data_25143 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25143 _Entry.PDB_ID 2MSZ 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 25143 _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 50 50 GLU N N 50 120.583 120.583 120.348 0.235 25143 2 1 1 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.474 -0.306 25143 3 1 1 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.577 0.247 25143 4 1 1 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.573 -0.855 25143 5 1 1 . 1 1 50 50 GLU H H 50 8.300 8.300 8.407 -0.107 25143 6 1 1 . 1 1 51 51 GLU N N 51 121.142 121.142 122.295 -1.153 25143 7 1 1 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.709 -0.585 25143 8 1 1 . 1 1 51 51 GLU CA C 51 56.362 56.362 55.652 0.710 25143 9 1 1 . 1 1 51 51 GLU CB C 51 29.727 29.727 30.801 -1.074 25143 10 1 1 . 1 1 51 51 GLU H H 51 8.140 8.140 8.408 -0.268 25143 11 1 1 . 1 1 52 52 PHE N N 52 120.500 120.500 119.844 0.656 25143 12 1 1 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.688 -0.173 25143 13 1 1 . 1 1 52 52 PHE CA C 52 57.409 57.409 57.451 -0.042 25143 14 1 1 . 1 1 52 52 PHE CB C 52 39.326 39.326 40.392 -1.066 25143 15 1 1 . 1 1 52 52 PHE H H 52 8.106 8.106 8.450 -0.344 25143 16 1 1 . 1 1 53 53 GLN N N 53 121.616 121.616 122.806 -1.190 25143 17 1 1 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.244 -0.032 25143 18 1 1 . 1 1 53 53 GLN CA C 53 55.345 55.345 54.237 1.108 25143 19 1 1 . 1 1 53 53 GLN CB C 53 29.357 29.357 31.864 -2.507 25143 20 1 1 . 1 1 53 53 GLN H H 53 8.047 8.047 7.300 0.748 25143 21 1 1 . 1 1 54 54 PHE N N 54 120.217 120.217 121.228 -1.011 25143 22 1 1 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.923 -0.275 25143 23 1 1 . 1 1 54 54 PHE CA C 54 56.824 56.824 57.519 -0.695 25143 24 1 1 . 1 1 54 54 PHE CB C 54 39.522 39.522 39.431 0.091 25143 25 1 1 . 1 1 54 54 PHE H H 54 7.956 7.956 8.628 -0.672 25143 26 1 1 . 1 1 55 55 LEU N N 55 123.391 123.391 126.185 -2.794 25143 27 1 1 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.673 -0.287 25143 28 1 1 . 1 1 55 55 LEU CA C 55 54.421 54.421 55.668 -1.247 25143 29 1 1 . 1 1 55 55 LEU CB C 55 43.024 43.024 43.904 -0.880 25143 30 1 1 . 1 1 55 55 LEU H H 55 8.567 8.567 8.601 -0.034 25143 31 1 1 . 1 1 56 56 ARG N N 56 120.442 120.442 122.047 -1.605 25143 32 1 1 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.617 -0.048 25143 33 1 1 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.609 -0.056 25143 34 1 1 . 1 1 56 56 ARG CB C 56 31.817 31.817 32.236 -0.419 25143 35 1 1 . 1 1 56 56 ARG H H 56 8.101 8.101 8.162 -0.061 25143 36 1 1 . 1 1 57 57 CYS N N 57 123.891 123.891 120.316 3.575 25143 37 1 1 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.480 -0.527 25143 38 1 1 . 1 1 57 57 CYS CA C 57 59.135 59.135 58.652 0.483 25143 39 1 1 . 1 1 57 57 CYS CB C 57 31.290 31.290 29.712 1.579 25143 40 1 1 . 1 1 57 57 CYS H H 57 8.828 8.828 8.284 0.544 25143 41 1 1 . 1 1 58 58 GLN N N 58 128.172 128.172 128.760 -0.588 25143 42 1 1 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.154 -0.033 25143 43 1 1 . 1 1 58 58 GLN CA C 58 58.528 58.528 58.407 0.121 25143 44 1 1 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.641 1.309 25143 45 1 1 . 1 1 58 58 GLN H H 58 9.222 9.222 8.605 0.617 25143 46 1 1 . 1 1 59 59 GLN N N 59 121.709 121.709 117.947 3.762 25143 47 1 1 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.278 0.311 25143 48 1 1 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.785 -0.176 25143 49 1 1 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.174 0.543 25143 50 1 1 . 1 1 59 59 GLN H H 59 9.200 9.200 8.351 0.849 25143 51 1 1 . 1 1 60 60 CYS N N 60 119.482 119.482 116.307 3.175 25143 52 1 1 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.735 0.059 25143 53 1 1 . 1 1 60 60 CYS CA C 60 59.458 59.458 58.630 0.828 25143 54 1 1 . 1 1 60 60 CYS CB C 60 32.179 32.179 29.982 2.197 25143 55 1 1 . 1 1 60 60 CYS H H 60 8.566 8.566 7.471 1.095 25143 56 1 1 . 1 1 61 61 GLN N N 61 115.153 115.153 118.716 -3.563 25143 57 1 1 . 1 1 61 61 GLN HA H 61 4.153 4.153 4.038 0.115 25143 58 1 1 . 1 1 61 61 GLN CA C 61 57.979 57.979 57.092 0.887 25143 59 1 1 . 1 1 61 61 GLN CB C 61 25.342 25.342 27.035 -1.693 25143 60 1 1 . 1 1 61 61 GLN H H 61 7.672 7.672 8.369 -0.697 25143 61 1 1 . 1 1 62 62 ALA N N 62 124.669 124.669 119.311 5.358 25143 62 1 1 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.663 -0.226 25143 63 1 1 . 1 1 62 62 ALA CA C 62 52.064 52.064 50.712 1.352 25143 64 1 1 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.523 -0.701 25143 65 1 1 . 1 1 62 62 ALA H H 62 8.728 8.728 7.464 1.264 25143 66 1 1 . 1 1 63 63 GLU N N 63 119.649 119.649 120.489 -0.840 25143 67 1 1 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.195 -0.158 25143 68 1 1 . 1 1 63 63 GLU CA C 63 57.332 57.332 56.936 0.396 25143 69 1 1 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.729 -0.467 25143 70 1 1 . 1 1 63 63 GLU H H 63 8.523 8.523 8.625 -0.102 25143 71 1 1 . 1 1 64 64 ALA N N 64 128.762 128.762 128.183 0.579 25143 72 1 1 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.298 0.088 25143 73 1 1 . 1 1 64 64 ALA CA C 64 50.354 50.354 52.215 -1.861 25143 74 1 1 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.427 -1.092 25143 75 1 1 . 1 1 64 64 ALA H H 64 8.581 8.581 8.519 0.062 25143 76 1 1 . 1 1 65 65 LYS N N 65 122.223 122.223 123.681 -1.458 25143 77 1 1 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.028 0.053 25143 78 1 1 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.588 -1.533 25143 79 1 1 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.806 -0.500 25143 80 1 1 . 1 1 65 65 LYS H H 65 8.175 8.175 8.602 -0.427 25143 81 1 1 . 1 1 66 66 CYS N N 66 117.296 117.296 115.289 2.007 25143 82 1 1 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.766 -0.075 25143 83 1 1 . 1 1 66 66 CYS CA C 66 53.727 53.727 55.745 -2.018 25143 84 1 1 . 1 1 66 66 CYS H H 66 8.790 8.790 7.797 0.993 25143 85 1 1 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.403 -0.006 25143 86 1 1 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.932 -0.103 25143 87 1 1 . 1 1 67 67 PRO CB C 67 31.785 31.785 30.958 0.827 25143 88 1 1 . 1 1 68 68 LYS N N 68 121.724 121.724 125.032 -3.308 25143 89 1 1 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.577 -0.292 25143 90 1 1 . 1 1 68 68 LYS CA C 68 54.929 54.929 54.861 0.068 25143 91 1 1 . 1 1 68 68 LYS CB C 68 33.327 33.327 32.617 0.710 25143 92 1 1 . 1 1 68 68 LYS H H 68 8.662 8.662 7.963 0.699 25143 93 1 1 . 1 1 69 69 LEU N N 69 125.851 125.851 124.617 1.234 25143 94 1 1 . 1 1 69 69 LEU HA H 69 4.474 4.474 5.022 -0.548 25143 95 1 1 . 1 1 69 69 LEU CA C 69 54.454 54.454 54.593 -0.139 25143 96 1 1 . 1 1 69 69 LEU CB C 69 41.720 41.720 43.323 -1.603 25143 97 1 1 . 1 1 69 69 LEU H H 69 8.320 8.320 8.232 0.088 25143 98 1 1 . 1 1 70 70 LEU N N 70 128.488 128.488 122.216 6.272 25143 99 1 1 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.924 -0.276 25143 100 1 1 . 1 1 70 70 LEU CA C 70 53.127 53.127 52.101 1.026 25143 101 1 1 . 1 1 70 70 LEU CB C 70 42.832 42.832 43.135 -0.303 25143 102 1 1 . 1 1 70 70 LEU H H 70 8.677 8.677 7.973 0.704 25143 103 1 1 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.375 -0.099 25143 104 1 1 . 1 1 71 71 PRO CA C 71 64.790 64.790 65.007 -0.217 25143 105 1 1 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.779 -0.319 25143 106 1 1 . 1 1 72 72 CYS N N 72 112.135 112.135 118.042 -5.907 25143 107 1 1 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.590 -0.316 25143 108 1 1 . 1 1 72 72 CYS CA C 72 57.194 57.194 58.632 -1.438 25143 109 1 1 . 1 1 72 72 CYS CB C 72 31.085 31.085 27.251 3.834 25143 110 1 1 . 1 1 72 72 CYS H H 72 7.204 7.204 7.931 -0.727 25143 111 1 1 . 1 1 73 73 LEU N N 73 114.341 114.341 120.481 -6.140 25143 112 1 1 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.985 -0.117 25143 113 1 1 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.705 0.795 25143 114 1 1 . 1 1 73 73 LEU CB C 73 37.671 37.671 38.676 -1.005 25143 115 1 1 . 1 1 73 73 LEU H H 73 8.043 8.043 7.555 0.488 25143 116 1 1 . 1 1 74 74 HIS N N 74 120.386 120.386 116.870 3.516 25143 117 1 1 . 1 1 74 74 HIS HA H 74 4.990 4.990 4.824 0.166 25143 118 1 1 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.977 3.695 25143 119 1 1 . 1 1 74 74 HIS CB C 74 31.354 31.354 34.636 -3.282 25143 120 1 1 . 1 1 74 74 HIS H H 74 7.831 7.831 7.595 0.236 25143 121 1 1 . 1 1 75 75 THR N N 75 118.963 118.963 118.831 0.132 25143 122 1 1 . 1 1 75 75 THR HA H 75 4.730 4.730 4.493 0.237 25143 123 1 1 . 1 1 75 75 THR CA C 75 62.185 62.185 62.171 0.014 25143 124 1 1 . 1 1 75 75 THR CB C 75 69.640 69.640 69.353 0.287 25143 125 1 1 . 1 1 75 75 THR H H 75 8.889 8.889 8.563 0.326 25143 126 1 1 . 1 1 76 76 LEU N N 76 128.330 128.330 127.528 0.802 25143 127 1 1 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.915 1.018 25143 128 1 1 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.477 -1.968 25143 129 1 1 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.392 -1.198 25143 130 1 1 . 1 1 76 76 LEU H H 76 8.767 8.767 8.344 0.423 25143 131 1 1 . 1 1 77 77 CYS N N 77 119.360 119.360 116.344 3.016 25143 132 1 1 . 1 1 77 77 CYS HA H 77 4.732 4.732 5.326 -0.594 25143 133 1 1 . 1 1 77 77 CYS CA C 77 56.870 56.870 55.307 1.563 25143 134 1 1 . 1 1 77 77 CYS CB C 77 31.698 31.698 30.371 1.327 25143 135 1 1 . 1 1 77 77 CYS H H 77 9.510 9.510 8.230 1.280 25143 136 1 1 . 1 1 78 78 SER N N 78 114.841 114.841 117.469 -2.628 25143 137 1 1 . 1 1 78 78 SER HA H 78 4.037 4.037 4.090 -0.053 25143 138 1 1 . 1 1 78 78 SER CA C 78 61.756 61.756 62.525 -0.769 25143 139 1 1 . 1 1 78 78 SER CB C 78 62.254 62.254 62.866 -0.612 25143 140 1 1 . 1 1 78 78 SER H H 78 8.593 8.593 9.010 -0.417 25143 141 1 1 . 1 1 79 79 GLY N N 79 111.904 111.904 110.605 1.299 25143 142 1 1 . 1 1 79 79 GLY CA C 79 46.777 46.777 47.124 -0.347 25143 143 1 1 . 1 1 79 79 GLY H H 79 8.391 8.391 8.818 -0.427 25143 144 1 1 . 1 1 80 80 CYS N N 80 126.807 126.807 120.432 6.375 25143 145 1 1 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.237 -0.283 25143 146 1 1 . 1 1 80 80 CYS CA C 80 65.189 65.189 62.142 3.047 25143 147 1 1 . 1 1 80 80 CYS CB C 80 28.846 28.846 26.666 2.180 25143 148 1 1 . 1 1 80 80 CYS H H 80 9.039 9.039 7.458 1.581 25143 149 1 1 . 1 1 81 81 LEU N N 81 120.440 120.440 123.346 -2.906 25143 150 1 1 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.227 -0.095 25143 151 1 1 . 1 1 81 81 LEU CA C 81 57.443 57.443 58.338 -0.895 25143 152 1 1 . 1 1 81 81 LEU CB C 81 41.782 41.782 42.201 -0.419 25143 153 1 1 . 1 1 81 81 LEU H H 81 8.109 8.109 8.094 0.015 25143 154 1 1 . 1 1 82 82 GLU N N 82 120.149 120.149 117.427 2.722 25143 155 1 1 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.042 -0.005 25143 156 1 1 . 1 1 82 82 GLU CA C 82 59.319 59.319 58.937 0.382 25143 157 1 1 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.434 -0.507 25143 158 1 1 . 1 1 82 82 GLU H H 82 8.432 8.432 8.245 0.187 25143 159 1 1 . 1 1 83 83 ALA N N 83 120.334 120.334 121.800 -1.466 25143 160 1 1 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.276 0.023 25143 161 1 1 . 1 1 83 83 ALA CA C 83 53.543 53.543 53.660 -0.117 25143 162 1 1 . 1 1 83 83 ALA CB C 83 18.334 18.334 19.569 -1.235 25143 163 1 1 . 1 1 83 83 ALA H H 83 7.715 7.715 7.476 0.239 25143 164 1 1 . 1 1 84 84 SER N N 84 112.368 112.368 113.516 -1.148 25143 165 1 1 . 1 1 84 84 SER HA H 84 4.494 4.494 4.713 -0.219 25143 166 1 1 . 1 1 84 84 SER CA C 84 58.210 58.210 56.818 1.392 25143 167 1 1 . 1 1 84 84 SER CB C 84 63.837 63.837 63.321 0.517 25143 168 1 1 . 1 1 84 84 SER H H 84 7.570 7.570 8.181 -0.611 25143 169 1 1 . 1 1 85 85 GLY N N 85 110.612 110.612 111.083 -0.471 25143 170 1 1 . 1 1 85 85 GLY CA C 85 46.841 46.841 45.584 1.257 25143 171 1 1 . 1 1 85 85 GLY H H 85 7.955 7.955 7.851 0.104 25143 172 1 1 . 1 1 86 86 MET N N 86 113.856 113.856 119.472 -5.616 25143 173 1 1 . 1 1 86 86 MET HA H 86 3.804 3.804 4.544 -0.740 25143 174 1 1 . 1 1 86 86 MET CA C 86 55.160 55.160 55.522 -0.362 25143 175 1 1 . 1 1 86 86 MET CB C 86 28.494 28.494 31.740 -3.246 25143 176 1 1 . 1 1 86 86 MET H H 86 8.489 8.489 8.177 0.312 25143 177 1 1 . 1 1 87 87 GLN N N 87 116.394 116.394 119.645 -3.251 25143 178 1 1 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.425 0.024 25143 179 1 1 . 1 1 87 87 GLN CA C 87 53.404 53.404 55.230 -1.826 25143 180 1 1 . 1 1 87 87 GLN CB C 87 30.964 30.964 31.770 -0.806 25143 181 1 1 . 1 1 87 87 GLN H H 87 7.188 7.188 7.522 -0.334 25143 182 1 1 . 1 1 88 88 CYS N N 88 124.484 124.484 121.294 3.190 25143 183 1 1 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.750 -0.450 25143 184 1 1 . 1 1 88 88 CYS CA C 88 57.101 57.101 55.199 1.902 25143 185 1 1 . 1 1 88 88 CYS CB C 88 31.117 31.117 27.107 4.010 25143 186 1 1 . 1 1 88 88 CYS H H 88 8.616 8.616 8.610 0.006 25143 187 1 1 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.369 0.140 25143 188 1 1 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.386 -0.671 25143 189 1 1 . 1 1 89 89 PRO CB C 89 31.717 31.717 32.311 -0.594 25143 190 1 1 . 1 1 90 90 ILE N N 90 123.484 123.484 117.821 5.663 25143 191 1 1 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.786 -0.003 25143 192 1 1 . 1 1 90 90 ILE CA C 90 62.878 62.878 64.357 -1.479 25143 193 1 1 . 1 1 90 90 ILE CB C 90 37.483 37.483 37.569 -0.085 25143 194 1 1 . 1 1 90 90 ILE H H 90 8.908 8.908 7.933 0.975 25143 195 1 1 . 1 1 91 91 CYS N N 91 120.890 120.890 114.654 6.236 25143 196 1 1 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.181 0.336 25143 197 1 1 . 1 1 91 91 CYS CA C 91 60.891 60.891 60.771 0.120 25143 198 1 1 . 1 1 91 91 CYS CB C 91 31.244 31.244 28.026 3.218 25143 199 1 1 . 1 1 91 91 CYS H H 91 8.587 8.587 7.525 1.062 25143 200 1 1 . 1 1 92 92 GLN N N 92 116.563 116.563 119.369 -2.806 25143 201 1 1 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.191 -0.059 25143 202 1 1 . 1 1 92 92 GLN CA C 92 56.824 56.824 57.418 -0.594 25143 203 1 1 . 1 1 92 92 GLN CB C 92 27.216 27.216 29.122 -1.906 25143 204 1 1 . 1 1 92 92 GLN H H 92 7.787 7.787 7.703 0.084 25143 205 1 1 . 1 1 93 93 ALA N N 93 125.273 125.273 123.781 1.492 25143 206 1 1 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.296 0.265 25143 207 1 1 . 1 1 93 93 ALA CA C 93 50.862 50.862 51.231 -0.369 25143 208 1 1 . 1 1 93 93 ALA CB C 93 18.415 18.415 18.721 -0.306 25143 209 1 1 . 1 1 93 93 ALA H H 93 8.031 8.031 7.547 0.484 25143 210 1 1 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.430 0.108 25143 211 1 1 . 1 1 94 94 PRO CA C 94 62.513 62.513 63.250 -0.737 25143 212 1 1 . 1 1 94 94 PRO CB C 94 31.684 31.684 31.396 0.288 25143 213 1 1 . 1 1 95 95 TRP N N 95 121.986 121.986 127.480 -5.494 25143 214 1 1 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.878 0.164 25143 215 1 1 . 1 1 95 95 TRP CA C 95 54.005 54.005 55.406 -1.401 25143 216 1 1 . 1 1 95 95 TRP CB C 95 28.846 28.846 30.375 -1.530 25143 217 1 1 . 1 1 95 95 TRP H H 95 8.012 8.012 8.566 -0.554 25143 218 1 1 . 1 1 96 96 PRO CA C 96 62.690 62.690 62.903 -0.213 25143 219 1 1 . 1 1 96 96 PRO CB C 96 31.770 31.770 33.426 -1.656 25143 220 1 1 . 1 1 97 97 LEU N N 97 122.075 122.075 118.671 3.404 25143 221 1 1 . 1 1 97 97 LEU HA H 97 4.299 4.299 4.594 -0.295 25143 222 1 1 . 1 1 97 97 LEU CA C 97 55.206 55.206 54.953 0.253 25143 223 1 1 . 1 1 97 97 LEU CB C 97 42.046 42.046 43.647 -1.601 25143 224 1 1 . 1 1 97 97 LEU H H 97 8.145 8.145 7.994 0.151 25143 225 1 1 . 1 1 98 98 GLY N N 98 110.020 110.020 107.732 2.288 25143 226 1 1 . 1 1 98 98 GLY CA C 98 45.085 45.085 44.976 0.109 25143 227 1 1 . 1 1 98 98 GLY H H 98 8.444 8.444 8.344 0.100 25143 228 1 1 . 1 1 99 99 ALA N N 99 123.511 123.511 124.820 -1.309 25143 229 1 1 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.097 0.202 25143 230 1 1 . 1 1 99 99 ALA CA C 99 52.249 52.249 52.060 0.189 25143 231 1 1 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.393 -0.457 25143 232 1 1 . 1 1 99 99 ALA H H 99 8.176 8.176 8.112 0.064 25143 233 1 1 . 1 1 100 100 ASP N N 100 119.098 119.098 121.200 -2.102 25143 234 1 1 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.548 0.013 25143 235 1 1 . 1 1 100 100 ASP CA C 100 53.912 53.912 54.691 -0.779 25143 236 1 1 . 1 1 100 100 ASP CB C 100 40.580 40.580 41.379 -0.799 25143 237 1 1 . 1 1 100 100 ASP H H 100 8.383 8.383 8.386 -0.003 25143 238 1 1 . 1 1 101 101 THR N N 101 116.696 116.696 118.500 -1.804 25143 239 1 1 . 1 1 101 101 THR HA H 101 4.517 4.517 4.678 -0.161 25143 240 1 1 . 1 1 101 101 THR CA C 101 59.551 59.551 60.609 -1.058 25143 241 1 1 . 1 1 101 101 THR CB C 101 69.589 69.589 68.453 1.137 25143 242 1 1 . 1 1 101 101 THR H H 101 8.017 8.017 8.103 -0.086 25143 243 1 1 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.501 -0.165 25143 244 1 1 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.589 0.295 25143 245 1 1 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.363 -0.596 25143 246 1 1 . 1 1 103 103 ALA N N 103 125.184 125.184 121.716 3.468 25143 247 1 1 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.646 -0.361 25143 248 1 1 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.836 0.181 25143 249 1 1 . 1 1 103 103 ALA CB C 103 18.974 18.974 20.326 -1.353 25143 250 1 1 . 1 1 103 103 ALA H H 103 8.333 8.333 8.355 -0.022 25143 251 1 2 . 1 1 50 50 GLU N N 50 120.583 120.583 123.299 -2.716 25143 252 1 2 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.655 -0.487 25143 253 1 2 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.211 0.614 25143 254 1 2 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.739 -1.021 25143 255 1 2 . 1 1 50 50 GLU H H 50 8.300 8.300 8.499 -0.199 25143 256 1 2 . 1 1 51 51 GLU N N 51 121.142 121.142 122.412 -1.270 25143 257 1 2 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.417 -0.293 25143 258 1 2 . 1 1 51 51 GLU CA C 51 56.362 56.362 56.257 0.105 25143 259 1 2 . 1 1 51 51 GLU CB C 51 29.727 29.727 30.325 -0.598 25143 260 1 2 . 1 1 51 51 GLU H H 51 8.140 8.140 8.696 -0.556 25143 261 1 2 . 1 1 52 52 PHE N N 52 120.500 120.500 121.275 -0.775 25143 262 1 2 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.661 -0.146 25143 263 1 2 . 1 1 52 52 PHE CA C 52 57.409 57.409 58.441 -1.032 25143 264 1 2 . 1 1 52 52 PHE CB C 52 39.326 39.326 39.511 -0.185 25143 265 1 2 . 1 1 52 52 PHE H H 52 8.106 8.106 8.634 -0.528 25143 266 1 2 . 1 1 53 53 GLN N N 53 121.616 121.616 117.998 3.618 25143 267 1 2 . 1 1 53 53 GLN HA H 53 4.212 4.212 3.858 0.354 25143 268 1 2 . 1 1 53 53 GLN CA C 53 55.345 55.345 55.016 0.329 25143 269 1 2 . 1 1 53 53 GLN CB C 53 29.357 29.357 30.483 -1.126 25143 270 1 2 . 1 1 53 53 GLN H H 53 8.047 8.047 7.774 0.273 25143 271 1 2 . 1 1 54 54 PHE N N 54 120.217 120.217 118.664 1.553 25143 272 1 2 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.780 -0.132 25143 273 1 2 . 1 1 54 54 PHE CA C 54 56.824 56.824 57.092 -0.267 25143 274 1 2 . 1 1 54 54 PHE CB C 54 39.522 39.522 39.973 -0.451 25143 275 1 2 . 1 1 54 54 PHE H H 54 7.956 7.956 7.615 0.341 25143 276 1 2 . 1 1 55 55 LEU N N 55 123.391 123.391 123.140 0.251 25143 277 1 2 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.687 -0.301 25143 278 1 2 . 1 1 55 55 LEU CA C 55 54.421 54.421 55.526 -1.105 25143 279 1 2 . 1 1 55 55 LEU CB C 55 43.024 43.024 44.920 -1.896 25143 280 1 2 . 1 1 55 55 LEU H H 55 8.567 8.567 8.603 -0.036 25143 281 1 2 . 1 1 56 56 ARG N N 56 120.442 120.442 123.831 -3.389 25143 282 1 2 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.639 -0.070 25143 283 1 2 . 1 1 56 56 ARG CA C 56 54.553 54.553 55.059 -0.506 25143 284 1 2 . 1 1 56 56 ARG CB C 56 31.817 31.817 33.182 -1.365 25143 285 1 2 . 1 1 56 56 ARG H H 56 8.101 8.101 8.324 -0.223 25143 286 1 2 . 1 1 57 57 CYS N N 57 123.891 123.891 120.524 3.367 25143 287 1 2 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.526 -0.573 25143 288 1 2 . 1 1 57 57 CYS CA C 57 59.135 59.135 58.105 1.030 25143 289 1 2 . 1 1 57 57 CYS CB C 57 31.290 31.290 29.276 2.014 25143 290 1 2 . 1 1 57 57 CYS H H 57 8.828 8.828 8.490 0.338 25143 291 1 2 . 1 1 58 58 GLN N N 58 128.172 128.172 127.048 1.124 25143 292 1 2 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.211 -0.090 25143 293 1 2 . 1 1 58 58 GLN CA C 58 58.528 58.528 57.937 0.591 25143 294 1 2 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.474 1.476 25143 295 1 2 . 1 1 58 58 GLN H H 58 9.222 9.222 8.740 0.482 25143 296 1 2 . 1 1 59 59 GLN N N 59 121.709 121.709 116.519 5.190 25143 297 1 2 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.347 0.242 25143 298 1 2 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.327 0.282 25143 299 1 2 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.433 0.284 25143 300 1 2 . 1 1 59 59 GLN H H 59 9.200 9.200 7.795 1.405 25143 301 1 2 . 1 1 60 60 CYS N N 60 119.482 119.482 118.413 1.069 25143 302 1 2 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.638 0.156 25143 303 1 2 . 1 1 60 60 CYS CA C 60 59.458 59.458 58.993 0.465 25143 304 1 2 . 