19840 4581 1 17 . 1 1 9 9 ILE HA H 9 4.013 4.013 3.885 0.128 19840 4582 1 17 . 1 1 9 9 ILE CA C 9 63.509 63.509 63.750 -0.241 19840 4583 1 17 . 1 1 9 9 ILE CB C 9 38.538 38.538 36.362 2.176 19840 4584 1 17 . 1 1 9 9 ILE H H 9 8.713 8.713 8.535 0.178 19840 4585 1 17 . 1 1 10 10 ASN N N 10 117.798 117.798 116.067 1.731 19840 4586 1 17 . 1 1 10 10 ASN HA H 10 4.897 4.897 4.659 0.238 19840 4587 1 17 . 1 1 10 10 ASN CA C 10 52.939 52.939 52.520 0.419 19840 4588 1 17 . 1 1 10 10 ASN CB C 10 38.741 38.741 38.306 0.435 19840 4589 1 17 . 1 1 10 10 ASN H H 10 7.242 7.242 8.026 -0.784 19840 4590 1 17 . 1 1 11 11 GLU N N 11 112.166 112.166 114.286 -2.120 19840 4591 1 17 . 1 1 11 11 GLU HA H 11 3.548 3.548 3.883 -0.335 19840 4592 1 17 . 1 1 11 11 GLU CA C 11 58.111 58.111 57.702 0.409 19840 4593 1 17 . 1 1 11 11 GLU CB C 11 25.932 25.932 26.716 -0.784 19840 4594 1 17 . 1 1 11 11 GLU H H 11 8.242 8.242 8.098 0.144 19840 4595 1 17 . 1 1 12 12 ALA N N 12 121.641 121.641 121.139 0.502 19840 4596 1 17 . 1 1 12 12 ALA HA H 12 4.502 4.502 4.573 -0.071 19840 4597 1 17 . 1 1 12 12 ALA CA C 12 50.413 50.413 50.805 -0.392 19840 4598 1 17 . 1 1 12 12 ALA CB C 12 19.623 19.623 20.579 -0.956 19840 4599 1 17 . 1 1 12 12 ALA H H 12 7.798 7.798 8.861 -1.063 19840 4600 1 17 . 1 1 13 13 VAL N N 13 121.315 121.315 126.012 -4.697 19840 4601 1 17 . 1 1 13 13 VAL HA H 13 4.076 4.076 3.982 0.094 19840 4602 1 17 . 1 1 13 13 VAL CA C 13 63.484 63.484 64.669 -1.185 19840 4603 1 17 . 1 1 13 13 VAL CB C 13 31.277 31.277 30.445 0.832 19840 4604 1 17 . 1 1 13 13 VAL H H 13 8.512 8.512 8.785 -0.273 19840 4605 1 17 . 1 1 14 14 ILE N N 14 121.921 121.921 123.147 -1.226 19840 4606 1 17 . 1 1 14 14 ILE HA H 14 4.635 4.635 4.497 0.138 19840 4607 1 17 . 1 1 14 14 ILE CA C 14 61.188 61.188 60.883 0.305 19840 4608 1 17 . 1 1 14 14 ILE CB C 14 39.644 39.644 38.728 0.916 19840 4609 1 17 . 1 1 14 14 ILE H H 14 9.293 9.293 9.035 0.258 19840 4610 1 17 . 1 1 15 15 ALA N N 15 123.193 123.193 122.338 0.855 19840 4611 1 17 . 1 1 15 15 ALA HA H 15 4.624 4.624 4.880 -0.256 19840 4612 1 17 . 1 1 15 15 ALA CA C 15 52.546 52.546 51.101 1.445 19840 4613 1 17 . 1 1 15 15 ALA CB C 15 22.693 22.693 22.178 0.515 19840 4614 1 17 . 1 1 15 15 ALA H H 15 7.941 7.941 7.759 0.182 19840 4615 1 17 . 1 1 16 16 THR N N 16 114.723 114.723 111.882 2.841 19840 4616 1 17 . 1 1 16 16 THR HA H 16 5.738 5.738 5.591 0.147 19840 4617 1 17 . 1 1 16 16 THR CA C 16 60.046 60.046 60.098 -0.052 19840 4618 1 17 . 1 1 16 16 THR CB C 16 70.929 70.929 71.929 -1.000 19840 4619 1 17 . 1 1 16 16 THR H H 16 8.582 8.582 8.648 -0.066 19840 4620 1 17 . 1 1 17 17 GLY N N 17 111.166 111.166 109.384 1.782 19840 4621 1 17 . 1 1 17 17 GLY CA C 17 45.095 45.095 45.155 -0.060 19840 4622 1 17 . 1 1 17 17 GLY H H 17 8.576 8.576 8.504 0.072 19840 4623 1 17 . 1 1 18 18 CYS N N 18 121.493 121.493 120.437 1.056 19840 4624 1 17 . 1 1 18 18 CYS HA H 18 4.930 4.930 4.891 0.039 19840 4625 1 17 . 1 1 18 18 CYS CA C 18 53.999 53.999 57.264 -3.265 19840 4626 1 17 . 1 1 18 18 CYS CB C 18 39.899 39.899 27.886 12.013 19840 4627 1 17 . 1 1 18 18 CYS H H 18 8.622 8.622 8.520 0.102 19840 4628 1 17 . 1 1 19 19 VAL N N 19 131.185 131.185 128.798 2.387 19840 4629 1 17 . 1 1 19 19 VAL HA H 19 4.019 4.019 4.614 -0.595 19840 4630 1 17 . 1 1 19 19 VAL CA C 19 59.537 59.537 58.773 0.764 19840 4631 1 17 . 1 1 19 19 VAL CB C 19 33.825 33.825 34.942 -1.117 19840 4632 1 17 . 1 1 19 19 VAL H H 19 9.414 9.414 9.062 0.352 19840 4633 1 17 . 1 1 20 20 PRO HA H 20 4.012 4.012 4.454 -0.442 19840 4634 1 17 . 1 1 20 20 PRO CA C 20 62.492 62.492 62.473 0.019 19840 4635 1 17 . 1 1 20 20 PRO CB C 20 31.931 31.931 32.369 -0.438 19840 4636 1 17 . 1 1 21 21 ALA N N 21 127.518 127.518 121.773 5.745 19840 4637 1 17 . 1 1 21 21 ALA HA H 21 3.907 3.907 4.117 -0.210 19840 4638 1 17 . 1 1 21 21 ALA CA C 21 53.558 53.558 52.643 0.915 19840 4639 1 17 . 1 1 21 21 ALA CB C 21 17.717 17.717 18.634 -0.917 19840 4640 1 17 . 1 1 21 21 ALA H H 21 8.147 8.147 8.120 0.027 19840 4641 1 17 . 1 1 22 22 GLY N N 22 114.819 114.819 113.195 1.624 19840 4642 1 17 . 1 1 22 22 GLY CA C 22 46.038 46.038 45.535 0.502 19840 4643 1 17 . 1 1 22 22 GLY H H 22 7.292 7.292 8.711 -1.419 19840 4644 1 17 . 1 1 23 23 GLY N N 23 111.300 111.300 107.584 3.716 19840 4645 1 17 . 1 1 23 23 GLY CA C 23 44.366 44.366 43.911 0.455 19840 4646 1 17 . 1 1 23 23 GLY H H 23 8.204 8.204 7.689 0.515 19840 4647 1 17 . 1 1 24 24 GLU N N 24 116.771 116.771 117.453 -0.682 19840 4648 1 17 . 1 1 24 24 GLU HA H 24 5.594 5.594 5.085 0.509 19840 4649 1 17 . 1 1 24 24 GLU CA C 24 53.749 53.749 55.618 -1.869 19840 4650 1 17 . 1 1 24 24 GLU CB C 24 35.193 35.193 31.873 3.320 19840 4651 1 17 . 1 1 24 24 GLU H H 24 8.131 8.131 7.911 0.220 19840 4652 1 17 . 1 1 25 25 LEU N N 25 121.029 121.029 120.723 0.306 19840 4653 1 17 . 1 1 25 25 LEU HA H 25 4.465 4.465 4.704 -0.239 19840 4654 1 17 . 1 1 25 25 LEU CA C 25 54.586 54.586 54.579 0.007 19840 4655 1 17 . 1 1 25 25 LEU CB C 25 49.054 49.054 46.797 2.257 19840 4656 1 17 . 1 1 25 25 LEU H H 25 8.899 8.899 8.604 0.295 19840 4657 1 17 . 1 1 26 26 ARG N N 26 128.131 128.131 122.489 5.642 19840 4658 1 17 . 1 1 26 26 ARG HA H 26 4.864 4.864 4.786 0.078 19840 4659 1 17 . 1 1 26 26 ARG CA C 26 55.359 55.359 55.275 0.084 19840 4660 1 17 . 1 1 26 26 ARG CB C 26 29.623 29.623 31.364 -1.741 19840 4661 1 17 . 1 1 26 26 ARG H H 26 8.604 8.604 8.452 0.152 19840 4662 1 17 . 1 1 27 27 ILE N N 27 129.246 129.246 124.836 4.410 19840 4663 1 17 . 1 1 27 27 ILE HA H 27 4.202 4.202 3.980 0.222 19840 4664 1 17 . 1 1 27 27 ILE CA C 27 60.765 60.765 59.762 1.003 19840 4665 1 17 . 1 1 27 27 ILE CB C 27 40.383 40.383 41.153 -0.770 19840 4666 1 17 . 1 1 27 27 ILE H H 27 9.029 9.029 8.594 0.435 19840 4667 1 17 . 1 1 28 28 PHE N N 28 127.383 127.383 124.096 3.287 19840 4668 1 17 . 1 1 28 28 PHE HA H 28 3.968 3.968 4.725 -0.757 19840 4669 1 17 . 1 1 28 28 PHE CA C 28 58.921 58.921 57.171 1.750 19840 4670 1 17 . 1 1 28 28 PHE CB C 28 39.444 39.444 39.183 0.261 19840 4671 1 17 . 1 1 28 28 PHE H H 28 8.885 8.885 8.250 0.635 19840 4672 1 17 . 1 1 29 29 VAL N N 29 124.164 124.164 120.979 3.185 19840 4673 1 17 . 1 1 29 29 VAL HA H 29 3.887 3.887 4.563 -0.676 19840 4674 1 17 . 1 1 29 29 VAL CA C 29 61.099 61.099 61.029 0.070 19840 4675 1 17 . 1 1 29 29 VAL CB C 29 30.194 30.194 34.270 -4.076 19840 4676 1 17 . 1 1 29 29 VAL H H 29 8.396 8.396 8.653 -0.257 19840 4677 1 17 . 1 1 30 30 GLY N N 30 113.336 113.336 116.370 -3.034 19840 4678 1 17 . 1 1 30 30 GLY CA C 30 46.252 46.252 45.289 0.963 19840 4679 1 17 . 1 1 30 30 GLY H H 30 8.376 8.376 8.979 -0.603 19840 4680 1 17 . 1 1 31 31 SER H H 31 8.290 8.290 8.782 -0.492 19840 4681 1 17 . 1 1 32 32 SER N N 32 114.602 114.602 112.640 1.962 19840 4682 1 17 . 1 1 32 32 SER HA H 32 4.572 4.572 4.383 0.189 19840 4683 1 17 . 1 1 32 32 SER CA C 32 59.632 59.632 58.614 1.018 19840 4684 1 17 . 1 1 32 32 SER CB C 32 64.882 64.882 64.731 0.151 19840 4685 1 17 . 1 1 32 32 SER H H 32 8.344 8.344 8.347 -0.003 19840 4686 1 17 . 1 1 33 33 HIS N N 33 114.790 114.790 121.971 -7.181 19840 4687 1 17 . 1 1 33 33 HIS HA H 33 4.881 4.881 5.078 -0.197 19840 4688 1 17 . 1 1 33 33 HIS CA C 33 55.139 55.139 55.444 -0.305 19840 4689 1 17 . 1 1 33 33 HIS CB C 33 29.454 29.454 33.106 -3.652 19840 4690 1 17 . 1 1 33 33 HIS H H 33 7.586 7.586 7.817 -0.231 19840 4691 1 17 . 1 1 34 34 SER N N 34 112.452 112.452 114.282 -1.830 19840 4692 1 17 . 1 1 34 34 SER HA H 34 4.651 4.651 5.547 -0.896 19840 4693 1 17 . 1 1 34 34 SER CA C 34 56.296 56.296 57.021 -0.725 19840 4694 1 17 . 1 1 34 34 SER CB C 34 66.406 66.406 66.306 0.100 19840 4695 1 17 . 1 1 34 34 SER H H 34 8.169 8.169 8.665 -0.496 19840 4696 1 17 . 1 1 35 35 TYR N N 35 116.118 116.118 119.602 -3.484 19840 4697 1 17 . 1 1 35 35 TYR HA H 35 5.047 5.047 4.888 0.159 19840 4698 1 17 . 1 1 35 35 TYR CA C 35 55.601 55.601 57.232 -1.631 19840 4699 1 17 . 1 1 35 35 TYR CB C 35 43.070 43.070 41.894 1.176 19840 4700 1 17 . 1 1 35 35 TYR H H 35 8.493 8.493 8.754 -0.261 19840 4701 1 17 . 1 1 36 36 LEU N N 36 125.430 125.430 125.661 -0.231 19840 4702 1 17 . 1 1 36 36 LEU HA H 36 4.565 4.565 4.612 -0.047 19840 4703 1 17 . 1 1 36 36 LEU CA C 36 53.796 53.796 54.991 -1.195 19840 4704 1 17 . 1 1 36 36 LEU CB C 36 41.810 41.810 43.206 -1.396 19840 4705 1 17 . 1 1 36 36 LEU H H 36 8.476 8.476 8.862 -0.386 19840 4706 1 17 . 1 1 37 37 ILE N N 37 129.763 129.763 127.015 2.748 19840 4707 1 17 . 1 1 37 37 ILE HA H 37 4.607 4.607 4.392 0.215 19840 4708 1 17 . 1 1 37 37 ILE CA C 37 57.337 57.337 59.183 -1.846 19840 4709 1 17 . 1 1 37 37 ILE CB C 37 37.601 37.601 38.576 -0.975 19840 4710 1 17 . 1 1 37 37 ILE H H 37 8.512 8.512 9.130 -0.618 19840 4711 1 17 . 1 1 38 38 LYS N N 38 125.927 125.927 128.345 -2.418 19840 4712 1 17 . 1 1 38 38 LYS HA H 38 4.958 4.958 4.827 0.131 19840 4713 1 17 . 1 1 38 38 LYS CA C 38 54.054 54.054 54.698 -0.644 19840 4714 1 17 . 1 1 38 38 LYS CB C 38 34.807 34.807 35.214 -0.407 19840 4715 1 17 . 1 1 38 38 LYS H H 38 8.849 8.849 8.992 -0.143 19840 4716 1 17 . 1 1 39 39 ALA N N 39 124.260 124.260 130.619 -6.359 19840 4717 1 17 . 1 1 39 39 ALA HA H 39 5.671 5.671 5.412 0.259 19840 4718 1 17 . 1 1 39 39 ALA CA C 39 49.202 49.202 49.895 -0.693 19840 4719 1 17 . 1 1 39 39 ALA CB C 39 23.170 23.170 21.145 2.025 19840 4720 1 17 . 1 1 39 39 ALA H H 39 8.498 8.498 8.565 -0.067 19840 4721 1 17 . 1 1 40 40 THR N N 40 112.492 112.492 115.140 -2.648 19840 4722 1 17 . 1 1 40 40 THR HA H 40 4.651 4.651 4.611 0.040 19840 4723 1 17 . 1 1 40 40 THR CA C 40 60.482 60.482 60.437 0.045 19840 4724 1 17 . 1 1 40 40 THR CB C 40 71.335 71.335 70.289 1.046 19840 4725 1 17 . 1 1 40 40 THR H H 40 8.996 8.996 8.382 0.614 19840 4726 1 17 . 1 1 41 41 SER H H 41 8.288 8.288 8.668 -0.380 19840 4727 1 17 . 1 1 42 42 SER N N 42 113.261 113.261 115.403 -2.142 19840 4728 1 17 . 1 1 42 42 SER HA H 42 4.636 4.636 4.619 0.017 19840 4729 1 17 . 1 1 42 42 SER CA C 42 57.101 57.101 57.924 -0.823 19840 4730 1 17 . 1 1 42 42 SER CB C 42 62.842 62.842 63.668 -0.826 19840 4731 1 17 . 1 1 42 42 SER H H 42 7.629 7.629 7.775 -0.146 19840 4732 1 17 . 1 1 43 43 CYS N N 43 111.527 111.527 117.362 -5.835 19840 4733 1 17 . 1 1 43 43 CYS HA H 43 4.311 4.311 4.094 0.217 19840 4734 1 17 . 1 1 43 43 CYS CA C 43 54.093 54.093 59.891 -5.798 19840 4735 1 17 . 1 1 43 43 CYS CB C 43 32.030 32.030 25.508 6.522 19840 4736 1 17 . 1 1 43 43 CYS H H 43 8.008 8.008 7.808 0.200 19840 4737 1 17 . 1 1 44 44 GLY N N 44 107.262 107.262 107.066 0.196 19840 4738 1 17 . 1 1 44 44 GLY CA C 44 45.585 45.585 45.015 0.570 19840 4739 1 17 . 1 1 44 44 GLY H H 44 8.222 8.222 7.681 0.541 19840 4740 1 17 . 1 1 45 45 LEU N N 45 127.185 127.185 124.907 2.278 19840 4741 1 17 . 1 1 45 45 LEU HA H 45 5.586 5.586 5.159 0.427 19840 4742 1 17 . 1 1 45 45 LEU CA C 45 53.741 53.741 54.577 -0.835 19840 4743 1 17 . 1 1 45 45 LEU CB C 45 44.311 44.311 43.365 0.946 19840 4744 1 17 . 1 1 45 45 LEU H H 45 8.684 8.684 8.344 0.340 19840 4745 1 17 . 1 1 46 46 SER N N 46 114.241 114.241 116.197 -1.956 19840 4746 1 17 . 1 1 46 46 SER HA H 46 4.595 4.595 4.509 0.086 19840 4747 1 17 . 1 1 46 46 SER CA C 46 57.466 57.466 57.584 -0.118 19840 4748 1 17 . 1 1 46 46 SER CB C 46 65.844 65.844 65.323 0.521 19840 4749 1 17 . 1 1 46 46 SER H H 46 8.856 8.856 8.341 0.515 19840 4750 1 17 . 1 1 47 47 LEU N N 47 120.302 120.302 123.655 -3.353 19840 4751 1 17 . 1 1 47 47 LEU HA H 47 4.756 4.756 4.519 0.237 19840 4752 1 17 . 1 1 47 47 LEU CA C 47 53.725 53.725 55.540 -1.815 19840 4753 1 17 . 1 1 47 47 LEU CB C 47 43.078 43.078 42.799 0.279 19840 4754 1 17 . 1 1 47 47 LEU H H 47 8.482 8.482 8.766 -0.284 19840 4755 1 17 . 1 1 48 48 THR N N 48 119.533 119.533 121.063 -1.530 19840 4756 1 17 . 1 1 48 48 THR HA H 48 4.211 4.211 4.153 0.058 19840 4757 1 17 . 1 1 48 48 THR CA C 48 63.095 63.095 63.311 -0.216 19840 4758 1 17 . 1 1 48 48 THR CB C 48 69.170 69.170 67.867 1.303 19840 4759 1 17 . 1 1 48 48 THR H H 48 8.472 8.472 8.710 -0.238 19840 4760 1 17 . 1 1 49 49 ASN N N 49 120.348 120.348 118.407 1.941 19840 4761 1 17 . 1 1 49 49 ASN HA H 49 4.511 4.511 4.256 0.255 19840 4762 1 17 . 1 1 49 49 ASN CA C 49 53.577 53.577 54.631 -1.054 19840 4763 1 17 . 1 1 49 49 ASN CB C 49 37.381 37.381 37.927 -0.546 19840 4764 1 17 . 