1 1 60 60 CYS CB C 60 32.179 32.179 29.164 3.015 25143 305 1 2 . 1 1 60 60 CYS H H 60 8.566 8.566 7.406 1.160 25143 306 1 2 . 1 1 61 61 GLN N N 61 115.153 115.153 118.223 -3.070 25143 307 1 2 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.960 0.193 25143 308 1 2 . 1 1 61 61 GLN CA C 61 57.979 57.979 57.035 0.944 25143 309 1 2 . 1 1 61 61 GLN CB C 61 25.342 25.342 26.759 -1.417 25143 310 1 2 . 1 1 61 61 GLN H H 61 7.672 7.672 8.242 -0.570 25143 311 1 2 . 1 1 62 62 ALA N N 62 124.669 124.669 121.210 3.459 25143 312 1 2 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.434 0.003 25143 313 1 2 . 1 1 62 62 ALA CA C 62 52.064 52.064 51.356 0.708 25143 314 1 2 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.008 -0.186 25143 315 1 2 . 1 1 62 62 ALA H H 62 8.728 8.728 7.640 1.088 25143 316 1 2 . 1 1 63 63 GLU N N 63 119.649 119.649 119.918 -0.269 25143 317 1 2 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.101 -0.064 25143 318 1 2 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.209 0.123 25143 319 1 2 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.680 -0.418 25143 320 1 2 . 1 1 63 63 GLU H H 63 8.523 8.523 8.463 0.060 25143 321 1 2 . 1 1 64 64 ALA N N 64 128.762 128.762 128.095 0.667 25143 322 1 2 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.403 -0.017 25143 323 1 2 . 1 1 64 64 ALA CA C 64 50.354 50.354 51.625 -1.271 25143 324 1 2 . 1 1 64 64 ALA CB C 64 18.335 18.335 18.826 -0.491 25143 325 1 2 . 1 1 64 64 ALA H H 64 8.581 8.581 8.299 0.282 25143 326 1 2 . 1 1 65 65 LYS N N 65 122.223 122.223 122.456 -0.233 25143 327 1 2 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.046 0.035 25143 328 1 2 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.051 -0.996 25143 329 1 2 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.558 -0.252 25143 330 1 2 . 1 1 65 65 LYS H H 65 8.175 8.175 8.442 -0.267 25143 331 1 2 . 1 1 66 66 CYS N N 66 117.296 117.296 119.061 -1.765 25143 332 1 2 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.761 -0.069 25143 333 1 2 . 1 1 66 66 CYS CA C 66 53.727 53.727 55.974 -2.247 25143 334 1 2 . 1 1 66 66 CYS H H 66 8.790 8.790 7.718 1.072 25143 335 1 2 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.605 -0.208 25143 336 1 2 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.742 0.087 25143 337 1 2 . 1 1 67 67 PRO CB C 67 31.785 31.785 30.026 1.759 25143 338 1 2 . 1 1 68 68 LYS N N 68 121.724 121.724 123.376 -1.652 25143 339 1 2 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.240 0.045 25143 340 1 2 . 1 1 68 68 LYS CA C 68 54.929 54.929 56.557 -1.628 25143 341 1 2 . 1 1 68 68 LYS CB C 68 33.327 33.327 33.233 0.094 25143 342 1 2 . 1 1 68 68 LYS H H 68 8.662 8.662 8.243 0.419 25143 343 1 2 . 1 1 69 69 LEU N N 69 125.851 125.851 124.672 1.179 25143 344 1 2 . 1 1 69 69 LEU HA H 69 4.474 4.474 5.137 -0.663 25143 345 1 2 . 1 1 69 69 LEU CA C 69 54.454 54.454 53.883 0.571 25143 346 1 2 . 1 1 69 69 LEU CB C 69 41.720 41.720 43.732 -2.012 25143 347 1 2 . 1 1 69 69 LEU H H 69 8.320 8.320 8.317 0.003 25143 348 1 2 . 1 1 70 70 LEU N N 70 128.488 128.488 122.856 5.632 25143 349 1 2 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.927 -0.279 25143 350 1 2 . 1 1 70 70 LEU CA C 70 53.127 53.127 51.868 1.259 25143 351 1 2 . 1 1 70 70 LEU CB C 70 42.832 42.832 42.789 0.043 25143 352 1 2 . 1 1 70 70 LEU H H 70 8.677 8.677 8.113 0.564 25143 353 1 2 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.484 -0.208 25143 354 1 2 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.867 -0.077 25143 355 1 2 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.895 -0.435 25143 356 1 2 . 1 1 72 72 CYS N N 72 112.135 112.135 118.481 -6.346 25143 357 1 2 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.607 -0.333 25143 358 1 2 . 1 1 72 72 CYS CA C 72 57.194 57.194 57.870 -0.676 25143 359 1 2 . 1 1 72 72 CYS CB C 72 31.085 31.085 27.518 3.567 25143 360 1 2 . 1 1 72 72 CYS H H 72 7.204 7.204 7.761 -0.557 25143 361 1 2 . 1 1 73 73 LEU N N 73 114.341 114.341 121.763 -7.422 25143 362 1 2 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.993 -0.125 25143 363 1 2 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.907 0.593 25143 364 1 2 . 1 1 73 73 LEU CB C 73 37.671 37.671 38.866 -1.195 25143 365 1 2 . 1 1 73 73 LEU H H 73 8.043 8.043 7.665 0.378 25143 366 1 2 . 1 1 74 74 HIS N N 74 120.386 120.386 117.650 2.736 25143 367 1 2 . 1 1 74 74 HIS HA H 74 4.990 4.990 4.916 0.074 25143 368 1 2 . 1 1 74 74 HIS CA C 74 58.672 58.672 55.084 3.588 25143 369 1 2 . 1 1 74 74 HIS CB C 74 31.354 31.354 34.624 -3.270 25143 370 1 2 . 1 1 74 74 HIS H H 74 7.831 7.831 7.810 0.021 25143 371 1 2 . 1 1 75 75 THR N N 75 118.963 118.963 118.529 0.434 25143 372 1 2 . 1 1 75 75 THR HA H 75 4.730 4.730 4.574 0.156 25143 373 1 2 . 1 1 75 75 THR CA C 75 62.185 62.185 62.859 -0.674 25143 374 1 2 . 1 1 75 75 THR CB C 75 69.640 69.640 69.474 0.166 25143 375 1 2 . 1 1 75 75 THR H H 75 8.889 8.889 8.772 0.117 25143 376 1 2 . 1 1 76 76 LEU N N 76 128.330 128.330 127.334 0.996 25143 377 1 2 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.796 1.137 25143 378 1 2 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.708 -2.199 25143 379 1 2 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.249 -1.055 25143 380 1 2 . 1 1 76 76 LEU H H 76 8.767 8.767 8.413 0.354 25143 381 1 2 . 1 1 77 77 CYS N N 77 119.360 119.360 115.686 3.674 25143 382 1 2 . 1 1 77 77 CYS HA H 77 4.732 4.732 5.479 -0.747 25143 383 1 2 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.399 0.471 25143 384 1 2 . 1 1 77 77 CYS CB C 77 31.698 31.698 31.412 0.286 25143 385 1 2 . 1 1 77 77 CYS H H 77 9.510 9.510 8.122 1.388 25143 386 1 2 . 1 1 78 78 SER N N 78 114.841 114.841 117.123 -2.282 25143 387 1 2 . 1 1 78 78 SER HA H 78 4.037 4.037 4.188 -0.151 25143 388 1 2 . 1 1 78 78 SER CA C 78 61.756 61.756 61.589 0.167 25143 389 1 2 . 1 1 78 78 SER CB C 78 62.254 62.254 62.845 -0.591 25143 390 1 2 . 1 1 78 78 SER H H 78 8.593 8.593 8.424 0.169 25143 391 1 2 . 1 1 79 79 GLY N N 79 111.904 111.904 109.539 2.365 25143 392 1 2 . 1 1 79 79 GLY CA C 79 46.777 46.777 47.021 -0.244 25143 393 1 2 . 1 1 79 79 GLY H H 79 8.391 8.391 8.723 -0.332 25143 394 1 2 . 1 1 80 80 CYS N N 80 126.807 126.807 120.934 5.873 25143 395 1 2 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.320 -0.366 25143 396 1 2 . 1 1 80 80 CYS CA C 80 65.189 65.189 61.521 3.668 25143 397 1 2 . 1 1 80 80 CYS CB C 80 28.846 28.846 26.541 2.305 25143 398 1 2 . 1 1 80 80 CYS H H 80 9.039 9.039 7.467 1.572 25143 399 1 2 . 1 1 81 81 LEU N N 81 120.440 120.440 122.863 -2.423 25143 400 1 2 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.197 -0.065 25143 401 1 2 . 1 1 81 81 LEU CA C 81 57.443 57.443 58.404 -0.961 25143 402 1 2 . 1 1 81 81 LEU CB C 81 41.782 41.782 42.205 -0.423 25143 403 1 2 . 1 1 81 81 LEU H H 81 8.109 8.109 7.725 0.384 25143 404 1 2 . 1 1 82 82 GLU N N 82 120.149 120.149 117.517 2.632 25143 405 1 2 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.072 -0.035 25143 406 1 2 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.274 0.045 25143 407 1 2 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.573 -0.646 25143 408 1 2 . 1 1 82 82 GLU H H 82 8.432 8.432 7.922 0.510 25143 409 1 2 . 1 1 83 83 ALA N N 83 120.334 120.334 120.657 -0.323 25143 410 1 2 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.395 -0.096 25143 411 1 2 . 1 1 83 83 ALA CA C 83 53.543 53.543 54.155 -0.612 25143 412 1 2 . 1 1 83 83 ALA CB C 83 18.334 18.334 19.489 -1.155 25143 413 1 2 . 1 1 83 83 ALA H H 83 7.715 7.715 7.566 0.149 25143 414 1 2 . 1 1 84 84 SER N N 84 112.368 112.368 113.055 -0.687 25143 415 1 2 . 1 1 84 84 SER HA H 84 4.494 4.494 4.683 -0.189 25143 416 1 2 . 1 1 84 84 SER CA C 84 58.210 58.210 57.523 0.687 25143 417 1 2 . 1 1 84 84 SER CB C 84 63.837 63.837 63.535 0.302 25143 418 1 2 . 1 1 84 84 SER H H 84 7.570 7.570 8.335 -0.765 25143 419 1 2 . 1 1 85 85 GLY N N 85 110.612 110.612 110.594 0.018 25143 420 1 2 . 1 1 85 85 GLY CA C 85 46.841 46.841 45.110 1.731 25143 421 1 2 . 1 1 85 85 GLY H H 85 7.955 7.955 7.597 0.358 25143 422 1 2 . 1 1 86 86 MET N N 86 113.856 113.856 120.710 -6.854 25143 423 1 2 . 1 1 86 86 MET HA H 86 3.804 3.804 4.551 -0.747 25143 424 1 2 . 1 1 86 86 MET CA C 86 55.160 55.160 55.454 -0.294 25143 425 1 2 . 1 1 86 86 MET CB C 86 28.494 28.494 31.897 -3.403 25143 426 1 2 . 1 1 86 86 MET H H 86 8.489 8.489 8.352 0.137 25143 427 1 2 . 1 1 87 87 GLN N N 87 116.394 116.394 118.485 -2.091 25143 428 1 2 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.393 0.056 25143 429 1 2 . 1 1 87 87 GLN CA C 87 53.404 53.404 54.775 -1.371 25143 430 1 2 . 1 1 87 87 GLN CB C 87 30.964 30.964 31.433 -0.469 25143 431 1 2 . 1 1 87 87 GLN H H 87 7.188 7.188 7.270 -0.082 25143 432 1 2 . 1 1 88 88 CYS N N 88 124.484 124.484 120.181 4.303 25143 433 1 2 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.781 -0.481 25143 434 1 2 . 1 1 88 88 CYS CA C 88 57.101 57.101 55.033 2.068 25143 435 1 2 . 1 1 88 88 CYS CB C 88 31.117 31.117 28.986 2.131 25143 436 1 2 . 1 1 88 88 CYS H H 88 8.616 8.616 8.590 0.026 25143 437 1 2 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.358 0.151 25143 438 1 2 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.546 -0.831 25143 439 1 2 . 1 1 89 89 PRO CB C 89 31.717 31.717 32.043 -0.326 25143 440 1 2 . 1 1 90 90 ILE N N 90 123.484 123.484 116.850 6.634 25143 441 1 2 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.741 0.042 25143 442 1 2 . 1 1 90 90 ILE CA C 90 62.878 62.878 64.318 -1.440 25143 443 1 2 . 1 1 90 90 ILE CB C 90 37.483 37.483 37.754 -0.271 25143 444 1 2 . 1 1 90 90 ILE H H 90 8.908 8.908 8.152 0.755 25143 445 1 2 . 1 1 91 91 CYS N N 91 120.890 120.890 113.132 7.758 25143 446 1 2 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.397 0.120 25143 447 1 2 . 1 1 91 91 CYS CA C 91 60.891 60.891 57.998 2.893 25143 448 1 2 . 1 1 91 91 CYS CB C 91 31.244 31.244 29.852 1.391 25143 449 1 2 . 1 1 91 91 CYS H H 91 8.587 8.587 7.531 1.056 25143 450 1 2 . 1 1 92 92 GLN N N 92 116.563 116.563 119.923 -3.360 25143 451 1 2 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.249 -0.117 25143 452 1 2 . 1 1 92 92 GLN CA C 92 56.824 56.824 57.174 -0.350 25143 453 1 2 . 1 1 92 92 GLN CB C 92 27.216 27.216 29.254 -2.038 25143 454 1 2 . 1 1 92 92 GLN H H 92 7.787 7.787 7.606 0.181 25143 455 1 2 . 1 1 93 93 ALA N N 93 125.273 125.273 124.014 1.259 25143 456 1 2 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.201 0.360 25143 457 1 2 . 1 1 93 93 ALA CA C 93 50.862 50.862 51.139 -0.277 25143 458 1 2 . 1 1 93 93 ALA CB C 93 18.415 18.415 18.372 0.043 25143 459 1 2 . 1 1 93 93 ALA H H 93 8.031 8.031 7.575 0.456 25143 460 1 2 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.421 0.117 25143 461 1 2 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.145 0.368 25143 462 1 2 . 1 1 94 94 PRO CB C 94 31.684 31.684 32.074 -0.390 25143 463 1 2 . 1 1 95 95 TRP N N 95 121.986 121.986 121.787 0.199 25143 464 1 2 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.912 0.130 25143 465 1 2 . 1 1 95 95 TRP CA C 95 54.005 54.005 54.760 -0.755 25143 466 1 2 . 1 1 95 95 TRP CB C 95 28.846 28.846 28.779 0.067 25143 467 1 2 . 1 1 95 95 TRP H H 95 8.012 8.012 7.808 0.204 25143 468 1 2 . 1 1 96 96 PRO CA C 96 62.690 62.690 64.709 -2.019 25143 469 1 2 . 1 1 96 96 PRO CB C 96 31.770 31.770 32.155 -0.385 25143 470 1 2 . 1 1 97 97 LEU N N 97 122.075 122.075 116.133 5.942 25143 471 1 2 . 1 1 97 97 LEU HA H 97 4.299 4.299 4.882 -0.583 25143 472 1 2 . 1 1 97 97 LEU CA C 97 55.206 55.206 54.929 0.277 25143 473 1 2 . 1 1 97 97 LEU CB C 97 42.046 42.046 41.769 0.277 25143 474 1 2 . 1 1 97 97 LEU H H 97 8.145 8.145 7.644 0.501 25143 475 1 2 . 1 1 98 98 GLY N N 98 110.020 110.020 110.400 -0.380 25143 476 1 2 . 1 1 98 98 GLY CA C 98 45.085 45.085 44.403 0.682 25143 477 1 2 . 1 1 98 98 GLY H H 98 8.444 8.444 8.445 -0.001 25143 478 1 2 . 1 1 99 99 ALA N N 99 123.511 123.511 121.506 2.005 25143 479 1 2 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.004 0.295 25143 480 1 2 . 1 1 99 99 ALA CA C 99 52.249 52.249 52.318 -0.069 25143 481 1 2 . 1 1 99 99 ALA CB C 99 18.936 18.936 18.646 0.290 25143 482 1 2 . 1 1 99 99 ALA H H 99 8.176 8.176 8.082 0.094 25143 483 1 2 . 1 1 100 100 ASP N N 100 119.098 119.098 120.195 -1.097 25143 484 1 2 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.601 -0.040 25143 485 1 2 . 1 1 100 100 ASP CA C 100 53.912 53.912 54.533 -0.621 25143 486 1 2 . 1 1 100 100 ASP CB C 100 40.580 40.580 41.453 -0.873 25143 487 1 2 . 1 1 100 100 ASP H H 100 8.383 8.383 8.278 0.105 25143 488 1 2 . 1 1 101 101 THR N N 101 116.696 116.696 115.733 0.963 25143 489 1 2 . 1 1 101 101 THR HA H 101 4.517 4.517 4.770 -0.253 25143 490 1 2 . 1 1 101 101 THR CA C 101 59.551 59.551 59.191 0.360 25143 491 1 2 . 1 1 101 101 THR CB C 101 69.589 69.589 69.373 0.216 25143 492 1 2 . 1 1 101 101 THR H H 101 8.017 8.017 8.067 -0.050 25143 493 1 2 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.550 -0.214 25143 494 1 2 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.623 0.261 25143 495 1 2 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.261 -0.494 25143 496 1 2 . 1 1 103 103 ALA N N 103 125.184 125.184 123.345 1.839 25143 497 1 2 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.486 -0.201 25143 498 1 2 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.971 0.046 25143 499 1 2 . 1 1 103 103 ALA CB C 103 18.974 18.974 19.045 -0.071 25143 500 1 2 . 1 1 103 103 ALA H H 103 8.333 8.333 8.288 0.045 25143 501 1 3 . 1 1 50 50 GLU N N 50 120.583 120.583 122.909 -2.326 25143 502 1 3 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.428 -0.260 25143 503 1 3 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.336 0.488 25143 504 1 3 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.747 -1.029 25143 505 1 3 . 1 1 50 50 GLU H H 50 8.300 8.300 8.392 -0.092 25143 506 1 3 . 1 1 51 51 GLU N N 51 121.142 121.142 120.761 0.381 25143 507 1 3 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.356 -0.232 25143 508 1 3 . 1 1 51 51 GLU CA C 51 56.362 56.362 55.842 0.520 25143 509 1 3 . 1 1 51 51 GLU CB C 51 29.727 29.727 31.093 -1.366 25143 510 1 3 . 1 1 51 51 GLU H H 51 8.140 8.140 8.245 -0.105 25143 511 1 3 . 1 1 52 52 PHE N N 52 120.500 120.500 120.546 -0.046 25143 512 1 3 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.672 -0.157 25143 513 1 3 . 1 1 52 52 PHE CA C 52 57.409 57.409 57.543 -0.134 25143 514 1 3 . 1 1 52 52 PHE CB C 52 39.326 39.326 39.867 -0.541 25143 515 1 3 . 1 1 52 52 PHE H H 52 8.106 8.106 8.350 -0.244 25143 516 1 3 . 1 1 53 53 GLN N N 53 121.616 121.616 120.214 1.402 25143 517 1 3 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.596 -0.384 25143 518 1 3 . 1 1 53 53 GLN CA C 53 55.345 55.345 54.901 0.444 25143 519 1 3 . 1 1 53 53 GLN CB C 53 29.357 29.357 30.818 -1.461 25143 520 1 3 . 1 1 53 53 GLN H H 53 8.047 8.047 7.879 0.168 25143 521 1 3 . 1 1 54 54 PHE N N 54 120.217 120.217 120.458 -0.241 25143 522 1 3 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.667 -0.019 25143 523 1 3 . 1 1 54 54 PHE CA C 54 56.824 56.824 57.800 -0.976 25143 524 1 3 . 1 1 54 54 PHE CB C 54 39.522 39.522 39.719 -0.197 25143 525 1 3 . 1 1 54 54 PHE H H 54 7.956 7.956 8.586 -0.630 25143 526 1 3 . 1 1 55 55 LEU N N 55 123.391 123.391 123.342 0.049 25143 527 1 3 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.794 -0.408 25143 528 1 3 . 1 1 55 55 LEU CA C 55 54.421 54.421 54.239 0.182 25143 529 1 3 . 1 1 55 55 LEU CB C 55 43.024 43.024 44.322 -1.298 25143 530 1 3 . 1 1 55 55 LEU H H 55 8.567 8.567 8.674 -0.107 25143 531 1 3 . 1 1 56 56 ARG N N 56 120.442 120.442 121.112 -0.670 25143 532 1 3 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.611 -0.042 25143 533 1 3 . 1 1 56 56 ARG CA C 56 54.553 54.553 55.435 -0.882 25143 534 1 3 . 1 1 56 56 ARG CB C 56 31.817 31.817 32.842 -1.025 25143 535 1 3 . 1 1 56 56 ARG H H 56 8.101 8.101 8.541 -0.440 25143 536 1 3 . 1 1 57 57 CYS N N 57 123.891 123.891 127.159 -3.268 25143 537 1 3 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.291 -0.338 25143 538 1 3 . 1 1 57 57 CYS CA C 57 59.135 59.135 60.781 -1.646 25143 539 1 3 . 1 1 57 57 CYS CB C 57 31.290 31.290 30.035 1.255 25143 540 1 3 . 1 1 57 57 CYS H H 57 8.828 8.828 9.002 -0.174 25143 541 1 3 . 1 1 58 58 GLN N N 58 128.172 128.172 128.599 -0.427 25143 542 1 3 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.106 0.015 25143 543 1 3 . 1 1 58 58 GLN CA C 58 58.528 58.528 58.566 -0.038 25143 544 1 3 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.644 1.306 25143 545 1 3 . 1 1 58 58 GLN H H 58 9.222 9.222 8.732 0.490 25143 546 1 3 . 1 1 59 59 GLN N N 59 121.709 121.709 118.429 3.280 25143 547 1 3 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.256 0.333 25143 548 1 3 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.574 0.035 25143 549 1 3 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.252 0.465 25143 550 1 3 . 1 1 59 59 GLN H H 59 9.200 9.200 8.233 0.967 25143 551 1 3 . 1 1 60 60 CYS N N 60 119.482 119.482 116.037 3.445 25143 552 1 3 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.644 0.150 25143 553 1 3 . 1 1 60 60 CYS CA C 60 59.458 59.458 58.349 1.109 25143 554 1 3 . 1 1 60 60 CYS CB C 60 32.179 32.179 30.084 2.095 25143 555 1 3 . 1 1 60 60 CYS H H 60 8.566 8.566 7.395 1.171 25143 556 1 3 . 1 1 61 61 GLN N N 61 115.153 115.153 117.537 -2.384 25143 557 1 3 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.999 0.154 25143 558 1 3 . 1 1 61 61 GLN CA C 61 57.979 57.979 57.081 0.898 25143 559 1 3 . 1 1 61 61 GLN CB C 61 25.342 25.342 27.439 -2.097 25143 560 1 3 . 1 1 61 61 GLN H H 61 7.672 7.672 8.340 -0.668 25143 561 1 3 . 1 1 62 62 ALA N N 62 124.669 124.669 119.703 4.966 25143 562 1 3 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.526 -0.089 25143 563 1 3 . 1 1 62 62 ALA CA C 62 52.064 52.064 50.379 1.685 25143 564 1 3 . 1 1 62 62 ALA CB C 62 20.822 20.822 20.984 -0.162 25143 565 1 3 . 1 1 62 62 ALA H H 62 8.728 8.728 7.418 1.310 25143 566 1 3 . 1 1 63 63 GLU N N 63 119.649 119.649 120.197 -0.548 25143 567 1 3 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.111 -0.074 25143 568 1 3 . 1 1 63 63 GLU CA C 63 57.332 57.332 56.894 0.438 25143 569 1 3 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.858 -0.596 25143 570 1 3 . 1 1 63 63 GLU H H 63 8.523 8.523 8.499 0.024 25143 571 1 3 . 1 1 64 64 ALA N N 64 128.762 128.762 128.971 -0.209 25143 572 1 3 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.495 -0.109 25143 573 1 3 . 1 1 64 64 ALA CA C 64 50.354 50.354 51.164 -0.810 25143 574 1 3 . 1 1 64 64 ALA CB C 64 18.335 18.335 18.923 -0.588 25143 575 1 3 . 1 1 64 64 ALA H H 64 8.581 8.581 8.605 -0.024 25143 576 1 3 . 1 1 65 65 LYS N N 65 122.223 122.223 122.011 0.212 25143 577 1 3 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.081 -0.000 25143 578 1 3 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.138 -1.083 25143 579 1 3 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.561 -0.255 25143 580 1 3 . 1 1 65 65 LYS H H 65 8.175 8.175 8.344 -0.169 25143 581 1 3 . 1 1 66 66 CYS N N 66 117.296 117.296 117.815 -0.519 25143 582 1 3 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.806 -0.114 25143 583 1 3 . 1 1 66 66 CYS CA C 66 53.727 53.727 55.664 -1.937 25143 584 1 3 . 1 1 66 66 CYS H H 66 8.790 8.790 7.674 1.116 25143 585 1 3 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.567 -0.171 25143 586 1 3 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.390 0.439 25143 587 1 3 . 1 1 67 67 PRO CB C 67 31.785 31.785 30.512 1.272 25143 588 1 3 . 1 1 68 68 LYS N N 68 121.724 121.724 123.452 -1.728 25143 589 1 3 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.296 -0.011 25143 590 1 3 . 1 1 68 68 LYS CA C 68 54.929 54.929 56.840 -1.911 25143 591 1 3 . 1 1 68 68 LYS CB C 68 33.327 33.327 33.833 -0.506 25143 592 1 3 . 1 1 68 68 LYS H H 68 8.662 8.662 8.105 0.557 25143 593 1 3 . 1 1 69 69 LEU N N 69 125.851 125.851 123.899 1.952 25143 594 1 3 . 1 1 69 69 LEU HA H 69 4.474 4.474 5.120 -0.646 25143 595 1 3 . 1 1 69 69 LEU CA C 69 54.454 54.454 53.596 0.857 25143 596 1 3 . 1 1 69 69 LEU CB C 69 41.720 41.720 43.818 -2.098 25143 597 1 3 . 1 1 69 69 LEU H H 69 8.320 8.320 8.500 -0.180 25143 598 1 3 . 1 1 70 70 LEU N N 70 128.488 128.488 124.239 4.249 25143 599 1 3 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.914 -0.266 25143 600 1 3 . 1 1 70 70 LEU CA C 70 53.127 53.127 52.319 0.808 25143 601 1 3 . 1 1 70 70 LEU CB C 70 42.832 42.832 42.576 0.256 25143 602 1 3 . 1 1 70 70 LEU H H 70 8.677 8.677 8.156 0.521 25143 603 1 3 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.356 -0.080 25143 604 1 3 . 1 1 71 71 PRO CA C 71 64.790 64.790 65.155 -0.365 25143 605 1 3 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.815 -0.355 25143 606 1 3 . 1 1 72 72 CYS N N 72 112.135 112.135 117.663 -5.528 25143 607 1 3 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.446 -0.172 25143 608 1 3 . 1 1 72 72 CYS CA C 72 57.194 57.194 58.292 -1.098 25143 609 1 3 . 1 1 72 72 CYS CB C 72 31.085 31.085 27.286 3.799 25143 610 1 3 . 1 1 72 72 CYS H H 72 7.204 7.204 7.691 -0.487 25143 611 1 3 . 1 1 73 73 LEU N N 73 114.341 114.341 120.846 -6.505 25143 612 1 3 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.916 -0.048 25143 613 1 3 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.717 0.783 25143 614 1 3 . 1 1 73 73 LEU CB C 73 37.671 37.671 38.777 -1.106 25143 615 1 3 . 1 1 73 73 LEU H H 73 8.043 8.043 7.337 0.706 25143 616 1 3 . 1 1 74 74 HIS N N 74 120.386 120.386 119.374 1.012 25143 617 1 3 . 1 1 74 74 HIS HA H 74 4.990 4.990 4.937 0.053 25143 618 1 3 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.664 4.008 25143 619 1 3 . 1 1 74 74 HIS CB C 74 31.354 31.354 33.575 -2.221 25143 620 1 3 . 1 1 74 74 HIS H H 74 7.831 7.831 7.929 -0.098 25143 621 1 3 . 1 1 75 75 THR N N 75 118.963 118.963 117.891 1.072 25143 622 1 3 . 1 1 75 75 THR HA H 75 4.730 4.730 4.711 0.019 25143 623 1 3 . 1 1 75 75 THR CA C 75 62.185 62.185 62.466 -0.281 25143 624 1 3 . 1 1 75 75 THR CB C 75 69.640 69.640 69.075 0.565 25143 625 1 3 . 1 1 75 75 THR H H 75 8.889 8.889 8.612 0.277 25143 626 1 3 . 1 1 76 76 LEU N N 76 128.330 128.330 126.642 1.688 25143 627 1 3 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.946 0.987 25143 628 1 3 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.339 -1.830 25143 629 1 3 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.323 -1.129 25143 630 1 3 . 1 1 76 76 LEU H H 76 8.767 8.767 8.581 0.186 25143 631 1 3 . 1 1 77 77 CYS N N 77 119.360 119.360 116.343 3.017 25143 632 1 3 . 1 1 77 77 CYS HA H 77 4.732 4.732 5.437 -0.705 25143 633 1 3 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.762 0.108 25143 634 1 3 . 1 1 77 77 CYS CB C 77 31.698 31.698 31.189 0.509 25143 635 1 3 . 1 1 77 77 CYS H H 77 9.510 9.510 8.178 1.332 25143 636 1 3 . 1 1 78 78 SER N N 78 114.841 114.841 118.656 -3.815 25143 637 1 3 . 1 1 78 78 SER HA H 78 4.037 4.037 4.091 -0.054 25143 638 1 3 . 1 1 78 78 SER CA C 78 61.756 61.756 62.079 -0.323 25143 639 1 3 . 1 1 78 78 SER CB C 78 62.254 62.254 62.528 -0.274 25143 640 1 3 . 1 1 78 78 SER H H 78 8.593 8.593 8.626 -0.033 25143 641 1 3 . 1 1 79 79 GLY N N 79 111.904 111.904 109.452 2.452 25143 642 1 3 . 1 1 79 79 GLY CA C 79 46.777 46.777 47.046 -0.269 25143 643 1 3 . 1 1 79 79 GLY H H 79 8.391 8.391 8.844 -0.453 25143 644 1 3 . 1 1 80 80 CYS N N 80 126.807 126.807 120.346 6.461 25143 645 1 3 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.139 -0.185 25143 646 1 3 . 1 1 80 80 CYS CA C 80 65.189 65.189 63.862 1.327 25143 647 1 3 . 1 1 80 80 CYS CB C 80 28.846 28.846 27.676 1.170 25143 648 1 3 . 1 1 80 80 CYS H H 80 9.039 9.039 7.753 1.286 25143 649 1 3 . 1 1 81 81 LEU N N 81 120.440 120.440 122.893 -2.453 25143 650 1 3 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.173 -0.041 25143 651 1 3 . 1 1 81 81 LEU CA C 81 57.443 57.443 58.020 -0.577 25143 652 1 3 . 1 1 81 81 LEU CB C 81 41.782 41.782 42.340 -0.558 25143 653 1 3 . 1 1 81 81 LEU H H 81 8.109 8.109 8.139 -0.030 25143 654 1 3 . 1 1 82 82 GLU N N 82 120.149 120.149 116.951 3.198 25143 655 1 3 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.032 0.005 25143 656 1 3 . 1 1 82 82 GLU CA C 82 59.319 59.319 58.941 0.378 25143 657 1 3 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.552 -0.625 25143 658 1 3 . 1 1 82 82 GLU H H 82 8.432 8.432 8.544 -0.112 25143 659 1 3 . 1 1 83 83 ALA N N 83 120.334 120.334 120.732 -0.398 25143 660 1 3 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.363 -0.064 25143 661 1 3 . 1 1 83 83 ALA CA C 83 53.543 53.543 53.548 -0.005 25143 662 1 3 . 1 1 83 83 ALA CB C 83 18.334 18.334 19.740 -1.406 25143 663 1 3 . 1 1 83 83 ALA H H 83 7.715 7.715 7.473 0.242 25143 664 1 3 . 1 1 84 84 SER N N 84 112.368 112.368 113.455 -1.087 25143 665 1 3 . 1 1 84 84 SER HA H 84 4.494 4.494 4.701 -0.207 25143 666 1 3 . 1 1 84 84 SER CA C 84 58.210 58.210 57.046 1.164 25143 667 1 3 . 1 1 84 84 SER CB C 84 63.837 63.837 63.379 0.458 25143 668 1 3 . 1 1 84 84 SER H H 84 7.570 7.570 8.110 -0.540 25143 669 1 3 . 1 1 85 85 GLY N N 85 110.612 110.612 110.465 0.147 25143 670 1 3 . 1 1 85 85 GLY CA C 85 46.841 46.841 45.307 1.534 25143 671 1 3 . 1 1 85 85 GLY H H 85 7.955 7.955 7.944 0.011 25143 672 1 3 . 1 1 86 86 MET N N 86 113.856 113.856 122.578 -8.722 25143 673 1 3 . 1 1 86 86 MET HA H 86 3.804 3.804 4.443 -0.639 25143 674 1 3 . 1 1 86 86 MET CA C 86 55.160 55.160 55.113 0.047 25143 675 1 3 . 1 1 86 86 MET CB C 86 28.494 28.494 31.581 -3.087 25143 676 1 3 . 1 1 86 86 MET H H 86 8.489 8.489 8.294 0.195 25143 677 1 3 . 1 1 87 87 GLN N N 87 116.394 116.394 119.824 -3.430 25143 678 1 3 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.527 -0.078 25143 679 1 3 . 1 1 87 87 GLN CA C 87 53.404 53.404 55.431 -2.027 25143 680 1 3 . 1 1 87 87 GLN CB C 87 30.964 30.964 31.201 -0.237 25143 681 1 3 . 1 1 87 87 GLN H H 87 7.188 7.188 7.515 -0.327 25143 682 1 3 . 1 1 88 88 CYS N N 88 124.484 124.484 119.926 4.558 25143 683 1 3 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.919 -0.619 25143 684 1 3 . 1 1 88 88 CYS CA C 88 57.101 57.101 54.872 2.229 25143 685 1 3 . 1 1 88 88 CYS CB C 88 31.117 31.117 27.905 3.212 25143 686 1 3 . 1 1 88 88 CYS H H 88 8.616 8.616 8.575 0.041 25143 687 1 3 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.296 0.213 25143 688 1 3 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.053 -0.338 25143 689 1 3 . 1 1 89 89 PRO CB C 89 31.717 31.717 31.855 -0.138 25143 690 1 3 . 1 1 90 90 ILE N N 90 123.484 123.484 117.649 5.835 25143 691 1 3 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.678 0.105 25143 692 1 3 . 1 1 90 90 ILE CA C 90 62.878 62.878 64.358 -1.480 25143 693 1 3 . 1 1 90 90 ILE CB C 90 37.483 37.483 37.708 -0.224 25143 694 1 3 . 1 1 90 90 ILE H H 90 8.908 8.908 7.949 0.959 25143 695 1 3 . 1 1 91 91 CYS N N 91 120.890 120.890 113.677 7.213 25143 696 1 3 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.333 0.184 25143 697 1 3 . 1 1 91 91 CYS CA C 91 60.891 60.891 58.432 2.459 25143 698 1 3 . 1 1 91 91 CYS CB C 91 31.244 31.244 29.513 1.731 25143 699 1 3 . 1 1 91 91 CYS H H 91 8.587 8.587 7.288 1.299 25143 700 1 3 . 1 1 92 92 GLN N N 92 116.563 116.563 120.076 -3.513 25143 701 1 3 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.133 -0.001 25143 702 1 3 . 1 1 92 92 GLN CA C 92 56.824 56.824 56.753 0.071 25143 703 1 3 . 1 1 92 92 GLN CB C 92 27.216 27.216 29.428 -2.212 25143 704 1 3 . 1 1 92 92 GLN H H 92 7.787 7.787 7.543 0.244 25143 705 1 3 . 1 1 93 93 ALA N N 93 125.273 125.273 124.156 1.117 25143 706 1 3 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.194 0.367 25143 707 1 3 . 1 1 93 93 ALA CA C 93 50.862 50.862 50.439 0.423 25143 708 1 3 . 1 1 93 93 ALA CB C 93 18.415 18.415 18.409 0.006 25143 709 1 3 . 1 1 93 93 ALA H H 93 8.031 8.031 7.740 0.291 25143 710 1 3 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.303 0.235 25143 711 1 3 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.533 -0.020 25143 712 1 3 . 1 1 94 94 PRO CB C 94 31.684 31.684 32.141 -0.457 25143 713 1 3 . 1 1 95 95 TRP N N 95 121.986 121.986 123.009 -1.023 25143 714 1 3 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.807 0.235 25143 715 1 3 . 1 1 95 95 TRP CA C 95 54.005 54.005 55.494 -1.489 25143 716 1 3 . 1 1 95 95 TRP CB C 95 28.846 28.846 29.032 -0.186 25143 717 1 3 . 1 1 95 95 TRP H H 95 8.012 8.012 8.209 -0.197 25143 718 1 3 . 1 1 96 96 PRO CA C 96 62.690 62.690 62.909 -0.219 25143 719 1 3 . 1 1 96 96 PRO CB C 96 31.770 31.770 32.140 -0.370 25143 720 1 3 . 1 1 97 97 LEU N N 97 122.075 122.075 124.048 -1.973 25143 721 1 3 . 1 1 97 97 LEU HA H 97 4.299 4.299 4.127 0.172 25143 722 1 3 . 1 1 97 97 LEU CA C 97 55.206 55.206 56.207 -1.001 25143 723 1 3 . 1 1 97 97 LEU CB C 97 42.046 42.046 41.960 0.086 25143 724 1 3 . 1 1 97 97 LEU H H 97 8.145 8.145 8.595 -0.450 25143 725 1 3 . 1 1 98 98 GLY N N 98 110.020 110.020 104.401 5.619 25143 726 1 3 . 1 1 98 98 GLY CA C 98 45.085 45.085 44.519 0.566 25143 727 1 3 . 1 1 98 98 GLY H H 98 8.444 8.444 7.743 0.701 25143 728 1 3 . 1 1 99 99 ALA N N 99 123.511 123.511 121.586 1.925 25143 729 1 3 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.181 0.118 25143 730 1 3 . 1 1 99 99 ALA CA C 99 52.249 52.249 52.260 -0.011 25143 731 1 3 . 1 1 99 99 ALA CB C 99 18.936 18.936 18.345 0.591 25143 732 1 3 . 1 1 99 99 ALA H H 99 8.176 8.176 7.935 0.241 25143 733 1 3 . 1 1 100 100 ASP N N 100 119.098 119.098 121.213 -2.115 25143 734 1 3 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.597 -0.036 25143 735 1 3 . 1 1 100 100 ASP CA C 100 53.912 53.912 54.505 -0.593 25143 736 1 3 . 1 1 100 100 ASP CB C 100 40.580 40.580 41.583 -1.003 25143 737 1 3 . 1 1 100 100 ASP H H 100 8.383 8.383 8.460 -0.077 25143 738 1 3 . 1 1 101 101 THR N N 101 116.696 116.696 115.882 0.814 25143 739 1 3 . 1 1 101 101 THR HA H 101 4.517 4.517 4.760 -0.243 25143 740 1 3 . 1 1 101 101 THR CA C 101 59.551 59.551 60.019 -0.468 25143 741 1 3 . 1 1 101 101 THR CB C 101 69.589 69.589 70.627 -1.038 25143 742 1 3 . 1 1 101 101 THR H H 101 8.017 8.017 8.186 -0.169 25143 743 1 3 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.371 -0.035 25143 744 1 3 . 1 1 102 102 PRO CA C 102 62.884 62.884 63.505 -0.621 25143 745 1 3 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.018 -0.251 25143 746 1 3 . 1 1 103 103 ALA N N 103 125.184 125.184 121.933 3.251 25143 747 1 3 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.568 -0.283 25143 748 1 3 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.400 0.617 25143 749 1 3 . 1 1 103 103 ALA CB C 103 18.974 18.974 20.630 -1.656 25143 750 1 3 . 1 1 103 103 ALA H H 103 8.333 8.333 7.548 0.785 25143 751 1 4 . 1 1 50 50 GLU N N 50 120.583 120.583 121.133 -0.550 25143 752 1 4 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.385 -0.217 25143 753 1 4 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.470 0.354 25143 754 1 4 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.535 -0.817 25143 755 1 4 . 1 1 50 50 GLU H H 50 8.300 8.300 8.271 0.029 25143 756 1 4 . 1 1 51 51 GLU N N 51 121.142 121.142 122.298 -1.156 25143 757 1 4 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.122 0.002 25143 758 1 4 . 1 1 51 51 GLU CA C 51 56.362 56.362 56.346 0.016 25143 759 1 4 . 1 1 51 51 GLU CB C 51 29.727 29.727 29.371 0.356 25143 760 1 4 . 1 1 51 51 GLU H H 51 8.140 8.140 8.854 -0.714 25143 761 1 4 . 1 1 52 52 PHE N N 52 120.500 120.500 117.955 2.545 25143 762 1 4 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.967 -0.452 25143 763 1 4 . 1 1 52 52 PHE CA C 52 57.409 57.409 56.582 0.827 25143 764 1 4 . 1 1 52 52 PHE CB C 52 39.326 39.326 40.388 -1.062 25143 765 1 4 . 1 1 52 52 PHE H H 52 8.106 8.106 7.286 0.820 25143 766 1 4 . 1 1 53 53 GLN N N 53 121.616 121.616 119.166 2.450 25143 767 1 4 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.643 -0.431 25143 768 1 4 . 1 1 53 53 GLN CA C 53 55.345 55.345 56.157 -0.812 25143 769 1 4 . 1 1 53 53 GLN CB C 53 29.357 29.357 30.853 -1.496 25143 770 1 4 . 1 1 53 53 GLN H H 53 8.047 8.047 8.510 -0.463 25143 771 1 4 . 1 1 54 54 PHE N N 54 120.217 120.217 123.861 -3.644 25143 772 1 4 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.950 -0.302 25143 773 1 4 . 1 1 54 54 PHE CA C 54 56.824 56.824 58.050 -1.226 25143 774 1 4 . 1 1 54 54 PHE CB C 54 39.522 39.522 41.127 -1.605 25143 775 1 4 . 1 1 54 54 PHE H H 54 7.956 7.956 8.870 -0.914 25143 776 1 4 . 1 1 55 55 LEU N N 55 123.391 123.391 123.768 -0.377 25143 777 1 4 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.582 -0.196 25143 778 1 4 . 1 1 55 55 LEU CA C 55 54.421 54.421 55.193 -0.772 25143 779 1 4 . 1 1 55 55 LEU CB C 55 43.024 43.024 44.373 -1.349 25143 780 1 4 . 1 1 55 55 LEU H H 55 8.567 8.567 8.481 0.086 25143 781 1 4 . 1 1 56 56 ARG N N 56 120.442 120.442 122.128 -1.686 25143 782 1 4 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.803 -0.234 25143 783 1 4 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.942 -0.389 25143 784 1 4 . 1 1 56 56 ARG CB C 56 31.817 31.817 33.620 -1.803 25143 785 1 4 . 1 1 56 56 ARG H H 56 8.101 8.101 8.444 -0.343 25143 786 1 4 . 1 1 57 57 CYS N N 57 123.891 123.891 123.228 0.663 25143 787 1 4 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.417 -0.464 25143 788 1 4 . 1 1 57 57 CYS CA C 57 59.135 59.135 59.382 -0.247 25143 789 1 4 . 1 1 57 57 CYS CB C 57 31.290 31.290 30.207 1.083 25143 790 1 4 . 1 1 57 57 CYS H H 57 8.828 8.828 8.489 0.339 25143 791 1 4 . 1 1 58 58 GLN N N 58 128.172 128.172 127.159 1.013 25143 792 1 4 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.059 0.062 25143 793 1 4 . 1 1 58 58 GLN CA C 58 58.528 58.528 58.202 0.326 25143 794 1 4 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.628 1.321 25143 795 1 4 . 1 1 58 58 GLN H H 58 9.222 9.222 8.595 0.627 25143 796 1 4 . 1 1 59 59 GLN N N 59 121.709 121.709 117.634 4.075 25143 797 1 4 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.296 0.293 25143 798 1 4 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.447 0.163 25143 799 1 4 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.293 0.424 25143 800 1 4 . 1 1 59 59 GLN H H 59 9.200 9.200 8.080 1.120 25143 801 1 4 . 1 1 60 60 CYS N N 60 119.482 119.482 116.277 3.205 25143 802 1 4 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.672 0.122 25143 803 1 4 . 1 1 60 60 CYS CA C 60 59.458 59.458 58.229 1.229 25143 804 1 4 . 1 1 60 60 CYS CB C 60 32.179 32.179 30.119 2.060 25143 805 1 4 . 1 1 60 60 CYS H H 60 8.566 8.566 7.351 1.215 25143 806 1 4 . 1 1 61 61 GLN N N 61 115.153 115.153 119.151 -3.998 25143 807 1 4 . 1 1 61 61 GLN HA H 61 4.153 4.153 4.059 0.094 25143 808 1 4 . 1 1 61 61 GLN CA C 61 57.979 57.979 57.133 0.846 25143 809 1 4 . 1 1 61 61 GLN CB C 61 25.342 25.342 27.034 -1.692 25143 810 1 4 . 1 1 61 61 GLN H H 61 7.672 7.672 8.391 -0.719 25143 811 1 4 . 1 1 62 62 ALA N N 62 124.669 124.669 119.581 5.088 25143 812 1 4 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.556 -0.119 25143 813 1 4 . 1 1 62 62 ALA CA C 62 52.064 52.064 51.081 0.983 25143 814 1 4 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.059 -0.237 25143 815 1 4 . 1 1 62 62 ALA H H 62 8.728 8.728 7.420 1.308 25143 816 1 4 . 1 1 63 63 GLU N N 63 119.649 119.649 120.077 -0.428 25143 817 1 4 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.086 -0.049 25143 818 1 4 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.282 0.050 25143 819 1 4 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.171 0.091 25143 820 1 4 . 1 1 63 63 GLU H H 63 8.523 8.523 8.542 -0.019 25143 821 1 4 . 1 1 64 64 ALA N N 64 128.762 128.762 127.985 0.777 25143 822 1 4 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.402 -0.017 25143 823 1 4 . 1 1 64 64 ALA CA C 64 50.354 50.354 51.763 -1.409 25143 824 1 4 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.864 -1.530 25143 825 1 4 . 1 1 64 64 ALA H H 64 8.581 8.581 8.073 0.508 25143 826 1 4 . 1 1 65 65 LYS N N 65 122.223 122.223 122.358 -0.135 25143 827 1 4 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.044 0.037 25143 828 1 4 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.455 -1.400 25143 829 1 4 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.862 -0.556 25143 830 1 4 . 1 1 65 65 LYS H H 65 8.175 8.175 8.590 -0.415 25143 831 1 4 . 1 1 66 66 CYS N N 66 117.296 117.296 115.078 2.218 25143 832 1 4 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.690 0.002 25143 833 1 4 . 1 1 66 66 CYS CA C 66 53.727 53.727 55.731 -2.004 25143 834 1 4 . 1 1 66 66 CYS H H 66 8.790 8.790 7.977 0.813 25143 835 1 4 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.412 -0.015 25143 836 1 4 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.800 0.029 25143 837 1 4 . 1 1 67 67 PRO CB C 67 31.785 31.785 30.386 1.399 25143 838 1 4 . 1 1 68 68 LYS N N 68 121.724 121.724 123.032 -1.308 25143 839 1 4 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.458 -0.173 25143 840 1 4 . 1 1 68 68 LYS CA C 68 54.929 54.929 55.145 -0.216 25143 841 1 4 . 1 1 68 68 LYS CB C 68 33.327 33.327 33.646 -0.319 25143 842 1 4 . 1 1 68 68 LYS H H 68 8.662 8.662 8.210 0.452 25143 843 1 4 . 1 1 69 69 LEU N N 69 125.851 125.851 124.924 0.927 25143 844 1 4 . 1 1 69 69 LEU HA H 69 4.474 4.474 5.132 -0.658 25143 845 1 4 . 1 1 69 69 LEU CA C 69 54.454 54.454 53.312 1.142 25143 846 1 4 . 1 1 69 69 LEU CB C 69 41.720 41.720 44.731 -3.011 25143 847 1 4 . 1 1 69 69 LEU H H 69 8.320 8.320 8.464 -0.144 25143 848 1 4 . 1 1 70 70 LEU N N 70 128.488 128.488 122.714 5.774 25143 849 1 4 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.937 -0.289 25143 850 1 4 . 1 1 70 70 LEU CA C 70 53.127 53.127 51.650 1.477 25143 851 1 4 . 1 1 70 70 LEU CB C 70 42.832 42.832 42.660 0.173 25143 852 1 4 . 1 1 70 70 LEU H H 70 8.677 8.677 8.272 0.405 25143 853 1 4 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.339 -0.063 25143 854 1 4 . 1 1 71 71 PRO CA C 71 64.790 64.790 65.305 -0.515 25143 855 1 4 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.840 -0.380 25143 856 1 4 . 1 1 72 72 CYS N N 72 112.135 112.135 117.585 -5.450 25143 857 1 4 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.445 -0.171 25143 858 1 4 . 1 1 72 72 CYS CA C 72 57.194 57.194 58.113 -0.919 25143 859 1 4 . 1 1 72 72 CYS CB C 72 31.085 31.085 27.452 3.633 25143 860 1 4 . 1 1 72 72 CYS H H 72 7.204 7.204 7.668 -0.464 25143 861 1 4 . 1 1 73 73 LEU N N 73 114.341 114.341 121.170 -6.829 25143 862 1 4 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.887 -0.019 25143 863 1 4 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.718 0.782 25143 864 1 4 . 1 1 73 73 LEU CB C 73 37.671 37.671 38.757 -1.086 25143 865 1 4 . 1 1 73 73 LEU H H 73 8.043 8.043 7.358 0.685 25143 866 1 4 . 1 1 74 74 HIS N N 74 120.386 120.386 119.486 0.900 25143 867 1 4 . 1 1 74 74 HIS HA H 74 4.990 4.990 4.888 0.102 25143 868 1 4 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.607 4.065 25143 869 1 4 . 1 1 74 74 HIS CB C 74 31.354 31.354 33.612 -2.258 25143 870 1 4 . 1 1 74 74 HIS H H 74 7.831 7.831 7.975 -0.144 25143 871 1 4 . 1 1 75 75 THR N N 75 118.963 118.963 118.054 0.909 25143 872 1 4 . 1 1 75 75 THR HA H 75 4.730 4.730 4.623 0.107 25143 873 1 4 . 1 1 75 75 THR CA C 75 62.185 62.185 62.490 -0.305 25143 874 1 4 . 1 1 75 75 THR CB C 75 69.640 69.640 68.987 0.653 25143 875 1 4 . 1 1 75 75 THR H H 75 8.889 8.889 8.517 0.372 25143 876 1 4 . 1 1 76 76 LEU N N 76 128.330 128.330 126.807 1.523 25143 877 1 4 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.861 1.072 25143 878 1 4 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.760 -2.251 25143 879 1 4 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.307 -1.113 25143 880 1 4 . 1 1 76 76 LEU H H 76 8.767 8.767 8.533 0.234 25143 881 1 4 . 1 1 77 77 CYS N N 77 119.360 119.360 116.387 2.973 25143 882 1 4 . 1 1 77 77 CYS HA H 77 4.732 4.732 5.474 -0.742 25143 883 1 4 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.541 0.329 25143 884 1 4 . 1 1 77 77 CYS CB C 77 31.698 31.698 31.101 0.597 25143 885 1 4 . 1 1 77 77 CYS H H 77 9.510 9.510 8.185 1.325 25143 886 1 4 . 1 1 78 78 SER N N 78 114.841 114.841 117.925 -3.084 25143 887 1 4 . 1 1 78 78 SER HA H 78 4.037 4.037 4.026 0.011 25143 888 1 4 . 1 1 78 78 SER CA C 78 61.756 61.756 62.574 -0.818 25143 889 1 4 . 1 1 78 78 SER CB C 78 62.254 62.254 62.915 -0.661 25143 890 1 4 . 1 1 78 78 SER H H 78 8.593 8.593 8.943 -0.350 25143 891 1 4 . 1 1 79 79 GLY N N 79 111.904 111.904 109.619 2.285 25143 892 1 4 . 1 1 79 79 GLY CA C 79 46.777 46.777 47.095 -0.318 25143 893 1 4 . 1 1 79 79 GLY H H 79 8.391 8.391 8.601 -0.210 25143 894 1 4 . 1 1 80 80 CYS N N 80 126.807 126.807 120.928 5.879 25143 895 1 4 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.154 -0.200 25143 896 1 4 . 1 1 80 80 CYS CA C 80 65.189 65.189 63.452 1.737 25143 897 1 4 . 1 1 80 80 CYS CB C 80 28.846 28.846 27.378 1.468 25143 898 1 4 . 1 1 80 80 CYS H H 80 9.039 9.039 7.740 1.299 25143 899 1 4 . 1 1 81 81 LEU N N 81 120.440 120.440 122.769 -2.329 25143 900 1 4 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.187 -0.055 25143 901 1 4 . 1 1 81 81 LEU CA C 81 57.443 57.443 58.065 -0.622 25143 902 1 4 . 1 1 81 81 LEU CB C 81 41.782 41.782 42.193 -0.411 25143 903 1 4 . 1 1 81 81 LEU H H 81 8.109 8.109 7.795 0.314 25143 904 1 4 . 1 1 82 82 GLU N N 82 120.149 120.149 117.688 2.461 25143 905 1 4 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.000 0.037 25143 906 1 4 . 1 1 82 82 GLU CA C 82 59.319 59.319 58.869 0.450 25143 907 1 4 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.314 -0.387 25143 908 1 4 . 1 1 82 82 GLU H H 82 8.432 8.432 8.417 0.015 25143 909 1 4 . 1 1 83 83 ALA N N 83 120.334 120.334 121.126 -0.792 25143 910 1 4 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.350 -0.051 25143 911 1 4 . 1 1 83 83 ALA CA C 83 53.543 53.543 53.549 -0.006 25143 912 1 4 . 1 1 83 83 ALA CB C 83 18.334 18.334 19.212 -0.878 25143 913 1 4 . 1 1 83 83 ALA H H 83 7.715 7.715 7.751 -0.036 25143 914 1 4 . 