1 1 49 49 ASN H H 49 8.967 8.967 8.351 0.616 19840 4765 1 17 . 1 1 50 50 GLN N N 50 114.907 114.907 117.946 -3.039 19840 4766 1 17 . 1 1 50 50 GLN HA H 50 4.672 4.672 4.522 0.150 19840 4767 1 17 . 1 1 50 50 GLN CA C 50 54.515 54.515 54.975 -0.460 19840 4768 1 17 . 1 1 50 50 GLN CB C 50 34.947 34.947 29.903 5.044 19840 4769 1 17 . 1 1 50 50 GLN H H 50 7.207 7.207 7.920 -0.713 19840 4770 1 17 . 1 1 51 51 VAL N N 51 112.350 112.350 117.654 -5.304 19840 4771 1 17 . 1 1 51 51 VAL HA H 51 4.430 4.430 4.461 -0.031 19840 4772 1 17 . 1 1 51 51 VAL CA C 51 59.441 59.441 61.428 -1.987 19840 4773 1 17 . 1 1 51 51 VAL CB C 51 34.108 34.108 32.563 1.545 19840 4774 1 17 . 1 1 51 51 VAL H H 51 7.575 7.575 8.084 -0.509 19840 4775 1 17 . 1 1 52 52 PHE N N 52 119.853 119.853 127.149 -7.296 19840 4776 1 17 . 1 1 52 52 PHE HA H 52 4.422 4.422 4.863 -0.441 19840 4777 1 17 . 1 1 52 52 PHE CA C 52 60.310 60.310 57.650 2.660 19840 4778 1 17 . 1 1 52 52 PHE CB C 52 40.650 40.650 39.517 1.133 19840 4779 1 17 . 1 1 52 52 PHE H H 52 8.221 8.221 8.513 -0.292 19840 4780 1 17 . 1 1 53 53 ILE N N 53 116.505 116.505 122.458 -5.953 19840 4781 1 17 . 1 1 53 53 ILE HA H 53 4.688 4.688 3.947 0.741 19840 4782 1 17 . 1 1 53 53 ILE CA C 53 59.582 59.582 59.353 0.229 19840 4783 1 17 . 1 1 53 53 ILE CB C 53 41.131 41.131 40.737 0.394 19840 4784 1 17 . 1 1 53 53 ILE H H 53 8.436 8.436 8.096 0.340 19840 4785 1 17 . 1 1 54 54 ASN N N 54 113.329 113.329 117.763 -4.434 19840 4786 1 17 . 1 1 54 54 ASN HA H 54 4.351 4.351 4.340 0.011 19840 4787 1 17 . 1 1 54 54 ASN CA C 54 54.129 54.129 54.334 -0.205 19840 4788 1 17 . 1 1 54 54 ASN CB C 54 37.453 37.453 37.685 -0.232 19840 4789 1 17 . 1 1 54 54 ASN H H 54 8.889 8.889 8.894 -0.005 19840 4790 1 17 . 1 1 55 55 GLY N N 55 107.928 107.928 102.305 5.623 19840 4791 1 17 . 1 1 55 55 GLY CA C 55 46.132 46.132 45.792 0.340 19840 4792 1 17 . 1 1 55 55 GLY H H 55 8.911 8.911 7.987 0.924 19840 4793 1 17 . 1 1 56 56 GLU N N 56 119.227 119.227 120.779 -1.552 19840 4794 1 17 . 1 1 56 56 GLU HA H 56 4.590 4.590 4.798 -0.208 19840 4795 1 17 . 1 1 56 56 GLU CA C 56 55.616 55.616 56.765 -1.149 19840 4796 1 17 . 1 1 56 56 GLU CB C 56 30.193 30.193 30.582 -0.389 19840 4797 1 17 . 1 1 56 56 GLU H H 56 7.646 7.646 7.915 -0.269 19840 4798 1 17 . 1 1 57 57 SER N N 57 109.621 109.621 119.004 -9.383 19840 4799 1 17 . 1 1 57 57 SER HA H 57 2.577 2.577 4.831 -2.254 19840 4800 1 17 . 1 1 57 57 SER CA C 57 57.073 57.073 57.198 -0.125 19840 4801 1 17 . 1 1 57 57 SER CB C 57 64.367 64.367 65.341 -0.974 19840 4802 1 17 . 1 1 57 57 SER H H 57 7.939 7.939 8.546 -0.607 19840 4803 1 17 . 1 1 58 58 VAL N N 58 115.887 115.887 116.887 -1.000 19840 4804 1 17 . 1 1 58 58 VAL HA H 58 5.488 5.488 5.224 0.264 19840 4805 1 17 . 1 1 58 58 VAL CA C 58 57.914 57.914 59.811 -1.897 19840 4806 1 17 . 1 1 58 58 VAL CB C 58 34.794 34.794 34.437 0.357 19840 4807 1 17 . 1 1 58 58 VAL H H 58 7.721 7.721 8.142 -0.421 19840 4808 1 17 . 1 1 59 59 GLN N N 59 126.845 126.845 123.805 3.040 19840 4809 1 17 . 1 1 59 59 GLN HA H 59 4.669 4.669 4.675 -0.006 19840 4810 1 17 . 1 1 59 59 GLN CA C 59 53.560 53.560 53.689 -0.129 19840 4811 1 17 . 1 1 59 59 GLN CB C 59 33.889 33.889 33.284 0.605 19840 4812 1 17 . 1 1 59 59 GLN H H 59 9.107 9.107 8.884 0.223 19840 4813 1 17 . 1 1 60 60 SER N N 60 119.479 119.479 118.637 0.842 19840 4814 1 17 . 1 1 60 60 SER HA H 60 4.768 4.768 4.790 -0.022 19840 4815 1 17 . 1 1 60 60 SER CA C 60 58.438 58.438 57.692 0.746 19840 4816 1 17 . 1 1 60 60 SER CB C 60 63.484 63.484 63.444 0.040 19840 4817 1 17 . 1 1 60 60 SER H H 60 8.959 8.959 8.720 0.239 19840 4818 1 17 . 1 1 61 61 GLY N N 61 113.757 113.757 112.830 0.927 19840 4819 1 17 . 1 1 61 61 GLY CA C 61 44.893 44.893 45.434 -0.541 19840 4820 1 17 . 1 1 61 61 GLY H H 61 8.287 8.287 8.324 -0.037 19840 4821 1 17 . 1 1 62 62 GLY N N 62 108.329 108.329 107.877 0.452 19840 4822 1 17 . 1 1 62 62 GLY CA C 62 43.932 43.932 44.412 -0.480 19840 4823 1 17 . 1 1 62 62 GLY H H 62 7.868 7.868 7.485 0.383 19840 4824 1 17 . 1 1 63 63 ARG N N 63 122.424 122.424 121.707 0.717 19840 4825 1 17 . 1 1 63 63 ARG HA H 63 5.229 5.229 4.836 0.393 19840 4826 1 17 . 1 1 63 63 ARG CA C 63 54.037 54.037 55.111 -1.074 19840 4827 1 17 . 1 1 63 63 ARG CB C 63 31.849 31.849 31.182 0.667 19840 4828 1 17 . 1 1 63 63 ARG H H 63 8.730 8.730 8.094 0.636 19840 4829 1 18 . 1 1 2 2 CYS N N 2 119.737 119.737 118.509 1.228 19840 4830 1 18 . 1 1 2 2 CYS HA H 2 5.082 5.082 5.082 0.000 19840 4831 1 18 . 1 1 2 2 CYS CA C 2 53.264 53.264 57.492 -4.228 19840 4832 1 18 . 1 1 2 2 CYS CB C 2 39.218 39.218 31.497 7.721 19840 4833 1 18 . 1 1 2 2 CYS H H 2 9.003 9.003 9.045 -0.042 19840 4834 1 18 . 1 1 3 3 VAL N N 3 126.716 126.716 120.833 5.883 19840 4835 1 18 . 1 1 3 3 VAL HA H 3 4.177 4.177 4.289 -0.112 19840 4836 1 18 . 1 1 3 3 VAL CA C 3 64.132 64.132 61.117 3.015 19840 4837 1 18 . 1 1 3 3 VAL CB C 3 31.608 31.608 35.407 -3.799 19840 4838 1 18 . 1 1 3 3 VAL H H 3 8.647 8.647 8.567 0.080 19840 4839 1 18 . 1 1 4 4 ALA N N 4 134.327 134.327 127.802 6.525 19840 4840 1 18 . 1 1 4 4 ALA HA H 4 4.773 4.773 4.829 -0.056 19840 4841 1 18 . 1 1 4 4 ALA CA C 4 49.964 49.964 50.178 -0.214 19840 4842 1 18 . 1 1 4 4 ALA CB C 4 22.047 22.047 21.790 0.257 19840 4843 1 18 . 1 1 4 4 ALA H H 4 9.282 9.282 9.087 0.195 19840 4844 1 18 . 1 1 5 5 ASN N N 5 119.560 119.560 120.968 -1.408 19840 4845 1 18 . 1 1 5 5 ASN HA H 5 5.516 5.516 5.394 0.122 19840 4846 1 18 . 1 1 5 5 ASN CA C 5 50.853 50.853 51.828 -0.975 19840 4847 1 18 . 1 1 5 5 ASN CB C 5 40.194 40.194 42.969 -2.775 19840 4848 1 18 . 1 1 5 5 ASN H H 5 8.760 8.760 8.661 0.099 19840 4849 1 18 . 1 1 6 6 ILE N N 6 123.118 123.118 123.294 -0.176 19840 4850 1 18 . 1 1 6 6 ILE HA H 6 4.961 4.961 4.788 0.173 19840 4851 1 18 . 1 1 6 6 ILE CA C 6 57.398 57.398 59.688 -2.289 19840 4852 1 18 . 1 1 6 6 ILE CB C 6 35.561 35.561 38.520 -2.959 19840 4853 1 18 . 1 1 6 6 ILE H H 6 9.093 9.093 8.752 0.341 19840 4854 1 18 . 1 1 7 7 LEU N N 7 128.607 128.607 127.128 1.479 19840 4855 1 18 . 1 1 7 7 LEU HA H 7 5.399 5.399 5.087 0.312 19840 4856 1 18 . 1 1 7 7 LEU CA C 7 52.382 52.382 53.459 -1.077 19840 4857 1 18 . 1 1 7 7 LEU CB C 7 44.218 44.218 44.532 -0.314 19840 4858 1 18 . 1 1 7 7 LEU H H 7 8.896 8.896 8.840 0.056 19840 4859 1 18 . 1 1 8 8 ASN N N 8 114.552 114.552 119.920 -5.368 19840 4860 1 18 . 1 1 8 8 ASN HA H 8 4.847 4.847 4.772 0.075 19840 4861 1 18 . 1 1 8 8 ASN CA C 8 50.359 50.359 51.626 -1.267 19840 4862 1 18 . 1 1 8 8 ASN CB C 8 39.476 39.476 39.148 0.328 19840 4863 1 18 . 1 1 8 8 ASN H H 8 8.341 8.341 8.382 -0.041 19840 4864 1 18 . 1 1 9 9 ILE N N 9 120.261 120.261 118.672 1.589 19840 4865 1 18 . 1 1 9 9 ILE HA H 9 4.013 4.013 4.030 -0.017 19840 4866 1 18 . 1 1 9 9 ILE CA C 9 63.509 63.509 63.504 0.005 19840 4867 1 18 . 1 1 9 9 ILE CB C 9 38.538 38.538 38.102 0.436 19840 4868 1 18 . 1 1 9 9 ILE H H 9 8.713 8.713 8.290 0.423 19840 4869 1 18 . 1 1 10 10 ASN N N 10 117.798 117.798 116.041 1.757 19840 4870 1 18 . 1 1 10 10 ASN HA H 10 4.897 4.897 4.668 0.229 19840 4871 1 18 . 1 1 10 10 ASN CA C 10 52.939 52.939 53.095 -0.156 19840 4872 1 18 . 1 1 10 10 ASN CB C 10 38.741 38.741 38.169 0.572 19840 4873 1 18 . 1 1 10 10 ASN H H 10 7.242 7.242 8.079 -0.837 19840 4874 1 18 . 1 1 11 11 GLU N N 11 112.166 112.166 115.240 -3.074 19840 4875 1 18 . 1 1 11 11 GLU HA H 11 3.548 3.548 3.859 -0.311 19840 4876 1 18 . 1 1 11 11 GLU CA C 11 58.111 58.111 57.602 0.509 19840 4877 1 18 . 1 1 11 11 GLU CB C 11 25.932 25.932 26.933 -1.000 19840 4878 1 18 . 1 1 11 11 GLU H H 11 8.242 8.242 8.059 0.183 19840 4879 1 18 . 1 1 12 12 ALA N N 12 121.641 121.641 121.390 0.251 19840 4880 1 18 . 1 1 12 12 ALA HA H 12 4.502 4.502 4.551 -0.049 19840 4881 1 18 . 1 1 12 12 ALA CA C 12 50.413 50.413 50.881 -0.468 19840 4882 1 18 . 1 1 12 12 ALA CB C 12 19.623 19.623 20.225 -0.602 19840 4883 1 18 . 1 1 12 12 ALA H H 12 7.798 7.798 8.881 -1.083 19840 4884 1 18 . 1 1 13 13 VAL N N 13 121.315 121.315 126.701 -5.386 19840 4885 1 18 . 1 1 13 13 VAL HA H 13 4.076 4.076 4.008 0.068 19840 4886 1 18 . 1 1 13 13 VAL CA C 13 63.484 63.484 64.596 -1.112 19840 4887 1 18 . 1 1 13 13 VAL CB C 13 31.277 31.277 30.425 0.852 19840 4888 1 18 . 1 1 13 13 VAL H H 13 8.512 8.512 8.803 -0.291 19840 4889 1 18 . 1 1 14 14 ILE N N 14 121.921 121.921 123.268 -1.347 19840 4890 1 18 . 1 1 14 14 ILE HA H 14 4.635 4.635 4.521 0.114 19840 4891 1 18 . 1 1 14 14 ILE CA C 14 61.188 61.188 60.927 0.261 19840 4892 1 18 . 1 1 14 14 ILE CB C 14 39.644 39.644 38.757 0.887 19840 4893 1 18 . 1 1 14 14 ILE H H 14 9.293 9.293 9.032 0.261 19840 4894 1 18 . 1 1 15 15 ALA N N 15 123.193 123.193 122.744 0.449 19840 4895 1 18 . 1 1 15 15 ALA HA H 15 4.624 4.624 4.813 -0.189 19840 4896 1 18 . 1 1 15 15 ALA CA C 15 52.546 52.546 51.420 1.126 19840 4897 1 18 . 1 1 15 15 ALA CB C 15 22.693 22.693 22.117 0.576 19840 4898 1 18 . 1 1 15 15 ALA H H 15 7.941 7.941 7.869 0.072 19840 4899 1 18 . 1 1 16 16 THR N N 16 114.723 114.723 111.815 2.908 19840 4900 1 18 . 1 1 16 16 THR HA H 16 5.738 5.738 5.439 0.299 19840 4901 1 18 . 1 1 16 16 THR CA C 16 60.046 60.046 60.157 -0.111 19840 4902 1 18 . 1 1 16 16 THR CB C 16 70.929 70.929 72.266 -1.337 19840 4903 1 18 . 1 1 16 16 THR H H 16 8.582 8.582 8.543 0.039 19840 4904 1 18 . 1 1 17 17 GLY N N 17 111.166 111.166 108.227 2.939 19840 4905 1 18 . 1 1 17 17 GLY CA C 17 45.095 45.095 45.163 -0.067 19840 4906 1 18 . 1 1 17 17 GLY H H 17 8.576 8.576 8.361 0.215 19840 4907 1 18 . 1 1 18 18 CYS N N 18 121.493 121.493 120.645 0.848 19840 4908 1 18 . 1 1 18 18 CYS HA H 18 4.930 4.930 4.991 -0.061 19840 4909 1 18 . 1 1 18 18 CYS CA C 18 53.999 53.999 56.999 -3.000 19840 4910 1 18 . 1 1 18 18 CYS CB C 18 39.899 39.899 27.876 12.023 19840 4911 1 18 . 1 1 18 18 CYS H H 18 8.622 8.622 8.501 0.121 19840 4912 1 18 . 1 1 19 19 VAL N N 19 131.185 131.185 127.181 4.004 19840 4913 1 18 . 1 1 19 19 VAL HA H 19 4.019 4.019 4.612 -0.593 19840 4914 1 18 . 1 1 19 19 VAL CA C 19 59.537 59.537 58.901 0.636 19840 4915 1 18 . 1 1 19 19 VAL CB C 19 33.825 33.825 35.221 -1.395 19840 4916 1 18 . 1 1 19 19 VAL H H 19 9.414 9.414 9.147 0.267 19840 4917 1 18 . 1 1 20 20 PRO HA H 20 4.012 4.012 4.448 -0.436 19840 4918 1 18 . 1 1 20 20 PRO CA C 20 62.492 62.492 62.452 0.040 19840 4919 1 18 . 1 1 20 20 PRO CB C 20 31.931 31.931 32.151 -0.220 19840 4920 1 18 . 1 1 21 21 ALA N N 21 127.518 127.518 121.753 5.765 19840 4921 1 18 . 1 1 21 21 ALA HA H 21 3.907 3.907 4.189 -0.282 19840 4922 1 18 . 1 1 21 21 ALA CA C 21 53.558 53.558 51.801 1.757 19840 4923 1 18 . 1 1 21 21 ALA CB C 21 17.717 17.717 18.656 -0.939 19840 4924 1 18 . 1 1 21 21 ALA H H 21 8.147 8.147 8.227 -0.080 19840 4925 1 18 . 1 1 22 22 GLY N N 22 114.819 114.819 112.614 2.205 19840 4926 1 18 . 1 1 22 22 GLY CA C 22 46.038 46.038 45.150 0.888 19840 4927 1 18 . 1 1 22 22 GLY H H 22 7.292 7.292 8.661 -1.369 19840 4928 1 18 . 1 1 23 23 GLY N N 23 111.300 111.300 107.767 3.533 19840 4929 1 18 . 1 1 23 23 GLY CA C 23 44.366 44.366 44.048 0.318 19840 4930 1 18 . 1 1 23 23 GLY H H 23 8.204 8.204 7.607 0.597 19840 4931 1 18 . 1 1 24 24 GLU N N 24 116.771 116.771 118.050 -1.279 19840 4932 1 18 . 1 1 24 24 GLU HA H 24 5.594 5.594 5.255 0.339 19840 4933 1 18 . 1 1 24 24 GLU CA C 24 53.749 53.749 55.528 -1.779 19840 4934 1 18 . 1 1 24 24 GLU CB C 24 35.193 35.193 33.399 1.794 19840 4935 1 18 . 1 1 24 24 GLU H H 24 8.131 8.131 8.405 -0.274 19840 4936 1 18 . 1 1 25 25 LEU N N 25 121.029 121.029 122.918 -1.889 19840 4937 1 18 . 1 1 25 25 LEU HA H 25 4.465 4.465 4.761 -0.296 19840 4938 1 18 . 1 1 25 25 LEU CA C 25 54.586 54.586 54.384 0.202 19840 4939 1 18 . 1 1 25 25 LEU CB C 25 49.054 49.054 46.547 2.507 19840 4940 1 18 . 1 1 25 25 LEU H H 25 8.899 8.899 8.622 0.277 19840 4941 1 18 . 1 1 26 26 ARG N N 26 128.131 128.131 123.200 4.931 19840 4942 1 18 . 1 1 26 26 ARG HA H 26 4.864 4.864 4.858 0.006 19840 4943 1 18 . 1 1 26 26 ARG CA C 26 55.359 55.359 55.235 0.124 19840 4944 1 18 . 1 1 26 26 ARG CB C 26 29.623 29.623 31.371 -1.748 19840 4945 1 18 . 1 1 26 26 ARG H H 26 8.604 8.604 8.495 0.109 19840 4946 1 18 . 1 1 27 27 ILE N N 27 129.246 129.246 125.767 3.479 19840 4947 1 18 . 1 1 27 27 ILE HA H 27 4.202 4.202 3.927 0.275 19840 4948 1 18 . 1 1 27 27 ILE CA C 27 60.765 60.765 59.775 0.990 19840 4949 1 18 . 