1 1 84 84 SER N N 84 112.368 112.368 114.091 -1.723 25143 915 1 4 . 1 1 84 84 SER HA H 84 4.494 4.494 4.713 -0.219 25143 916 1 4 . 1 1 84 84 SER CA C 84 58.210 58.210 57.972 0.238 25143 917 1 4 . 1 1 84 84 SER CB C 84 63.837 63.837 63.123 0.714 25143 918 1 4 . 1 1 84 84 SER H H 84 7.570 7.570 8.471 -0.901 25143 919 1 4 . 1 1 85 85 GLY N N 85 110.612 110.612 110.317 0.295 25143 920 1 4 . 1 1 85 85 GLY CA C 85 46.841 46.841 45.268 1.573 25143 921 1 4 . 1 1 85 85 GLY H H 85 7.955 7.955 7.707 0.248 25143 922 1 4 . 1 1 86 86 MET N N 86 113.856 113.856 122.298 -8.442 25143 923 1 4 . 1 1 86 86 MET HA H 86 3.804 3.804 4.460 -0.656 25143 924 1 4 . 1 1 86 86 MET CA C 86 55.160 55.160 55.273 -0.113 25143 925 1 4 . 1 1 86 86 MET CB C 86 28.494 28.494 32.176 -3.683 25143 926 1 4 . 1 1 86 86 MET H H 86 8.489 8.489 8.307 0.182 25143 927 1 4 . 1 1 87 87 GLN N N 87 116.394 116.394 118.907 -2.513 25143 928 1 4 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.578 -0.129 25143 929 1 4 . 1 1 87 87 GLN CA C 87 53.404 53.404 54.516 -1.112 25143 930 1 4 . 1 1 87 87 GLN CB C 87 30.964 30.964 32.021 -1.057 25143 931 1 4 . 1 1 87 87 GLN H H 87 7.188 7.188 7.510 -0.322 25143 932 1 4 . 1 1 88 88 CYS N N 88 124.484 124.484 117.384 7.100 25143 933 1 4 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.976 -0.676 25143 934 1 4 . 1 1 88 88 CYS CA C 88 57.101 57.101 55.301 1.800 25143 935 1 4 . 1 1 88 88 CYS CB C 88 31.117 31.117 29.488 1.629 25143 936 1 4 . 1 1 88 88 CYS H H 88 8.616 8.616 8.721 -0.105 25143 937 1 4 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.354 0.155 25143 938 1 4 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.424 -0.709 25143 939 1 4 . 1 1 89 89 PRO CB C 89 31.717 31.717 32.192 -0.475 25143 940 1 4 . 1 1 90 90 ILE N N 90 123.484 123.484 116.788 6.696 25143 941 1 4 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.739 0.044 25143 942 1 4 . 1 1 90 90 ILE CA C 90 62.878 62.878 64.329 -1.452 25143 943 1 4 . 1 1 90 90 ILE CB C 90 37.483 37.483 37.631 -0.148 25143 944 1 4 . 1 1 90 90 ILE H H 90 8.908 8.908 8.111 0.797 25143 945 1 4 . 1 1 91 91 CYS N N 91 120.890 120.890 114.979 5.911 25143 946 1 4 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.251 0.266 25143 947 1 4 . 1 1 91 91 CYS CA C 91 60.891 60.891 58.831 2.059 25143 948 1 4 . 1 1 91 91 CYS CB C 91 31.244 31.244 28.743 2.501 25143 949 1 4 . 1 1 91 91 CYS H H 91 8.587 8.587 7.534 1.053 25143 950 1 4 . 1 1 92 92 GLN N N 92 116.563 116.563 120.937 -4.374 25143 951 1 4 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.156 -0.024 25143 952 1 4 . 1 1 92 92 GLN CA C 92 56.824 56.824 57.250 -0.426 25143 953 1 4 . 1 1 92 92 GLN CB C 92 27.216 27.216 28.795 -1.579 25143 954 1 4 . 1 1 92 92 GLN H H 92 7.787 7.787 7.543 0.244 25143 955 1 4 . 1 1 93 93 ALA N N 93 125.273 125.273 123.184 2.089 25143 956 1 4 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.462 0.099 25143 957 1 4 . 1 1 93 93 ALA CA C 93 50.862 50.862 50.397 0.465 25143 958 1 4 . 1 1 93 93 ALA CB C 93 18.415 18.415 18.739 -0.324 25143 959 1 4 . 1 1 93 93 ALA H H 93 8.031 8.031 7.515 0.516 25143 960 1 4 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.482 0.056 25143 961 1 4 . 1 1 94 94 PRO CA C 94 62.513 62.513 63.186 -0.673 25143 962 1 4 . 1 1 94 94 PRO CB C 94 31.684 31.684 31.781 -0.097 25143 963 1 4 . 1 1 95 95 TRP N N 95 121.986 121.986 127.232 -5.246 25143 964 1 4 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.907 0.135 25143 965 1 4 . 1 1 95 95 TRP CA C 95 54.005 54.005 55.252 -1.247 25143 966 1 4 . 1 1 95 95 TRP CB C 95 28.846 28.846 29.832 -0.987 25143 967 1 4 . 1 1 95 95 TRP H H 95 8.012 8.012 8.521 -0.509 25143 968 1 4 . 1 1 96 96 PRO CA C 96 62.690 62.690 62.731 -0.041 25143 969 1 4 . 1 1 96 96 PRO CB C 96 31.770 31.770 32.462 -0.692 25143 970 1 4 . 1 1 97 97 LEU N N 97 122.075 122.075 119.455 2.620 25143 971 1 4 . 1 1 97 97 LEU HA H 97 4.299 4.299 4.616 -0.317 25143 972 1 4 . 1 1 97 97 LEU CA C 97 55.206 55.206 54.732 0.474 25143 973 1 4 . 1 1 97 97 LEU CB C 97 42.046 42.046 43.355 -1.309 25143 974 1 4 . 1 1 97 97 LEU H H 97 8.145 8.145 7.947 0.198 25143 975 1 4 . 1 1 98 98 GLY N N 98 110.020 110.020 109.249 0.771 25143 976 1 4 . 1 1 98 98 GLY CA C 98 45.085 45.085 45.142 -0.057 25143 977 1 4 . 1 1 98 98 GLY H H 98 8.444 8.444 8.567 -0.123 25143 978 1 4 . 1 1 99 99 ALA N N 99 123.511 123.511 124.221 -0.710 25143 979 1 4 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.451 -0.152 25143 980 1 4 . 1 1 99 99 ALA CA C 99 52.249 52.249 51.954 0.295 25143 981 1 4 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.520 -0.584 25143 982 1 4 . 1 1 99 99 ALA H H 99 8.176 8.176 8.080 0.096 25143 983 1 4 . 1 1 100 100 ASP N N 100 119.098 119.098 119.018 0.080 25143 984 1 4 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.701 -0.140 25143 985 1 4 . 1 1 100 100 ASP CA C 100 53.912 53.912 54.045 -0.134 25143 986 1 4 . 1 1 100 100 ASP CB C 100 40.580 40.580 41.770 -1.190 25143 987 1 4 . 1 1 100 100 ASP H H 100 8.383 8.383 8.354 0.029 25143 988 1 4 . 1 1 101 101 THR N N 101 116.696 116.696 117.551 -0.855 25143 989 1 4 . 1 1 101 101 THR HA H 101 4.517 4.517 4.771 -0.254 25143 990 1 4 . 1 1 101 101 THR CA C 101 59.551 59.551 58.902 0.649 25143 991 1 4 . 1 1 101 101 THR CB C 101 69.589 69.589 68.702 0.887 25143 992 1 4 . 1 1 101 101 THR H H 101 8.017 8.017 8.313 -0.296 25143 993 1 4 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.486 -0.150 25143 994 1 4 . 1 1 102 102 PRO CA C 102 62.884 62.884 63.515 -0.631 25143 995 1 4 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.226 -0.459 25143 996 1 4 . 1 1 103 103 ALA N N 103 125.184 125.184 122.415 2.769 25143 997 1 4 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.445 -0.160 25143 998 1 4 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.504 0.513 25143 999 1 4 . 1 1 103 103 ALA CB C 103 18.974 18.974 20.073 -1.099 25143 1000 1 4 . 1 1 103 103 ALA H H 103 8.333 8.333 7.897 0.436 25143 1001 1 5 . 1 1 50 50 GLU N N 50 120.583 120.583 120.957 -0.374 25143 1002 1 5 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.546 -0.378 25143 1003 1 5 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.722 0.102 25143 1004 1 5 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.254 -0.536 25143 1005 1 5 . 1 1 50 50 GLU H H 50 8.300 8.300 8.748 -0.448 25143 1006 1 5 . 1 1 51 51 GLU N N 51 121.142 121.142 123.313 -2.171 25143 1007 1 5 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.092 0.032 25143 1008 1 5 . 1 1 51 51 GLU CA C 51 56.362 56.362 56.110 0.252 25143 1009 1 5 . 1 1 51 51 GLU CB C 51 29.727 29.727 30.135 -0.408 25143 1010 1 5 . 1 1 51 51 GLU H H 51 8.140 8.140 8.697 -0.557 25143 1011 1 5 . 1 1 52 52 PHE N N 52 120.500 120.500 119.001 1.499 25143 1012 1 5 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.848 -0.333 25143 1013 1 5 . 1 1 52 52 PHE CA C 52 57.409 57.409 57.372 0.037 25143 1014 1 5 . 1 1 52 52 PHE CB C 52 39.326 39.326 40.430 -1.104 25143 1015 1 5 . 1 1 52 52 PHE H H 52 8.106 8.106 7.805 0.301 25143 1016 1 5 . 1 1 53 53 GLN N N 53 121.616 121.616 122.888 -1.272 25143 1017 1 5 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.623 -0.411 25143 1018 1 5 . 1 1 53 53 GLN CA C 53 55.345 55.345 56.172 -0.827 25143 1019 1 5 . 1 1 53 53 GLN CB C 53 29.357 29.357 29.915 -0.557 25143 1020 1 5 . 1 1 53 53 GLN H H 53 8.047 8.047 8.700 -0.653 25143 1021 1 5 . 1 1 54 54 PHE N N 54 120.217 120.217 124.892 -4.675 25143 1022 1 5 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.595 0.053 25143 1023 1 5 . 1 1 54 54 PHE CA C 54 56.824 56.824 58.187 -1.363 25143 1024 1 5 . 1 1 54 54 PHE CB C 54 39.522 39.522 39.728 -0.206 25143 1025 1 5 . 1 1 54 54 PHE H H 54 7.956 7.956 8.645 -0.689 25143 1026 1 5 . 1 1 55 55 LEU N N 55 123.391 123.391 123.520 -0.129 25143 1027 1 5 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.641 -0.255 25143 1028 1 5 . 1 1 55 55 LEU CA C 55 54.421 54.421 54.375 0.046 25143 1029 1 5 . 1 1 55 55 LEU CB C 55 43.024 43.024 44.849 -1.825 25143 1030 1 5 . 1 1 55 55 LEU H H 55 8.567 8.567 7.595 0.972 25143 1031 1 5 . 1 1 56 56 ARG N N 56 120.442 120.442 123.849 -3.407 25143 1032 1 5 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.487 0.082 25143 1033 1 5 . 1 1 56 56 ARG CA C 56 54.553 54.553 55.313 -0.760 25143 1034 1 5 . 1 1 56 56 ARG CB C 56 31.817 31.817 32.134 -0.317 25143 1035 1 5 . 1 1 56 56 ARG H H 56 8.101 8.101 8.238 -0.137 25143 1036 1 5 . 1 1 57 57 CYS N N 57 123.891 123.891 126.174 -2.283 25143 1037 1 5 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.188 -0.235 25143 1038 1 5 . 1 1 57 57 CYS CA C 57 59.135 59.135 60.083 -0.948 25143 1039 1 5 . 1 1 57 57 CYS CB C 57 31.290 31.290 29.704 1.586 25143 1040 1 5 . 1 1 57 57 CYS H H 57 8.828 8.828 8.574 0.254 25143 1041 1 5 . 1 1 58 58 GLN N N 58 128.172 128.172 128.897 -0.725 25143 1042 1 5 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.144 -0.023 25143 1043 1 5 . 1 1 58 58 GLN CA C 58 58.528 58.528 58.377 0.151 25143 1044 1 5 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.620 1.330 25143 1045 1 5 . 1 1 58 58 GLN H H 58 9.222 9.222 8.709 0.513 25143 1046 1 5 . 1 1 59 59 GLN N N 59 121.709 121.709 117.657 4.052 25143 1047 1 5 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.327 0.262 25143 1048 1 5 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.459 0.150 25143 1049 1 5 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.298 0.419 25143 1050 1 5 . 1 1 59 59 GLN H H 59 9.200 9.200 8.118 1.082 25143 1051 1 5 . 1 1 60 60 CYS N N 60 119.482 119.482 118.289 1.193 25143 1052 1 5 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.641 0.153 25143 1053 1 5 . 1 1 60 60 CYS CA C 60 59.458 59.458 58.709 0.749 25143 1054 1 5 . 1 1 60 60 CYS CB C 60 32.179 32.179 29.143 3.036 25143 1055 1 5 . 1 1 60 60 CYS H H 60 8.566 8.566 7.440 1.126 25143 1056 1 5 . 1 1 61 61 GLN N N 61 115.153 115.153 116.841 -1.688 25143 1057 1 5 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.954 0.199 25143 1058 1 5 . 1 1 61 61 GLN CA C 61 57.979 57.979 56.856 1.123 25143 1059 1 5 . 1 1 61 61 GLN CB C 61 25.342 25.342 25.511 -0.169 25143 1060 1 5 . 1 1 61 61 GLN H H 61 7.672 7.672 8.320 -0.648 25143 1061 1 5 . 1 1 62 62 ALA N N 62 124.669 124.669 122.158 2.511 25143 1062 1 5 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.356 0.081 25143 1063 1 5 . 1 1 62 62 ALA CA C 62 52.064 52.064 51.414 0.650 25143 1064 1 5 . 1 1 62 62 ALA CB C 62 20.822 20.822 20.711 0.111 25143 1065 1 5 . 1 1 62 62 ALA H H 62 8.728 8.728 7.698 1.030 25143 1066 1 5 . 1 1 63 63 GLU N N 63 119.649 119.649 119.805 -0.156 25143 1067 1 5 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.035 0.002 25143 1068 1 5 . 1 1 63 63 GLU CA C 63 57.332 57.332 56.939 0.393 25143 1069 1 5 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.826 -0.564 25143 1070 1 5 . 1 1 63 63 GLU H H 63 8.523 8.523 8.420 0.103 25143 1071 1 5 . 1 1 64 64 ALA N N 64 128.762 128.762 127.292 1.470 25143 1072 1 5 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.238 0.148 25143 1073 1 5 . 1 1 64 64 ALA CA C 64 50.354 50.354 52.004 -1.650 25143 1074 1 5 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.506 -1.171 25143 1075 1 5 . 1 1 64 64 ALA H H 64 8.581 8.581 8.209 0.372 25143 1076 1 5 . 1 1 65 65 LYS N N 65 122.223 122.223 122.766 -0.543 25143 1077 1 5 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.026 0.055 25143 1078 1 5 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.094 -1.039 25143 1079 1 5 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.789 -0.483 25143 1080 1 5 . 1 1 65 65 LYS H H 65 8.175 8.175 8.523 -0.348 25143 1081 1 5 . 1 1 66 66 CYS N N 66 117.296 117.296 116.642 0.654 25143 1082 1 5 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.760 -0.068 25143 1083 1 5 . 1 1 66 66 CYS CA C 66 53.727 53.727 55.122 -1.395 25143 1084 1 5 . 1 1 66 66 CYS H H 66 8.790 8.790 7.997 0.793 25143 1085 1 5 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.407 -0.010 25143 1086 1 5 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.919 -0.090 25143 1087 1 5 . 1 1 67 67 PRO CB C 67 31.785 31.785 30.883 0.902 25143 1088 1 5 . 1 1 68 68 LYS N N 68 121.724 121.724 125.717 -3.993 25143 1089 1 5 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.662 -0.377 25143 1090 1 5 . 1 1 68 68 LYS CA C 68 54.929 54.929 55.229 -0.300 25143 1091 1 5 . 1 1 68 68 LYS CB C 68 33.327 33.327 35.057 -1.730 25143 1092 1 5 . 1 1 68 68 LYS H H 68 8.662 8.662 8.031 0.631 25143 1093 1 5 . 1 1 69 69 LEU N N 69 125.851 125.851 125.637 0.214 25143 1094 1 5 . 1 1 69 69 LEU HA H 69 4.474 4.474 5.067 -0.593 25143 1095 1 5 . 1 1 69 69 LEU CA C 69 54.454 54.454 54.323 0.131 25143 1096 1 5 . 1 1 69 69 LEU CB C 69 41.720 41.720 43.668 -1.948 25143 1097 1 5 . 1 1 69 69 LEU H H 69 8.320 8.320 8.567 -0.247 25143 1098 1 5 . 1 1 70 70 LEU N N 70 128.488 128.488 124.465 4.023 25143 1099 1 5 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.903 -0.255 25143 1100 1 5 . 1 1 70 70 LEU CA C 70 53.127 53.127 52.318 0.809 25143 1101 1 5 . 1 1 70 70 LEU CB C 70 42.832 42.832 43.419 -0.587 25143 1102 1 5 . 1 1 70 70 LEU H H 70 8.677 8.677 8.189 0.488 25143 1103 1 5 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.311 -0.035 25143 1104 1 5 . 1 1 71 71 PRO CA C 71 64.790 64.790 65.143 -0.353 25143 1105 1 5 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.573 -0.113 25143 1106 1 5 . 1 1 72 72 CYS N N 72 112.135 112.135 117.490 -5.355 25143 1107 1 5 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.529 -0.255 25143 1108 1 5 . 1 1 72 72 CYS CA C 72 57.194 57.194 57.627 -0.433 25143 1109 1 5 . 1 1 72 72 CYS CB C 72 31.085 31.085 26.854 4.231 25143 1110 1 5 . 1 1 72 72 CYS H H 72 7.204 7.204 7.717 -0.513 25143 1111 1 5 . 1 1 73 73 LEU N N 73 114.341 114.341 117.497 -3.156 25143 1112 1 5 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.967 -0.099 25143 1113 1 5 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.690 0.810 25143 1114 1 5 . 1 1 73 73 LEU CB C 73 37.671 37.671 39.251 -1.580 25143 1115 1 5 . 1 1 73 73 LEU H H 73 8.043 8.043 7.614 0.429 25143 1116 1 5 . 1 1 74 74 HIS N N 74 120.386 120.386 115.452 4.934 25143 1117 1 5 . 1 1 74 74 HIS HA H 74 4.990 4.990 4.805 0.185 25143 1118 1 5 . 1 1 74 74 HIS CA C 74 58.672 58.672 55.214 3.458 25143 1119 1 5 . 1 1 74 74 HIS CB C 74 31.354 31.354 32.015 -0.661 25143 1120 1 5 . 1 1 74 74 HIS H H 74 7.831 7.831 7.698 0.133 25143 1121 1 5 . 1 1 75 75 THR N N 75 118.963 118.963 118.673 0.290 25143 1122 1 5 . 1 1 75 75 THR HA H 75 4.730 4.730 4.737 -0.007 25143 1123 1 5 . 1 1 75 75 THR CA C 75 62.185 62.185 62.095 0.090 25143 1124 1 5 . 1 1 75 75 THR CB C 75 69.640 69.640 69.475 0.165 25143 1125 1 5 . 1 1 75 75 THR H H 75 8.889 8.889 8.464 0.425 25143 1126 1 5 . 1 1 76 76 LEU N N 76 128.330 128.330 126.889 1.441 25143 1127 1 5 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.843 1.090 25143 1128 1 5 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.404 -1.895 25143 1129 1 5 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.353 -1.159 25143 1130 1 5 . 1 1 76 76 LEU H H 76 8.767 8.767 8.518 0.249 25143 1131 1 5 . 1 1 77 77 CYS N N 77 119.360 119.360 116.028 3.332 25143 1132 1 5 . 1 1 77 77 CYS HA H 77 4.732 4.732 5.445 -0.713 25143 1133 1 5 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.665 0.205 25143 1134 1 5 . 1 1 77 77 CYS CB C 77 31.698 31.698 30.915 0.783 25143 1135 1 5 . 1 1 77 77 CYS H H 77 9.510 9.510 8.206 1.304 25143 1136 1 5 . 1 1 78 78 SER N N 78 114.841 114.841 116.552 -1.711 25143 1137 1 5 . 1 1 78 78 SER HA H 78 4.037 4.037 4.091 -0.054 25143 1138 1 5 . 1 1 78 78 SER CA C 78 61.756 61.756 61.671 0.085 25143 1139 1 5 . 1 1 78 78 SER CB C 78 62.254 62.254 62.326 -0.072 25143 1140 1 5 . 1 1 78 78 SER H H 78 8.593 8.593 8.861 -0.268 25143 1141 1 5 . 1 1 79 79 GLY N N 79 111.904 111.904 109.336 2.568 25143 1142 1 5 . 1 1 79 79 GLY CA C 79 46.777 46.777 47.041 -0.264 25143 1143 1 5 . 1 1 79 79 GLY H H 79 8.391 8.391 8.824 -0.433 25143 1144 1 5 . 1 1 80 80 CYS N N 80 126.807 126.807 120.545 6.262 25143 1145 1 5 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.188 -0.234 25143 1146 1 5 . 1 1 80 80 CYS CA C 80 65.189 65.189 63.430 1.759 25143 1147 1 5 . 1 1 80 80 CYS CB C 80 28.846 28.846 27.424 1.422 25143 1148 1 5 . 1 1 80 80 CYS H H 80 9.039 9.039 7.331 1.708 25143 1149 1 5 . 1 1 81 81 LEU N N 81 120.440 120.440 122.795 -2.355 25143 1150 1 5 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.149 -0.017 25143 1151 1 5 . 1 1 81 81 LEU CA C 81 57.443 57.443 58.127 -0.684 25143 1152 1 5 . 1 1 81 81 LEU CB C 81 41.782 41.782 42.172 -0.390 25143 1153 1 5 . 1 1 81 81 LEU H H 81 8.109 8.109 7.903 0.206 25143 1154 1 5 . 1 1 82 82 GLU N N 82 120.149 120.149 116.340 3.809 25143 1155 1 5 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.084 -0.047 25143 1156 1 5 . 1 1 82 82 GLU CA C 82 59.319 59.319 58.743 0.576 25143 1157 1 5 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.664 -0.737 25143 1158 1 5 . 1 1 82 82 GLU H H 82 8.432 8.432 8.423 0.009 25143 1159 1 5 . 1 1 83 83 ALA N N 83 120.334 120.334 121.425 -1.091 25143 1160 1 5 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.369 -0.070 25143 1161 1 5 . 1 1 83 83 ALA CA C 83 53.543 53.543 53.789 -0.246 25143 1162 1 5 . 1 1 83 83 ALA CB C 83 18.334 18.334 19.674 -1.340 25143 1163 1 5 . 1 1 83 83 ALA H H 83 7.715 7.715 7.435 0.280 25143 1164 1 5 . 1 1 84 84 SER N N 84 112.368 112.368 113.676 -1.308 25143 1165 1 5 . 1 1 84 84 SER HA H 84 4.494 4.494 4.670 -0.176 25143 1166 1 5 . 1 1 84 84 SER CA C 84 58.210 58.210 57.525 0.685 25143 1167 1 5 . 1 1 84 84 SER CB C 84 63.837 63.837 63.476 0.361 25143 1168 1 5 . 1 1 84 84 SER H H 84 7.570 7.570 8.441 -0.871 25143 1169 1 5 . 1 1 85 85 GLY N N 85 110.612 110.612 110.449 0.163 25143 1170 1 5 . 1 1 85 85 GLY CA C 85 46.841 46.841 45.368 1.473 25143 1171 1 5 . 1 1 85 85 GLY H H 85 7.955 7.955 7.430 0.525 25143 1172 1 5 . 1 1 86 86 MET N N 86 113.856 113.856 118.686 -4.830 25143 1173 1 5 . 1 1 86 86 MET HA H 86 3.804 3.804 4.512 -0.708 25143 1174 1 5 . 1 1 86 86 MET CA C 86 55.160 55.160 55.552 -0.392 25143 1175 1 5 . 1 1 86 86 MET CB C 86 28.494 28.494 32.277 -3.783 25143 1176 1 5 . 1 1 86 86 MET H H 86 8.489 8.489 8.169 0.320 25143 1177 1 5 . 1 1 87 87 GLN N N 87 116.394 116.394 120.112 -3.718 25143 1178 1 5 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.453 -0.004 25143 1179 1 5 . 1 1 87 87 GLN CA C 87 53.404 53.404 55.733 -2.329 25143 1180 1 5 . 1 1 87 87 GLN CB C 87 30.964 30.964 31.526 -0.562 25143 1181 1 5 . 1 1 87 87 GLN H H 87 7.188 7.188 7.363 -0.175 25143 1182 1 5 . 1 1 88 88 CYS N N 88 124.484 124.484 121.716 2.768 25143 1183 1 5 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.764 -0.464 25143 1184 1 5 . 1 1 88 88 CYS CA C 88 57.101 57.101 54.535 2.566 25143 1185 1 5 . 1 1 88 88 CYS CB C 88 31.117 31.117 28.247 2.870 25143 1186 1 5 . 1 1 88 88 CYS H H 88 8.616 8.616 8.499 0.117 25143 1187 1 5 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.356 0.153 25143 1188 1 5 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.614 -0.899 25143 1189 1 5 . 1 1 89 89 PRO CB C 89 31.717 31.717 31.916 -0.199 25143 1190 1 5 . 1 1 90 90 ILE N N 90 123.484 123.484 118.554 4.930 25143 1191 1 5 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.810 -0.027 25143 1192 1 5 . 1 1 90 90 ILE CA C 90 62.878 62.878 64.157 -1.279 25143 1193 1 5 . 1 1 90 90 ILE CB C 90 37.483 37.483 37.966 -0.483 25143 1194 1 5 . 1 1 90 90 ILE H H 90 8.908 8.908 7.910 0.998 25143 1195 1 5 . 1 1 91 91 CYS N N 91 120.890 120.890 115.048 5.842 25143 1196 1 5 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.237 0.280 25143 1197 1 5 . 1 1 91 91 CYS CA C 91 60.891 60.891 58.990 1.901 25143 1198 1 5 . 1 1 91 91 CYS CB C 91 31.244 31.244 26.959 4.285 25143 1199 1 5 . 1 1 91 91 CYS H H 91 8.587 8.587 7.720 0.867 25143 1200 1 5 . 1 1 92 92 GLN N N 92 116.563 116.563 118.677 -2.114 25143 1201 1 5 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.239 -0.107 25143 1202 1 5 . 1 1 92 92 GLN CA C 92 56.824 56.824 56.890 -0.066 25143 1203 1 5 . 1 1 92 92 GLN CB C 92 27.216 27.216 29.403 -2.187 25143 1204 1 5 . 1 1 92 92 GLN H H 92 7.787 7.787 7.264 0.523 25143 1205 1 5 . 1 1 93 93 ALA N N 93 125.273 125.273 123.962 1.311 25143 1206 1 5 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.286 0.275 25143 1207 1 5 . 1 1 93 93 ALA CA C 93 50.862 50.862 51.108 -0.246 25143 1208 1 5 . 1 1 93 93 ALA CB C 93 18.415 18.415 18.855 -0.440 25143 1209 1 5 . 1 1 93 93 ALA H H 93 8.031 8.031 7.438 0.593 25143 1210 1 5 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.460 0.078 25143 1211 1 5 . 1 1 94 94 PRO CA C 94 62.513 62.513 63.005 -0.492 25143 1212 1 5 . 1 1 94 94 PRO CB C 94 31.684 31.684 31.738 -0.055 25143 1213 1 5 . 1 1 95 95 TRP N N 95 121.986 121.986 126.644 -4.658 25143 1214 1 5 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.899 0.143 25143 1215 1 5 . 1 1 95 95 TRP CA C 95 54.005 54.005 54.562 -0.557 25143 1216 1 5 . 1 1 95 95 TRP CB C 95 28.846 28.846 30.856 -2.010 25143 1217 1 5 . 1 1 95 95 TRP H H 95 8.012 8.012 8.484 -0.472 25143 1218 1 5 . 1 1 96 96 PRO CA C 96 62.690 62.690 62.632 0.058 25143 1219 1 5 . 1 1 96 96 PRO CB C 96 31.770 31.770 31.142 0.628 25143 1220 1 5 . 1 1 97 97 LEU N N 97 122.075 122.075 124.604 -2.529 25143 1221 1 5 . 1 1 97 97 LEU HA H 97 4.299 4.299 4.109 0.190 25143 1222 1 5 . 1 1 97 97 LEU CA C 97 55.206 55.206 55.644 -0.438 25143 1223 1 5 . 1 1 97 97 LEU CB C 97 42.046 42.046 42.161 -0.115 25143 1224 1 5 . 1 1 97 97 LEU H H 97 8.145 8.145 8.092 0.053 25143 1225 1 5 . 1 1 98 98 GLY N N 98 110.020 110.020 110.691 -0.671 25143 1226 1 5 . 1 1 98 98 GLY CA C 98 45.085 45.085 45.697 -0.612 25143 1227 1 5 . 1 1 98 98 GLY H H 98 8.444 8.444 8.671 -0.228 25143 1228 1 5 . 1 1 99 99 ALA N N 99 123.511 123.511 122.288 1.223 25143 1229 1 5 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.500 -0.201 25143 1230 1 5 . 1 1 99 99 ALA CA C 99 52.249 52.249 52.398 -0.149 25143 1231 1 5 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.645 -0.709 25143 1232 1 5 . 1 1 99 99 ALA H H 99 8.176 8.176 8.207 -0.031 25143 1233 1 5 . 1 1 100 100 ASP N N 100 119.098 119.098 121.005 -1.907 25143 1234 1 5 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.748 -0.187 25143 1235 1 5 . 1 1 100 100 ASP CA C 100 53.912 53.912 53.667 0.245 25143 1236 1 5 . 1 1 100 100 ASP CB C 100 40.580 40.580 41.808 -1.228 25143 1237 1 5 . 1 1 100 100 ASP H H 100 8.383 8.383 8.202 0.181 25143 1238 1 5 . 1 1 101 101 THR N N 101 116.696 116.696 120.804 -4.108 25143 1239 1 5 . 1 1 101 101 THR HA H 101 4.517 4.517 4.621 -0.104 25143 1240 1 5 . 1 1 101 101 THR CA C 101 59.551 59.551 60.084 -0.533 25143 1241 1 5 . 1 1 101 101 THR CB C 101 69.589 69.589 68.059 1.530 25143 1242 1 5 . 1 1 101 101 THR H H 101 8.017 8.017 8.166 -0.149 25143 1243 1 5 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.451 -0.115 25143 1244 1 5 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.475 0.409 25143 1245 1 5 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.382 -0.615 25143 1246 1 5 . 1 1 103 103 ALA N N 103 125.184 125.184 122.307 2.877 25143 1247 1 5 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.719 -0.434 25143 1248 1 5 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.738 0.279 25143 1249 1 5 . 1 1 103 103 ALA CB C 103 18.974 18.974 20.529 -1.555 25143 1250 1 5 . 1 1 103 103 ALA H H 103 8.333 8.333 8.084 0.249 25143 1251 1 6 . 1 1 50 50 GLU N N 50 120.583 120.583 121.050 -0.467 25143 1252 1 6 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.639 -0.471 25143 1253 1 6 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.472 0.352 25143 1254 1 6 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.723 -1.005 25143 1255 1 6 . 1 1 50 50 GLU H H 50 8.300 8.300 8.744 -0.444 25143 1256 1 6 . 1 1 51 51 GLU N N 51 121.142 121.142 121.703 -0.561 25143 1257 1 6 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.370 -0.246 25143 1258 1 6 . 1 1 51 51 GLU CA C 51 56.362 56.362 56.700 -0.338 25143 1259 1 6 . 1 1 51 51 GLU CB C 51 29.727 29.727 30.372 -0.645 25143 1260 1 6 . 1 1 51 51 GLU H H 51 8.140 8.140 8.794 -0.654 25143 1261 1 6 . 1 1 52 52 PHE N N 52 120.500 120.500 121.469 -0.969 25143 1262 1 6 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.817 -0.302 25143 1263 1 6 . 1 1 52 52 PHE CA C 52 57.409 57.409 56.716 0.693 25143 1264 1 6 . 1 1 52 52 PHE CB C 52 39.326 39.326 38.158 1.168 25143 1265 1 6 . 1 1 52 52 PHE H H 52 8.106 8.106 8.093 0.013 25143 1266 1 6 . 1 1 53 53 GLN N N 53 121.616 121.616 121.090 0.526 25143 1267 1 6 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.490 -0.278 25143 1268 1 6 . 1 1 53 53 GLN CA C 53 55.345 55.345 55.280 0.065 25143 1269 1 6 . 1 1 53 53 GLN CB C 53 29.357 29.357 30.098 -0.741 25143 1270 1 6 . 1 1 53 53 GLN H H 53 8.047 8.047 8.132 -0.085 25143 1271 1 6 . 1 1 54 54 PHE N N 54 120.217 120.217 118.891 1.326 25143 1272 1 6 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.617 0.031 25143 1273 1 6 . 1 1 54 54 PHE CA C 54 56.824 56.824 58.724 -1.900 25143 1274 1 6 . 1 1 54 54 PHE CB C 54 39.522 39.522 39.592 -0.070 25143 1275 1 6 . 1 1 54 54 PHE H H 54 7.956 7.956 8.538 -0.582 25143 1276 1 6 . 1 1 55 55 LEU N N 55 123.391 123.391 123.821 -0.430 25143 1277 1 6 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.827 -0.441 25143 1278 1 6 . 1 1 55 55 LEU CA C 55 54.421 54.421 53.852 0.569 25143 1279 1 6 . 1 1 55 55 LEU CB C 55 43.024 43.024 44.593 -1.569 25143 1280 1 6 . 1 1 55 55 LEU H H 55 8.567 8.567 8.527 0.040 25143 1281 1 6 . 1 1 56 56 ARG N N 56 120.442 120.442 120.798 -0.356 25143 1282 1 6 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.697 -0.128 25143 1283 1 6 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.749 -0.196 25143 1284 1 6 . 1 1 56 56 ARG CB C 56 31.817 31.817 32.536 -0.719 25143 1285 1 6 . 1 1 56 56 ARG H H 56 8.101 8.101 8.492 -0.391 25143 1286 1 6 . 1 1 57 57 CYS N N 57 123.891 123.891 126.504 -2.613 25143 1287 1 6 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.222 -0.269 25143 1288 1 6 . 1 1 57 57 CYS CA C 57 59.135 59.135 60.641 -1.506 25143 1289 1 6 . 1 1 57 57 CYS CB C 57 31.290 31.290 29.644 1.646 25143 1290 1 6 . 1 1 57 57 CYS H H 57 8.828 8.828 8.563 0.265 25143 1291 1 6 . 1 1 58 58 GLN N N 58 128.172 128.172 128.030 0.142 25143 1292 1 6 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.106 0.015 25143 1293 1 6 . 1 1 58 58 GLN CA C 58 58.528 58.528 58.167 0.361 25143 1294 1 6 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.370 1.580 25143 1295 1 6 . 1 1 58 58 GLN H H 58 9.222 9.222 8.626 0.596 25143 1296 1 6 . 1 1 59 59 GLN N N 59 121.709 121.709 117.382 4.327 25143 1297 1 6 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.341 0.248 25143 1298 1 6 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.142 0.467 25143 1299 1 6 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.076 0.641 25143 1300 1 6 . 1 1 59 59 GLN H H 59 9.200 9.200 8.142 1.058 25143 1301 1 6 . 1 1 60 60 CYS N N 60 119.482 119.482 116.526 2.956 25143 1302 1 6 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.657 0.137 25143 1303 1 6 . 1 1 60 60 CYS CA C 60 59.458 59.458 58.545 0.913 25143 1304 1 6 . 1 1 60 60 CYS CB C 60 32.179 32.179 29.874 2.305 25143 1305 1 6 . 1 1 60 60 CYS H H 60 8.566 8.566 7.475 1.091 25143 1306 1 6 . 1 1 61 61 GLN N N 61 115.153 115.153 119.415 -4.262 25143 1307 1 6 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.986 0.167 25143 1308 1 6 . 1 1 61 61 GLN CA C 61 57.979 57.979 56.883 1.096 25143 1309 1 6 . 1 1 61 61 GLN CB C 61 25.342 25.342 27.183 -1.841 25143 1310 1 6 . 1 1 61 61 GLN H H 61 7.672 7.672 8.348 -0.676 25143 1311 1 6 . 1 1 62 62 ALA N N 62 124.669 124.669 118.860 5.809 25143 1312 1 6 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.545 -0.108 25143 1313 1 6 . 1 1 62 62 ALA CA C 62 52.064 52.064 51.252 0.812 25143 1314 1 6 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.464 -0.642 25143 1315 1 6 . 1 1 62 62 ALA H H 62 8.728 8.728 7.473 1.255 25143 1316 1 6 . 1 1 63 63 GLU N N 63 119.649 119.649 120.008 -0.359 25143 1317 1 6 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.078 -0.041 25143 1318 1 6 . 1 1 63 63 GLU CA C 63 57.332 57.332 56.953 0.379 25143 1319 1 6 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.346 -0.084 25143 1320 1 6 . 1 1 63 63 GLU H H 63 8.523 8.523 8.483 0.040 25143 1321 1 6 . 1 1 64 64 ALA N N 64 128.762 128.762 128.079 0.683 25143 1322 1 6 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.313 0.073 25143 1323 1 6 . 1 1 64 64 ALA CA C 64 50.354 50.354 52.172 -1.819 25143 1324 1 6 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.669 -1.334 25143 1325 1 6 . 1 1 64 64 ALA H H 64 8.581 8.581 8.359 0.222 25143 1326 1 6 . 1 1 65 65 LYS N N 65 122.223 122.223 121.914 0.309 25143 1327 1 6 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.174 -0.093 25143 1328 1 6 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.112 -1.058 25143 1329 1 6 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.814 -0.508 25143 1330 1 6 . 1 1 65 65 LYS H H 65 8.175 8.175 8.404 -0.229 25143 1331 1 6 . 1 1 66 66 CYS N N 66 117.296 117.296 117.743 -0.447 25143 1332 1 6 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.823 -0.131 25143 1333 1 6 . 1 1 66 66 CYS CA C 66 53.727 53.727 56.007 -2.280 25143 1334 1 6 . 1 1 66 66 CYS H H 66 8.790 8.790 8.187 0.603 25143 1335 1 6 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.482 -0.085 25143 1336 1 6 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.677 0.152 25143 1337 1 6 . 1 1 67 67 PRO CB C 67 31.785 31.785 30.143 1.642 25143 1338 1 6 . 1 1 68 68 LYS N N 68 121.724 121.724 122.656 -0.932 25143 1339 1 6 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.303 -0.018 25143 1340 1 6 . 1 1 68 68 LYS CA C 68 54.929 54.929 55.850 -0.921 25143 1341 1 6 . 1 1 68 68 LYS CB C 68 33.327 33.327 32.349 0.978 25143 1342 1 6 . 1 1 68 68 LYS H H 68 8.662 8.662 8.340 0.322 25143 1343 1 6 . 1 1 69 69 LEU N N 69 125.851 125.851 126.229 -0.378 25143 1344 1 6 . 1 1 69 69 LEU HA H 69 4.474 4.474 4.742 -0.268 25143 1345 1 6 . 1 1 69 69 LEU CA C 69 54.454 54.454 54.711 -0.257 25143 1346 1 6 . 1 1 69 69 LEU CB C 69 41.720 41.720 43.426 -1.706 25143 1347 1 6 . 1 1 69 69 LEU H H 69 8.320 8.320 8.333 -0.013 25143 1348 1 6 . 1 1 70 70 LEU N N 70 128.488 128.488 125.447 3.041 25143 1349 1 6 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.896 -0.248 25143 1350 1 6 . 1 1 70 70 LEU CA C 70 53.127 53.127 52.130 0.997 25143 1351 1 6 . 1 1 70 70 LEU CB C 70 42.832 42.832 42.804 0.028 25143 1352 1 6 . 1 1 70 70 LEU H H 70 8.677 8.677 8.184 0.493 25143 1353 1 6 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.348 -0.072 25143 1354 1 6 . 1 1 71 71 PRO CA C 71 64.790 64.790 65.199 -0.409 25143 1355 1 6 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.829 -0.369 25143 1356 1 6 . 1 1 72 72 CYS N N 72 112.135 112.135 117.223 -5.088 25143 1357 1 6 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.393 -0.119 25143 1358 1 6 . 1 1 72 72 CYS CA C 72 57.194 57.194 58.131 -0.937 25143 1359 1 6 . 1 1 72 72 CYS CB C 72 31.085 31.085 26.442 4.643 25143 1360 1 6 . 1 1 72 72 CYS H H 72 7.204 7.204 7.566 -0.362 25143 1361 1 6 . 1 1 73 73 LEU N N 73 114.341 114.341 116.291 -1.950 25143 1362 1 6 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.971 -0.103 25143 1363 1 6 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.946 0.554 25143 1364 1 6 . 1 1 73 73 LEU CB C 73 37.671 37.671 39.841 -2.170 25143 1365 1 6 . 1 1 73 73 LEU H H 73 8.043 8.043 7.147 0.896 25143 1366 1 6 . 1 1 74 74 HIS N N 74 120.386 120.386 116.224 4.162 25143 1367 1 6 . 1 1 74 74 HIS HA H 74 4.990 4.990 4.771 0.219 25143 1368 1 6 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.752 3.920 25143 1369 1 6 . 1 1 74 74 HIS CB C 74 31.354 31.354 31.690 -0.336 25143 1370 1 6 . 1 1 74 74 HIS H H 74 7.831 7.831 7.843 -0.012 25143 1371 1 6 . 1 1 75 75 THR N N 75 118.963 118.963 118.316 0.647 25143 1372 1 6 . 1 1 75 75 THR HA H 75 4.730 4.730 4.685 0.045 25143 1373 1 6 . 1 1 75 75 THR CA C 75 62.185 62.185 62.557 -0.372 25143 1374 1 6 . 1 1 75 75 THR CB C 75 69.640 69.640 69.483 0.157 25143 1375 1 6 . 1 1 75 75 THR H H 75 8.889 8.889 8.597 0.292 25143 1376 1 6 . 1 1 76 76 LEU N N 76 128.330 128.330 126.524 1.806 25143 1377 1 6 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.839 1.094 25143 1378 1 6 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.810 -2.301 25143 1379 1 6 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.494 -1.300 25143 1380 1 6 . 1 1 76 76 LEU H H 76 8.767 8.767 8.694 0.073 25143 1381 1 6 . 1 1 77 77 CYS N N 77 119.360 119.360 116.534 2.826 25143 1382 1 6 . 1 1 77 77 CYS HA H 77 4.732 4.732 5.461 -0.729 25143 1383 1 6 . 1 1 77 77 CYS CA C 77 56.870 56.870 55.776 1.094 25143 1384 1 6 . 1 1 77 77 CYS CB C 77 31.698 31.698 30.710 0.988 25143 1385 1 6 . 1 1 77 77 CYS H H 77 9.510 9.510 8.282 1.228 25143 1386 1 6 . 1 1 78 78 SER N N 78 114.841 114.841 118.367 -3.526 25143 1387 1 6 . 1 1 78 78 SER HA H 78 4.037 4.037 4.087 -0.050 25143 1388 1 6 . 1 1 78 78 SER CA C 78 61.756 61.756 62.180 -0.424 25143 1389 1 6 . 1 1 78 78 SER CB C 78 62.254 62.254 62.582 -0.328 25143 1390 1 6 . 1 1 78 78 SER H H 78 8.593 8.593 8.931 -0.338 25143 1391 1 6 . 1 1 79 79 GLY N N 79 111.904 111.904 109.656 2.248 25143 1392 1 6 . 1 1 79 79 GLY CA C 79 46.777 46.777 47.143 -0.366 25143 1393 1 6 . 1 1 79 79 GLY H H 79 8.391 8.391 8.910 -0.519 25143 1394 1 6 . 1 1 80 80 CYS N N 80 126.807 126.807 120.837 5.970 25143 1395 1 6 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.184 -0.230 25143 1396 1 6 . 1 1 80 80 CYS CA C 80 65.189 65.189 64.199 0.990 25143 1397 1 6 . 1 1 80 80 CYS CB C 80 28.846 28.846 27.960 0.886 25143 1398 1 6 . 1 1 80 80 CYS H H 80 9.039 9.039 7.941 1.098 25143 1399 1 6 . 1 1 81 81 LEU N N 81 120.440 120.440 122.614 -2.174 25143 1400 1 6 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.225 -0.093 25143 1401 1 6 . 1 1 81 81 LEU CA C 81 57.443 57.443 58.123 -0.680 25143 1402 1 6 . 1 1 81 81 LEU CB C 81 41.782 41.782 42.202 -0.420 25143 1403 1 6 . 1 1 81 81 LEU H H 81 8.109 8.109 7.902 0.207 25143 1404 1 6 . 1 1 82 82 GLU N N 82 120.149 120.149 116.349 3.800 25143 1405 1 6 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.067 -0.030 25143 1406 1 6 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.172 0.147 25143 1407 1 6 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.834 -0.907 25143 1408 1 6 . 1 1 82 82 GLU H H 82 8.432 8.432 8.414 0.018 25143 1409 1 6 . 1 1 83 83 ALA N N 83 120.334 120.334 122.373 -2.039 25143 1410 1 6 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.340 -0.041 25143 1411 1 6 . 1 1 83 83 ALA CA C 83 53.543 53.543 54.208 -0.665 25143 1412 1 6 . 1 1 83 83 ALA CB C 83 18.334 18.334 19.316 -0.982 25143 1413 1 6 . 1 1 83 83 ALA H H 83 7.715 7.715 7.641 0.074 25143 1414 1 6 . 1 1 84 84 SER N N 84 112.368 112.368 113.822 -1.454 25143 1415 1 6 . 1 1 84 84 SER HA H 84 4.494 4.494 4.722 -0.228 25143 1416 1 6 . 1 1 84 84 SER CA C 84 58.210 58.210 56.998 1.212 25143 1417 1 6 . 1 1 84 84 SER CB C 84 63.837 63.837 62.617 1.220 25143 1418 1 6 . 1 1 84 84 SER H H 84 7.570 7.570 8.317 -0.747 25143 1419 1 6 . 1 1 85 85 GLY N N 85 110.612 110.612 109.944 0.668 25143 1420 1 6 . 1 1 85 85 GLY CA C 85 46.841 46.841 45.789 1.052 25143 1421 1 6 . 1 1 85 85 GLY H H 85 7.955 7.955 7.261 0.694 25143 1422 1 6 . 1 1 86 86 MET N N 86 113.856 113.856 121.467 -7.611 25143 1423 1 6 . 1 1 86 86 MET HA H 86 3.804 3.804 4.447 -0.643 25143 1424 1 6 . 1 1 86 86 MET CA C 86 55.160 55.160 55.254 -0.094 25143 1425 1 6 . 1 1 86 86 MET CB C 86 28.494 28.494 32.533 -4.039 25143 1426 1 6 . 1 1 86 86 MET H H 86 8.489 8.489 8.334 0.155 25143 1427 1 6 . 1 1 87 87 GLN N N 87 116.394 116.394 118.519 -2.125 25143 1428 1 6 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.592 -0.143 25143 1429 1 6 . 1 1 87 87 GLN CA C 87 53.404 53.404 54.881 -1.477 25143 1430 1 6 . 1 1 87 87 GLN CB C 87 30.964 30.964 32.023 -1.059 25143 1431 1 6 . 1 1 87 87 GLN H H 87 7.188 7.188 7.553 -0.365 25143 1432 1 6 . 1 1 88 88 CYS N N 88 124.484 124.484 119.085 5.399 25143 1433 1 6 . 1 1 88 88 CYS HA H 88 4.300 4.300 5.026 -0.726 25143 1434 1 6 . 1 1 88 88 CYS CA C 88 57.101 57.101 55.283 1.818 25143 1435 1 6 . 1 1 88 88 CYS CB C 88 31.117 31.117 29.849 1.268 25143 1436 1 6 . 1 1 88 88 CYS H H 88 8.616 8.616 8.725 -0.109 25143 1437 1 6 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.464 0.045 25143 1438 1 6 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.065 -0.350 25143 1439 1 6 . 1 1 89 89 PRO CB C 89 31.717 31.717 31.770 -0.054 25143 1440 1 6 . 1 1 90 90 ILE N N 90 123.484 123.484 118.609 4.875 25143 1441 1 6 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.873 -0.090 25143 1442 1 6 . 1 1 90 90 ILE CA C 90 62.878 62.878 64.600 -1.722 25143 1443 1 6 . 1 1 90 90 ILE CB C 90 37.483 37.483 37.868 -0.385 25143 1444 1 6 . 1 1 90 90 ILE H H 90 8.908 8.908 8.411 0.497 25143 1445 1 6 . 1 1 91 91 CYS N N 91 120.890 120.890 114.833 6.057 25143 1446 1 6 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.586 -0.069 25143 1447 1 6 . 1 1 91 91 CYS CA C 91 60.891 60.891 58.324 2.567 25143 1448 1 6 . 1 1 91 91 CYS CB C 91 31.244 31.244 29.025 2.219 25143 1449 1 6 . 1 1 91 91 CYS H H 91 8.587 8.587 7.878 0.709 25143 1450 1 6 . 1 1 92 92 GLN N N 92 116.563 116.563 120.582 -4.019 25143 1451 1 6 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.113 0.019 25143 1452 1 6 . 1 1 92 92 GLN CA C 92 56.824 56.824 57.566 -0.742 25143 1453 1 6 . 1 1 92 92 GLN CB C 92 27.216 27.216 28.942 -1.726 25143 1454 1 6 . 1 1 92 92 GLN H H 92 7.787 7.787 7.881 -0.094 25143 1455 1 6 . 1 1 93 93 ALA N N 93 125.273 125.273 123.697 1.576 25143 1456 1 6 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.441 0.120 25143 1457 1 6 . 1 1 93 93 ALA CA C 93 50.862 50.862 50.608 0.254 25143 1458 1 6 . 1 1 93 93 ALA CB C 93 18.415 18.415 18.317 0.098 25143 1459 1 6 . 1 1 93 93 ALA H H 93 8.031 8.031 7.402 0.629 25143 1460 1 6 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.100 0.438 25143 1461 1 6 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.294 0.219 25143 1462 1 6 . 1 1 94 94 PRO CB C 94 31.684 31.684 32.390 -0.706 25143 1463 1 6 . 1 1 95 95 TRP N N 95 121.986 121.986 118.585 3.401 25143 1464 1 6 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.975 0.067 25143 1465 1 6 . 1 1 95 95 TRP CA C 95 54.005 54.005 54.623 -0.618 25143 1466 1 6 . 1 1 95 95 TRP CB C 95 28.846 28.846 28.450 0.396 25143 1467 1 6 . 1 1 95 95 TRP H H 95 8.012 8.012 8.112 -0.100 25143 1468 1 6 . 1 1 96 96 PRO CA C 96 62.690 62.690 62.752 -0.062 25143 1469 1 6 . 1 1 96 96 PRO CB C 96 31.770 31.770 33.073 -1.303 25143 1470 1 6 . 1 1 97 97 LEU N N 97 122.075 122.075 115.679 6.396 25143 1471 1 6 . 1 1 97 97 LEU HA H 97 4.299 4.299 4.797 -0.498 25143 1472 1 6 . 1 1 97 97 LEU CA C 97 55.206 55.206 54.494 0.712 25143 1473 1 6 . 1 1 97 97 LEU CB C 97 42.046 42.046 42.514 -0.468 25143 1474 1 6 . 1 1 97 97 LEU H H 97 8.145 8.145 7.946 0.199 25143 1475 1 6 . 1 1 98 98 GLY N N 98 110.020 110.020 109.223 0.797 25143 1476 1 6 . 1 1 98 98 GLY CA C 98 45.085 45.085 45.436 -0.351 25143 1477 1 6 . 1 1 98 98 GLY H H 98 8.444 8.444 7.864 0.580 25143 1478 1 6 . 1 1 99 99 ALA N N 99 123.511 123.511 125.217 -1.706 25143 1479 1 6 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.091 0.208 25143 1480 1 6 . 1 1 99 99 ALA CA C 99 52.249 52.249 52.466 -0.217 25143 1481 1 6 . 1 1 99 99 ALA CB C 99 18.936 18.936 18.855 0.081 25143 1482 1 6 . 1 1 99 99 ALA H H 99 8.176 8.176 8.043 0.133 25143 1483 1 6 . 1 1 100 100 ASP N N 100 119.098 119.098 118.909 0.189 25143 1484 1 6 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.778 -0.217 25143 1485 1 6 . 1 1 100 100 ASP CA C 100 53.912 53.912 53.411 0.501 25143 1486 1 6 . 1 1 100 100 ASP CB C 100 40.580 40.580 41.887 -1.307 25143 1487 1 6 . 1 1 100 100 ASP H H 100 8.383 8.383 8.463 -0.080 25143 1488 1 6 . 1 1 101 101 THR N N 101 116.696 116.696 112.581 4.115 25143 1489 1 6 . 1 1 101 101 THR HA H 101 4.517 4.517 4.727 -0.210 25143 1490 1 6 . 1 1 101 101 THR CA C 101 59.551 59.551 58.462 1.089 25143 1491 1 6 . 1 1 101 101 THR CB C 101 69.589 69.589 69.876 -0.287 25143 1492 1 6 . 1 1 101 101 THR H H 101 8.017 8.017 7.996 0.021 25143 1493 1 6 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.378 -0.042 25143 1494 1 6 . 1 1 102 102 PRO CA C 102 62.884 62.884 63.515 -0.631 25143 1495 1 6 . 1 1 102 102 PRO CB C 102 31.767 31.767 31.804 -0.037 25143 1496 1 6 . 1 1 103 103 ALA N N 103 125.184 125.184 122.791 2.393 25143 1497 1 6 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.531 -0.246 25143 1498 1 6 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.374 0.643 25143 1499 1 6 . 1 1 103 103 ALA CB C 103 18.974 18.974 20.585 -1.611 25143 1500 1 6 . 1 1 103 103 ALA H H 103 8.333 8.333 7.575 0.758 25143 1501 1 7 . 1 1 50 50 GLU N N 50 120.583 120.583 123.094 -2.511 25143 1502 1 7 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.435 -0.267 25143 1503 1 7 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.011 0.813 25143 1504 1 7 . 1 1 50 50 GLU CB C 50 29.718 29.718 28.984 0.734 25143 1505 1 7 . 1 1 50 50 GLU H H 50 8.300 8.300 8.495 -0.195 25143 1506 1 7 . 1 1 51 51 GLU N N 51 121.142 121.142 121.118 0.024 25143 1507 1 7 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.217 -0.093 25143 1508 1 7 . 1 1 51 51 GLU CA C 51 56.362 56.362 56.471 -0.109 25143 1509 1 7 . 1 1 51 51 GLU CB C 51 29.727 29.727 30.444 -0.717 25143 1510 1 7 . 1 1 51 51 GLU H H 51 8.140 8.140 7.860 0.280 25143 1511 1 7 . 1 1 52 52 PHE N N 52 120.500 120.500 126.916 -6.416 25143 1512 1 7 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.554 -0.039 25143 1513 1 7 . 1 1 52 52 PHE CA C 52 57.409 57.409 57.913 -0.504 25143 1514 1 7 . 1 1 52 52 PHE CB C 52 39.326 39.326 38.090 1.236 25143 1515 1 7 . 1 1 52 52 PHE H H 52 8.106 8.106 8.720 -0.614 25143 1516 1 7 . 1 1 53 53 GLN N N 53 121.616 121.616 123.736 -2.120 25143 1517 1 7 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.542 -0.330 25143 1518 1 7 . 