1 1 27 27 ILE CB C 27 40.383 40.383 40.943 -0.560 19840 4950 1 18 . 1 1 27 27 ILE H H 27 9.029 9.029 8.589 0.440 19840 4951 1 18 . 1 1 28 28 PHE N N 28 127.383 127.383 124.242 3.141 19840 4952 1 18 . 1 1 28 28 PHE HA H 28 3.968 3.968 4.785 -0.817 19840 4953 1 18 . 1 1 28 28 PHE CA C 28 58.921 58.921 56.306 2.615 19840 4954 1 18 . 1 1 28 28 PHE CB C 28 39.444 39.444 38.612 0.832 19840 4955 1 18 . 1 1 28 28 PHE H H 28 8.885 8.885 8.072 0.813 19840 4956 1 18 . 1 1 29 29 VAL N N 29 124.164 124.164 125.656 -1.492 19840 4957 1 18 . 1 1 29 29 VAL HA H 29 3.887 3.887 4.328 -0.441 19840 4958 1 18 . 1 1 29 29 VAL CA C 29 61.099 61.099 60.756 0.343 19840 4959 1 18 . 1 1 29 29 VAL CB C 29 30.194 30.194 31.021 -0.827 19840 4960 1 18 . 1 1 29 29 VAL H H 29 8.396 8.396 8.294 0.102 19840 4961 1 18 . 1 1 30 30 GLY N N 30 113.336 113.336 114.566 -1.230 19840 4962 1 18 . 1 1 30 30 GLY CA C 30 46.252 46.252 44.742 1.510 19840 4963 1 18 . 1 1 30 30 GLY H H 30 8.376 8.376 7.797 0.579 19840 4964 1 18 . 1 1 31 31 SER H H 31 8.290 8.290 8.624 -0.334 19840 4965 1 18 . 1 1 32 32 SER N N 32 114.602 114.602 112.691 1.911 19840 4966 1 18 . 1 1 32 32 SER HA H 32 4.572 4.572 4.463 0.109 19840 4967 1 18 . 1 1 32 32 SER CA C 32 59.632 59.632 57.980 1.652 19840 4968 1 18 . 1 1 32 32 SER CB C 32 64.882 64.882 63.325 1.557 19840 4969 1 18 . 1 1 32 32 SER H H 32 8.344 8.344 8.440 -0.096 19840 4970 1 18 . 1 1 33 33 HIS N N 33 114.790 114.790 121.480 -6.690 19840 4971 1 18 . 1 1 33 33 HIS HA H 33 4.881 4.881 4.745 0.136 19840 4972 1 18 . 1 1 33 33 HIS CA C 33 55.139 55.139 54.777 0.362 19840 4973 1 18 . 1 1 33 33 HIS CB C 33 29.454 29.454 29.586 -0.132 19840 4974 1 18 . 1 1 33 33 HIS H H 33 7.586 7.586 8.218 -0.632 19840 4975 1 18 . 1 1 34 34 SER N N 34 112.452 112.452 119.537 -7.085 19840 4976 1 18 . 1 1 34 34 SER HA H 34 4.651 4.651 5.263 -0.612 19840 4977 1 18 . 1 1 34 34 SER CA C 34 56.296 56.296 57.101 -0.805 19840 4978 1 18 . 1 1 34 34 SER CB C 34 66.406 66.406 65.611 0.795 19840 4979 1 18 . 1 1 34 34 SER H H 34 8.169 8.169 8.199 -0.030 19840 4980 1 18 . 1 1 35 35 TYR N N 35 116.118 116.118 119.408 -3.290 19840 4981 1 18 . 1 1 35 35 TYR HA H 35 5.047 5.047 4.738 0.309 19840 4982 1 18 . 1 1 35 35 TYR CA C 35 55.601 55.601 57.510 -1.909 19840 4983 1 18 . 1 1 35 35 TYR CB C 35 43.070 43.070 42.471 0.599 19840 4984 1 18 . 1 1 35 35 TYR H H 35 8.493 8.493 8.788 -0.295 19840 4985 1 18 . 1 1 36 36 LEU N N 36 125.430 125.430 125.592 -0.162 19840 4986 1 18 . 1 1 36 36 LEU HA H 36 4.565 4.565 4.720 -0.155 19840 4987 1 18 . 1 1 36 36 LEU CA C 36 53.796 53.796 54.731 -0.935 19840 4988 1 18 . 1 1 36 36 LEU CB C 36 41.810 41.810 43.494 -1.684 19840 4989 1 18 . 1 1 36 36 LEU H H 36 8.476 8.476 8.968 -0.492 19840 4990 1 18 . 1 1 37 37 ILE N N 37 129.763 129.763 126.873 2.890 19840 4991 1 18 . 1 1 37 37 ILE HA H 37 4.607 4.607 4.600 0.007 19840 4992 1 18 . 1 1 37 37 ILE CA C 37 57.337 57.337 58.812 -1.475 19840 4993 1 18 . 1 1 37 37 ILE CB C 37 37.601 37.601 38.847 -1.246 19840 4994 1 18 . 1 1 37 37 ILE H H 37 8.512 8.512 9.181 -0.669 19840 4995 1 18 . 1 1 38 38 LYS N N 38 125.927 125.927 128.074 -2.147 19840 4996 1 18 . 1 1 38 38 LYS HA H 38 4.958 4.958 4.730 0.228 19840 4997 1 18 . 1 1 38 38 LYS CA C 38 54.054 54.054 54.965 -0.911 19840 4998 1 18 . 1 1 38 38 LYS CB C 38 34.807 34.807 34.830 -0.023 19840 4999 1 18 . 1 1 38 38 LYS H H 38 8.849 8.849 9.037 -0.188 19840 5000 1 18 . 1 1 39 39 ALA N N 39 124.260 124.260 131.973 -7.713 19840 5001 1 18 . 1 1 39 39 ALA HA H 39 5.671 5.671 5.054 0.617 19840 5002 1 18 . 1 1 39 39 ALA CA C 39 49.202 49.202 50.217 -1.015 19840 5003 1 18 . 1 1 39 39 ALA CB C 39 23.170 23.170 20.604 2.566 19840 5004 1 18 . 1 1 39 39 ALA H H 39 8.498 8.498 9.142 -0.644 19840 5005 1 18 . 1 1 40 40 THR N N 40 112.492 112.492 120.705 -8.213 19840 5006 1 18 . 1 1 40 40 THR HA H 40 4.651 4.651 4.437 0.214 19840 5007 1 18 . 1 1 40 40 THR CA C 40 60.482 60.482 61.728 -1.246 19840 5008 1 18 . 1 1 40 40 THR CB C 40 71.335 71.335 70.134 1.201 19840 5009 1 18 . 1 1 40 40 THR H H 40 8.996 8.996 8.372 0.624 19840 5010 1 18 . 1 1 41 41 SER H H 41 8.288 8.288 8.758 -0.470 19840 5011 1 18 . 1 1 42 42 SER N N 42 113.261 113.261 115.086 -1.825 19840 5012 1 18 . 1 1 42 42 SER HA H 42 4.636 4.636 4.572 0.064 19840 5013 1 18 . 1 1 42 42 SER CA C 42 57.101 57.101 57.802 -0.701 19840 5014 1 18 . 1 1 42 42 SER CB C 42 62.842 62.842 63.110 -0.268 19840 5015 1 18 . 1 1 42 42 SER H H 42 7.629 7.629 7.746 -0.117 19840 5016 1 18 . 1 1 43 43 CYS N N 43 111.527 111.527 119.274 -7.747 19840 5017 1 18 . 1 1 43 43 CYS HA H 43 4.311 4.311 4.154 0.157 19840 5018 1 18 . 1 1 43 43 CYS CA C 43 54.093 54.093 59.162 -5.069 19840 5019 1 18 . 1 1 43 43 CYS CB C 43 32.030 32.030 25.607 6.423 19840 5020 1 18 . 1 1 43 43 CYS H H 43 8.008 8.008 8.181 -0.173 19840 5021 1 18 . 1 1 44 44 GLY N N 44 107.262 107.262 108.308 -1.046 19840 5022 1 18 . 1 1 44 44 GLY CA C 44 45.585 45.585 44.321 1.264 19840 5023 1 18 . 1 1 44 44 GLY H H 44 8.222 8.222 8.217 0.005 19840 5024 1 18 . 1 1 45 45 LEU N N 45 127.185 127.185 126.463 0.722 19840 5025 1 18 . 1 1 45 45 LEU HA H 45 5.586 5.586 5.112 0.474 19840 5026 1 18 . 1 1 45 45 LEU CA C 45 53.741 53.741 54.756 -1.015 19840 5027 1 18 . 1 1 45 45 LEU CB C 45 44.311 44.311 43.071 1.240 19840 5028 1 18 . 1 1 45 45 LEU H H 45 8.684 8.684 8.474 0.210 19840 5029 1 18 . 1 1 46 46 SER N N 46 114.241 114.241 116.872 -2.631 19840 5030 1 18 . 1 1 46 46 SER HA H 46 4.595 4.595 4.513 0.082 19840 5031 1 18 . 1 1 46 46 SER CA C 46 57.466 57.466 58.053 -0.587 19840 5032 1 18 . 1 1 46 46 SER CB C 46 65.844 65.844 64.710 1.134 19840 5033 1 18 . 1 1 46 46 SER H H 46 8.856 8.856 8.003 0.853 19840 5034 1 18 . 1 1 47 47 LEU N N 47 120.302 120.302 125.267 -4.965 19840 5035 1 18 . 1 1 47 47 LEU HA H 47 4.756 4.756 4.850 -0.094 19840 5036 1 18 . 1 1 47 47 LEU CA C 47 53.725 53.725 55.773 -2.048 19840 5037 1 18 . 1 1 47 47 LEU CB C 47 43.078 43.078 43.249 -0.171 19840 5038 1 18 . 1 1 47 47 LEU H H 47 8.482 8.482 8.492 -0.010 19840 5039 1 18 . 1 1 48 48 THR N N 48 119.533 119.533 113.548 5.985 19840 5040 1 18 . 1 1 48 48 THR HA H 48 4.211 4.211 4.438 -0.227 19840 5041 1 18 . 1 1 48 48 THR CA C 48 63.095 63.095 61.319 1.776 19840 5042 1 18 . 1 1 48 48 THR CB C 48 69.170 69.170 68.395 0.775 19840 5043 1 18 . 1 1 48 48 THR H H 48 8.472 8.472 8.581 -0.109 19840 5044 1 18 . 1 1 49 49 ASN N N 49 120.348 120.348 122.721 -2.373 19840 5045 1 18 . 1 1 49 49 ASN HA H 49 4.511 4.511 4.438 0.073 19840 5046 1 18 . 1 1 49 49 ASN CA C 49 53.577 53.577 54.882 -1.304 19840 5047 1 18 . 1 1 49 49 ASN CB C 49 37.381 37.381 38.289 -0.908 19840 5048 1 18 . 1 1 49 49 ASN H H 49 8.967 8.967 8.885 0.082 19840 5049 1 18 . 1 1 50 50 GLN N N 50 114.907 114.907 116.145 -1.238 19840 5050 1 18 . 1 1 50 50 GLN HA H 50 4.672 4.672 4.489 0.183 19840 5051 1 18 . 1 1 50 50 GLN CA C 50 54.515 54.515 54.947 -0.432 19840 5052 1 18 . 1 1 50 50 GLN CB C 50 34.947 34.947 32.318 2.629 19840 5053 1 18 . 1 1 50 50 GLN H H 50 7.207 7.207 8.043 -0.836 19840 5054 1 18 . 1 1 51 51 VAL N N 51 112.350 112.350 113.863 -1.513 19840 5055 1 18 . 1 1 51 51 VAL HA H 51 4.430 4.430 4.671 -0.241 19840 5056 1 18 . 1 1 51 51 VAL CA C 51 59.441 59.441 59.442 -0.001 19840 5057 1 18 . 1 1 51 51 VAL CB C 51 34.108 34.108 34.464 -0.356 19840 5058 1 18 . 1 1 51 51 VAL H H 51 7.575 7.575 8.106 -0.531 19840 5059 1 18 . 1 1 52 52 PHE N N 52 119.853 119.853 118.473 1.380 19840 5060 1 18 . 1 1 52 52 PHE HA H 52 4.422 4.422 5.126 -0.704 19840 5061 1 18 . 1 1 52 52 PHE CA C 52 60.310 60.310 55.958 4.352 19840 5062 1 18 . 1 1 52 52 PHE CB C 52 40.650 40.650 40.773 -0.123 19840 5063 1 18 . 1 1 52 52 PHE H H 52 8.221 8.221 8.077 0.144 19840 5064 1 18 . 1 1 53 53 ILE N N 53 116.505 116.505 113.323 3.182 19840 5065 1 18 . 1 1 53 53 ILE HA H 53 4.688 4.688 4.293 0.395 19840 5066 1 18 . 1 1 53 53 ILE CA C 53 59.582 59.582 60.779 -1.197 19840 5067 1 18 . 1 1 53 53 ILE CB C 53 41.131 41.131 41.034 0.097 19840 5068 1 18 . 1 1 53 53 ILE H H 53 8.436 8.436 8.497 -0.061 19840 5069 1 18 . 1 1 54 54 ASN N N 54 113.329 113.329 121.891 -8.562 19840 5070 1 18 . 1 1 54 54 ASN HA H 54 4.351 4.351 4.452 -0.101 19840 5071 1 18 . 1 1 54 54 ASN CA C 54 54.129 54.129 54.425 -0.295 19840 5072 1 18 . 1 1 54 54 ASN CB C 54 37.453 37.453 37.999 -0.546 19840 5073 1 18 . 1 1 54 54 ASN H H 54 8.889 8.889 9.359 -0.470 19840 5074 1 18 . 1 1 55 55 GLY N N 55 107.928 107.928 100.935 6.993 19840 5075 1 18 . 1 1 55 55 GLY CA C 55 46.132 46.132 45.640 0.492 19840 5076 1 18 . 1 1 55 55 GLY H H 55 8.911 8.911 8.732 0.179 19840 5077 1 18 . 1 1 56 56 GLU N N 56 119.227 119.227 120.254 -1.027 19840 5078 1 18 . 1 1 56 56 GLU HA H 56 4.590 4.590 4.869 -0.279 19840 5079 1 18 . 1 1 56 56 GLU CA C 56 55.616 55.616 55.430 0.186 19840 5080 1 18 . 1 1 56 56 GLU CB C 56 30.193 30.193 30.611 -0.418 19840 5081 1 18 . 1 1 56 56 GLU H H 56 7.646 7.646 7.855 -0.209 19840 5082 1 18 . 1 1 57 57 SER N N 57 109.621 109.621 117.999 -8.378 19840 5083 1 18 . 1 1 57 57 SER HA H 57 2.577 2.577 4.814 -2.237 19840 5084 1 18 . 1 1 57 57 SER CA C 57 57.073 57.073 57.014 0.059 19840 5085 1 18 . 1 1 57 57 SER CB C 57 64.367 64.367 65.950 -1.583 19840 5086 1 18 . 1 1 57 57 SER H H 57 7.939 7.939 8.730 -0.791 19840 5087 1 18 . 1 1 58 58 VAL N N 58 115.887 115.887 119.166 -3.279 19840 5088 1 18 . 1 1 58 58 VAL HA H 58 5.488 5.488 4.953 0.535 19840 5089 1 18 . 1 1 58 58 VAL CA C 58 57.914 57.914 60.517 -2.603 19840 5090 1 18 . 1 1 58 58 VAL CB C 58 34.794 34.794 35.007 -0.213 19840 5091 1 18 . 1 1 58 58 VAL H H 58 7.721 7.721 8.294 -0.573 19840 5092 1 18 . 1 1 59 59 GLN N N 59 126.845 126.845 122.413 4.432 19840 5093 1 18 . 1 1 59 59 GLN HA H 59 4.669 4.669 4.626 0.043 19840 5094 1 18 . 1 1 59 59 GLN CA C 59 53.560 53.560 53.754 -0.194 19840 5095 1 18 . 1 1 59 59 GLN CB C 59 33.889 33.889 33.825 0.064 19840 5096 1 18 . 1 1 59 59 GLN H H 59 9.107 9.107 9.009 0.098 19840 5097 1 18 . 1 1 60 60 SER N N 60 119.479 119.479 117.256 2.223 19840 5098 1 18 . 1 1 60 60 SER HA H 60 4.768 4.768 4.971 -0.203 19840 5099 1 18 . 1 1 60 60 SER CA C 60 58.438 58.438 57.595 0.843 19840 5100 1 18 . 1 1 60 60 SER CB C 60 63.484 63.484 63.416 0.068 19840 5101 1 18 . 1 1 60 60 SER H H 60 8.959 8.959 8.599 0.360 19840 5102 1 18 . 1 1 61 61 GLY N N 61 113.757 113.757 112.778 0.979 19840 5103 1 18 . 1 1 61 61 GLY CA C 61 44.893 44.893 45.489 -0.596 19840 5104 1 18 . 1 1 61 61 GLY H H 61 8.287 8.287 8.432 -0.145 19840 5105 1 18 . 1 1 62 62 GLY N N 62 108.329 108.329 107.664 0.665 19840 5106 1 18 . 1 1 62 62 GLY CA C 62 43.932 43.932 44.406 -0.474 19840 5107 1 18 . 1 1 62 62 GLY H H 62 7.868 7.868 7.439 0.429 19840 5108 1 18 . 1 1 63 63 ARG N N 63 122.424 122.424 120.814 1.610 19840 5109 1 18 . 1 1 63 63 ARG HA H 63 5.229 5.229 4.673 0.556 19840 5110 1 18 . 1 1 63 63 ARG CA C 63 54.037 54.037 55.028 -0.991 19840 5111 1 18 . 1 1 63 63 ARG CB C 63 31.849 31.849 30.981 0.868 19840 5112 1 18 . 1 1 63 63 ARG H H 63 8.730 8.730 8.118 0.612 19840 5113 1 19 . 1 1 2 2 CYS N N 2 119.737 119.737 116.726 3.011 19840 5114 1 19 . 1 1 2 2 CYS HA H 2 5.082 5.082 5.382 -0.300 19840 5115 1 19 . 1 1 2 2 CYS CA C 2 53.264 53.264 57.763 -4.499 19840 5116 1 19 . 1 1 2 2 CYS CB C 2 39.218 39.218 32.294 6.924 19840 5117 1 19 . 1 1 2 2 CYS H H 2 9.003 9.003 9.016 -0.013 19840 5118 1 19 . 1 1 3 3 VAL N N 3 126.716 126.716 119.324 7.392 19840 5119 1 19 . 1 1 3 3 VAL HA H 3 4.177 4.177 4.599 -0.422 19840 5120 1 19 . 1 1 3 3 VAL CA C 3 64.132 64.132 60.651 3.481 19840 5121 1 19 . 1 1 3 3 VAL CB C 3 31.608 31.608 34.687 -3.079 19840 5122 1 19 . 1 1 3 3 VAL H H 3 8.647 8.647 8.577 0.070 19840 5123 1 19 . 1 1 4 4 ALA N N 4 134.327 134.327 129.773 4.554 19840 5124 1 19 . 1 1 4 4 ALA HA H 4 4.773 4.773 4.672 0.101 19840 5125 1 19 . 1 1 4 4 ALA CA C 4 49.964 49.964 50.485 -0.521 19840 5126 1 19 . 1 1 4 4 ALA CB C 4 22.047 22.047 21.948 0.099 19840 5127 1 19 . 1 1 4 4 ALA H H 4 9.282 9.282 9.179 0.103 19840 5128 1 19 . 1 1 5 5 ASN N N 5 119.560 119.560 120.558 -0.998 19840 5129 1 19 . 1 1 5 5 ASN HA H 5 5.516 5.516 5.424 0.092 19840 5130 1 19 . 1 1 5 5 ASN CA C 5 50.853 50.853 51.783 -0.930 19840 5131 1 19 . 1 1 5 5 ASN CB C 5 40.194 40.194 43.008 -2.814 19840 5132 1 19 . 1 1 5 5 ASN H H 5 8.760 8.760 8.648 0.112 19840 5133 1 19 . 1 1 6 6 ILE N N 6 123.118 123.118 122.559 0.559 19840 5134 1 19 . 