1 1 53 53 GLN CA C 53 55.345 55.345 55.015 0.330 25143 1519 1 7 . 1 1 53 53 GLN CB C 53 29.357 29.357 31.036 -1.679 25143 1520 1 7 . 1 1 53 53 GLN H H 53 8.047 8.047 7.968 0.079 25143 1521 1 7 . 1 1 54 54 PHE N N 54 120.217 120.217 119.642 0.575 25143 1522 1 7 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.574 0.074 25143 1523 1 7 . 1 1 54 54 PHE CA C 54 56.824 56.824 57.036 -0.212 25143 1524 1 7 . 1 1 54 54 PHE CB C 54 39.522 39.522 41.017 -1.495 25143 1525 1 7 . 1 1 54 54 PHE H H 54 7.956 7.956 8.448 -0.492 25143 1526 1 7 . 1 1 55 55 LEU N N 55 123.391 123.391 124.076 -0.685 25143 1527 1 7 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.653 -0.267 25143 1528 1 7 . 1 1 55 55 LEU CA C 55 54.421 54.421 54.639 -0.218 25143 1529 1 7 . 1 1 55 55 LEU CB C 55 43.024 43.024 43.653 -0.629 25143 1530 1 7 . 1 1 55 55 LEU H H 55 8.567 8.567 8.774 -0.207 25143 1531 1 7 . 1 1 56 56 ARG N N 56 120.442 120.442 123.305 -2.863 25143 1532 1 7 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.643 -0.074 25143 1533 1 7 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.906 -0.353 25143 1534 1 7 . 1 1 56 56 ARG CB C 56 31.817 31.817 32.856 -1.039 25143 1535 1 7 . 1 1 56 56 ARG H H 56 8.101 8.101 8.366 -0.265 25143 1536 1 7 . 1 1 57 57 CYS N N 57 123.891 123.891 124.212 -0.321 25143 1537 1 7 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.439 -0.486 25143 1538 1 7 . 1 1 57 57 CYS CA C 57 59.135 59.135 58.838 0.297 25143 1539 1 7 . 1 1 57 57 CYS CB C 57 31.290 31.290 30.150 1.140 25143 1540 1 7 . 1 1 57 57 CYS H H 57 8.828 8.828 8.354 0.474 25143 1541 1 7 . 1 1 58 58 GLN N N 58 128.172 128.172 128.427 -0.255 25143 1542 1 7 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.102 0.019 25143 1543 1 7 . 1 1 58 58 GLN CA C 58 58.528 58.528 58.528 -0.000 25143 1544 1 7 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.733 1.217 25143 1545 1 7 . 1 1 58 58 GLN H H 58 9.222 9.222 8.836 0.386 25143 1546 1 7 . 1 1 59 59 GLN N N 59 121.709 121.709 117.881 3.828 25143 1547 1 7 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.311 0.278 25143 1548 1 7 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.556 0.053 25143 1549 1 7 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.272 0.445 25143 1550 1 7 . 1 1 59 59 GLN H H 59 9.200 9.200 8.105 1.095 25143 1551 1 7 . 1 1 60 60 CYS N N 60 119.482 119.482 116.882 2.600 25143 1552 1 7 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.756 0.038 25143 1553 1 7 . 1 1 60 60 CYS CA C 60 59.458 59.458 58.362 1.096 25143 1554 1 7 . 1 1 60 60 CYS CB C 60 32.179 32.179 30.163 2.015 25143 1555 1 7 . 1 1 60 60 CYS H H 60 8.566 8.566 7.517 1.049 25143 1556 1 7 . 1 1 61 61 GLN N N 61 115.153 115.153 117.740 -2.587 25143 1557 1 7 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.945 0.208 25143 1558 1 7 . 1 1 61 61 GLN CA C 61 57.979 57.979 57.209 0.770 25143 1559 1 7 . 1 1 61 61 GLN CB C 61 25.342 25.342 27.960 -2.618 25143 1560 1 7 . 1 1 61 61 GLN H H 61 7.672 7.672 8.103 -0.431 25143 1561 1 7 . 1 1 62 62 ALA N N 62 124.669 124.669 119.735 4.934 25143 1562 1 7 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.550 -0.113 25143 1563 1 7 . 1 1 62 62 ALA CA C 62 52.064 52.064 50.407 1.657 25143 1564 1 7 . 1 1 62 62 ALA CB C 62 20.822 20.822 20.897 -0.075 25143 1565 1 7 . 1 1 62 62 ALA H H 62 8.728 8.728 7.809 0.919 25143 1566 1 7 . 1 1 63 63 GLU N N 63 119.649 119.649 120.552 -0.903 25143 1567 1 7 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.013 0.024 25143 1568 1 7 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.396 -0.064 25143 1569 1 7 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.423 -0.161 25143 1570 1 7 . 1 1 63 63 GLU H H 63 8.523 8.523 8.543 -0.020 25143 1571 1 7 . 1 1 64 64 ALA N N 64 128.762 128.762 128.494 0.268 25143 1572 1 7 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.286 0.100 25143 1573 1 7 . 1 1 64 64 ALA CA C 64 50.354 50.354 51.897 -1.543 25143 1574 1 7 . 1 1 64 64 ALA CB C 64 18.335 18.335 18.245 0.090 25143 1575 1 7 . 1 1 64 64 ALA H H 64 8.581 8.581 8.411 0.170 25143 1576 1 7 . 1 1 65 65 LYS N N 65 122.223 122.223 122.237 -0.014 25143 1577 1 7 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.045 0.036 25143 1578 1 7 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.121 -1.066 25143 1579 1 7 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.584 -0.278 25143 1580 1 7 . 1 1 65 65 LYS H H 65 8.175 8.175 8.185 -0.010 25143 1581 1 7 . 1 1 66 66 CYS N N 66 117.296 117.296 118.692 -1.396 25143 1582 1 7 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.799 -0.107 25143 1583 1 7 . 1 1 66 66 CYS CA C 66 53.727 53.727 55.946 -2.219 25143 1584 1 7 . 1 1 66 66 CYS H H 66 8.790 8.790 7.808 0.982 25143 1585 1 7 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.489 -0.092 25143 1586 1 7 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.794 0.035 25143 1587 1 7 . 1 1 67 67 PRO CB C 67 31.785 31.785 31.835 -0.050 25143 1588 1 7 . 1 1 68 68 LYS N N 68 121.724 121.724 125.263 -3.539 25143 1589 1 7 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.713 -0.428 25143 1590 1 7 . 1 1 68 68 LYS CA C 68 54.929 54.929 55.135 -0.206 25143 1591 1 7 . 1 1 68 68 LYS CB C 68 33.327 33.327 36.249 -2.922 25143 1592 1 7 . 1 1 68 68 LYS H H 68 8.662 8.662 8.953 -0.291 25143 1593 1 7 . 1 1 69 69 LEU N N 69 125.851 125.851 124.065 1.786 25143 1594 1 7 . 1 1 69 69 LEU HA H 69 4.474 4.474 5.023 -0.549 25143 1595 1 7 . 1 1 69 69 LEU CA C 69 54.454 54.454 54.340 0.114 25143 1596 1 7 . 1 1 69 69 LEU CB C 69 41.720 41.720 43.892 -2.171 25143 1597 1 7 . 1 1 69 69 LEU H H 69 8.320 8.320 8.506 -0.186 25143 1598 1 7 . 1 1 70 70 LEU N N 70 128.488 128.488 121.093 7.395 25143 1599 1 7 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.881 -0.233 25143 1600 1 7 . 1 1 70 70 LEU CA C 70 53.127 53.127 52.308 0.819 25143 1601 1 7 . 1 1 70 70 LEU CB C 70 42.832 42.832 43.791 -0.959 25143 1602 1 7 . 1 1 70 70 LEU H H 70 8.677 8.677 8.007 0.670 25143 1603 1 7 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.359 -0.083 25143 1604 1 7 . 1 1 71 71 PRO CA C 71 64.790 64.790 65.680 -0.890 25143 1605 1 7 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.750 -0.290 25143 1606 1 7 . 1 1 72 72 CYS N N 72 112.135 112.135 117.288 -5.153 25143 1607 1 7 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.623 -0.349 25143 1608 1 7 . 1 1 72 72 CYS CA C 72 57.194 57.194 58.212 -1.018 25143 1609 1 7 . 1 1 72 72 CYS CB C 72 31.085 31.085 27.136 3.949 25143 1610 1 7 . 1 1 72 72 CYS H H 72 7.204 7.204 7.822 -0.618 25143 1611 1 7 . 1 1 73 73 LEU N N 73 114.341 114.341 119.066 -4.725 25143 1612 1 7 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.988 -0.120 25143 1613 1 7 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.744 0.756 25143 1614 1 7 . 1 1 73 73 LEU CB C 73 37.671 37.671 39.031 -1.360 25143 1615 1 7 . 1 1 73 73 LEU H H 73 8.043 8.043 7.432 0.611 25143 1616 1 7 . 1 1 74 74 HIS N N 74 120.386 120.386 116.996 3.390 25143 1617 1 7 . 1 1 74 74 HIS HA H 74 4.990 4.990 4.788 0.202 25143 1618 1 7 . 1 1 74 74 HIS CA C 74 58.672 58.672 55.130 3.542 25143 1619 1 7 . 1 1 74 74 HIS CB C 74 31.354 31.354 32.509 -1.155 25143 1620 1 7 . 1 1 74 74 HIS H H 74 7.831 7.831 7.872 -0.041 25143 1621 1 7 . 1 1 75 75 THR N N 75 118.963 118.963 117.926 1.037 25143 1622 1 7 . 1 1 75 75 THR HA H 75 4.730 4.730 4.686 0.044 25143 1623 1 7 . 1 1 75 75 THR CA C 75 62.185 62.185 62.355 -0.170 25143 1624 1 7 . 1 1 75 75 THR CB C 75 69.640 69.640 69.009 0.631 25143 1625 1 7 . 1 1 75 75 THR H H 75 8.889 8.889 8.564 0.325 25143 1626 1 7 . 1 1 76 76 LEU N N 76 128.330 128.330 127.008 1.322 25143 1627 1 7 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.923 1.010 25143 1628 1 7 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.450 -1.941 25143 1629 1 7 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.223 -1.029 25143 1630 1 7 . 1 1 76 76 LEU H H 76 8.767 8.767 8.605 0.162 25143 1631 1 7 . 1 1 77 77 CYS N N 77 119.360 119.360 116.717 2.643 25143 1632 1 7 . 1 1 77 77 CYS HA H 77 4.732 4.732 5.542 -0.810 25143 1633 1 7 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.440 0.430 25143 1634 1 7 . 1 1 77 77 CYS CB C 77 31.698 31.698 30.899 0.799 25143 1635 1 7 . 1 1 77 77 CYS H H 77 9.510 9.510 8.251 1.259 25143 1636 1 7 . 1 1 78 78 SER N N 78 114.841 114.841 117.159 -2.318 25143 1637 1 7 . 1 1 78 78 SER HA H 78 4.037 4.037 4.096 -0.059 25143 1638 1 7 . 1 1 78 78 SER CA C 78 61.756 61.756 61.953 -0.197 25143 1639 1 7 . 1 1 78 78 SER CB C 78 62.254 62.254 62.753 -0.499 25143 1640 1 7 . 1 1 78 78 SER H H 78 8.593 8.593 8.575 0.018 25143 1641 1 7 . 1 1 79 79 GLY N N 79 111.904 111.904 109.552 2.352 25143 1642 1 7 . 1 1 79 79 GLY CA C 79 46.777 46.777 47.127 -0.350 25143 1643 1 7 . 1 1 79 79 GLY H H 79 8.391 8.391 8.656 -0.265 25143 1644 1 7 . 1 1 80 80 CYS N N 80 126.807 126.807 120.964 5.843 25143 1645 1 7 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.212 -0.258 25143 1646 1 7 . 1 1 80 80 CYS CA C 80 65.189 65.189 61.861 3.328 25143 1647 1 7 . 1 1 80 80 CYS CB C 80 28.846 28.846 26.468 2.378 25143 1648 1 7 . 1 1 80 80 CYS H H 80 9.039 9.039 7.444 1.595 25143 1649 1 7 . 1 1 81 81 LEU N N 81 120.440 120.440 123.301 -2.861 25143 1650 1 7 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.187 -0.055 25143 1651 1 7 . 1 1 81 81 LEU CA C 81 57.443 57.443 58.296 -0.853 25143 1652 1 7 . 1 1 81 81 LEU CB C 81 41.782 41.782 42.121 -0.339 25143 1653 1 7 . 1 1 81 81 LEU H H 81 8.109 8.109 7.871 0.238 25143 1654 1 7 . 1 1 82 82 GLU N N 82 120.149 120.149 117.747 2.402 25143 1655 1 7 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.034 0.003 25143 1656 1 7 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.042 0.277 25143 1657 1 7 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.810 -0.883 25143 1658 1 7 . 1 1 82 82 GLU H H 82 8.432 8.432 8.089 0.343 25143 1659 1 7 . 1 1 83 83 ALA N N 83 120.334 120.334 121.216 -0.882 25143 1660 1 7 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.325 -0.026 25143 1661 1 7 . 1 1 83 83 ALA CA C 83 53.543 53.543 53.729 -0.186 25143 1662 1 7 . 1 1 83 83 ALA CB C 83 18.334 18.334 19.617 -1.283 25143 1663 1 7 . 1 1 83 83 ALA H H 83 7.715 7.715 7.226 0.489 25143 1664 1 7 . 1 1 84 84 SER N N 84 112.368 112.368 114.558 -2.190 25143 1665 1 7 . 1 1 84 84 SER HA H 84 4.494 4.494 4.591 -0.097 25143 1666 1 7 . 1 1 84 84 SER CA C 84 58.210 58.210 58.154 0.056 25143 1667 1 7 . 1 1 84 84 SER CB C 84 63.837 63.837 63.613 0.224 25143 1668 1 7 . 1 1 84 84 SER H H 84 7.570 7.570 8.478 -0.908 25143 1669 1 7 . 1 1 85 85 GLY N N 85 110.612 110.612 110.419 0.193 25143 1670 1 7 . 1 1 85 85 GLY CA C 85 46.841 46.841 45.593 1.248 25143 1671 1 7 . 1 1 85 85 GLY H H 85 7.955 7.955 8.017 -0.062 25143 1672 1 7 . 1 1 86 86 MET N N 86 113.856 113.856 122.652 -8.796 25143 1673 1 7 . 1 1 86 86 MET HA H 86 3.804 3.804 4.481 -0.677 25143 1674 1 7 . 1 1 86 86 MET CA C 86 55.160 55.160 55.185 -0.025 25143 1675 1 7 . 1 1 86 86 MET CB C 86 28.494 28.494 32.244 -3.750 25143 1676 1 7 . 1 1 86 86 MET H H 86 8.489 8.489 8.337 0.152 25143 1677 1 7 . 1 1 87 87 GLN N N 87 116.394 116.394 118.076 -1.682 25143 1678 1 7 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.496 -0.047 25143 1679 1 7 . 1 1 87 87 GLN CA C 87 53.404 53.404 54.844 -1.440 25143 1680 1 7 . 1 1 87 87 GLN CB C 87 30.964 30.964 31.319 -0.355 25143 1681 1 7 . 1 1 87 87 GLN H H 87 7.188 7.188 7.451 -0.263 25143 1682 1 7 . 1 1 88 88 CYS N N 88 124.484 124.484 120.605 3.879 25143 1683 1 7 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.683 -0.383 25143 1684 1 7 . 1 1 88 88 CYS CA C 88 57.101 57.101 54.866 2.235 25143 1685 1 7 . 1 1 88 88 CYS CB C 88 31.117 31.117 28.463 2.654 25143 1686 1 7 . 1 1 88 88 CYS H H 88 8.616 8.616 8.584 0.032 25143 1687 1 7 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.333 0.176 25143 1688 1 7 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.526 -0.811 25143 1689 1 7 . 1 1 89 89 PRO CB C 89 31.717 31.717 32.119 -0.402 25143 1690 1 7 . 1 1 90 90 ILE N N 90 123.484 123.484 118.699 4.785 25143 1691 1 7 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.791 -0.008 25143 1692 1 7 . 1 1 90 90 ILE CA C 90 62.878 62.878 64.494 -1.616 25143 1693 1 7 . 1 1 90 90 ILE CB C 90 37.483 37.483 37.793 -0.310 25143 1694 1 7 . 1 1 90 90 ILE H H 90 8.908 8.908 7.803 1.105 25143 1695 1 7 . 1 1 91 91 CYS N N 91 120.890 120.890 115.202 5.688 25143 1696 1 7 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.291 0.226 25143 1697 1 7 . 1 1 91 91 CYS CA C 91 60.891 60.891 60.830 0.061 25143 1698 1 7 . 1 1 91 91 CYS CB C 91 31.244 31.244 26.744 4.500 25143 1699 1 7 . 1 1 91 91 CYS H H 91 8.587 8.587 7.514 1.073 25143 1700 1 7 . 1 1 92 92 GLN N N 92 116.563 116.563 119.484 -2.921 25143 1701 1 7 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.258 -0.126 25143 1702 1 7 . 1 1 92 92 GLN CA C 92 56.824 56.824 57.129 -0.305 25143 1703 1 7 . 1 1 92 92 GLN CB C 92 27.216 27.216 29.277 -2.061 25143 1704 1 7 . 1 1 92 92 GLN H H 92 7.787 7.787 7.816 -0.029 25143 1705 1 7 . 1 1 93 93 ALA N N 93 125.273 125.273 123.666 1.607 25143 1706 1 7 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.387 0.174 25143 1707 1 7 . 1 1 93 93 ALA CA C 93 50.862 50.862 50.919 -0.057 25143 1708 1 7 . 1 1 93 93 ALA CB C 93 18.415 18.415 18.223 0.193 25143 1709 1 7 . 1 1 93 93 ALA H H 93 8.031 8.031 7.441 0.590 25143 1710 1 7 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.522 0.016 25143 1711 1 7 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.679 -0.166 25143 1712 1 7 . 1 1 94 94 PRO CB C 94 31.684 31.684 32.649 -0.965 25143 1713 1 7 . 1 1 95 95 TRP N N 95 121.986 121.986 119.518 2.468 25143 1714 1 7 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.887 0.155 25143 1715 1 7 . 1 1 95 95 TRP CA C 95 54.005 54.005 55.538 -1.533 25143 1716 1 7 . 1 1 95 95 TRP CB C 95 28.846 28.846 29.403 -0.557 25143 1717 1 7 . 1 1 95 95 TRP H H 95 8.012 8.012 8.269 -0.257 25143 1718 1 7 . 1 1 96 96 PRO CA C 96 62.690 62.690 62.908 -0.218 25143 1719 1 7 . 1 1 96 96 PRO CB C 96 31.770 31.770 32.217 -0.447 25143 1720 1 7 . 1 1 97 97 LEU N N 97 122.075 122.075 124.464 -2.389 25143 1721 1 7 . 1 1 97 97 LEU HA H 97 4.299 4.299 4.523 -0.224 25143 1722 1 7 . 1 1 97 97 LEU CA C 97 55.206 55.206 54.757 0.449 25143 1723 1 7 . 1 1 97 97 LEU CB C 97 42.046 42.046 41.761 0.285 25143 1724 1 7 . 1 1 97 97 LEU H H 97 8.145 8.145 8.520 -0.375 25143 1725 1 7 . 1 1 98 98 GLY N N 98 110.020 110.020 111.725 -1.705 25143 1726 1 7 . 1 1 98 98 GLY CA C 98 45.085 45.085 44.220 0.865 25143 1727 1 7 . 1 1 98 98 GLY H H 98 8.444 8.444 8.396 0.048 25143 1728 1 7 . 1 1 99 99 ALA N N 99 123.511 123.511 124.705 -1.194 25143 1729 1 7 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.104 0.195 25143 1730 1 7 . 1 1 99 99 ALA CA C 99 52.249 52.249 52.669 -0.420 25143 1731 1 7 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.300 -0.364 25143 1732 1 7 . 1 1 99 99 ALA H H 99 8.176 8.176 8.255 -0.079 25143 1733 1 7 . 1 1 100 100 ASP N N 100 119.098 119.098 117.075 2.023 25143 1734 1 7 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.620 -0.059 25143 1735 1 7 . 1 1 100 100 ASP CA C 100 53.912 53.912 53.544 0.368 25143 1736 1 7 . 1 1 100 100 ASP CB C 100 40.580 40.580 41.773 -1.193 25143 1737 1 7 . 1 1 100 100 ASP H H 100 8.383 8.383 8.407 -0.024 25143 1738 1 7 . 1 1 101 101 THR N N 101 116.696 116.696 114.020 2.676 25143 1739 1 7 . 1 1 101 101 THR HA H 101 4.517 4.517 4.770 -0.253 25143 1740 1 7 . 1 1 101 101 THR CA C 101 59.551 59.551 59.358 0.193 25143 1741 1 7 . 1 1 101 101 THR CB C 101 69.589 69.589 69.449 0.140 25143 1742 1 7 . 1 1 101 101 THR H H 101 8.017 8.017 7.985 0.032 25143 1743 1 7 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.347 -0.011 25143 1744 1 7 . 1 1 102 102 PRO CA C 102 62.884 62.884 63.964 -1.080 25143 1745 1 7 . 1 1 102 102 PRO CB C 102 31.767 31.767 31.827 -0.060 25143 1746 1 7 . 1 1 103 103 ALA N N 103 125.184 125.184 121.674 3.510 25143 1747 1 7 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.461 -0.176 25143 1748 1 7 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.445 0.572 25143 1749 1 7 . 1 1 103 103 ALA CB C 103 18.974 18.974 18.422 0.552 25143 1750 1 7 . 1 1 103 103 ALA H H 103 8.333 8.333 7.775 0.558 25143 1751 1 8 . 1 1 50 50 GLU N N 50 120.583 120.583 122.251 -1.668 25143 1752 1 8 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.115 0.053 25143 1753 1 8 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.631 0.193 25143 1754 1 8 . 1 1 50 50 GLU CB C 50 29.718 29.718 29.339 0.379 25143 1755 1 8 . 1 1 50 50 GLU H H 50 8.300 8.300 8.304 -0.004 25143 1756 1 8 . 1 1 51 51 GLU N N 51 121.142 121.142 120.685 0.457 25143 1757 1 8 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.202 -0.078 25143 1758 1 8 . 1 1 51 51 GLU CA C 51 56.362 56.362 55.335 1.027 25143 1759 1 8 . 1 1 51 51 GLU CB C 51 29.727 29.727 30.928 -1.201 25143 1760 1 8 . 1 1 51 51 GLU H H 51 8.140 8.140 7.766 0.374 25143 1761 1 8 . 1 1 52 52 PHE N N 52 120.500 120.500 119.231 1.269 25143 1762 1 8 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.796 -0.281 25143 1763 1 8 . 1 1 52 52 PHE CA C 52 57.409 57.409 56.869 0.540 25143 1764 1 8 . 1 1 52 52 PHE CB C 52 39.326 39.326 39.776 -0.450 25143 1765 1 8 . 1 1 52 52 PHE H H 52 8.106 8.106 8.125 -0.019 25143 1766 1 8 . 1 1 53 53 GLN N N 53 121.616 121.616 120.650 0.966 25143 1767 1 8 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.504 -0.292 25143 1768 1 8 . 1 1 53 53 GLN CA C 53 55.345 55.345 55.966 -0.621 25143 1769 1 8 . 1 1 53 53 GLN CB C 53 29.357 29.357 28.893 0.464 25143 1770 1 8 . 1 1 53 53 GLN H H 53 8.047 8.047 8.529 -0.482 25143 1771 1 8 . 1 1 54 54 PHE N N 54 120.217 120.217 125.703 -5.486 25143 1772 1 8 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.957 -0.309 25143 1773 1 8 . 1 1 54 54 PHE CA C 54 56.824 56.824 57.693 -0.869 25143 1774 1 8 . 1 1 54 54 PHE CB C 54 39.522 39.522 40.705 -1.183 25143 1775 1 8 . 1 1 54 54 PHE H H 54 7.956 7.956 8.458 -0.502 25143 1776 1 8 . 1 1 55 55 LEU N N 55 123.391 123.391 123.590 -0.199 25143 1777 1 8 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.608 -0.222 25143 1778 1 8 . 1 1 55 55 LEU CA C 55 54.421 54.421 54.735 -0.314 25143 1779 1 8 . 1 1 55 55 LEU CB C 55 43.024 43.024 44.043 -1.019 25143 1780 1 8 . 1 1 55 55 LEU H H 55 8.567 8.567 7.222 1.345 25143 1781 1 8 . 1 1 56 56 ARG N N 56 120.442 120.442 120.639 -0.197 25143 1782 1 8 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.517 0.052 25143 1783 1 8 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.493 0.060 25143 1784 1 8 . 1 1 56 56 ARG CB C 56 31.817 31.817 32.577 -0.760 25143 1785 1 8 . 1 1 56 56 ARG H H 56 8.101 8.101 8.201 -0.100 25143 1786 1 8 . 1 1 57 57 CYS N N 57 123.891 123.891 121.318 2.573 25143 1787 1 8 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.339 -0.386 25143 1788 1 8 . 1 1 57 57 CYS CA C 57 59.135 59.135 60.049 -0.914 25143 1789 1 8 . 1 1 57 57 CYS CB C 57 31.290 31.290 29.427 1.863 25143 1790 1 8 . 1 1 57 57 CYS H H 57 8.828 8.828 8.580 0.248 25143 1791 1 8 . 1 1 58 58 GLN N N 58 128.172 128.172 127.907 0.265 25143 1792 1 8 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.002 0.119 25143 1793 1 8 . 1 1 58 58 GLN CA C 58 58.528 58.528 57.876 0.652 25143 1794 1 8 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.496 1.454 25143 1795 1 8 . 1 1 58 58 GLN H H 58 9.222 9.222 8.841 0.381 25143 1796 1 8 . 1 1 59 59 GLN N N 59 121.709 121.709 118.371 3.338 25143 1797 1 8 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.274 0.315 25143 1798 1 8 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.335 0.274 25143 1799 1 8 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.396 0.321 25143 1800 1 8 . 1 1 59 59 GLN H H 59 9.200 9.200 7.849 1.351 25143 1801 1 8 . 1 1 60 60 CYS N N 60 119.482 119.482 115.766 3.716 25143 1802 1 8 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.647 0.147 25143 1803 1 8 . 1 1 60 60 CYS CA C 60 59.458 59.458 57.814 1.644 25143 1804 1 8 . 1 1 60 60 CYS CB C 60 32.179 32.179 30.284 1.895 25143 1805 1 8 . 1 1 60 60 CYS H H 60 8.566 8.566 7.508 1.058 25143 1806 1 8 . 1 1 61 61 GLN N N 61 115.153 115.153 118.616 -3.463 25143 1807 1 8 . 1 1 61 61 GLN HA H 61 4.153 4.153 4.013 0.140 25143 1808 1 8 . 1 1 61 61 GLN CA C 61 57.979 57.979 56.965 1.014 25143 1809 1 8 . 1 1 61 61 GLN CB C 61 25.342 25.342 25.541 -0.200 25143 1810 1 8 . 1 1 61 61 GLN H H 61 7.672 7.672 8.090 -0.418 25143 1811 1 8 . 1 1 62 62 ALA N N 62 124.669 124.669 119.534 5.135 25143 1812 1 8 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.568 -0.131 25143 1813 1 8 . 1 1 62 62 ALA CA C 62 52.064 52.064 50.940 1.124 25143 1814 1 8 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.969 -1.147 25143 1815 1 8 . 1 1 62 62 ALA H H 62 8.728 8.728 7.527 1.201 25143 1816 1 8 . 1 1 63 63 GLU N N 63 119.649 119.649 119.990 -0.341 25143 1817 1 8 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.143 -0.106 25143 1818 1 8 . 