1 1 6 6 ILE HA H 6 4.961 4.961 5.065 -0.104 19840 5135 1 19 . 1 1 6 6 ILE CA C 6 57.398 57.398 59.452 -2.054 19840 5136 1 19 . 1 1 6 6 ILE CB C 6 35.561 35.561 39.211 -3.650 19840 5137 1 19 . 1 1 6 6 ILE H H 6 9.093 9.093 8.927 0.166 19840 5138 1 19 . 1 1 7 7 LEU N N 7 128.607 128.607 126.696 1.911 19840 5139 1 19 . 1 1 7 7 LEU HA H 7 5.399 5.399 5.128 0.271 19840 5140 1 19 . 1 1 7 7 LEU CA C 7 52.382 52.382 53.493 -1.111 19840 5141 1 19 . 1 1 7 7 LEU CB C 7 44.218 44.218 44.451 -0.233 19840 5142 1 19 . 1 1 7 7 LEU H H 7 8.896 8.896 9.084 -0.188 19840 5143 1 19 . 1 1 8 8 ASN N N 8 114.552 114.552 119.483 -4.931 19840 5144 1 19 . 1 1 8 8 ASN HA H 8 4.847 4.847 4.935 -0.088 19840 5145 1 19 . 1 1 8 8 ASN CA C 8 50.359 50.359 51.413 -1.054 19840 5146 1 19 . 1 1 8 8 ASN CB C 8 39.476 39.476 39.224 0.252 19840 5147 1 19 . 1 1 8 8 ASN H H 8 8.341 8.341 8.435 -0.094 19840 5148 1 19 . 1 1 9 9 ILE N N 9 120.261 120.261 118.014 2.247 19840 5149 1 19 . 1 1 9 9 ILE HA H 9 4.013 4.013 3.885 0.128 19840 5150 1 19 . 1 1 9 9 ILE CA C 9 63.509 63.509 63.015 0.494 19840 5151 1 19 . 1 1 9 9 ILE CB C 9 38.538 38.538 36.884 1.654 19840 5152 1 19 . 1 1 9 9 ILE H H 9 8.713 8.713 8.775 -0.062 19840 5153 1 19 . 1 1 10 10 ASN N N 10 117.798 117.798 116.042 1.756 19840 5154 1 19 . 1 1 10 10 ASN HA H 10 4.897 4.897 4.734 0.163 19840 5155 1 19 . 1 1 10 10 ASN CA C 10 52.939 52.939 52.652 0.287 19840 5156 1 19 . 1 1 10 10 ASN CB C 10 38.741 38.741 38.781 -0.040 19840 5157 1 19 . 1 1 10 10 ASN H H 10 7.242 7.242 8.195 -0.953 19840 5158 1 19 . 1 1 11 11 GLU N N 11 112.166 112.166 114.087 -1.921 19840 5159 1 19 . 1 1 11 11 GLU HA H 11 3.548 3.548 3.868 -0.320 19840 5160 1 19 . 1 1 11 11 GLU CA C 11 58.111 58.111 57.689 0.422 19840 5161 1 19 . 1 1 11 11 GLU CB C 11 25.932 25.932 26.773 -0.841 19840 5162 1 19 . 1 1 11 11 GLU H H 11 8.242 8.242 8.111 0.131 19840 5163 1 19 . 1 1 12 12 ALA N N 12 121.641 121.641 121.086 0.555 19840 5164 1 19 . 1 1 12 12 ALA HA H 12 4.502 4.502 4.577 -0.075 19840 5165 1 19 . 1 1 12 12 ALA CA C 12 50.413 50.413 50.878 -0.465 19840 5166 1 19 . 1 1 12 12 ALA CB C 12 19.623 19.623 20.627 -1.004 19840 5167 1 19 . 1 1 12 12 ALA H H 12 7.798 7.798 8.720 -0.922 19840 5168 1 19 . 1 1 13 13 VAL N N 13 121.315 121.315 126.031 -4.716 19840 5169 1 19 . 1 1 13 13 VAL HA H 13 4.076 4.076 3.974 0.102 19840 5170 1 19 . 1 1 13 13 VAL CA C 13 63.484 63.484 64.458 -0.974 19840 5171 1 19 . 1 1 13 13 VAL CB C 13 31.277 31.277 31.299 -0.022 19840 5172 1 19 . 1 1 13 13 VAL H H 13 8.512 8.512 8.771 -0.259 19840 5173 1 19 . 1 1 14 14 ILE N N 14 121.921 121.921 123.909 -1.988 19840 5174 1 19 . 1 1 14 14 ILE HA H 14 4.635 4.635 4.546 0.089 19840 5175 1 19 . 1 1 14 14 ILE CA C 14 61.188 61.188 60.719 0.469 19840 5176 1 19 . 1 1 14 14 ILE CB C 14 39.644 39.644 38.660 0.984 19840 5177 1 19 . 1 1 14 14 ILE H H 14 9.293 9.293 9.091 0.202 19840 5178 1 19 . 1 1 15 15 ALA N N 15 123.193 123.193 121.999 1.194 19840 5179 1 19 . 1 1 15 15 ALA HA H 15 4.624 4.624 4.897 -0.273 19840 5180 1 19 . 1 1 15 15 ALA CA C 15 52.546 52.546 51.410 1.136 19840 5181 1 19 . 1 1 15 15 ALA CB C 15 22.693 22.693 22.323 0.370 19840 5182 1 19 . 1 1 15 15 ALA H H 15 7.941 7.941 7.782 0.159 19840 5183 1 19 . 1 1 16 16 THR N N 16 114.723 114.723 114.861 -0.138 19840 5184 1 19 . 1 1 16 16 THR HA H 16 5.738 5.738 5.412 0.326 19840 5185 1 19 . 1 1 16 16 THR CA C 16 60.046 60.046 60.977 -0.931 19840 5186 1 19 . 1 1 16 16 THR CB C 16 70.929 70.929 71.141 -0.212 19840 5187 1 19 . 1 1 16 16 THR H H 16 8.582 8.582 8.676 -0.094 19840 5188 1 19 . 1 1 17 17 GLY N N 17 111.166 111.166 110.759 0.407 19840 5189 1 19 . 1 1 17 17 GLY CA C 17 45.095 45.095 45.057 0.038 19840 5190 1 19 . 1 1 17 17 GLY H H 17 8.576 8.576 8.236 0.340 19840 5191 1 19 . 1 1 18 18 CYS N N 18 121.493 121.493 120.875 0.618 19840 5192 1 19 . 1 1 18 18 CYS HA H 18 4.930 4.930 4.899 0.031 19840 5193 1 19 . 1 1 18 18 CYS CA C 18 53.999 53.999 57.686 -3.687 19840 5194 1 19 . 1 1 18 18 CYS CB C 18 39.899 39.899 27.230 12.669 19840 5195 1 19 . 1 1 18 18 CYS H H 18 8.622 8.622 8.564 0.058 19840 5196 1 19 . 1 1 19 19 VAL N N 19 131.185 131.185 128.741 2.444 19840 5197 1 19 . 1 1 19 19 VAL HA H 19 4.019 4.019 4.575 -0.556 19840 5198 1 19 . 1 1 19 19 VAL CA C 19 59.537 59.537 59.230 0.307 19840 5199 1 19 . 1 1 19 19 VAL CB C 19 33.825 33.825 34.847 -1.022 19840 5200 1 19 . 1 1 19 19 VAL H H 19 9.414 9.414 8.971 0.443 19840 5201 1 19 . 1 1 20 20 PRO HA H 20 4.012 4.012 4.566 -0.554 19840 5202 1 19 . 1 1 20 20 PRO CA C 20 62.492 62.492 62.475 0.017 19840 5203 1 19 . 1 1 20 20 PRO CB C 20 31.931 31.931 32.132 -0.201 19840 5204 1 19 . 1 1 21 21 ALA N N 21 127.518 127.518 121.327 6.191 19840 5205 1 19 . 1 1 21 21 ALA HA H 21 3.907 3.907 4.177 -0.270 19840 5206 1 19 . 1 1 21 21 ALA CA C 21 53.558 53.558 51.672 1.886 19840 5207 1 19 . 1 1 21 21 ALA CB C 21 17.717 17.717 18.788 -1.071 19840 5208 1 19 . 1 1 21 21 ALA H H 21 8.147 8.147 8.106 0.041 19840 5209 1 19 . 1 1 22 22 GLY N N 22 114.819 114.819 113.489 1.330 19840 5210 1 19 . 1 1 22 22 GLY CA C 22 46.038 46.038 45.406 0.632 19840 5211 1 19 . 1 1 22 22 GLY H H 22 7.292 7.292 8.264 -0.972 19840 5212 1 19 . 1 1 23 23 GLY N N 23 111.300 111.300 106.997 4.303 19840 5213 1 19 . 1 1 23 23 GLY CA C 23 44.366 44.366 44.181 0.185 19840 5214 1 19 . 1 1 23 23 GLY H H 23 8.204 8.204 7.495 0.709 19840 5215 1 19 . 1 1 24 24 GLU N N 24 116.771 116.771 117.904 -1.133 19840 5216 1 19 . 1 1 24 24 GLU HA H 24 5.594 5.594 5.332 0.262 19840 5217 1 19 . 1 1 24 24 GLU CA C 24 53.749 53.749 54.853 -1.104 19840 5218 1 19 . 1 1 24 24 GLU CB C 24 35.193 35.193 33.187 2.006 19840 5219 1 19 . 1 1 24 24 GLU H H 24 8.131 8.131 8.379 -0.248 19840 5220 1 19 . 1 1 25 25 LEU N N 25 121.029 121.029 119.721 1.308 19840 5221 1 19 . 1 1 25 25 LEU HA H 25 4.465 4.465 4.527 -0.062 19840 5222 1 19 . 1 1 25 25 LEU CA C 25 54.586 54.586 55.320 -0.734 19840 5223 1 19 . 1 1 25 25 LEU CB C 25 49.054 49.054 46.615 2.439 19840 5224 1 19 . 1 1 25 25 LEU H H 25 8.899 8.899 8.596 0.303 19840 5225 1 19 . 1 1 26 26 ARG N N 26 128.131 128.131 124.604 3.527 19840 5226 1 19 . 1 1 26 26 ARG HA H 26 4.864 4.864 4.685 0.179 19840 5227 1 19 . 1 1 26 26 ARG CA C 26 55.359 55.359 55.324 0.035 19840 5228 1 19 . 1 1 26 26 ARG CB C 26 29.623 29.623 30.834 -1.211 19840 5229 1 19 . 1 1 26 26 ARG H H 26 8.604 8.604 8.445 0.159 19840 5230 1 19 . 1 1 27 27 ILE N N 27 129.246 129.246 126.299 2.947 19840 5231 1 19 . 1 1 27 27 ILE HA H 27 4.202 4.202 3.918 0.284 19840 5232 1 19 . 1 1 27 27 ILE CA C 27 60.765 60.765 59.893 0.872 19840 5233 1 19 . 1 1 27 27 ILE CB C 27 40.383 40.383 40.516 -0.133 19840 5234 1 19 . 1 1 27 27 ILE H H 27 9.029 9.029 8.511 0.518 19840 5235 1 19 . 1 1 28 28 PHE N N 28 127.383 127.383 124.089 3.294 19840 5236 1 19 . 1 1 28 28 PHE HA H 28 3.968 3.968 4.842 -0.874 19840 5237 1 19 . 1 1 28 28 PHE CA C 28 58.921 58.921 57.108 1.813 19840 5238 1 19 . 1 1 28 28 PHE CB C 28 39.444 39.444 38.762 0.682 19840 5239 1 19 . 1 1 28 28 PHE H H 28 8.885 8.885 8.333 0.552 19840 5240 1 19 . 1 1 29 29 VAL N N 29 124.164 124.164 126.005 -1.841 19840 5241 1 19 . 1 1 29 29 VAL HA H 29 3.887 3.887 4.325 -0.438 19840 5242 1 19 . 1 1 29 29 VAL CA C 29 61.099 61.099 60.366 0.733 19840 5243 1 19 . 1 1 29 29 VAL CB C 29 30.194 30.194 30.848 -0.654 19840 5244 1 19 . 1 1 29 29 VAL H H 29 8.396 8.396 8.460 -0.064 19840 5245 1 19 . 1 1 30 30 GLY N N 30 113.336 113.336 112.726 0.610 19840 5246 1 19 . 1 1 30 30 GLY CA C 30 46.252 46.252 45.201 1.051 19840 5247 1 19 . 1 1 30 30 GLY H H 30 8.376 8.376 8.003 0.373 19840 5248 1 19 . 1 1 31 31 SER H H 31 8.290 8.290 8.668 -0.378 19840 5249 1 19 . 1 1 32 32 SER N N 32 114.602 114.602 117.194 -2.592 19840 5250 1 19 . 1 1 32 32 SER HA H 32 4.572 4.572 4.384 0.188 19840 5251 1 19 . 1 1 32 32 SER CA C 32 59.632 59.632 59.752 -0.120 19840 5252 1 19 . 1 1 32 32 SER CB C 32 64.882 64.882 63.985 0.897 19840 5253 1 19 . 1 1 32 32 SER H H 32 8.344 8.344 8.361 -0.017 19840 5254 1 19 . 1 1 33 33 HIS N N 33 114.790 114.790 120.460 -5.670 19840 5255 1 19 . 1 1 33 33 HIS HA H 33 4.881 4.881 4.657 0.224 19840 5256 1 19 . 1 1 33 33 HIS CA C 33 55.139 55.139 56.363 -1.224 19840 5257 1 19 . 1 1 33 33 HIS CB C 33 29.454 29.454 31.219 -1.765 19840 5258 1 19 . 1 1 33 33 HIS H H 33 7.586 7.586 7.829 -0.243 19840 5259 1 19 . 1 1 34 34 SER N N 34 112.452 112.452 115.069 -2.617 19840 5260 1 19 . 1 1 34 34 SER HA H 34 4.651 4.651 5.034 -0.383 19840 5261 1 19 . 1 1 34 34 SER CA C 34 56.296 56.296 57.496 -1.200 19840 5262 1 19 . 1 1 34 34 SER CB C 34 66.406 66.406 66.066 0.340 19840 5263 1 19 . 1 1 34 34 SER H H 34 8.169 8.169 8.170 -0.001 19840 5264 1 19 . 1 1 35 35 TYR N N 35 116.118 116.118 119.254 -3.136 19840 5265 1 19 . 1 1 35 35 TYR HA H 35 5.047 5.047 4.797 0.250 19840 5266 1 19 . 1 1 35 35 TYR CA C 35 55.601 55.601 57.438 -1.837 19840 5267 1 19 . 1 1 35 35 TYR CB C 35 43.070 43.070 42.450 0.620 19840 5268 1 19 . 1 1 35 35 TYR H H 35 8.493 8.493 8.678 -0.185 19840 5269 1 19 . 1 1 36 36 LEU N N 36 125.430 125.430 124.293 1.137 19840 5270 1 19 . 1 1 36 36 LEU HA H 36 4.565 4.565 4.776 -0.211 19840 5271 1 19 . 1 1 36 36 LEU CA C 36 53.796 53.796 54.827 -1.031 19840 5272 1 19 . 1 1 36 36 LEU CB C 36 41.810 41.810 43.282 -1.472 19840 5273 1 19 . 1 1 36 36 LEU H H 36 8.476 8.476 9.126 -0.650 19840 5274 1 19 . 1 1 37 37 ILE N N 37 129.763 129.763 125.004 4.759 19840 5275 1 19 . 1 1 37 37 ILE HA H 37 4.607 4.607 4.390 0.217 19840 5276 1 19 . 1 1 37 37 ILE CA C 37 57.337 57.337 59.262 -1.925 19840 5277 1 19 . 1 1 37 37 ILE CB C 37 37.601 37.601 40.095 -2.494 19840 5278 1 19 . 1 1 37 37 ILE H H 37 8.512 8.512 9.015 -0.503 19840 5279 1 19 . 1 1 38 38 LYS N N 38 125.927 125.927 127.103 -1.176 19840 5280 1 19 . 1 1 38 38 LYS HA H 38 4.958 4.958 4.997 -0.039 19840 5281 1 19 . 1 1 38 38 LYS CA C 38 54.054 54.054 54.217 -0.163 19840 5282 1 19 . 1 1 38 38 LYS CB C 38 34.807 34.807 35.983 -1.176 19840 5283 1 19 . 1 1 38 38 LYS H H 38 8.849 8.849 8.996 -0.147 19840 5284 1 19 . 1 1 39 39 ALA N N 39 124.260 124.260 131.038 -6.778 19840 5285 1 19 . 1 1 39 39 ALA HA H 39 5.671 5.671 4.975 0.696 19840 5286 1 19 . 1 1 39 39 ALA CA C 39 49.202 49.202 50.239 -1.037 19840 5287 1 19 . 1 1 39 39 ALA CB C 39 23.170 23.170 20.382 2.788 19840 5288 1 19 . 1 1 39 39 ALA H H 39 8.498 8.498 8.790 -0.292 19840 5289 1 19 . 1 1 40 40 THR N N 40 112.492 112.492 119.534 -7.042 19840 5290 1 19 . 1 1 40 40 THR HA H 40 4.651 4.651 4.343 0.308 19840 5291 1 19 . 1 1 40 40 THR CA C 40 60.482 60.482 61.375 -0.893 19840 5292 1 19 . 1 1 40 40 THR CB C 40 71.335 71.335 69.150 2.185 19840 5293 1 19 . 1 1 40 40 THR H H 40 8.996 8.996 8.264 0.732 19840 5294 1 19 . 1 1 41 41 SER H H 41 8.288 8.288 8.700 -0.412 19840 5295 1 19 . 1 1 42 42 SER N N 42 113.261 113.261 113.962 -0.701 19840 5296 1 19 . 1 1 42 42 SER HA H 42 4.636 4.636 4.577 0.059 19840 5297 1 19 . 1 1 42 42 SER CA C 42 57.101 57.101 57.525 -0.424 19840 5298 1 19 . 1 1 42 42 SER CB C 42 62.842 62.842 62.669 0.173 19840 5299 1 19 . 1 1 42 42 SER H H 42 7.629 7.629 7.781 -0.152 19840 5300 1 19 . 1 1 43 43 CYS N N 43 111.527 111.527 117.710 -6.183 19840 5301 1 19 . 1 1 43 43 CYS HA H 43 4.311 4.311 4.124 0.187 19840 5302 1 19 . 1 1 43 43 CYS CA C 43 54.093 54.093 59.981 -5.888 19840 5303 1 19 . 1 1 43 43 CYS CB C 43 32.030 32.030 25.325 6.705 19840 5304 1 19 . 1 1 43 43 CYS H H 43 8.008 8.008 8.160 -0.152 19840 5305 1 19 . 1 1 44 44 GLY N N 44 107.262 107.262 107.455 -0.193 19840 5306 1 19 . 1 1 44 44 GLY CA C 44 45.585 45.585 44.549 1.036 19840 5307 1 19 . 1 1 44 44 GLY H H 44 8.222 8.222 8.169 0.053 19840 5308 1 19 . 1 1 45 45 LEU N N 45 127.185 127.185 126.739 0.446 19840 5309 1 19 . 1 1 45 45 LEU HA H 45 5.586 5.586 5.161 0.425 19840 5310 1 19 . 1 1 45 45 LEU CA C 45 53.741 53.741 54.656 -0.915 19840 5311 1 19 . 1 1 45 45 LEU CB C 45 44.311 44.311 42.885 1.426 19840 5312 1 19 . 1 1 45 45 LEU H H 45 8.684 8.684 8.248 0.436 19840 5313 1 19 . 1 1 46 46 SER N N 46 114.241 114.241 116.456 -2.215 19840 5314 1 19 . 1 1 46 46 SER HA H 46 4.595 4.595 4.498 0.097 19840 5315 1 19 . 1 1 46 46 SER CA C 46 57.466 57.466 57.421 0.045 19840 5316 1 19 . 1 1 46 46 SER CB C 46 65.844 65.844 65.254 0.590 19840 5317 1 19 . 1 1 46 46 SER H H 46 8.856 8.856 8.197 0.659 19840 5318 1 19 . 1 1 47 47 LEU N N 47 120.302 120.302 123.946 -3.644 19840 5319 1 19 . 1 1 47 47 LEU HA H 47 4.756 4.756 4.586 0.170 19840 5320 1 19 . 1 1 47 47 LEU CA C 47 53.725 53.725 55.594 -1.869 19840 5321 1 19 . 1 1 47 47 LEU CB C 47 43.078 43.078 42.866 0.212 19840 5322 1 19 . 1 1 47 47 LEU H H 47 8.482 8.482 8.598 -0.116 19840 5323 1 19 . 1 1 48 48 THR N N 48 119.533 119.533 116.316 3.217 19840 5324 1 19 . 1 1 48 48 THR HA H 48 4.211 4.211 4.442 -0.231 19840 5325 1 19 . 1 1 48 48 THR CA C 48 63.095 63.095 61.810 1.285 19840 5326 1 19 . 1 1 48 48 THR CB C 48 69.170 69.170 69.392 -0.223 19840 5327 1 19 . 1 1 48 48 THR H H 48 8.472 8.472 8.380 0.092 19840 5328 1 19 . 1 1 49 49 ASN N N 49 120.348 120.348 123.272 -2.924 19840 5329 1 19 . 1 1 49 49 ASN HA H 49 4.511 4.511 4.427 0.084 19840 5330 1 19 . 1 1 49 49 ASN CA C 49 53.577 53.577 54.645 -1.068 19840 5331 1 19 . 1 1 49 49 ASN CB C 49 37.381 37.381 38.035 -0.654 19840 5332 1 19 . 1 1 49 49 ASN H H 49 8.967 8.967 8.844 0.123 19840 5333 1 19 . 1 1 50 50 GLN N N 50 114.907 114.907 116.490 -1.583 19840 5334 1 19 . 1 1 50 50 GLN HA H 50 4.672 4.672 4.536 0.136 19840 5335 1 19 . 1 1 50 50 GLN CA C 50 54.515 54.515 55.237 -0.722 19840 5336 1 19 . 1 1 50 50 GLN CB C 50 34.947 34.947 32.043 2.904 19840 5337 1 19 . 1 1 50 50 GLN H H 50 7.207 7.207 8.140 -0.933 19840 5338 1 19 . 1 1 51 51 VAL N N 51 112.350 112.350 115.841 -3.491 19840 5339 1 19 . 1 1 51 51 VAL HA H 51 4.430 4.430 4.703 -0.273 19840 5340 1 19 . 1 1 51 51 VAL CA C 51 59.441 59.441 60.007 -0.566 19840 5341 1 19 . 1 1 51 51 VAL CB C 51 34.108 34.108 33.943 0.165 19840 5342 1 19 . 1 1 51 51 VAL H H 51 7.575 7.575 8.041 -0.466 19840 5343 1 19 . 1 1 52 52 PHE N N 52 119.853 119.853 117.678 2.175 19840 5344 1 19 . 1 1 52 52 PHE HA H 52 4.422 4.422 4.772 -0.350 19840 5345 1 19 . 1 1 52 52 PHE CA C 52 60.310 60.310 56.598 3.712 19840 5346 1 19 . 1 1 52 52 PHE CB C 52 40.650 40.650 40.779 -0.129 19840 5347 1 19 . 1 1 52 52 PHE H H 52 8.221 8.221 7.696 0.525 19840 5348 1 19 . 1 1 53 53 ILE N N 53 116.505 116.505 114.190 2.315 19840 5349 1 19 . 1 1 53 53 ILE HA H 53 4.688 4.688 4.397 0.291 19840 5350 1 19 . 1 1 53 53 ILE CA C 53 59.582 59.582 60.338 -0.756 19840 5351 1 19 . 1 1 53 53 ILE CB C 53 41.131 41.131 41.603 -0.472 19840 5352 1 19 . 1 1 53 53 ILE H H 53 8.436 8.436 8.462 -0.026 19840 5353 1 19 . 1 1 54 54 ASN N N 54 113.329 113.329 119.139 -5.810 19840 5354 1 19 . 1 1 54 54 ASN HA H 54 4.351 4.351 4.436 -0.085 19840 5355 1 19 . 1 1 54 54 ASN CA C 54 54.129 54.129 54.236 -0.107 19840 5356 1 19 . 1 1 54 54 ASN CB C 54 37.453 37.453 38.026 -0.573 19840 5357 1 19 . 1 1 54 54 ASN H H 54 8.889 8.889 9.180 -0.291 19840 5358 1 19 . 1 1 55 55 GLY N N 55 107.928 107.928 102.461 5.467 19840 5359 1 19 . 1 1 55 55 GLY CA C 55 46.132 46.132 45.707 0.425 19840 5360 1 19 . 1 1 55 55 GLY H H 55 8.911 8.911 8.509 0.402 19840 5361 1 19 . 1 1 56 56 GLU N N 56 119.227 119.227 120.880 -1.653 19840 5362 1 19 . 1 1 56 56 GLU HA H 56 4.590 4.590 4.662 -0.072 19840 5363 1 19 . 1 1 56 56 GLU CA C 56 55.616 55.616 57.026 -1.410 19840 5364 1 19 . 1 1 56 56 GLU CB C 56 30.193 30.193 30.841 -0.648 19840 5365 1 19 . 1 1 56 56 GLU H H 56 7.646 7.646 8.265 -0.619 19840 5366 1 19 . 1 1 57 57 SER N N 57 109.621 109.621 119.390 -9.769 19840 5367 1 19 . 1 1 57 57 SER HA H 57 2.577 2.577 4.689 -2.112 19840 5368 1 19 . 1 1 57 57 SER CA C 57 57.073 57.073 56.779 0.294 19840 5369 1 19 . 1 1 57 57 SER CB C 57 64.367 64.367 65.244 -0.877 19840 5370 1 19 . 1 1 57 57 SER H H 57 7.939 7.939 8.644 -0.705 19840 5371 1 19 . 1 1 58 58 VAL N N 58 115.887 115.887 116.456 -0.569 19840 5372 1 19 . 1 1 58 58 VAL HA H 58 5.488 5.488 5.226 0.262 19840 5373 1 19 . 1 1 58 58 VAL CA C 58 57.914 57.914 59.883 -1.969 19840 5374 1 19 . 1 1 58 58 VAL CB C 58 34.794 34.794 34.057 0.737 19840 5375 1 19 . 1 1 58 58 VAL H H 58 7.721 7.721 8.161 -0.440 19840 5376 1 19 . 1 1 59 59 GLN N N 59 126.845 126.845 124.361 2.484 19840 5377 1 19 . 1 1 59 59 GLN HA H 59 4.669 4.669 4.698 -0.029 19840 5378 1 19 . 1 1 59 59 GLN CA C 59 53.560 53.560 53.503 0.057 19840 5379 1 19 . 1 1 59 59 GLN CB C 59 33.889 33.889 33.613 0.276 19840 5380 1 19 . 1 1 59 59 GLN H H 59 9.107 9.107 8.943 0.164 19840 5381 1 19 . 1 1 60 60 SER N N 60 119.479 119.479 120.600 -1.121 19840 5382 1 19 . 1 1 60 60 SER HA H 60 4.768 4.768 4.896 -0.128 19840 5383 1 19 . 1 1 60 60 SER CA C 60 58.438 58.438 57.934 0.504 19840 5384 1 19 . 1 1 60 60 SER CB C 60 63.484 63.484 63.093 0.391 19840 5385 1 19 . 1 1 60 60 SER H H 60 8.959 8.959 8.726 0.233 19840 5386 1 19 . 1 1 61 61 GLY N N 61 113.757 113.757 111.029 2.728 19840 5387 1 19 . 1 1 61 61 GLY CA C 61 44.893 44.893 45.520 -0.627 19840 5388 1 19 . 1 1 61 61 GLY H H 61 8.287 8.287 8.360 -0.073 19840 5389 1 19 . 1 1 62 62 GLY N N 62 108.329 108.329 107.826 0.503 19840 5390 1 19 . 1 1 62 62 GLY CA C 62 43.932 43.932 44.453 -0.521 19840 5391 1 19 . 1 1 62 62 GLY H H 62 7.868 7.868 7.457 0.411 19840 5392 1 19 . 1 1 63 63 ARG N N 63 122.424 122.424 120.883 1.541 19840 5393 1 19 . 1 1 63 63 ARG HA H 63 5.229 5.229 4.914 0.315 19840 5394 1 19 . 1 1 63 63 ARG CA C 63 54.037 54.037 54.979 -0.942 19840 5395 1 19 . 1 1 63 63 ARG CB C 63 31.849 31.849 31.366 0.483 19840 5396 1 19 . 1 1 63 63 ARG H H 63 8.730 8.730 8.212 0.518 19840 5397 1 20 . 1 1 2 2 CYS N N 2 119.737 119.737 119.019 0.718 19840 5398 1 20 . 1 1 2 2 CYS HA H 2 5.082 5.082 5.160 -0.078 19840 5399 1 20 . 1 1 2 2 CYS CA C 2 53.264 53.264 57.944 -4.680 19840 5400 1 20 . 1 1 2 2 CYS CB C 2 39.218 39.218 31.595 7.623 19840 5401 1 20 . 1 1 2 2 CYS H H 2 9.003 9.003 8.498 0.505 19840 5402 1 20 . 1 1 3 3 VAL N N 3 126.716 126.716 120.192 6.524 19840 5403 1 20 . 1 1 3 3 VAL HA H 3 4.177 4.177 4.509 -0.332 19840 5404 1 20 . 1 1 3 3 VAL CA C 3 64.132 64.132 61.065 3.067 19840 5405 1 20 . 1 1 3 3 VAL CB C 3 31.608 31.608 35.107 -3.499 19840 5406 1 20 . 1 1 3 3 VAL H H 3 8.647 8.647 8.455 0.192 19840 5407 1 20 . 1 1 4 4 ALA N N 4 134.327 134.327 129.956 4.371 19840 5408 1 20 . 1 1 4 4 ALA HA H 4 4.773 4.773 4.798 -0.025 19840 5409 1 20 . 1 1 4 4 ALA CA C 4 49.964 49.964 50.198 -0.234 19840 5410 1 20 . 1 1 4 4 ALA CB C 4 22.047 22.047 21.772 0.275 19840 5411 1 20 . 1 1 4 4 ALA H H 4 9.282 9.282 9.070 0.212 19840 5412 1 20 . 1 1 5 5 ASN N N 5 119.560 119.560 120.621 -1.061 19840 5413 1 20 . 1 1 5 5 ASN HA H 5 5.516 5.516 5.345 0.171 19840 5414 1 20 . 1 1 5 5 ASN CA C 5 50.853 50.853 51.784 -0.931 19840 5415 1 20 . 1 1 5 5 ASN CB C 5 40.194 40.194 42.837 -2.643 19840 5416 1 20 . 1 1 5 5 ASN H H 5 8.760 8.760 8.574 0.186 19840 5417 1 20 . 1 1 6 6 ILE N N 6 123.118 123.118 122.520 0.598 19840 5418 1 20 . 1 1 6 6 ILE HA H 6 4.961 4.961 4.843 0.118 19840 5419 1 20 . 1 1 6 6 ILE CA C 6 57.398 57.398 59.580 -2.182 19840 5420 1 20 . 1 1 6 6 ILE CB C 6 35.561 35.561 38.762 -3.201 19840 5421 1 20 . 1 1 6 6 ILE H H 6 9.093 9.093 8.845 0.248 19840 5422 1 20 . 1 1 7 7 LEU N N 7 128.607 128.607 125.536 3.071 19840 5423 1 20 . 1 1 7 7 LEU HA H 7 5.399 5.399 5.063 0.336 19840 5424 1 20 . 1 1 7 7 LEU CA C 7 52.382 52.382 53.413 -1.031 19840 5425 1 20 . 1 1 7 7 LEU CB C 7 44.218 44.218 44.791 -0.573 19840 5426 1 20 . 1 1 7 7 LEU H H 7 8.896 8.896 9.088 -0.192 19840 5427 1 20 . 1 1 8 8 ASN N N 8 114.552 114.552 119.096 -4.544 19840 5428 1 20 . 1 1 8 8 ASN HA H 8 4.847 4.847 4.860 -0.013 19840 5429 1 20 . 1 1 8 8 ASN CA C 8 50.359 50.359 51.588 -1.229 19840 5430 1 20 . 1 1 8 8 ASN CB C 8 39.476 39.476 39.157 0.319 19840 5431 1 20 . 1 1 8 8 ASN H H 8 8.341 8.341 8.422 -0.081 19840 5432 1 20 . 1 1 9 9 ILE N N 9 120.261 120.261 118.966 1.295 19840 5433 1 20 . 1 1 9 9 ILE HA H 9 4.013 4.013 4.023 -0.010 19840 5434 1 20 . 1 1 9 9 ILE CA C 9 63.509 63.509 62.908 0.601 19840 5435 1 20 . 1 1 9 9 ILE CB C 9 38.538 38.538 38.088 0.450 19840 5436 1 20 . 1 1 9 9 ILE H H 9 8.713 8.713 8.565 0.148 19840 5437 1 20 . 1 1 10 10 ASN N N 10 117.798 117.798 116.801 0.997 19840 5438 1 20 . 1 1 10 10 ASN HA H 10 4.897 4.897 4.785 0.112 19840 5439 1 20 . 1 1 10 10 ASN CA C 10 52.939 52.939 53.198 -0.259 19840 5440 1 20 . 1 1 10 10 ASN CB C 10 38.741 38.741 39.200 -0.459 19840 5441 1 20 . 1 1 10 10 ASN H H 10 7.242 7.242 8.109 -0.867 19840 5442 1 20 . 1 1 11 11 GLU N N 11 112.166 112.166 114.399 -2.233 19840 5443 1 20 . 1 1 11 11 GLU HA H 11 3.548 3.548 3.856 -0.308 19840 5444 1 20 . 1 1 11 11 GLU CA C 11 58.111 58.111 57.484 0.627 19840 5445 1 20 . 1 1 11 11 GLU CB C 11 25.932 25.932 26.890 -0.958 19840 5446 1 20 . 1 1 11 11 GLU H H 11 8.242 8.242 8.162 0.080 19840 5447 1 20 . 1 1 12 12 ALA N N 12 121.641 121.641 121.538 0.103 19840 5448 1 20 . 1 1 12 12 ALA HA H 12 4.502 4.502 4.532 -0.030 19840 5449 1 20 . 1 1 12 12 ALA CA C 12 50.413 50.413 50.892 -0.478 19840 5450 1 20 . 1 1 12 12 ALA CB C 12 19.623 19.623 20.164 -0.541 19840 5451 1 20 . 1 1 12 12 ALA H H 12 7.798 7.798 8.775 -0.977 19840 5452 1 20 . 1 1 13 13 VAL N N 13 121.315 121.315 126.552 -5.237 19840 5453 1 20 . 1 1 13 13 VAL HA H 13 4.076 4.076 4.005 0.071 19840 5454 1 20 . 1 1 13 13 VAL CA C 13 63.484 63.484 64.535 -1.051 19840 5455 1 20 . 1 1 13 13 VAL CB C 13 31.277 31.277 30.696 0.581 19840 5456 1 20 . 1 1 13 13 VAL H H 13 8.512 8.512 8.778 -0.266 19840 5457 1 20 . 1 1 14 14 ILE N N 14 121.921 121.921 123.095 -1.174 19840 5458 1 20 . 1 1 14 14 ILE HA H 14 4.635 4.635 4.544 0.091 19840 5459 1 20 . 1 1 14 14 ILE CA C 14 61.188 61.188 60.745 0.443 19840 5460 1 20 . 1 1 14 14 ILE CB C 14 39.644 39.644 38.879 0.765 19840 5461 1 20 . 1 1 14 14 ILE H H 14 9.293 9.293 9.096 0.197 19840 5462 1 20 . 1 1 15 15 ALA N N 15 123.193 123.193 122.846 0.347 19840 5463 1 20 . 1 1 15 15 ALA HA H 15 4.624 4.624 4.785 -0.161 19840 5464 1 20 . 1 1 15 15 ALA CA C 15 52.546 52.546 51.248 1.298 19840 5465 1 20 . 1 1 15 15 ALA CB C 15 22.693 22.693 21.918 0.775 19840 5466 1 20 . 1 1 15 15 ALA H H 15 7.941 7.941 7.815 0.126 19840 5467 1 20 . 1 1 16 16 THR N N 16 114.723 114.723 111.819 2.904 19840 5468 1 20 . 1 1 16 16 THR HA H 16 5.738 5.738 5.517 0.221 19840 5469 1 20 . 1 1 16 16 THR CA C 16 60.046 60.046 59.613 0.433 19840 5470 1 20 . 1 1 16 16 THR CB C 16 70.929 70.929 71.943 -1.014 19840 5471 1 20 . 1 1 16 16 THR H H 16 8.582 8.582 8.358 0.224 19840 5472 1 20 . 1 1 17 17 GLY N N 17 111.166 111.166 108.406 2.760 19840 5473 1 20 . 1 1 17 17 GLY CA C 17 45.095 45.095 45.189 -0.094 19840 5474 1 20 . 1 1 17 17 GLY H H 17 8.576 8.576 8.309 0.267 19840 5475 1 20 . 1 1 18 18 CYS N N 18 121.493 121.493 120.652 0.841 19840 5476 1 20 . 1 1 18 18 CYS HA H 18 4.930 4.930 4.915 0.015 19840 5477 1 20 . 1 1 18 18 CYS CA C 18 53.999 53.999 58.066 -4.067 19840 5478 1 20 . 1 1 18 18 CYS CB C 18 39.899 39.899 28.662 11.237 19840 5479 1 20 . 1 1 18 18 CYS H H 18 8.622 8.622 8.528 0.094 19840 5480 1 20 . 1 1 19 19 VAL N N 19 131.185 131.185 126.806 4.379 19840 5481 1 20 . 1 1 19 19 VAL HA H 19 4.019 4.019 4.593 -0.574 19840 5482 1 20 . 1 1 19 19 VAL CA C 19 59.537 59.537 58.724 0.813 19840 5483 1 20 . 1 1 19 19 VAL CB C 19 33.825 33.825 33.602 0.223 19840 5484 1 20 . 1 1 19 19 VAL H H 19 9.414 9.414 9.042 0.372 19840 5485 1 20 . 1 1 20 20 PRO HA H 20 4.012 4.012 4.541 -0.529 19840 5486 1 20 . 1 1 20 20 PRO CA C 20 62.492 62.492 62.097 0.395 19840 5487 1 20 . 1 1 20 20 PRO CB C 20 31.931 31.931 32.136 -0.205 19840 5488 1 20 . 1 1 21 21 ALA N N 21 127.518 127.518 124.394 3.124 19840 5489 1 20 . 1 1 21 21 ALA HA H 21 3.907 3.907 3.907 0.000 19840 5490 1 20 . 1 1 21 21 ALA CA C 21 53.558 53.558 53.183 0.375 19840 5491 1 20 . 1 1 21 21 ALA CB C 21 17.717 17.717 18.855 -1.138 19840 5492 1 20 . 1 1 21 21 ALA H H 21 8.147 8.147 8.362 -0.215 19840 5493 1 20 . 1 1 22 22 GLY N N 22 114.819 114.819 111.379 3.440 19840 5494 1 20 . 1 1 22 22 GLY CA C 22 46.038 46.038 45.741 0.297 19840 5495 1 20 . 1 1 22 22 GLY H H 22 7.292 7.292 8.475 -1.183 19840 5496 1 20 . 1 1 23 23 GLY N N 23 111.300 111.300 107.706 3.594 19840 5497 1 20 . 1 1 23 23 GLY CA C 23 44.366 44.366 43.838 0.528 19840 5498 1 20 . 1 1 23 23 GLY H H 23 8.204 8.204 8.080 0.124 19840 5499 1 20 . 1 1 24 24 GLU N N 24 116.771 116.771 118.638 -1.867 19840 5500 1 20 . 1 1 24 24 GLU HA H 24 5.594 5.594 4.907 0.687 19840 5501 1 20 . 1 1 24 24 GLU CA C 24 53.749 53.749 55.380 -1.631 19840 5502 1 20 . 1 1 24 24 GLU CB C 24 35.193 35.193 32.478 2.715 19840 5503 1 20 . 