1 1 63 63 GLU CA C 63 57.332 57.332 56.721 0.611 25143 1819 1 8 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.531 -0.269 25143 1820 1 8 . 1 1 63 63 GLU H H 63 8.523 8.523 8.509 0.014 25143 1821 1 8 . 1 1 64 64 ALA N N 64 128.762 128.762 128.743 0.019 25143 1822 1 8 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.292 0.094 25143 1823 1 8 . 1 1 64 64 ALA CA C 64 50.354 50.354 51.795 -1.441 25143 1824 1 8 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.172 -0.837 25143 1825 1 8 . 1 1 64 64 ALA H H 64 8.581 8.581 8.536 0.045 25143 1826 1 8 . 1 1 65 65 LYS N N 65 122.223 122.223 122.071 0.152 25143 1827 1 8 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.022 0.059 25143 1828 1 8 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.469 -1.414 25143 1829 1 8 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.860 -0.554 25143 1830 1 8 . 1 1 65 65 LYS H H 65 8.175 8.175 8.584 -0.409 25143 1831 1 8 . 1 1 66 66 CYS N N 66 117.296 117.296 115.234 2.062 25143 1832 1 8 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.674 0.018 25143 1833 1 8 . 1 1 66 66 CYS CA C 66 53.727 53.727 55.696 -1.969 25143 1834 1 8 . 1 1 66 66 CYS H H 66 8.790 8.790 7.614 1.176 25143 1835 1 8 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.413 -0.016 25143 1836 1 8 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.853 -0.024 25143 1837 1 8 . 1 1 67 67 PRO CB C 67 31.785 31.785 30.800 0.985 25143 1838 1 8 . 1 1 68 68 LYS N N 68 121.724 121.724 125.086 -3.362 25143 1839 1 8 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.520 -0.235 25143 1840 1 8 . 1 1 68 68 LYS CA C 68 54.929 54.929 55.047 -0.118 25143 1841 1 8 . 1 1 68 68 LYS CB C 68 33.327 33.327 32.883 0.444 25143 1842 1 8 . 1 1 68 68 LYS H H 68 8.662 8.662 8.148 0.514 25143 1843 1 8 . 1 1 69 69 LEU N N 69 125.851 125.851 126.259 -0.408 25143 1844 1 8 . 1 1 69 69 LEU HA H 69 4.474 4.474 4.789 -0.315 25143 1845 1 8 . 1 1 69 69 LEU CA C 69 54.454 54.454 54.739 -0.285 25143 1846 1 8 . 1 1 69 69 LEU CB C 69 41.720 41.720 42.999 -1.279 25143 1847 1 8 . 1 1 69 69 LEU H H 69 8.320 8.320 8.526 -0.206 25143 1848 1 8 . 1 1 70 70 LEU N N 70 128.488 128.488 126.015 2.473 25143 1849 1 8 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.867 -0.219 25143 1850 1 8 . 1 1 70 70 LEU CA C 70 53.127 53.127 52.411 0.716 25143 1851 1 8 . 1 1 70 70 LEU CB C 70 42.832 42.832 43.287 -0.455 25143 1852 1 8 . 1 1 70 70 LEU H H 70 8.677 8.677 8.007 0.670 25143 1853 1 8 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.316 -0.040 25143 1854 1 8 . 1 1 71 71 PRO CA C 71 64.790 64.790 65.434 -0.644 25143 1855 1 8 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.559 -0.099 25143 1856 1 8 . 1 1 72 72 CYS N N 72 112.135 112.135 117.391 -5.256 25143 1857 1 8 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.618 -0.344 25143 1858 1 8 . 1 1 72 72 CYS CA C 72 57.194 57.194 57.265 -0.071 25143 1859 1 8 . 1 1 72 72 CYS CB C 72 31.085 31.085 25.988 5.097 25143 1860 1 8 . 1 1 72 72 CYS H H 72 7.204 7.204 7.672 -0.468 25143 1861 1 8 . 1 1 73 73 LEU N N 73 114.341 114.341 119.684 -5.343 25143 1862 1 8 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.992 -0.124 25143 1863 1 8 . 1 1 73 73 LEU CA C 73 56.500 56.500 56.126 0.374 25143 1864 1 8 . 1 1 73 73 LEU CB C 73 37.671 37.671 39.735 -2.064 25143 1865 1 8 . 1 1 73 73 LEU H H 73 8.043 8.043 7.840 0.203 25143 1866 1 8 . 1 1 74 74 HIS N N 74 120.386 120.386 115.226 5.160 25143 1867 1 8 . 1 1 74 74 HIS HA H 74 4.990 4.990 4.713 0.277 25143 1868 1 8 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.625 4.047 25143 1869 1 8 . 1 1 74 74 HIS CB C 74 31.354 31.354 32.304 -0.950 25143 1870 1 8 . 1 1 74 74 HIS H H 74 7.831 7.831 7.839 -0.008 25143 1871 1 8 . 1 1 75 75 THR N N 75 118.963 118.963 118.678 0.285 25143 1872 1 8 . 1 1 75 75 THR HA H 75 4.730 4.730 4.537 0.193 25143 1873 1 8 . 1 1 75 75 THR CA C 75 62.185 62.185 62.620 -0.435 25143 1874 1 8 . 1 1 75 75 THR CB C 75 69.640 69.640 69.041 0.599 25143 1875 1 8 . 1 1 75 75 THR H H 75 8.889 8.889 8.478 0.411 25143 1876 1 8 . 1 1 76 76 LEU N N 76 128.330 128.330 126.736 1.594 25143 1877 1 8 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.956 0.977 25143 1878 1 8 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.303 -1.794 25143 1879 1 8 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.195 -1.001 25143 1880 1 8 . 1 1 76 76 LEU H H 76 8.767 8.767 8.567 0.200 25143 1881 1 8 . 1 1 77 77 CYS N N 77 119.360 119.360 114.927 4.433 25143 1882 1 8 . 1 1 77 77 CYS HA H 77 4.732 4.732 5.360 -0.628 25143 1883 1 8 . 1 1 77 77 CYS CA C 77 56.870 56.870 55.911 0.959 25143 1884 1 8 . 1 1 77 77 CYS CB C 77 31.698 31.698 30.817 0.881 25143 1885 1 8 . 1 1 77 77 CYS H H 77 9.510 9.510 8.146 1.364 25143 1886 1 8 . 1 1 78 78 SER N N 78 114.841 114.841 117.730 -2.889 25143 1887 1 8 . 1 1 78 78 SER HA H 78 4.037 4.037 4.175 -0.138 25143 1888 1 8 . 1 1 78 78 SER CA C 78 61.756 61.756 62.777 -1.021 25143 1889 1 8 . 1 1 78 78 SER CB C 78 62.254 62.254 62.938 -0.684 25143 1890 1 8 . 1 1 78 78 SER H H 78 8.593 8.593 9.022 -0.429 25143 1891 1 8 . 1 1 79 79 GLY N N 79 111.904 111.904 109.691 2.213 25143 1892 1 8 . 1 1 79 79 GLY CA C 79 46.777 46.777 47.116 -0.339 25143 1893 1 8 . 1 1 79 79 GLY H H 79 8.391 8.391 8.547 -0.156 25143 1894 1 8 . 1 1 80 80 CYS N N 80 126.807 126.807 120.643 6.164 25143 1895 1 8 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.368 -0.414 25143 1896 1 8 . 1 1 80 80 CYS CA C 80 65.189 65.189 61.731 3.458 25143 1897 1 8 . 1 1 80 80 CYS CB C 80 28.846 28.846 26.930 1.915 25143 1898 1 8 . 1 1 80 80 CYS H H 80 9.039 9.039 7.505 1.534 25143 1899 1 8 . 1 1 81 81 LEU N N 81 120.440 120.440 123.739 -3.299 25143 1900 1 8 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.285 -0.153 25143 1901 1 8 . 1 1 81 81 LEU CA C 81 57.443 57.443 58.268 -0.825 25143 1902 1 8 . 1 1 81 81 LEU CB C 81 41.782 41.782 42.284 -0.502 25143 1903 1 8 . 1 1 81 81 LEU H H 81 8.109 8.109 8.230 -0.121 25143 1904 1 8 . 1 1 82 82 GLU N N 82 120.149 120.149 117.683 2.466 25143 1905 1 8 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.027 0.010 25143 1906 1 8 . 1 1 82 82 GLU CA C 82 59.319 59.319 58.927 0.392 25143 1907 1 8 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.738 -0.811 25143 1908 1 8 . 1 1 82 82 GLU H H 82 8.432 8.432 8.421 0.011 25143 1909 1 8 . 1 1 83 83 ALA N N 83 120.334 120.334 121.320 -0.986 25143 1910 1 8 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.372 -0.073 25143 1911 1 8 . 1 1 83 83 ALA CA C 83 53.543 53.543 53.883 -0.340 25143 1912 1 8 . 1 1 83 83 ALA CB C 83 18.334 18.334 19.449 -1.115 25143 1913 1 8 . 1 1 83 83 ALA H H 83 7.715 7.715 7.420 0.295 25143 1914 1 8 . 1 1 84 84 SER N N 84 112.368 112.368 113.962 -1.594 25143 1915 1 8 . 1 1 84 84 SER HA H 84 4.494 4.494 4.691 -0.197 25143 1916 1 8 . 1 1 84 84 SER CA C 84 58.210 58.210 57.554 0.656 25143 1917 1 8 . 1 1 84 84 SER CB C 84 63.837 63.837 63.365 0.472 25143 1918 1 8 . 1 1 84 84 SER H H 84 7.570 7.570 8.230 -0.660 25143 1919 1 8 . 1 1 85 85 GLY N N 85 110.612 110.612 110.494 0.118 25143 1920 1 8 . 1 1 85 85 GLY CA C 85 46.841 46.841 45.434 1.407 25143 1921 1 8 . 1 1 85 85 GLY H H 85 7.955 7.955 7.671 0.284 25143 1922 1 8 . 1 1 86 86 MET N N 86 113.856 113.856 119.659 -5.803 25143 1923 1 8 . 1 1 86 86 MET HA H 86 3.804 3.804 4.620 -0.816 25143 1924 1 8 . 1 1 86 86 MET CA C 86 55.160 55.160 55.177 -0.017 25143 1925 1 8 . 1 1 86 86 MET CB C 86 28.494 28.494 32.346 -3.852 25143 1926 1 8 . 1 1 86 86 MET H H 86 8.489 8.489 8.196 0.293 25143 1927 1 8 . 1 1 87 87 GLN N N 87 116.394 116.394 119.761 -3.367 25143 1928 1 8 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.472 -0.023 25143 1929 1 8 . 1 1 87 87 GLN CA C 87 53.404 53.404 54.912 -1.508 25143 1930 1 8 . 1 1 87 87 GLN CB C 87 30.964 30.964 31.464 -0.500 25143 1931 1 8 . 1 1 87 87 GLN H H 87 7.188 7.188 7.432 -0.244 25143 1932 1 8 . 1 1 88 88 CYS N N 88 124.484 124.484 121.892 2.592 25143 1933 1 8 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.796 -0.496 25143 1934 1 8 . 1 1 88 88 CYS CA C 88 57.101 57.101 55.029 2.072 25143 1935 1 8 . 1 1 88 88 CYS CB C 88 31.117 31.117 29.275 1.842 25143 1936 1 8 . 1 1 88 88 CYS H H 88 8.616 8.616 8.564 0.052 25143 1937 1 8 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.449 0.060 25143 1938 1 8 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.385 -0.670 25143 1939 1 8 . 1 1 89 89 PRO CB C 89 31.717 31.717 32.229 -0.512 25143 1940 1 8 . 1 1 90 90 ILE N N 90 123.484 123.484 117.503 5.981 25143 1941 1 8 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.851 -0.068 25143 1942 1 8 . 1 1 90 90 ILE CA C 90 62.878 62.878 64.501 -1.623 25143 1943 1 8 . 1 1 90 90 ILE CB C 90 37.483 37.483 38.058 -0.575 25143 1944 1 8 . 1 1 90 90 ILE H H 90 8.908 8.908 7.930 0.978 25143 1945 1 8 . 1 1 91 91 CYS N N 91 120.890 120.890 115.239 5.651 25143 1946 1 8 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.273 0.244 25143 1947 1 8 . 1 1 91 91 CYS CA C 91 60.891 60.891 60.266 0.625 25143 1948 1 8 . 1 1 91 91 CYS CB C 91 31.244 31.244 27.806 3.438 25143 1949 1 8 . 1 1 91 91 CYS H H 91 8.587 8.587 7.472 1.115 25143 1950 1 8 . 1 1 92 92 GLN N N 92 116.563 116.563 120.018 -3.455 25143 1951 1 8 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.143 -0.011 25143 1952 1 8 . 1 1 92 92 GLN CA C 92 56.824 56.824 57.464 -0.639 25143 1953 1 8 . 1 1 92 92 GLN CB C 92 27.216 27.216 28.652 -1.436 25143 1954 1 8 . 1 1 92 92 GLN H H 92 7.787 7.787 7.365 0.422 25143 1955 1 8 . 1 1 93 93 ALA N N 93 125.273 125.273 123.080 2.193 25143 1956 1 8 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.549 0.012 25143 1957 1 8 . 1 1 93 93 ALA CA C 93 50.862 50.862 50.566 0.296 25143 1958 1 8 . 1 1 93 93 ALA CB C 93 18.415 18.415 18.379 0.036 25143 1959 1 8 . 1 1 93 93 ALA H H 93 8.031 8.031 7.442 0.589 25143 1960 1 8 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.553 -0.015 25143 1961 1 8 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.447 0.066 25143 1962 1 8 . 1 1 94 94 PRO CB C 94 31.684 31.684 32.496 -0.812 25143 1963 1 8 . 1 1 95 95 TRP N N 95 121.986 121.986 124.751 -2.765 25143 1964 1 8 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.937 0.105 25143 1965 1 8 . 1 1 95 95 TRP CA C 95 54.005 54.005 54.597 -0.592 25143 1966 1 8 . 1 1 95 95 TRP CB C 95 28.846 28.846 29.066 -0.220 25143 1967 1 8 . 1 1 95 95 TRP H H 95 8.012 8.012 8.629 -0.617 25143 1968 1 8 . 1 1 96 96 PRO CA C 96 62.690 62.690 62.787 -0.097 25143 1969 1 8 . 1 1 96 96 PRO CB C 96 31.770 31.770 32.457 -0.687 25143 1970 1 8 . 1 1 97 97 LEU N N 97 122.075 122.075 118.566 3.509 25143 1971 1 8 . 1 1 97 97 LEU HA H 97 4.299 4.299 3.912 0.387 25143 1972 1 8 . 1 1 97 97 LEU CA C 97 55.206 55.206 56.090 -0.883 25143 1973 1 8 . 1 1 97 97 LEU CB C 97 42.046 42.046 41.404 0.642 25143 1974 1 8 . 1 1 97 97 LEU H H 97 8.145 8.145 8.431 -0.286 25143 1975 1 8 . 1 1 98 98 GLY N N 98 110.020 110.020 105.571 4.449 25143 1976 1 8 . 1 1 98 98 GLY CA C 98 45.085 45.085 45.066 0.020 25143 1977 1 8 . 1 1 98 98 GLY H H 98 8.444 8.444 8.349 0.095 25143 1978 1 8 . 1 1 99 99 ALA N N 99 123.511 123.511 123.351 0.160 25143 1979 1 8 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.694 -0.395 25143 1980 1 8 . 1 1 99 99 ALA CA C 99 52.249 52.249 52.970 -0.721 25143 1981 1 8 . 1 1 99 99 ALA CB C 99 18.936 18.936 20.097 -1.161 25143 1982 1 8 . 1 1 99 99 ALA H H 99 8.176 8.176 8.419 -0.243 25143 1983 1 8 . 1 1 100 100 ASP N N 100 119.098 119.098 118.569 0.529 25143 1984 1 8 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.837 -0.276 25143 1985 1 8 . 1 1 100 100 ASP CA C 100 53.912 53.912 53.705 0.207 25143 1986 1 8 . 1 1 100 100 ASP CB C 100 40.580 40.580 41.792 -1.212 25143 1987 1 8 . 1 1 100 100 ASP H H 100 8.383 8.383 8.101 0.282 25143 1988 1 8 . 1 1 101 101 THR N N 101 116.696 116.696 111.794 4.902 25143 1989 1 8 . 1 1 101 101 THR HA H 101 4.517 4.517 4.954 -0.437 25143 1990 1 8 . 1 1 101 101 THR CA C 101 59.551 59.551 59.632 -0.081 25143 1991 1 8 . 1 1 101 101 THR CB C 101 69.589 69.589 69.952 -0.363 25143 1992 1 8 . 1 1 101 101 THR H H 101 8.017 8.017 8.511 -0.494 25143 1993 1 8 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.392 -0.056 25143 1994 1 8 . 1 1 102 102 PRO CA C 102 62.884 62.884 63.878 -0.994 25143 1995 1 8 . 1 1 102 102 PRO CB C 102 31.767 31.767 31.942 -0.174 25143 1996 1 8 . 1 1 103 103 ALA N N 103 125.184 125.184 122.712 2.472 25143 1997 1 8 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.484 -0.199 25143 1998 1 8 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.287 0.730 25143 1999 1 8 . 1 1 103 103 ALA CB C 103 18.974 18.974 19.343 -0.369 25143 2000 1 8 . 1 1 103 103 ALA H H 103 8.333 8.333 7.983 0.350 25143 2001 1 9 . 1 1 50 50 GLU N N 50 120.583 120.583 122.414 -1.831 25143 2002 1 9 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.555 -0.387 25143 2003 1 9 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.053 0.771 25143 2004 1 9 . 1 1 50 50 GLU CB C 50 29.718 29.718 29.943 -0.225 25143 2005 1 9 . 1 1 50 50 GLU H H 50 8.300 8.300 8.552 -0.252 25143 2006 1 9 . 1 1 51 51 GLU N N 51 121.142 121.142 122.148 -1.006 25143 2007 1 9 . 1 1 51 51 GLU HA H 51 4.124 4.124 3.977 0.147 25143 2008 1 9 . 1 1 51 51 GLU CA C 51 56.362 56.362 56.837 -0.475 25143 2009 1 9 . 1 1 51 51 GLU CB C 51 29.727 29.727 29.468 0.259 25143 2010 1 9 . 1 1 51 51 GLU H H 51 8.140 8.140 8.903 -0.763 25143 2011 1 9 . 1 1 52 52 PHE N N 52 120.500 120.500 115.149 5.351 25143 2012 1 9 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.079 0.436 25143 2013 1 9 . 1 1 52 52 PHE CA C 52 57.409 57.409 58.893 -1.484 25143 2014 1 9 . 1 1 52 52 PHE CB C 52 39.326 39.326 39.176 0.150 25143 2015 1 9 . 1 1 52 52 PHE H H 52 8.106 8.106 8.070 0.036 25143 2016 1 9 . 1 1 53 53 GLN N N 53 121.616 121.616 119.838 1.778 25143 2017 1 9 . 1 1 53 53 GLN HA H 53 4.212 4.212 3.445 0.767 25143 2018 1 9 . 1 1 53 53 GLN CA C 53 55.345 55.345 56.092 -0.747 25143 2019 1 9 . 1 1 53 53 GLN CB C 53 29.357 29.357 29.082 0.275 25143 2020 1 9 . 1 1 53 53 GLN H H 53 8.047 8.047 7.478 0.569 25143 2021 1 9 . 1 1 54 54 PHE N N 54 120.217 120.217 117.156 3.061 25143 2022 1 9 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.757 -0.109 25143 2023 1 9 . 1 1 54 54 PHE CA C 54 56.824 56.824 57.236 -0.412 25143 2024 1 9 . 1 1 54 54 PHE CB C 54 39.522 39.522 39.630 -0.108 25143 2025 1 9 . 1 1 54 54 PHE H H 54 7.956 7.956 7.789 0.167 25143 2026 1 9 . 1 1 55 55 LEU N N 55 123.391 123.391 125.591 -2.200 25143 2027 1 9 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.694 -0.308 25143 2028 1 9 . 1 1 55 55 LEU CA C 55 54.421 54.421 55.022 -0.601 25143 2029 1 9 . 1 1 55 55 LEU CB C 55 43.024 43.024 44.357 -1.333 25143 2030 1 9 . 1 1 55 55 LEU H H 55 8.567 8.567 8.636 -0.069 25143 2031 1 9 . 1 1 56 56 ARG N N 56 120.442 120.442 125.395 -4.953 25143 2032 1 9 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.615 -0.046 25143 2033 1 9 . 1 1 56 56 ARG CA C 56 54.553 54.553 55.078 -0.525 25143 2034 1 9 . 1 1 56 56 ARG CB C 56 31.817 31.817 32.311 -0.494 25143 2035 1 9 . 1 1 56 56 ARG H H 56 8.101 8.101 8.408 -0.307 25143 2036 1 9 . 1 1 57 57 CYS N N 57 123.891 123.891 126.238 -2.347 25143 2037 1 9 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.227 -0.274 25143 2038 1 9 . 1 1 57 57 CYS CA C 57 59.135 59.135 60.154 -1.019 25143 2039 1 9 . 1 1 57 57 CYS CB C 57 31.290 31.290 29.463 1.827 25143 2040 1 9 . 1 1 57 57 CYS H H 57 8.828 8.828 8.585 0.243 25143 2041 1 9 . 1 1 58 58 GLN N N 58 128.172 128.172 127.485 0.687 25143 2042 1 9 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.002 0.119 25143 2043 1 9 . 1 1 58 58 GLN CA C 58 58.528 58.528 57.841 0.687 25143 2044 1 9 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.413 1.537 25143 2045 1 9 . 1 1 58 58 GLN H H 58 9.222 9.222 8.489 0.733 25143 2046 1 9 . 1 1 59 59 GLN N N 59 121.709 121.709 117.226 4.483 25143 2047 1 9 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.269 0.320 25143 2048 1 9 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.296 0.313 25143 2049 1 9 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.476 0.241 25143 2050 1 9 . 1 1 59 59 GLN H H 59 9.200 9.200 7.822 1.378 25143 2051 1 9 . 1 1 60 60 CYS N N 60 119.482 119.482 116.613 2.869 25143 2052 1 9 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.644 0.150 25143 2053 1 9 . 1 1 60 60 CYS CA C 60 59.458 59.458 59.011 0.447 25143 2054 1 9 . 1 1 60 60 CYS CB C 60 32.179 32.179 30.030 2.149 25143 2055 1 9 . 1 1 60 60 CYS H H 60 8.566 8.566 7.383 1.183 25143 2056 1 9 . 1 1 61 61 GLN N N 61 115.153 115.153 117.363 -2.210 25143 2057 1 9 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.982 0.171 25143 2058 1 9 . 1 1 61 61 GLN CA C 61 57.979 57.979 57.050 0.929 25143 2059 1 9 . 1 1 61 61 GLN CB C 61 25.342 25.342 27.238 -1.895 25143 2060 1 9 . 1 1 61 61 GLN H H 61 7.672 7.672 8.235 -0.563 25143 2061 1 9 . 1 1 62 62 ALA N N 62 124.669 124.669 119.333 5.336 25143 2062 1 9 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.602 -0.165 25143 2063 1 9 . 1 1 62 62 ALA CA C 62 52.064 52.064 50.733 1.331 25143 2064 1 9 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.479 -0.657 25143 2065 1 9 . 1 1 62 62 ALA H H 62 8.728 8.728 7.578 1.150 25143 2066 1 9 . 1 1 63 63 GLU N N 63 119.649 119.649 119.456 0.193 25143 2067 1 9 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.083 -0.046 25143 2068 1 9 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.025 0.307 25143 2069 1 9 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.009 0.253 25143 2070 1 9 . 1 1 63 63 GLU H H 63 8.523 8.523 8.367 0.156 25143 2071 1 9 . 1 1 64 64 ALA N N 64 128.762 128.762 127.860 0.902 25143 2072 1 9 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.311 0.075 25143 2073 1 9 . 1 1 64 64 ALA CA C 64 50.354 50.354 51.835 -1.481 25143 2074 1 9 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.350 -1.015 25143 2075 1 9 . 1 1 64 64 ALA H H 64 8.581 8.581 8.287 0.294 25143 2076 1 9 . 1 1 65 65 LYS N N 65 122.223 122.223 122.507 -0.284 25143 2077 1 9 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.042 0.039 25143 2078 1 9 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.383 -1.328 25143 2079 1 9 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.754 -0.448 25143 2080 1 9 . 1 1 65 65 LYS H H 65 8.175 8.175 8.529 -0.354 25143 2081 1 9 . 1 1 66 66 CYS N N 66 117.296 117.296 117.328 -0.032 25143 2082 1 9 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.792 -0.100 25143 2083 1 9 . 1 1 66 66 CYS CA C 66 53.727 53.727 55.871 -2.144 25143 2084 1 9 . 1 1 66 66 CYS H H 66 8.790 8.790 8.114 0.676 25143 2085 1 9 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.476 -0.079 25143 2086 1 9 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.794 0.035 25143 2087 1 9 . 1 1 67 67 PRO CB C 67 31.785 31.785 30.950 0.835 25143 2088 1 9 . 1 1 68 68 LYS N N 68 121.724 121.724 126.152 -4.428 25143 2089 1 9 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.608 -0.323 25143 2090 1 9 . 1 1 68 68 LYS CA C 68 54.929 54.929 55.248 -0.319 25143 2091 1 9 . 1 1 68 68 LYS CB C 68 33.327 33.327 33.428 -0.101 25143 2092 1 9 . 1 1 68 68 LYS H H 68 8.662 8.662 8.430 0.232 25143 2093 1 9 . 1 1 69 69 LEU N N 69 125.851 125.851 125.594 0.257 25143 2094 1 9 . 1 1 69 69 LEU HA H 69 4.474 4.474 5.114 -0.640 25143 2095 1 9 . 1 1 69 69 LEU CA C 69 54.454 54.454 54.144 0.310 25143 2096 1 9 . 1 1 69 69 LEU CB C 69 41.720 41.720 43.390 -1.670 25143 2097 1 9 . 1 1 69 69 LEU H H 69 8.320 8.320 8.444 -0.124 25143 2098 1 9 . 1 1 70 70 LEU N N 70 128.488 128.488 122.311 6.177 25143 2099 1 9 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.968 -0.320 25143 2100 1 9 . 1 1 70 70 LEU CA C 70 53.127 53.127 51.968 1.159 25143 2101 1 9 . 1 1 70 70 LEU CB C 70 42.832 42.832 43.488 -0.656 25143 2102 1 9 . 1 1 70 70 LEU H H 70 8.677 8.677 8.108 0.569 25143 2103 1 9 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.367 -0.091 25143 2104 1 9 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.930 -0.140 25143 2105 1 9 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.755 -0.295 25143 2106 1 9 . 1 1 72 72 CYS N N 72 112.135 112.135 117.712 -5.577 25143 2107 1 9 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.471 -0.197 25143 2108 1 9 . 1 1 72 72 CYS CA C 72 57.194 57.194 58.340 -1.146 25143 2109 1 9 . 1 1 72 72 CYS CB C 72 31.085 31.085 27.287 3.798 25143 2110 1 9 . 1 1 72 72 CYS H H 72 7.204 7.204 7.723 -0.519 25143 2111 1 9 . 1 1 73 73 LEU N N 73 114.341 114.341 121.031 -6.690 25143 2112 1 9 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.902 -0.034 25143 2113 1 9 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.693 0.807 25143 2114 1 9 . 1 1 73 73 LEU CB C 73 37.671 37.671 38.723 -1.052 25143 2115 1 9 . 1 1 73 73 LEU H H 73 8.043 8.043 7.442 0.601 25143 2116 1 9 . 1 1 74 74 HIS N N 74 120.386 120.386 117.520 2.866 25143 2117 1 9 . 1 1 74 74 HIS HA H 74 4.990 4.990 5.013 -0.023 25143 2118 1 9 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.503 4.169 25143 2119 1 9 . 