1 1 24 24 GLU H H 24 8.131 8.131 8.156 -0.025 19840 5504 1 20 . 1 1 25 25 LEU N N 25 121.029 121.029 122.742 -1.713 19840 5505 1 20 . 1 1 25 25 LEU HA H 25 4.465 4.465 4.734 -0.269 19840 5506 1 20 . 1 1 25 25 LEU CA C 25 54.586 54.586 53.840 0.746 19840 5507 1 20 . 1 1 25 25 LEU CB C 25 49.054 49.054 46.824 2.230 19840 5508 1 20 . 1 1 25 25 LEU H H 25 8.899 8.899 8.886 0.013 19840 5509 1 20 . 1 1 26 26 ARG N N 26 128.131 128.131 123.800 4.331 19840 5510 1 20 . 1 1 26 26 ARG HA H 26 4.864 4.864 4.633 0.231 19840 5511 1 20 . 1 1 26 26 ARG CA C 26 55.359 55.359 55.859 -0.500 19840 5512 1 20 . 1 1 26 26 ARG CB C 26 29.623 29.623 30.648 -1.024 19840 5513 1 20 . 1 1 26 26 ARG H H 26 8.604 8.604 8.572 0.032 19840 5514 1 20 . 1 1 27 27 ILE N N 27 129.246 129.246 126.471 2.775 19840 5515 1 20 . 1 1 27 27 ILE HA H 27 4.202 4.202 4.144 0.058 19840 5516 1 20 . 1 1 27 27 ILE CA C 27 60.765 60.765 60.058 0.707 19840 5517 1 20 . 1 1 27 27 ILE CB C 27 40.383 40.383 40.540 -0.157 19840 5518 1 20 . 1 1 27 27 ILE H H 27 9.029 9.029 8.531 0.498 19840 5519 1 20 . 1 1 28 28 PHE N N 28 127.383 127.383 124.302 3.081 19840 5520 1 20 . 1 1 28 28 PHE HA H 28 3.968 3.968 5.060 -1.092 19840 5521 1 20 . 1 1 28 28 PHE CA C 28 58.921 58.921 55.776 3.145 19840 5522 1 20 . 1 1 28 28 PHE CB C 28 39.444 39.444 39.382 0.062 19840 5523 1 20 . 1 1 28 28 PHE H H 28 8.885 8.885 7.678 1.207 19840 5524 1 20 . 1 1 29 29 VAL N N 29 124.164 124.164 126.026 -1.862 19840 5525 1 20 . 1 1 29 29 VAL HA H 29 3.887 3.887 4.489 -0.602 19840 5526 1 20 . 1 1 29 29 VAL CA C 29 61.099 61.099 60.550 0.548 19840 5527 1 20 . 1 1 29 29 VAL CB C 29 30.194 30.194 31.775 -1.581 19840 5528 1 20 . 1 1 29 29 VAL H H 29 8.396 8.396 8.309 0.087 19840 5529 1 20 . 1 1 30 30 GLY N N 30 113.336 113.336 114.656 -1.320 19840 5530 1 20 . 1 1 30 30 GLY CA C 30 46.252 46.252 45.358 0.893 19840 5531 1 20 . 1 1 30 30 GLY H H 30 8.376 8.376 8.163 0.213 19840 5532 1 20 . 1 1 31 31 SER H H 31 8.290 8.290 8.769 -0.479 19840 5533 1 20 . 1 1 32 32 SER N N 32 114.602 114.602 115.727 -1.125 19840 5534 1 20 . 1 1 32 32 SER HA H 32 4.572 4.572 4.589 -0.017 19840 5535 1 20 . 1 1 32 32 SER CA C 32 59.632 59.632 58.626 1.006 19840 5536 1 20 . 1 1 32 32 SER CB C 32 64.882 64.882 64.272 0.610 19840 5537 1 20 . 1 1 32 32 SER H H 32 8.344 8.344 8.281 0.063 19840 5538 1 20 . 1 1 33 33 HIS N N 33 114.790 114.790 120.449 -5.659 19840 5539 1 20 . 1 1 33 33 HIS HA H 33 4.881 4.881 4.676 0.205 19840 5540 1 20 . 1 1 33 33 HIS CA C 33 55.139 55.139 55.703 -0.564 19840 5541 1 20 . 1 1 33 33 HIS CB C 33 29.454 29.454 31.657 -2.203 19840 5542 1 20 . 1 1 33 33 HIS H H 33 7.586 7.586 7.990 -0.404 19840 5543 1 20 . 1 1 34 34 SER N N 34 112.452 112.452 119.885 -7.433 19840 5544 1 20 . 1 1 34 34 SER HA H 34 4.651 4.651 5.240 -0.589 19840 5545 1 20 . 1 1 34 34 SER CA C 34 56.296 56.296 57.200 -0.904 19840 5546 1 20 . 1 1 34 34 SER CB C 34 66.406 66.406 66.328 0.078 19840 5547 1 20 . 1 1 34 34 SER H H 34 8.169 8.169 8.331 -0.162 19840 5548 1 20 . 1 1 35 35 TYR N N 35 116.118 116.118 120.408 -4.290 19840 5549 1 20 . 1 1 35 35 TYR HA H 35 5.047 5.047 4.909 0.138 19840 5550 1 20 . 1 1 35 35 TYR CA C 35 55.601 55.601 57.382 -1.781 19840 5551 1 20 . 1 1 35 35 TYR CB C 35 43.070 43.070 42.237 0.833 19840 5552 1 20 . 1 1 35 35 TYR H H 35 8.493 8.493 8.899 -0.406 19840 5553 1 20 . 1 1 36 36 LEU N N 36 125.430 125.430 126.509 -1.079 19840 5554 1 20 . 1 1 36 36 LEU HA H 36 4.565 4.565 4.795 -0.230 19840 5555 1 20 . 1 1 36 36 LEU CA C 36 53.796 53.796 55.068 -1.272 19840 5556 1 20 . 1 1 36 36 LEU CB C 36 41.810 41.810 43.294 -1.484 19840 5557 1 20 . 1 1 36 36 LEU H H 36 8.476 8.476 8.970 -0.494 19840 5558 1 20 . 1 1 37 37 ILE N N 37 129.763 129.763 126.916 2.847 19840 5559 1 20 . 1 1 37 37 ILE HA H 37 4.607 4.607 4.403 0.204 19840 5560 1 20 . 1 1 37 37 ILE CA C 37 57.337 57.337 59.151 -1.815 19840 5561 1 20 . 1 1 37 37 ILE CB C 37 37.601 37.601 38.853 -1.252 19840 5562 1 20 . 1 1 37 37 ILE H H 37 8.512 8.512 9.188 -0.676 19840 5563 1 20 . 1 1 38 38 LYS N N 38 125.927 125.927 128.094 -2.167 19840 5564 1 20 . 1 1 38 38 LYS HA H 38 4.958 4.958 4.902 0.056 19840 5565 1 20 . 1 1 38 38 LYS CA C 38 54.054 54.054 54.647 -0.593 19840 5566 1 20 . 1 1 38 38 LYS CB C 38 34.807 34.807 35.197 -0.390 19840 5567 1 20 . 1 1 38 38 LYS H H 38 8.849 8.849 8.947 -0.098 19840 5568 1 20 . 1 1 39 39 ALA N N 39 124.260 124.260 130.632 -6.372 19840 5569 1 20 . 1 1 39 39 ALA HA H 39 5.671 5.671 5.260 0.411 19840 5570 1 20 . 1 1 39 39 ALA CA C 39 49.202 49.202 50.319 -1.117 19840 5571 1 20 . 1 1 39 39 ALA CB C 39 23.170 23.170 21.259 1.911 19840 5572 1 20 . 1 1 39 39 ALA H H 39 8.498 8.498 8.632 -0.134 19840 5573 1 20 . 1 1 40 40 THR N N 40 112.492 112.492 117.162 -4.670 19840 5574 1 20 . 1 1 40 40 THR HA H 40 4.651 4.651 4.591 0.060 19840 5575 1 20 . 1 1 40 40 THR CA C 40 60.482 60.482 60.009 0.473 19840 5576 1 20 . 1 1 40 40 THR CB C 40 71.335 71.335 69.844 1.492 19840 5577 1 20 . 1 1 40 40 THR H H 40 8.996 8.996 8.152 0.844 19840 5578 1 20 . 1 1 41 41 SER H H 41 8.288 8.288 8.678 -0.391 19840 5579 1 20 . 1 1 42 42 SER N N 42 113.261 113.261 114.073 -0.812 19840 5580 1 20 . 1 1 42 42 SER HA H 42 4.636 4.636 4.612 0.024 19840 5581 1 20 . 1 1 42 42 SER CA C 42 57.101 57.101 57.773 -0.671 19840 5582 1 20 . 1 1 42 42 SER CB C 42 62.842 62.842 62.957 -0.115 19840 5583 1 20 . 1 1 42 42 SER H H 42 7.629 7.629 7.758 -0.129 19840 5584 1 20 . 1 1 43 43 CYS N N 43 111.527 111.527 118.714 -7.187 19840 5585 1 20 . 1 1 43 43 CYS HA H 43 4.311 4.311 4.140 0.171 19840 5586 1 20 . 1 1 43 43 CYS CA C 43 54.093 54.093 59.238 -5.145 19840 5587 1 20 . 1 1 43 43 CYS CB C 43 32.030 32.030 25.549 6.481 19840 5588 1 20 . 1 1 43 43 CYS H H 43 8.008 8.008 8.335 -0.327 19840 5589 1 20 . 1 1 44 44 GLY N N 44 107.262 107.262 107.103 0.159 19840 5590 1 20 . 1 1 44 44 GLY CA C 44 45.585 45.585 44.572 1.014 19840 5591 1 20 . 1 1 44 44 GLY H H 44 8.222 8.222 8.201 0.021 19840 5592 1 20 . 1 1 45 45 LEU N N 45 127.185 127.185 125.501 1.684 19840 5593 1 20 . 1 1 45 45 LEU HA H 45 5.586 5.586 5.297 0.289 19840 5594 1 20 . 1 1 45 45 LEU CA C 45 53.741 53.741 54.601 -0.860 19840 5595 1 20 . 1 1 45 45 LEU CB C 45 44.311 44.311 43.206 1.105 19840 5596 1 20 . 1 1 45 45 LEU H H 45 8.684 8.684 8.427 0.257 19840 5597 1 20 . 1 1 46 46 SER N N 46 114.241 114.241 114.016 0.225 19840 5598 1 20 . 1 1 46 46 SER HA H 46 4.595 4.595 4.547 0.048 19840 5599 1 20 . 1 1 46 46 SER CA C 46 57.466 57.466 57.662 -0.196 19840 5600 1 20 . 1 1 46 46 SER CB C 46 65.844 65.844 64.759 1.085 19840 5601 1 20 . 1 1 46 46 SER H H 46 8.856 8.856 8.214 0.642 19840 5602 1 20 . 1 1 47 47 LEU N N 47 120.302 120.302 124.561 -4.259 19840 5603 1 20 . 1 1 47 47 LEU HA H 47 4.756 4.756 4.681 0.075 19840 5604 1 20 . 1 1 47 47 LEU CA C 47 53.725 53.725 55.339 -1.614 19840 5605 1 20 . 1 1 47 47 LEU CB C 47 43.078 43.078 43.126 -0.048 19840 5606 1 20 . 1 1 47 47 LEU H H 47 8.482 8.482 8.654 -0.172 19840 5607 1 20 . 1 1 48 48 THR N N 48 119.533 119.533 118.967 0.566 19840 5608 1 20 . 1 1 48 48 THR HA H 48 4.211 4.211 4.403 -0.192 19840 5609 1 20 . 1 1 48 48 THR CA C 48 63.095 63.095 62.327 0.768 19840 5610 1 20 . 1 1 48 48 THR CB C 48 69.170 69.170 68.374 0.796 19840 5611 1 20 . 1 1 48 48 THR H H 48 8.472 8.472 8.686 -0.214 19840 5612 1 20 . 1 1 49 49 ASN N N 49 120.348 120.348 121.299 -0.951 19840 5613 1 20 . 1 1 49 49 ASN HA H 49 4.511 4.511 4.526 -0.015 19840 5614 1 20 . 1 1 49 49 ASN CA C 49 53.577 53.577 54.365 -0.788 19840 5615 1 20 . 1 1 49 49 ASN CB C 49 37.381 37.381 38.041 -0.660 19840 5616 1 20 . 1 1 49 49 ASN H H 49 8.967 8.967 8.578 0.389 19840 5617 1 20 . 1 1 50 50 GLN N N 50 114.907 114.907 117.369 -2.462 19840 5618 1 20 . 1 1 50 50 GLN HA H 50 4.672 4.672 4.496 0.176 19840 5619 1 20 . 1 1 50 50 GLN CA C 50 54.515 54.515 55.064 -0.549 19840 5620 1 20 . 1 1 50 50 GLN CB C 50 34.947 34.947 31.463 3.484 19840 5621 1 20 . 1 1 50 50 GLN H H 50 7.207 7.207 8.098 -0.891 19840 5622 1 20 . 1 1 51 51 VAL N N 51 112.350 112.350 115.651 -3.301 19840 5623 1 20 . 1 1 51 51 VAL HA H 51 4.430 4.430 4.596 -0.166 19840 5624 1 20 . 1 1 51 51 VAL CA C 51 59.441 59.441 59.344 0.097 19840 5625 1 20 . 1 1 51 51 VAL CB C 51 34.108 34.108 33.717 0.391 19840 5626 1 20 . 1 1 51 51 VAL H H 51 7.575 7.575 8.196 -0.621 19840 5627 1 20 . 1 1 52 52 PHE N N 52 119.853 119.853 116.091 3.762 19840 5628 1 20 . 1 1 52 52 PHE HA H 52 4.422 4.422 4.915 -0.493 19840 5629 1 20 . 1 1 52 52 PHE CA C 52 60.310 60.310 56.069 4.241 19840 5630 1 20 . 1 1 52 52 PHE CB C 52 40.650 40.650 40.756 -0.106 19840 5631 1 20 . 1 1 52 52 PHE H H 52 8.221 8.221 7.828 0.393 19840 5632 1 20 . 1 1 53 53 ILE N N 53 116.505 116.505 114.420 2.085 19840 5633 1 20 . 1 1 53 53 ILE HA H 53 4.688 4.688 4.269 0.419 19840 5634 1 20 . 1 1 53 53 ILE CA C 53 59.582 59.582 60.130 -0.548 19840 5635 1 20 . 1 1 53 53 ILE CB C 53 41.131 41.131 41.148 -0.017 19840 5636 1 20 . 1 1 53 53 ILE H H 53 8.436 8.436 7.873 0.563 19840 5637 1 20 . 1 1 54 54 ASN N N 54 113.329 113.329 118.713 -5.384 19840 5638 1 20 . 1 1 54 54 ASN HA H 54 4.351 4.351 4.452 -0.101 19840 5639 1 20 . 1 1 54 54 ASN CA C 54 54.129 54.129 53.965 0.164 19840 5640 1 20 . 1 1 54 54 ASN CB C 54 37.453 37.453 37.669 -0.216 19840 5641 1 20 . 1 1 54 54 ASN H H 54 8.889 8.889 9.099 -0.210 19840 5642 1 20 . 1 1 55 55 GLY N N 55 107.928 107.928 100.700 7.228 19840 5643 1 20 . 1 1 55 55 GLY CA C 55 46.132 46.132 45.638 0.494 19840 5644 1 20 . 1 1 55 55 GLY H H 55 8.911 8.911 8.525 0.386 19840 5645 1 20 . 1 1 56 56 GLU N N 56 119.227 119.227 120.725 -1.498 19840 5646 1 20 . 1 1 56 56 GLU HA H 56 4.590 4.590 4.968 -0.378 19840 5647 1 20 . 1 1 56 56 GLU CA C 56 55.616 55.616 56.183 -0.567 19840 5648 1 20 . 1 1 56 56 GLU CB C 56 30.193 30.193 31.573 -1.380 19840 5649 1 20 . 1 1 56 56 GLU H H 56 7.646 7.646 8.255 -0.609 19840 5650 1 20 . 1 1 57 57 SER N N 57 109.621 109.621 119.563 -9.942 19840 5651 1 20 . 1 1 57 57 SER HA H 57 2.577 2.577 4.456 -1.879 19840 5652 1 20 . 1 1 57 57 SER CA C 57 57.073 57.073 56.984 0.089 19840 5653 1 20 . 1 1 57 57 SER CB C 57 64.367 64.367 65.341 -0.974 19840 5654 1 20 . 1 1 57 57 SER H H 57 7.939 7.939 8.487 -0.548 19840 5655 1 20 . 1 1 58 58 VAL N N 58 115.887 115.887 121.079 -5.192 19840 5656 1 20 . 1 1 58 58 VAL HA H 58 5.488 5.488 5.082 0.406 19840 5657 1 20 . 1 1 58 58 VAL CA C 58 57.914 57.914 59.958 -2.044 19840 5658 1 20 . 1 1 58 58 VAL CB C 58 34.794 34.794 34.341 0.453 19840 5659 1 20 . 1 1 58 58 VAL H H 58 7.721 7.721 8.266 -0.545 19840 5660 1 20 . 1 1 59 59 GLN N N 59 126.845 126.845 124.417 2.428 19840 5661 1 20 . 1 1 59 59 GLN HA H 59 4.669 4.669 4.543 0.126 19840 5662 1 20 . 1 1 59 59 GLN CA C 59 53.560 53.560 53.934 -0.373 19840 5663 1 20 . 1 1 59 59 GLN CB C 59 33.889 33.889 32.972 0.917 19840 5664 1 20 . 1 1 59 59 GLN H H 59 9.107 9.107 8.832 0.275 19840 5665 1 20 . 1 1 60 60 SER N N 60 119.479 119.479 117.607 1.872 19840 5666 1 20 . 1 1 60 60 SER HA H 60 4.768 4.768 4.796 -0.028 19840 5667 1 20 . 1 1 60 60 SER CA C 60 58.438 58.438 58.589 -0.151 19840 5668 1 20 . 1 1 60 60 SER CB C 60 63.484 63.484 63.370 0.114 19840 5669 1 20 . 1 1 60 60 SER H H 60 8.959 8.959 8.542 0.417 19840 5670 1 20 . 1 1 61 61 GLY N N 61 113.757 113.757 113.854 -0.097 19840 5671 1 20 . 1 1 61 61 GLY CA C 61 44.893 44.893 44.687 0.206 19840 5672 1 20 . 1 1 61 61 GLY H H 61 8.287 8.287 8.386 -0.099 19840 5673 1 20 . 1 1 62 62 GLY N N 62 108.329 108.329 107.542 0.787 19840 5674 1 20 . 1 1 62 62 GLY CA C 62 43.932 43.932 44.391 -0.459 19840 5675 1 20 . 1 1 62 62 GLY H H 62 7.868 7.868 7.439 0.429 19840 5676 1 20 . 1 1 63 63 ARG N N 63 122.424 122.424 120.239 2.185 19840 5677 1 20 . 1 1 63 63 ARG HA H 63 5.229 5.229 4.681 0.548 19840 5678 1 20 . 1 1 63 63 ARG CA C 63 54.037 54.037 55.340 -1.303 19840 5679 1 20 . 1 1 63 63 ARG CB C 63 31.849 31.849 32.330 -0.481 19840 5680 1 20 . 1 1 63 63 ARG H H 63 8.730 8.730 8.283 0.447 19840 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 59 3.500 0.180 3.525 19840 2 1 1 "Average Difference" HA 68 0.421 0.011 0.424 19840 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19840 4 1 1 "Average Difference" CA 60 1.554 0.456 1.499 19840 5 1 1 "Average Difference" CB 52 2.594 -0.356 2.595 19840 6 1 1 "Average Difference" HN 61 0.391 0.034 0.393 19840 7 1 2 "Average Difference" N 59 3.517 0.237 3.539 19840 8 1 2 "Average Difference" HA 68 0.384 -0.031 0.386 19840 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19840 10 1 2 "Average Difference" CA 60 1.553 0.413 1.510 19840 11 1 2 "Average Difference" CB 52 2.662 -0.407 2.656 19840 12 1 2 "Average Difference" HN 61 0.381 -0.014 0.384 19840 13 1 3 "Average Difference" N 59 3.099 0.124 3.123 19840 14 1 3 "Average Difference" HA 68 0.397 0.010 0.400 19840 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19840 16 1 3 "Average Difference" CA 60 1.476 0.360 1.444 19840 17 1 3 "Average Difference" CB 52 2.546 -0.335 2.548 19840 18 1 3 "Average Difference" HN 61 0.380 0.023 0.383 19840 19 1 4 "Average Difference" N 59 3.625 0.154 3.652 19840 20 1 4 "Average Difference" HA 68 0.414 0.014 0.417 19840 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19840 22 1 4 "Average Difference" CA 60 1.554 0.349 1.527 19840 23 1 4 "Average Difference" CB 52 2.515 -0.371 2.512 19840 24 1 4 "Average Difference" HN 61 0.377 0.002 0.380 19840 25 1 5 "Average Difference" N 59 3.334 0.201 3.357 19840 26 1 5 "Average Difference" HA 68 0.400 0.031 0.401 19840 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19840 28 1 5 "Average Difference" CA 60 1.479 0.349 1.449 19840 29 1 5 "Average Difference" CB 52 2.488 -0.391 2.481 19840 30 1 5 "Average Difference" HN 61 0.437 -0.005 0.441 19840 31 1 6 "Average Difference" N 59 3.677 0.647 3.651 19840 32 1 6 "Average Difference" HA 68 0.438 0.030 0.440 19840 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19840 34 1 6 "Average Difference" CA 60 1.483 0.345 1.455 19840 35 1 6 "Average Difference" CB 52 2.622 -0.475 2.604 19840 36 1 6 "Average Difference" HN 61 0.475 0.019 0.479 19840 37 1 7 "Average Difference" N 59 3.508 0.285 3.526 19840 38 1 7 "Average Difference" HA 68 0.420 0.029 0.423 19840 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19840 40 1 7 "Average Difference" CA 60 1.533 0.388 1.496 19840 41 1 7 "Average Difference" CB 52 2.548 -0.327 2.551 19840 42 1 7 "Average Difference" HN 61 0.422 0.041 0.423 19840 43 1 8 "Average Difference" N 59 3.299 0.372 3.306 19840 44 1 8 "Average Difference" HA 68 0.396 -0.003 0.399 19840 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19840 46 1 8 "Average Difference" CA 60 1.533 0.349 1.506 19840 47 1 8 "Average Difference" CB 52 2.531 -0.536 2.498 19840 48 1 8 "Average Difference" HN 61 0.428 0.015 0.431 19840 49 1 9 "Average Difference" N 59 3.579 0.366 3.590 19840 50 1 9 "Average Difference" HA 68 0.379 -0.010 0.382 19840 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19840 52 1 9 "Average Difference" CA 60 1.483 0.377 1.446 19840 53 1 9 "Average Difference" CB 52 2.650 -0.531 2.621 19840 54 1 9 "Average Difference" HN 61 0.433 0.019 0.436 19840 55 1 10 "Average Difference" N 59 3.438 0.275 3.457 19840 56 1 10 "Average Difference" HA 68 0.371 0.005 0.374 19840 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19840 58 1 10 "Average Difference" CA 60 1.496 0.318 1.475 19840 59 1 10 "Average Difference" CB 52 2.532 -0.339 2.533 19840 60 1 10 "Average Difference" HN 61 0.403 0.008 0.406 19840 61 1 11 "Average Difference" N 59 3.445 -0.054 3.474 19840 62 1 11 "Average Difference" HA 68 0.413 0.033 0.415 19840 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19840 64 1 11 "Average Difference" CA 60 1.565 0.316 1.545 19840 65 1 11 "Average Difference" CB 52 2.532 -0.407 2.523 19840 66 1 11 "Average Difference" HN 61 0.419 0.017 0.423 19840 67 1 12 "Average Difference" N 59 3.283 -0.115 3.309 19840 68 1 12 "Average Difference" HA 68 0.415 0.025 0.417 19840 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19840 70 1 12 "Average Difference" CA 60 1.547 0.329 1.524 19840 71 1 12 "Average Difference" CB 52 2.568 -0.240 2.582 19840 72 1 12 "Average Difference" HN 61 0.404 0.004 0.407 19840 73 1 13 "Average Difference" N 59 3.446 0.194 3.470 19840 74 1 13 "Average Difference" HA 68 0.410 0.022 0.413 19840 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19840 76 1 13 "Average Difference" CA 60 1.614 0.361 1.587 19840 77 1 13 "Average Difference" CB 52 2.457 -0.340 2.457 19840 78 1 13 "Average Difference" HN 61 0.427 0.037 0.429 19840 79 1 14 "Average Difference" N 59 3.567 -0.051 3.597 19840 80 1 14 "Average Difference" HA 68 0.414 0.014 0.417 19840 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19840 82 1 14 "Average Difference" CA 60 1.572 0.313 1.553 19840 83 1 14 "Average Difference" CB 52 2.517 -0.293 2.524 19840 84 1 14 "Average Difference" HN 61 0.423 0.020 0.426 19840 85 1 15 "Average Difference" N 59 3.287 0.512 3.275 19840 86 1 15 "Average Difference" HA 68 0.461 0.048 0.462 19840 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19840 88 1 15 "Average Difference" CA 60 1.396 0.322 1.370 19840 89 1 15 "Average Difference" CB 52 2.686 -0.598 2.644 19840 90 1 15 "Average Difference" HN 61 0.426 -0.010 0.430 19840 91 1 16 "Average Difference" N 59 3.707 0.266 3.729 19840 92 1 16 "Average Difference" HA 68 0.382 0.005 0.385 19840 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19840 94 1 16 "Average Difference" CA 60 1.641 0.338 1.619 19840 95 1 16 "Average Difference" CB 52 2.500 -0.447 2.484 19840 96 1 16 "Average Difference" HN 61 0.384 0.023 0.386 19840 97 1 17 "Average Difference" N 59 3.674 0.227 3.698 19840 98 1 17 "Average Difference" HA 68 0.441 0.009 0.444 19840 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19840 100 1 17 "Average Difference" CA 60 1.493 0.420 1.444 19840 101 1 17 "Average Difference" CB 52 2.674 -0.443 2.663 19840 102 1 17 "Average Difference" HN 61 0.443 0.021 0.446 19840 103 1 18 "Average Difference" N 59 3.978 0.282 4.002 19840 104 1 18 "Average Difference" HA 68 0.441 0.017 0.444 19840 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19840 106 1 18 "Average Difference" CA 60 1.569 0.287 1.556 19840 107 1 18 "Average Difference" CB 52 2.520 -0.436 2.506 19840 108 1 18 "Average Difference" HN 61 0.450 0.050 0.450 19840 109 1 19 "Average Difference" N 59 3.479 0.163 3.505 19840 110 1 19 "Average Difference" HA 68 0.424 0.024 0.427 19840 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19840 112 1 19 "Average Difference" CA 60 1.573 0.401 1.534 19840 113 1 19 "Average Difference" CB 52 2.577 -0.429 2.566 19840 114 1 19 "Average Difference" HN 61 0.411 0.031 0.414 19840 115 1 20 "Average Difference" N 59 3.603 0.336 3.618 19840 116 1 20 "Average Difference" HA 68 0.421 0.035 0.422 19840 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19840 118 1 20 "Average Difference" CA 60 1.564 0.304 1.547 19840 119 1 20 "Average Difference" CB 52 2.456 -0.398 2.447 19840 120 1 20 "Average Difference" HN 61 0.449 0.021 0.452 19840 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 19840 _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 CYS N N 2 119.737 119.737 117.868 1.869 19840 2 1 . 1 1 2 2 CYS HA H 2 5.082 5.082 5.235 -0.153 19840 3 1 . 1 1 2 2 CYS CA C 2 53.264 53.264 57.716 -4.452 19840 4 1 . 1 1 2 2 CYS CB C 2 39.218 39.218 31.588 7.630 19840 5 1 . 1 1 2 2 CYS H H 2 9.003 9.003 8.909 0.094 19840 6 1 . 1 1 3 3 VAL N N 3 126.716 126.716 120.117 6.599 19840 7 1 . 1 1 3 3 VAL HA H 3 4.177 4.177 4.399 -0.222 19840 8 1 . 1 1 3 3 VAL CA C 3 64.132 64.132 61.038 3.094 19840 9 1 . 1 1 3 3 VAL CB C 3 31.608 31.608 34.648 -3.040 19840 10 1 . 1 1 3 3 VAL H H 3 8.647 8.647 8.497 0.150 19840 11 1 . 1 1 4 4 ALA N N 4 134.327 134.327 129.019 5.308 19840 12 1 . 1 1 4 4 ALA HA H 4 4.773 4.773 4.800 -0.027 19840 13 1 . 1 1 4 4 ALA CA C 4 49.964 49.964 50.330 -0.366 19840 14 1 . 1 1 4 4 ALA CB C 4 22.047 22.047 21.930 0.117 19840 15 1 . 1 1 4 4 ALA H H 4 9.282 9.282 8.976 0.306 19840 16 1 . 1 1 5 5 ASN N N 5 119.560 119.560 120.624 -1.064 19840 17 1 . 1 1 5 5 ASN HA H 5 5.516 5.516 5.367 0.149 19840 18 1 . 1 1 5 5 ASN CA C 5 50.853 50.853 51.904 -1.051 19840 19 1 . 1 1 5 5 ASN CB C 5 40.194 40.194 43.014 -2.820 19840 20 1 . 1 1 5 5 ASN H H 5 8.760 8.760 8.644 0.116 19840 21 1 . 1 1 6 6 ILE N N 6 123.118 123.118 122.653 0.465 19840 22 1 . 1 1 6 6 ILE HA H 6 4.961 4.961 4.986 -0.025 19840 23 1 . 1 1 6 6 ILE CA C 6 57.398 57.398 59.535 -2.137 19840 24 1 . 1 1 6 6 ILE CB C 6 35.561 35.561 38.978 -3.417 19840 25 1 . 1 1 6 6 ILE H H 6 9.093 9.093 8.736 0.357 19840 26 1 . 1 1 7 7 LEU N N 7 128.607 128.607 126.270 2.337 19840 27 1 . 1 1 7 7 LEU HA H 7 5.399 5.399 5.055 0.344 19840 28 1 . 1 1 7 7 LEU CA C 7 52.382 52.382 53.454 -1.072 19840 29 1 . 1 1 7 7 LEU CB C 7 44.218 44.218 44.543 -0.325 19840 30 1 . 1 1 7 7 LEU H H 7 8.896 8.896 9.030 -0.134 19840 31 1 . 1 1 8 8 ASN N N 8 114.552 114.552 119.417 -4.865 19840 32 1 . 1 1 8 8 ASN HA H 8 4.847 4.847 4.867 -0.020 19840 33 1 . 1 1 8 8 ASN CA C 8 50.359 50.359 51.615 -1.257 19840 34 1 . 1 1 8 8 ASN CB C 8 39.476 39.476 39.158 0.318 19840 35 1 . 1 1 8 8 ASN H H 8 8.341 8.341 8.427 -0.086 19840 36 1 . 1 1 9 9 ILE N N 9 120.261 120.261 118.829 1.432 19840 37 1 . 1 1 9 9 ILE HA H 9 4.013 4.013 4.024 -0.011 19840 38 1 . 1 1 9 9 ILE CA C 9 63.509 63.509 63.395 0.114 19840 39 1 . 1 1 9 9 ILE CB C 9 38.538 38.538 37.943 0.595 19840 40 1 . 1 1 9 9 ILE H H 9 8.713 8.713 8.569 0.144 19840 41 1 . 1 1 10 10 ASN N N 10 117.798 117.798 116.453 1.345 19840 42 1 . 1 1 10 10 ASN HA H 10 4.897 4.897 4.752 0.145 19840 43 1 . 1 1 10 10 ASN CA C 10 52.939 52.939 52.854 0.085 19840 44 1 . 1 1 10 10 ASN CB C 10 38.741 38.741 38.778 -0.037 19840 45 1 . 1 1 10 10 ASN H H 10 7.242 7.242 8.040 -0.798 19840 46 1 . 1 1 11 11 GLU N N 11 112.166 112.166 114.844 -2.678 19840 47 1 . 1 1 11 11 GLU HA H 11 3.548 3.548 3.870 -0.322 19840 48 1 . 1 1 11 11 GLU CA C 11 58.111 58.111 57.527 0.584 19840 49 1 . 1 1 11 11 GLU CB C 11 25.932 25.932 26.941 -1.009 19840 50 1 . 1 1 11 11 GLU H H 11 8.242 8.242 8.141 0.101 19840 51 1 . 1 1 12 12 ALA N N 12 121.641 121.641 121.162 0.479 19840 52 1 . 1 1 12 12 ALA HA H 12 4.502 4.502 4.580 -0.078 19840 53 1 . 1 1 12 12 ALA CA C 12 50.413 50.413 50.745 -0.332 19840 54 1 . 1 1 12 12 ALA CB C 12 19.623 19.623 20.481 -0.858 19840 55 1 . 1 1 12 12 ALA H H 12 7.798 7.798 8.642 -0.844 19840 56 1 . 1 1 13 13 VAL N N 13 121.315 121.315 126.517 -5.202 19840 57 1 . 1 1 13 13 VAL HA H 13 4.076 4.076 3.991 0.085 19840 58 1 . 1 1 13 13 VAL CA C 13 63.484 63.484 64.379 -0.895 19840 59 1 . 1 1 13 13 VAL CB C 13 31.277 31.277 30.910 0.367 19840 60 1 . 1 1 13 13 VAL H H 13 8.512 8.512 8.809 -0.297 19840 61 1 . 1 1 14 14 ILE N N 14 121.921 121.921 123.494 -1.573 19840 62 1 . 1 1 14 14 ILE HA H 14 4.635 4.635 4.542 0.093 19840 63 1 . 1 1 14 14 ILE CA C 14 61.188 61.188 60.836 0.352 19840 64 1 . 1 1 14 14 ILE CB C 14 39.644 39.644 38.683 0.961 19840 65 1 . 1 1 14 14 ILE H H 14 9.293 9.293 9.043 0.250 19840 66 1 . 1 1 15 15 ALA N N 15 123.193 123.193 122.320 0.873 19840 67 1 . 1 1 15 15 ALA HA H 15 4.624 4.624 4.839 -0.215 19840 68 1 . 1 1 15 15 ALA CA C 15 52.546 52.546 51.289 1.257 19840 69 1 . 1 1 15 15 ALA CB C 15 22.693 22.693 22.140 0.553 19840 70 1 . 1 1 15 15 ALA H H 15 7.941 7.941 7.823 0.118 19840 71 1 . 1 1 16 16 THR N N 16 114.723 114.723 112.868 1.855 19840 72 1 . 1 1 16 16 THR HA H 16 5.738 5.738 5.445 0.293 19840 73 1 . 1 1 16 16 THR CA C 16 60.046 60.046 60.443 -0.397 19840 74 1 . 1 1 16 16 THR CB C 16 70.929 70.929 71.723 -0.794 19840 75 1 . 1 1 16 16 THR H H 16 8.582 8.582 8.551 0.031 19840 76 1 . 1 1 17 17 GLY N N 17 111.166 111.166 109.179 1.987 19840 77 1 . 1 1 17 17 GLY CA C 17 45.095 45.095 45.173 -0.078 19840 78 1 . 1 1 17 17 GLY H H 17 8.576 8.576 8.376 0.200 19840 79 1 . 1 1 18 18 CYS N N 18 121.493 121.493 120.278 1.215 19840 80 1 . 1 1 18 18 CYS HA H 18 4.930 4.930 4.915 0.014 19840 81 1 . 1 1 18 18 CYS CA C 18 53.999 53.999 57.624 -3.625 19840 82 1 . 1 1 18 18 CYS CB C 18 39.899 39.899 28.018 11.881 19840 83 1 . 1 1 18 18 CYS H H 18 8.622 8.622 8.499 0.123 19840 84 1 . 1 1 19 19 VAL N N 19 131.185 131.185 127.954 3.232 19840 85 1 . 1 1 19 19 VAL HA H 19 4.019 4.019 4.593 -0.574 19840 86 1 . 1 1 19 19 VAL CA C 19 59.537 59.537 59.001 0.536 19840 87 1 . 1 1 19 19 VAL CB C 19 33.825 33.825 34.587 -0.762 19840 88 1 . 1 1 19 19 VAL H H 19 9.414 9.414 9.042 0.372 19840 89 1 . 1 1 20 20 PRO HA H 20 4.012 4.012 4.500 -0.487 19840 90 1 . 1 1 20 20 PRO CA C 20 62.492 62.492 62.347 0.145 19840 91 1 . 1 1 20 20 PRO CB C 20 31.931 31.931 32.250 -0.319 19840 92 1 . 1 1 21 21 ALA N N 21 127.518 127.518 122.181 5.337 19840 93 1 . 1 1 21 21 ALA HA H 21 3.907 3.907 4.095 -0.188 19840 94 1 . 1 1 21 21 ALA CA C 21 53.558 53.558 52.294 1.264 19840 95 1 . 1 1 21 21 ALA CB C 21 17.717 17.717 18.725 -1.008 19840 96 1 . 1 1 21 21 ALA H H 21 8.147 8.147 8.150 -0.003 19840 97 1 . 1 1 22 22 GLY N N 22 114.819 114.819 112.709 2.110 19840 98 1 . 1 1 22 22 GLY CA C 22 46.038 46.038 45.374 0.664 19840 99 1 . 1 1 22 22 GLY H H 22 7.292 7.292 8.409 -1.118 19840 100 1 . 1 1 23 23 GLY N N 23 111.300 111.300 107.630 3.670 19840 101 1 . 1 1 23 23 GLY CA C 23 44.366 44.366 44.108 0.258 19840 102 1 . 1 1 23 23 GLY H H 23 8.204 8.204 7.737 0.467 19840 103 1 . 1 1 24 24 GLU N N 24 116.771 116.771 118.167 -1.396 19840 104 1 . 1 1 24 24 GLU HA H 24 5.594 5.594 5.097 0.497 19840 105 1 . 1 1 24 24 GLU CA C 24 53.749 53.749 55.484 -1.735 19840 106 1 . 1 1 24 24 GLU CB C 24 35.193 35.193 32.932 2.261 19840 107 1 . 1 1 24 24 GLU H H 24 8.131 8.131 8.276 -0.145 19840 108 1 . 1 1 25 25 LEU N N 25 121.029 121.029 122.432 -1.403 19840 109 1 . 1 1 25 25 LEU HA H 25 4.465 4.465 4.701 -0.236 19840 110 1 . 1 1 25 25 LEU CA C 25 54.586 54.586 54.162 0.423 19840 111 1 . 1 1 25 25 LEU CB C 25 49.054 49.054 46.748 2.306 19840 112 1 . 1 1 25 25 LEU H H 25 8.899 8.899 8.844 0.055 19840 113 1 . 1 1 26 26 ARG N N 26 128.131 128.131 124.073 4.058 19840 114 1 . 1 1 26 26 ARG HA H 26 4.864 4.864 4.666 0.198 19840 115 1 . 1 1 26 26 ARG CA C 26 55.359 55.359 55.585 -0.226 19840 116 1 . 1 1 26 26 ARG CB C 26 29.623 29.623 30.790 -1.167 19840 117 1 . 1 1 26 26 ARG H H 26 8.604 8.604 8.489 0.115 19840 118 1 . 1 1 27 27 ILE N N 27 129.246 129.246 126.109 3.136 19840 119 1 . 1 1 27 27 ILE HA H 27 4.202 4.202 3.966 0.236 19840 120 1 . 1 1 27 27 ILE CA C 27 60.765 60.765 59.971 0.794 19840 121 1 . 1 1 27 27 ILE CB C 27 40.383 40.383 40.645 -0.262 19840 122 1 . 1 1 27 27 ILE H H 27 9.029 9.029 8.551 0.478 19840 123 1 . 1 1 28 28 PHE N N 28 127.383 127.383 124.369 3.014 19840 124 1 . 1 1 28 28 PHE HA H 28 3.968 3.968 4.871 -0.903 19840 125 1 . 1 1 28 28 PHE CA C 28 58.921 58.921 56.471 2.450 19840 126 1 . 1 1 28 28 PHE CB C 28 39.444 39.444 38.811 0.633 19840 127 1 . 1 1 28 28 PHE H H 28 8.885 8.885 8.119 0.766 19840 128 1 . 1 1 29 29 VAL N N 29 124.164 124.164 123.612 0.552 19840 129 1 . 1 1 29 29 VAL HA H 29 3.887 3.887 4.418 -0.531 19840 130 1 . 1 1 29 29 VAL CA C 29 61.099 61.099 61.070 0.029 19840 131 1 . 1 1 29 29 VAL CB C 29 30.194 30.194 32.017 -1.823 19840 132 1 . 1 1 29 29 VAL H H 29 8.396 8.396 8.398 -0.002 19840 133 1 . 1 1 30 30 GLY N N 30 113.336 113.336 114.763 -1.427 19840 134 1 . 1 1 30 30 GLY CA C 30 46.252 46.252 45.330 0.922 19840 135 1 . 1 1 30 30 GLY H H 30 8.376 8.376 8.328 0.048 19840 136 1 . 1 1 31 31 SER H H 31 8.290 8.290 8.589 -0.299 19840 137 1 . 1 1 32 32 SER N N 32 114.602 114.602 115.316 -0.714 19840 138 1 . 1 1 32 32 SER HA H 32 4.572 4.572 4.495 0.077 19840 139 1 . 1 1 32 32 SER CA C 32 59.632 59.632 58.658 0.974 19840 140 1 . 1 1 32 32 SER CB C 32 64.882 64.882 63.934 0.948 19840 141 1 . 1 1 32 32 SER H H 32 8.344 8.344 8.185 0.159 19840 142 1 . 1 1 33 33 HIS N N 33 114.790 114.790 120.107 -5.317 19840 143 1 . 1 1 33 33 HIS HA H 33 4.881 4.881 4.754 0.127 19840 144 1 . 1 1 33 33 HIS CA C 33 55.139 55.139 55.555 -0.416 19840 145 1 . 1 1 33 33 HIS CB C 33 29.454 29.454 31.876 -2.422 19840 146 1 . 1 1 33 33 HIS H H 33 7.586 7.586 7.926 -0.340 19840 147 1 . 1 1 34 34 SER N N 34 112.452 112.452 115.974 -3.522 19840 148 1 . 1 1 34 34 SER HA H 34 4.651 4.651 5.224 -0.574 19840 149 1 . 1 1 34 34 SER CA C 34 56.296 56.296 57.427 -1.131 19840 150 1 . 1 1 34 34 SER CB C 34 66.406 66.406 66.208 0.198 19840 151 1 . 1 1 34 34 SER H H 34 8.169 8.169 8.313 -0.144 19840 152 1 . 1 1 35 35 TYR N N 35 116.118 116.118 119.909 -3.791 19840 153 1 . 1 1 35 35 TYR HA H 35 5.047 5.047 4.786 0.261 19840 154 1 . 1 1 35 35 TYR CA C 35 55.601 55.601 57.482 -1.881 19840 155 1 . 1 1 35 35 TYR CB C 35 43.070 43.070 42.511 0.559 19840 156 1 . 1 1 35 35 TYR H H 35 8.493 8.493 8.831 -0.338 19840 157 1 . 1 1 36 36 LEU N N 36 125.430 125.430 125.840 -0.410 19840 158 1 . 1 1 36 36 LEU HA H 36 4.565 4.565 4.733 -0.168 19840 159 1 . 1 1 36 36 LEU CA C 36 53.796 53.796 54.848 -1.052 19840 160 1 . 1 1 36 36 LEU CB C 36 41.810 41.810 43.312 -1.502 19840 161 1 . 1 1 36 36 LEU H H 36 8.476 8.476 8.883 -0.407 19840 162 1 . 1 1 37 37 ILE N N 37 129.763 129.763 126.754 3.009 19840 163 1 . 1 1 37 37 ILE HA H 37 4.607 4.607 4.575 0.032 19840 164 1 . 1 1 37 37 ILE CA C 37 57.337 57.337 58.790 -1.453 19840 165 1 . 1 1 37 37 ILE CB C 37 37.601 37.601 38.969 -1.368 19840 166 1 . 1 1 37 37 ILE H H 37 8.512 8.512 9.138 -0.626 19840 167 1 . 1 1 38 38 LYS N N 38 125.927 125.927 127.562 -1.635 19840 168 1 . 1 1 38 38 LYS HA H 38 4.958 4.958 4.928 0.030 19840 169 1 . 1 1 38 38 LYS CA C 38 54.054 54.054 54.546 -0.492 19840 170 1 . 1 1 38 38 LYS CB C 38 34.807 34.807 34.891 -0.084 19840 171 1 . 1 1 38 38 LYS H H 38 8.849 8.849 9.021 -0.172 19840 172 1 . 1 1 39 39 ALA N N 39 124.260 124.260 129.982 -5.722 19840 173 1 . 1 1 39 39 ALA HA H 39 5.671 5.671 5.214 0.457 19840 174 1 . 1 1 39 39 ALA CA C 39 49.202 49.202 50.137 -0.935 19840 175 1 . 1 1 39 39 ALA CB C 39 23.170 23.170 20.823 2.347 19840 176 1 . 1 1 39 39 ALA H H 39 8.498 8.498 8.766 -0.268 19840 177 1 . 1 1 40 40 THR N N 40 112.492 112.492 117.717 -5.225 19840 178 1 . 1 1 40 40 THR HA H 40 4.651 4.651 4.452 0.199 19840 179 1 . 1 1 40 40 THR CA C 40 60.482 60.482 60.891 -0.409 19840 180 1 . 1 1 40 40 THR CB C 40 71.335 71.335 69.865 1.470 19840 181 1 . 1 1 40 40 THR H H 40 8.996 8.996 8.290 0.706 19840 182 1 . 1 1 41 41 SER H H 41 8.288 8.288 8.668 -0.380 19840 183 1 . 1 1 42 42 SER N N 42 113.261 113.261 114.960 -1.699 19840 184 1 . 1 1 42 42 SER HA H 42 4.636 4.636 4.569 0.067 19840 185 1 . 1 1 42 42 SER CA C 42 57.101 57.101 57.998 -0.897 19840 186 1 . 1 1 42 42 SER CB C 42 62.842 62.842 63.383 -0.541 19840 187 1 . 1 1 42 42 SER H H 42 7.629 7.629 7.807 -0.178 19840 188 1 . 1 1 43 43 CYS N N 43 111.527 111.527 117.882 -6.355 19840 189 1 . 1 1 43 43 CYS HA H 43 4.311 4.311 4.139 0.172 19840 190 1 . 1 1 43 43 CYS CA C 43 54.093 54.093 59.594 -5.501 19840 191 1 . 1 1 43 43 CYS CB C 43 32.030 32.030 25.409 6.621 19840 192 1 . 1 1 43 43 CYS H H 43 8.008 8.008 8.021 -0.013 19840 193 1 . 1 1 44 44 GLY N N 44 107.262 107.262 107.320 -0.058 19840 194 1 . 1 1 44 44 GLY CA C 44 45.585 45.585 44.685 0.900 19840 195 1 . 1 1 44 44 GLY H H 44 8.222 8.222 7.956 0.266 19840 196 1 . 1 1 45 45 LEU N N 45 127.185 127.185 125.846 1.339 19840 197 1 . 1 1 45 45 LEU HA H 45 5.586 5.586 5.277 0.309 19840 198 1 . 1 1 45 45 LEU CA C 45 53.741 53.741 54.604 -0.863 19840 199 1 . 1 1 45 45 LEU CB C 45 44.311 44.311 43.231 1.080 19840 200 1 . 1 1 45 45 LEU H H 45 8.684 8.684 8.413 0.271 19840 201 1 . 1 1 46 46 SER N N 46 114.241 114.241 115.791 -1.550 19840 202 1 . 1 1 46 46 SER HA H 46 4.595 4.595 4.558 0.037 19840 203 1 . 1 1 46 46 SER CA C 46 57.466 57.466 57.747 -0.281 19840 204 1 . 1 1 46 46 SER CB C 46 65.844 65.844 65.107 0.737 19840 205 1 . 1 1 46 46 SER H H 46 8.856 8.856 8.131 0.725 19840 206 1 . 1 1 47 47 LEU N N 47 120.302 120.302 123.631 -3.329 19840 207 1 . 1 1 47 47 LEU HA H 47 4.756 4.756 4.799 -0.043 19840 208 1 . 1 1 47 47 LEU CA C 47 53.725 53.725 55.182 -1.457 19840 209 1 . 1 1 47 47 LEU CB C 47 43.078 43.078 43.297 -0.219 19840 210 1 . 1 1 47 47 LEU H H 47 8.482 8.482 8.613 -0.131 19840 211 1 . 1 1 48 48 THR N N 48 119.533 119.533 117.069 2.464 19840 212 1 . 1 1 48 48 THR HA H 48 4.211 4.211 4.405 -0.194 19840 213 1 . 1 1 48 48 THR CA C 48 63.095 63.095 61.902 1.193 19840 214 1 . 1 1 48 48 THR CB C 48 69.170 69.170 68.663 0.506 19840 215 1 . 1 1 48 48 THR H H 48 8.472 8.472 8.574 -0.102 19840 216 1 . 1 1 49 49 ASN N N 49 120.348 120.348 121.338 -0.990 19840 217 1 . 1 1 49 49 ASN HA H 49 4.511 4.511 4.416 0.095 19840 218 1 . 1 1 49 49 ASN CA C 49 53.577 53.577 54.571 -0.994 19840 219 1 . 1 1 49 49 ASN CB C 49 37.381 37.381 38.174 -0.793 19840 220 1 . 1 1 49 49 ASN H H 49 8.967 8.967 8.664 0.303 19840 221 1 . 1 1 50 50 GLN N N 50 114.907 114.907 116.809 -1.902 19840 222 1 . 1 1 50 50 GLN HA H 50 4.672 4.672 4.529 0.143 19840 223 1 . 1 1 50 50 GLN CA C 50 54.515 54.515 54.963 -0.447 19840 224 1 . 1 1 50 50 GLN CB C 50 34.947 34.947 31.765 3.182 19840 225 1 . 1 1 50 50 GLN H H 50 7.207 7.207 7.965 -0.758 19840 226 1 . 1 1 51 51 VAL N N 51 112.350 112.350 115.875 -3.525 19840 227 1 . 1 1 51 51 VAL HA H 51 4.430 4.430 4.559 -0.129 19840 228 1 . 1 1 51 51 VAL CA C 51 59.441 59.441 59.949 -0.508 19840 229 1 . 1 1 51 51 VAL CB C 51 34.108 34.108 33.646 0.462 19840 230 1 . 1 1 51 51 VAL H H 51 7.575 7.575 8.183 -0.608 19840 231 1 . 1 1 52 52 PHE N N 52 119.853 119.853 120.351 -0.498 19840 232 1 . 1 1 52 52 PHE HA H 52 4.422 4.422 4.654 -0.232 19840 233 1 . 1 1 52 52 PHE CA C 52 60.310 60.310 57.083 3.227 19840 234 1 . 1 1 52 52 PHE CB C 52 40.650 40.650 40.384 0.266 19840 235 1 . 1 1 52 52 PHE H H 52 8.221 8.221 8.162 0.059 19840 236 1 . 1 1 53 53 ILE N N 53 116.505 116.505 117.470 -0.965 19840 237 1 . 1 1 53 53 ILE HA H 53 4.688 4.688 4.393 0.295 19840 238 1 . 1 1 53 53 ILE CA C 53 59.582 59.582 60.181 -0.599 19840 239 1 . 1 1 53 53 ILE CB C 53 41.131 41.131 41.178 -0.047 19840 240 1 . 1 1 53 53 ILE H H 53 8.436 8.436 8.208 0.228 19840 241 1 . 1 1 54 54 ASN N N 54 113.329 113.329 119.472 -6.143 19840 242 1 . 1 1 54 54 ASN HA H 54 4.351 4.351 4.438 -0.087 19840 243 1 . 1 1 54 54 ASN CA C 54 54.129 54.129 54.045 0.084 19840 244 1 . 1 1 54 54 ASN CB C 54 37.453 37.453 37.477 -0.024 19840 245 1 . 1 1 54 54 ASN H H 54 8.889 8.889 9.111 -0.222 19840 246 1 . 1 1 55 55 GLY N N 55 107.928 107.928 101.440 6.488 19840 247 1 . 1 1 55 55 GLY CA C 55 46.132 46.132 45.595 0.537 19840 248 1 . 1 1 55 55 GLY H H 55 8.911 8.911 8.484 0.427 19840 249 1 . 1 1 56 56 GLU N N 56 119.227 119.227 120.720 -1.493 19840 250 1 . 1 1 56 56 GLU HA H 56 4.590 4.590 4.711 -0.121 19840 251 1 . 1 1 56 56 GLU CA C 56 55.616 55.616 56.462 -0.846 19840 252 1 . 1 1 56 56 GLU CB C 56 30.193 30.193 31.120 -0.928 19840 253 1 . 1 1 56 56 GLU H H 56 7.646 7.646 8.020 -0.374 19840 254 1 . 1 1 57 57 SER N N 57 109.621 109.621 117.699 -8.078 19840 255 1 . 1 1 57 57 SER HA H 57 2.577 2.577 4.425 -1.848 19840 256 1 . 1 1 57 57 SER CA C 57 57.073 57.073 56.832 0.241 19840 257 1 . 1 1 57 57 SER CB C 57 64.367 64.367 65.526 -1.159 19840 258 1 . 1 1 57 57 SER H H 57 7.939 7.939 8.491 -0.552 19840 259 1 . 1 1 58 58 VAL N N 58 115.887 115.887 118.250 -2.363 19840 260 1 . 1 1 58 58 VAL HA H 58 5.488 5.488 5.137 0.351 19840 261 1 . 1 1 58 58 VAL CA C 58 57.914 57.914 59.939 -2.026 19840 262 1 . 1 1 58 58 VAL CB C 58 34.794 34.794 34.344 0.450 19840 263 1 . 1 1 58 58 VAL H H 58 7.721 7.721 8.175 -0.455 19840 264 1 . 1 1 59 59 GLN N N 59 126.845 126.845 124.115 2.730 19840 265 1 . 1 1 59 59 GLN HA H 59 4.669 4.669 4.661 0.008 19840 266 1 . 1 1 59 59 GLN CA C 59 53.560 53.560 53.830 -0.269 19840 267 1 . 1 1 59 59 GLN CB C 59 33.889 33.889 33.384 0.505 19840 268 1 . 1 1 59 59 GLN H H 59 9.107 9.107 8.904 0.203 19840 269 1 . 1 1 60 60 SER N N 60 119.479 119.479 119.052 0.427 19840 270 1 . 1 1 60 60 SER HA H 60 4.768 4.768 4.867 -0.099 19840 271 1 . 1 1 60 60 SER CA C 60 58.438 58.438 57.795 0.643 19840 272 1 . 1 1 60 60 SER CB C 60 63.484 63.484 63.206 0.278 19840 273 1 . 1 1 60 60 SER H H 60 8.959 8.959 8.698 0.261 19840 274 1 . 1 1 61 61 GLY N N 61 113.757 113.757 112.153 1.604 19840 275 1 . 1 1 61 61 GLY CA C 61 44.893 44.893 45.463 -0.570 19840 276 1 . 1 1 61 61 GLY H H 61 8.287 8.287 8.372 -0.085 19840 277 1 . 1 1 62 62 GLY N N 62 108.329 108.329 107.446 0.883 19840 278 1 . 1 1 62 62 GLY CA C 62 43.932 43.932 44.424 -0.492 19840 279 1 . 1 1 62 62 GLY H H 62 7.868 7.868 7.469 0.399 19840 280 1 . 1 1 63 63 ARG N N 63 122.424 122.424 120.920 1.504 19840 281 1 . 1 1 63 63 ARG HA H 63 5.229 5.229 4.766 0.463 19840 282 1 . 1 1 63 63 ARG CA C 63 54.037 54.037 54.948 -0.911 19840 283 1 . 1 1 63 63 ARG CB C 63 31.849 31.849 31.301 0.548 19840 284 1 . 1 1 63 63 ARG H H 63 8.730 8.730 8.232 0.498 19840 stop_ save_