1 1 74 74 HIS CB C 74 31.354 31.354 34.485 -3.131 25143 2120 1 9 . 1 1 74 74 HIS H H 74 7.831 7.831 7.826 0.005 25143 2121 1 9 . 1 1 75 75 THR N N 75 118.963 118.963 118.004 0.959 25143 2122 1 9 . 1 1 75 75 THR HA H 75 4.730 4.730 4.681 0.049 25143 2123 1 9 . 1 1 75 75 THR CA C 75 62.185 62.185 62.717 -0.532 25143 2124 1 9 . 1 1 75 75 THR CB C 75 69.640 69.640 69.240 0.400 25143 2125 1 9 . 1 1 75 75 THR H H 75 8.889 8.889 8.450 0.439 25143 2126 1 9 . 1 1 76 76 LEU N N 76 128.330 128.330 126.591 1.739 25143 2127 1 9 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.914 1.019 25143 2128 1 9 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.532 -2.023 25143 2129 1 9 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.451 -1.257 25143 2130 1 9 . 1 1 76 76 LEU H H 76 8.767 8.767 8.757 0.010 25143 2131 1 9 . 1 1 77 77 CYS N N 77 119.360 119.360 116.957 2.403 25143 2132 1 9 . 1 1 77 77 CYS HA H 77 4.732 4.732 5.544 -0.812 25143 2133 1 9 . 1 1 77 77 CYS CA C 77 56.870 56.870 55.485 1.385 25143 2134 1 9 . 1 1 77 77 CYS CB C 77 31.698 31.698 30.648 1.050 25143 2135 1 9 . 1 1 77 77 CYS H H 77 9.510 9.510 8.239 1.271 25143 2136 1 9 . 1 1 78 78 SER N N 78 114.841 114.841 117.400 -2.559 25143 2137 1 9 . 1 1 78 78 SER HA H 78 4.037 4.037 4.103 -0.066 25143 2138 1 9 . 1 1 78 78 SER CA C 78 61.756 61.756 61.940 -0.184 25143 2139 1 9 . 1 1 78 78 SER CB C 78 62.254 62.254 62.690 -0.436 25143 2140 1 9 . 1 1 78 78 SER H H 78 8.593 8.593 8.600 -0.007 25143 2141 1 9 . 1 1 79 79 GLY N N 79 111.904 111.904 109.426 2.478 25143 2142 1 9 . 1 1 79 79 GLY CA C 79 46.777 46.777 46.988 -0.211 25143 2143 1 9 . 1 1 79 79 GLY H H 79 8.391 8.391 8.575 -0.184 25143 2144 1 9 . 1 1 80 80 CYS N N 80 126.807 126.807 120.776 6.031 25143 2145 1 9 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.166 -0.212 25143 2146 1 9 . 1 1 80 80 CYS CA C 80 65.189 65.189 63.412 1.777 25143 2147 1 9 . 1 1 80 80 CYS CB C 80 28.846 28.846 27.853 0.993 25143 2148 1 9 . 1 1 80 80 CYS H H 80 9.039 9.039 7.444 1.595 25143 2149 1 9 . 1 1 81 81 LEU N N 81 120.440 120.440 122.291 -1.851 25143 2150 1 9 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.243 -0.111 25143 2151 1 9 . 1 1 81 81 LEU CA C 81 57.443 57.443 58.017 -0.574 25143 2152 1 9 . 1 1 81 81 LEU CB C 81 41.782 41.782 42.260 -0.478 25143 2153 1 9 . 1 1 81 81 LEU H H 81 8.109 8.109 7.714 0.395 25143 2154 1 9 . 1 1 82 82 GLU N N 82 120.149 120.149 116.056 4.093 25143 2155 1 9 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.090 -0.053 25143 2156 1 9 . 1 1 82 82 GLU CA C 82 59.319 59.319 58.935 0.384 25143 2157 1 9 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.929 -1.002 25143 2158 1 9 . 1 1 82 82 GLU H H 82 8.432 8.432 8.354 0.078 25143 2159 1 9 . 1 1 83 83 ALA N N 83 120.334 120.334 121.663 -1.329 25143 2160 1 9 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.354 -0.055 25143 2161 1 9 . 1 1 83 83 ALA CA C 83 53.543 53.543 53.812 -0.269 25143 2162 1 9 . 1 1 83 83 ALA CB C 83 18.334 18.334 19.570 -1.236 25143 2163 1 9 . 1 1 83 83 ALA H H 83 7.715 7.715 7.736 -0.021 25143 2164 1 9 . 1 1 84 84 SER N N 84 112.368 112.368 114.458 -2.090 25143 2165 1 9 . 1 1 84 84 SER HA H 84 4.494 4.494 4.614 -0.120 25143 2166 1 9 . 1 1 84 84 SER CA C 84 58.210 58.210 57.550 0.660 25143 2167 1 9 . 1 1 84 84 SER CB C 84 63.837 63.837 62.850 0.987 25143 2168 1 9 . 1 1 84 84 SER H H 84 7.570 7.570 8.397 -0.827 25143 2169 1 9 . 1 1 85 85 GLY N N 85 110.612 110.612 109.702 0.910 25143 2170 1 9 . 1 1 85 85 GLY CA C 85 46.841 46.841 45.203 1.638 25143 2171 1 9 . 1 1 85 85 GLY H H 85 7.955 7.955 7.361 0.594 25143 2172 1 9 . 1 1 86 86 MET N N 86 113.856 113.856 121.579 -7.723 25143 2173 1 9 . 1 1 86 86 MET HA H 86 3.804 3.804 4.457 -0.653 25143 2174 1 9 . 1 1 86 86 MET CA C 86 55.160 55.160 55.511 -0.351 25143 2175 1 9 . 1 1 86 86 MET CB C 86 28.494 28.494 32.091 -3.597 25143 2176 1 9 . 1 1 86 86 MET H H 86 8.489 8.489 8.327 0.162 25143 2177 1 9 . 1 1 87 87 GLN N N 87 116.394 116.394 118.933 -2.539 25143 2178 1 9 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.600 -0.151 25143 2179 1 9 . 1 1 87 87 GLN CA C 87 53.404 53.404 54.571 -1.167 25143 2180 1 9 . 1 1 87 87 GLN CB C 87 30.964 30.964 31.519 -0.555 25143 2181 1 9 . 1 1 87 87 GLN H H 87 7.188 7.188 7.523 -0.335 25143 2182 1 9 . 1 1 88 88 CYS N N 88 124.484 124.484 118.390 6.094 25143 2183 1 9 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.995 -0.695 25143 2184 1 9 . 1 1 88 88 CYS CA C 88 57.101 57.101 54.791 2.310 25143 2185 1 9 . 1 1 88 88 CYS CB C 88 31.117 31.117 28.006 3.111 25143 2186 1 9 . 1 1 88 88 CYS H H 88 8.616 8.616 8.702 -0.086 25143 2187 1 9 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.467 0.042 25143 2188 1 9 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.220 -0.505 25143 2189 1 9 . 1 1 89 89 PRO CB C 89 31.717 31.717 32.379 -0.662 25143 2190 1 9 . 1 1 90 90 ILE N N 90 123.484 123.484 117.135 6.349 25143 2191 1 9 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.670 0.113 25143 2192 1 9 . 1 1 90 90 ILE CA C 90 62.878 62.878 64.295 -1.417 25143 2193 1 9 . 1 1 90 90 ILE CB C 90 37.483 37.483 37.583 -0.100 25143 2194 1 9 . 1 1 90 90 ILE H H 90 8.908 8.908 8.096 0.812 25143 2195 1 9 . 1 1 91 91 CYS N N 91 120.890 120.890 113.005 7.885 25143 2196 1 9 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.503 0.014 25143 2197 1 9 . 1 1 91 91 CYS CA C 91 60.891 60.891 58.082 2.809 25143 2198 1 9 . 1 1 91 91 CYS CB C 91 31.244 31.244 28.958 2.286 25143 2199 1 9 . 1 1 91 91 CYS H H 91 8.587 8.587 7.439 1.148 25143 2200 1 9 . 1 1 92 92 GLN N N 92 116.563 116.563 120.375 -3.812 25143 2201 1 9 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.410 -0.278 25143 2202 1 9 . 1 1 92 92 GLN CA C 92 56.824 56.824 56.504 0.320 25143 2203 1 9 . 1 1 92 92 GLN CB C 92 27.216 27.216 30.298 -3.082 25143 2204 1 9 . 1 1 92 92 GLN H H 92 7.787 7.787 7.743 0.044 25143 2205 1 9 . 1 1 93 93 ALA N N 93 125.273 125.273 124.063 1.210 25143 2206 1 9 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.385 0.176 25143 2207 1 9 . 1 1 93 93 ALA CA C 93 50.862 50.862 50.745 0.117 25143 2208 1 9 . 1 1 93 93 ALA CB C 93 18.415 18.415 18.609 -0.194 25143 2209 1 9 . 1 1 93 93 ALA H H 93 8.031 8.031 8.246 -0.215 25143 2210 1 9 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.534 0.004 25143 2211 1 9 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.780 -0.267 25143 2212 1 9 . 1 1 94 94 PRO CB C 94 31.684 31.684 32.188 -0.504 25143 2213 1 9 . 1 1 95 95 TRP N N 95 121.986 121.986 124.585 -2.599 25143 2214 1 9 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.617 0.425 25143 2215 1 9 . 1 1 95 95 TRP CA C 95 54.005 54.005 56.011 -2.006 25143 2216 1 9 . 1 1 95 95 TRP CB C 95 28.846 28.846 29.079 -0.233 25143 2217 1 9 . 1 1 95 95 TRP H H 95 8.012 8.012 8.436 -0.424 25143 2218 1 9 . 1 1 96 96 PRO CA C 96 62.690 62.690 63.021 -0.331 25143 2219 1 9 . 1 1 96 96 PRO CB C 96 31.770 31.770 30.178 1.591 25143 2220 1 9 . 1 1 97 97 LEU N N 97 122.075 122.075 120.578 1.497 25143 2221 1 9 . 1 1 97 97 LEU HA H 97 4.299 4.299 4.126 0.173 25143 2222 1 9 . 1 1 97 97 LEU CA C 97 55.206 55.206 56.561 -1.355 25143 2223 1 9 . 1 1 97 97 LEU CB C 97 42.046 42.046 41.856 0.190 25143 2224 1 9 . 1 1 97 97 LEU H H 97 8.145 8.145 8.377 -0.232 25143 2225 1 9 . 1 1 98 98 GLY N N 98 110.020 110.020 107.509 2.511 25143 2226 1 9 . 1 1 98 98 GLY CA C 98 45.085 45.085 45.847 -0.762 25143 2227 1 9 . 1 1 98 98 GLY H H 98 8.444 8.444 8.397 0.047 25143 2228 1 9 . 1 1 99 99 ALA N N 99 123.511 123.511 122.154 1.357 25143 2229 1 9 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.480 -0.181 25143 2230 1 9 . 1 1 99 99 ALA CA C 99 52.249 52.249 52.084 0.165 25143 2231 1 9 . 1 1 99 99 ALA CB C 99 18.936 18.936 20.667 -1.731 25143 2232 1 9 . 1 1 99 99 ALA H H 99 8.176 8.176 7.602 0.574 25143 2233 1 9 . 1 1 100 100 ASP N N 100 119.098 119.098 121.022 -1.924 25143 2234 1 9 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.864 -0.303 25143 2235 1 9 . 1 1 100 100 ASP CA C 100 53.912 53.912 53.564 0.348 25143 2236 1 9 . 1 1 100 100 ASP CB C 100 40.580 40.580 42.422 -1.842 25143 2237 1 9 . 1 1 100 100 ASP H H 100 8.383 8.383 8.279 0.104 25143 2238 1 9 . 1 1 101 101 THR N N 101 116.696 116.696 116.611 0.085 25143 2239 1 9 . 1 1 101 101 THR HA H 101 4.517 4.517 4.838 -0.321 25143 2240 1 9 . 1 1 101 101 THR CA C 101 59.551 59.551 59.266 0.285 25143 2241 1 9 . 1 1 101 101 THR CB C 101 69.589 69.589 68.633 0.956 25143 2242 1 9 . 1 1 101 101 THR H H 101 8.017 8.017 7.940 0.077 25143 2243 1 9 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.343 -0.007 25143 2244 1 9 . 1 1 102 102 PRO CA C 102 62.884 62.884 63.814 -0.930 25143 2245 1 9 . 1 1 102 102 PRO CB C 102 31.767 31.767 31.792 -0.025 25143 2246 1 9 . 1 1 103 103 ALA N N 103 125.184 125.184 122.481 2.703 25143 2247 1 9 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.309 -0.024 25143 2248 1 9 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.964 0.053 25143 2249 1 9 . 1 1 103 103 ALA CB C 103 18.974 18.974 17.702 1.272 25143 2250 1 9 . 1 1 103 103 ALA H H 103 8.333 8.333 7.834 0.499 25143 2251 1 10 . 1 1 50 50 GLU N N 50 120.583 120.583 120.179 0.404 25143 2252 1 10 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.757 -0.589 25143 2253 1 10 . 1 1 50 50 GLU CA C 50 56.824 56.824 55.920 0.904 25143 2254 1 10 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.962 -1.244 25143 2255 1 10 . 1 1 50 50 GLU H H 50 8.300 8.300 8.230 0.070 25143 2256 1 10 . 1 1 51 51 GLU N N 51 121.142 121.142 120.718 0.424 25143 2257 1 10 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.733 -0.609 25143 2258 1 10 . 1 1 51 51 GLU CA C 51 56.362 56.362 56.081 0.281 25143 2259 1 10 . 1 1 51 51 GLU CB C 51 29.727 29.727 31.082 -1.355 25143 2260 1 10 . 1 1 51 51 GLU H H 51 8.140 8.140 8.619 -0.479 25143 2261 1 10 . 1 1 52 52 PHE N N 52 120.500 120.500 120.840 -0.340 25143 2262 1 10 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.708 -0.193 25143 2263 1 10 . 1 1 52 52 PHE CA C 52 57.409 57.409 57.257 0.152 25143 2264 1 10 . 1 1 52 52 PHE CB C 52 39.326 39.326 41.168 -1.842 25143 2265 1 10 . 1 1 52 52 PHE H H 52 8.106 8.106 8.616 -0.510 25143 2266 1 10 . 1 1 53 53 GLN N N 53 121.616 121.616 123.199 -1.583 25143 2267 1 10 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.745 -0.533 25143 2268 1 10 . 1 1 53 53 GLN CA C 53 55.345 55.345 55.425 -0.080 25143 2269 1 10 . 1 1 53 53 GLN CB C 53 29.357 29.357 28.908 0.449 25143 2270 1 10 . 1 1 53 53 GLN H H 53 8.047 8.047 8.168 -0.121 25143 2271 1 10 . 1 1 54 54 PHE N N 54 120.217 120.217 119.813 0.404 25143 2272 1 10 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.939 -0.291 25143 2273 1 10 . 1 1 54 54 PHE CA C 54 56.824 56.824 57.101 -0.277 25143 2274 1 10 . 1 1 54 54 PHE CB C 54 39.522 39.522 40.047 -0.525 25143 2275 1 10 . 1 1 54 54 PHE H H 54 7.956 7.956 8.732 -0.776 25143 2276 1 10 . 1 1 55 55 LEU N N 55 123.391 123.391 118.988 4.403 25143 2277 1 10 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.571 -0.185 25143 2278 1 10 . 1 1 55 55 LEU CA C 55 54.421 54.421 53.064 1.357 25143 2279 1 10 . 1 1 55 55 LEU CB C 55 43.024 43.024 44.426 -1.402 25143 2280 1 10 . 1 1 55 55 LEU H H 55 8.567 8.567 8.024 0.543 25143 2281 1 10 . 1 1 56 56 ARG N N 56 120.442 120.442 118.765 1.677 25143 2282 1 10 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.645 -0.076 25143 2283 1 10 . 1 1 56 56 ARG CA C 56 54.553 54.553 55.080 -0.527 25143 2284 1 10 . 1 1 56 56 ARG CB C 56 31.817 31.817 33.509 -1.692 25143 2285 1 10 . 1 1 56 56 ARG H H 56 8.101 8.101 8.287 -0.186 25143 2286 1 10 . 1 1 57 57 CYS N N 57 123.891 123.891 123.623 0.268 25143 2287 1 10 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.360 -0.407 25143 2288 1 10 . 1 1 57 57 CYS CA C 57 59.135 59.135 58.794 0.341 25143 2289 1 10 . 1 1 57 57 CYS CB C 57 31.290 31.290 29.054 2.236 25143 2290 1 10 . 1 1 57 57 CYS H H 57 8.828 8.828 8.387 0.441 25143 2291 1 10 . 1 1 58 58 GLN N N 58 128.172 128.172 128.601 -0.429 25143 2292 1 10 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.067 0.054 25143 2293 1 10 . 1 1 58 58 GLN CA C 58 58.528 58.528 58.224 0.304 25143 2294 1 10 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.762 1.188 25143 2295 1 10 . 1 1 58 58 GLN H H 58 9.222 9.222 8.689 0.533 25143 2296 1 10 . 1 1 59 59 GLN N N 59 121.709 121.709 118.601 3.108 25143 2297 1 10 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.277 0.312 25143 2298 1 10 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.618 -0.009 25143 2299 1 10 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.263 0.454 25143 2300 1 10 . 1 1 59 59 GLN H H 59 9.200 9.200 8.273 0.927 25143 2301 1 10 . 1 1 60 60 CYS N N 60 119.482 119.482 116.285 3.197 25143 2302 1 10 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.656 0.138 25143 2303 1 10 . 1 1 60 60 CYS CA C 60 59.458 59.458 58.303 1.155 25143 2304 1 10 . 1 1 60 60 CYS CB C 60 32.179 32.179 29.877 2.302 25143 2305 1 10 . 1 1 60 60 CYS H H 60 8.566 8.566 7.402 1.164 25143 2306 1 10 . 1 1 61 61 GLN N N 61 115.153 115.153 118.267 -3.114 25143 2307 1 10 . 1 1 61 61 GLN HA H 61 4.153 4.153 4.014 0.139 25143 2308 1 10 . 1 1 61 61 GLN CA C 61 57.979 57.979 57.028 0.952 25143 2309 1 10 . 1 1 61 61 GLN CB C 61 25.342 25.342 27.135 -1.793 25143 2310 1 10 . 1 1 61 61 GLN H H 61 7.672 7.672 8.250 -0.578 25143 2311 1 10 . 1 1 62 62 ALA N N 62 124.669 124.669 119.120 5.549 25143 2312 1 10 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.680 -0.243 25143 2313 1 10 . 1 1 62 62 ALA CA C 62 52.064 52.064 50.958 1.106 25143 2314 1 10 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.445 -0.623 25143 2315 1 10 . 1 1 62 62 ALA H H 62 8.728 8.728 7.408 1.320 25143 2316 1 10 . 1 1 63 63 GLU N N 63 119.649 119.649 120.144 -0.495 25143 2317 1 10 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.189 -0.152 25143 2318 1 10 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.652 -0.320 25143 2319 1 10 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.796 -0.534 25143 2320 1 10 . 1 1 63 63 GLU H H 63 8.523 8.523 8.573 -0.050 25143 2321 1 10 . 1 1 64 64 ALA N N 64 128.762 128.762 127.394 1.368 25143 2322 1 10 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.271 0.115 25143 2323 1 10 . 1 1 64 64 ALA CA C 64 50.354 50.354 52.047 -1.694 25143 2324 1 10 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.579 -1.244 25143 2325 1 10 . 1 1 64 64 ALA H H 64 8.581 8.581 8.343 0.238 25143 2326 1 10 . 1 1 65 65 LYS N N 65 122.223 122.223 121.481 0.742 25143 2327 1 10 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.105 -0.024 25143 2328 1 10 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.139 -1.084 25143 2329 1 10 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.892 -0.586 25143 2330 1 10 . 1 1 65 65 LYS H H 65 8.175 8.175 8.647 -0.472 25143 2331 1 10 . 1 1 66 66 CYS N N 66 117.296 117.296 115.810 1.486 25143 2332 1 10 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.809 -0.117 25143 2333 1 10 . 1 1 66 66 CYS CA C 66 53.727 53.727 55.695 -1.968 25143 2334 1 10 . 1 1 66 66 CYS H H 66 8.790 8.790 7.871 0.919 25143 2335 1 10 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.443 -0.046 25143 2336 1 10 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.959 -0.130 25143 2337 1 10 . 1 1 67 67 PRO CB C 67 31.785 31.785 30.773 1.012 25143 2338 1 10 . 1 1 68 68 LYS N N 68 121.724 121.724 124.411 -2.687 25143 2339 1 10 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.592 -0.307 25143 2340 1 10 . 1 1 68 68 LYS CA C 68 54.929 54.929 54.817 0.112 25143 2341 1 10 . 1 1 68 68 LYS CB C 68 33.327 33.327 33.045 0.282 25143 2342 1 10 . 1 1 68 68 LYS H H 68 8.662 8.662 8.000 0.662 25143 2343 1 10 . 1 1 69 69 LEU N N 69 125.851 125.851 126.028 -0.177 25143 2344 1 10 . 1 1 69 69 LEU HA H 69 4.474 4.474 5.059 -0.585 25143 2345 1 10 . 1 1 69 69 LEU CA C 69 54.454 54.454 54.029 0.425 25143 2346 1 10 . 1 1 69 69 LEU CB C 69 41.720 41.720 44.034 -2.314 25143 2347 1 10 . 1 1 69 69 LEU H H 69 8.320 8.320 8.433 -0.113 25143 2348 1 10 . 1 1 70 70 LEU N N 70 128.488 128.488 123.802 4.686 25143 2349 1 10 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.910 -0.262 25143 2350 1 10 . 1 1 70 70 LEU CA C 70 53.127 53.127 51.742 1.385 25143 2351 1 10 . 1 1 70 70 LEU CB C 70 42.832 42.832 42.744 0.088 25143 2352 1 10 . 1 1 70 70 LEU H H 70 8.677 8.677 8.079 0.598 25143 2353 1 10 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.349 -0.073 25143 2354 1 10 . 1 1 71 71 PRO CA C 71 64.790 64.790 65.117 -0.327 25143 2355 1 10 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.715 -0.255 25143 2356 1 10 . 1 1 72 72 CYS N N 72 112.135 112.135 118.090 -5.955 25143 2357 1 10 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.479 -0.205 25143 2358 1 10 . 1 1 72 72 CYS CA C 72 57.194 57.194 57.953 -0.759 25143 2359 1 10 . 1 1 72 72 CYS CB C 72 31.085 31.085 26.236 4.849 25143 2360 1 10 . 1 1 72 72 CYS H H 72 7.204 7.204 7.670 -0.466 25143 2361 1 10 . 1 1 73 73 LEU N N 73 114.341 114.341 121.602 -7.261 25143 2362 1 10 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.881 -0.013 25143 2363 1 10 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.939 0.561 25143 2364 1 10 . 1 1 73 73 LEU CB C 73 37.671 37.671 39.595 -1.924 25143 2365 1 10 . 1 1 73 73 LEU H H 73 8.043 8.043 7.570 0.473 25143 2366 1 10 . 1 1 74 74 HIS N N 74 120.386 120.386 118.126 2.260 25143 2367 1 10 . 1 1 74 74 HIS HA H 74 4.990 4.990 4.947 0.043 25143 2368 1 10 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.595 4.077 25143 2369 1 10 . 1 1 74 74 HIS CB C 74 31.354 31.354 34.572 -3.218 25143 2370 1 10 . 1 1 74 74 HIS H H 74 7.831 7.831 7.870 -0.039 25143 2371 1 10 . 1 1 75 75 THR N N 75 118.963 118.963 118.218 0.745 25143 2372 1 10 . 1 1 75 75 THR HA H 75 4.730 4.730 4.549 0.181 25143 2373 1 10 . 1 1 75 75 THR CA C 75 62.185 62.185 62.372 -0.187 25143 2374 1 10 . 1 1 75 75 THR CB C 75 69.640 69.640 69.591 0.049 25143 2375 1 10 . 1 1 75 75 THR H H 75 8.889 8.889 8.709 0.180 25143 2376 1 10 . 1 1 76 76 LEU N N 76 128.330 128.330 126.723 1.607 25143 2377 1 10 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.959 0.974 25143 2378 1 10 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.322 -1.813 25143 2379 1 10 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.357 -1.163 25143 2380 1 10 . 1 1 76 76 LEU H H 76 8.767 8.767 8.545 0.222 25143 2381 1 10 . 1 1 77 77 CYS N N 77 119.360 119.360 115.323 4.037 25143 2382 1 10 . 1 1 77 77 CYS HA H 77 4.732 4.732 5.369 -0.637 25143 2383 1 10 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.477 0.393 25143 2384 1 10 . 1 1 77 77 CYS CB C 77 31.698 31.698 30.978 0.720 25143 2385 1 10 . 1 1 77 77 CYS H H 77 9.510 9.510 8.165 1.345 25143 2386 1 10 . 1 1 78 78 SER N N 78 114.841 114.841 117.338 -2.497 25143 2387 1 10 . 1 1 78 78 SER HA H 78 4.037 4.037 4.061 -0.024 25143 2388 1 10 . 1 1 78 78 SER CA C 78 61.756 61.756 61.623 0.133 25143 2389 1 10 . 1 1 78 78 SER CB C 78 62.254 62.254 62.562 -0.308 25143 2390 1 10 . 1 1 78 78 SER H H 78 8.593 8.593 8.973 -0.380 25143 2391 1 10 . 1 1 79 79 GLY N N 79 111.904 111.904 109.655 2.249 25143 2392 1 10 . 1 1 79 79 GLY CA C 79 46.777 46.777 46.935 -0.158 25143 2393 1 10 . 1 1 79 79 GLY H H 79 8.391 8.391 8.815 -0.424 25143 2394 1 10 . 1 1 80 80 CYS N N 80 126.807 126.807 121.115 5.692 25143 2395 1 10 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.252 -0.298 25143 2396 1 10 . 1 1 80 80 CYS CA C 80 65.189 65.189 63.849 1.340 25143 2397 1 10 . 1 1 80 80 CYS CB C 80 28.846 28.846 27.584 1.262 25143 2398 1 10 . 1 1 80 80 CYS H H 80 9.039 9.039 7.866 1.173 25143 2399 1 10 . 1 1 81 81 LEU N N 81 120.440 120.440 122.144 -1.704 25143 2400 1 10 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.388 -0.256 25143 2401 1 10 . 1 1 81 81 LEU CA C 81 57.443 57.443 57.729 -0.286 25143 2402 1 10 . 1 1 81 81 LEU CB C 81 41.782 41.782 42.378 -0.596 25143 2403 1 10 . 1 1 81 81 LEU H H 81 8.109 8.109 7.706 0.403 25143 2404 1 10 . 1 1 82 82 GLU N N 82 120.149 120.149 117.026 3.123 25143 2405 1 10 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.059 -0.022 25143 2406 1 10 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.066 0.253 25143 2407 1 10 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.948 -1.021 25143 2408 1 10 . 1 1 82 82 GLU H H 82 8.432 8.432 8.552 -0.120 25143 2409 1 10 . 1 1 83 83 ALA N N 83 120.334 120.334 121.399 -1.065 25143 2410 1 10 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.391 -0.092 25143 2411 1 10 . 1 1 83 83 ALA CA C 83 53.543 53.543 53.919 -0.376 25143 2412 1 10 . 1 1 83 83 ALA CB C 83 18.334 18.334 19.279 -0.945 25143 2413 1 10 . 1 1 83 83 ALA H H 83 7.715 7.715 7.776 -0.061 25143 2414 1 10 . 1 1 84 84 SER N N 84 112.368 112.368 113.115 -0.747 25143 2415 1 10 . 1 1 84 84 SER HA H 84 4.494 4.494 4.759 -0.265 25143 2416 1 10 . 1 1 84 84 SER CA C 84 58.210 58.210 56.400 1.810 25143 2417 1 10 . 1 1 84 84 SER CB C 84 63.837 63.837 63.030 0.807 25143 2418 1 10 . 1 1 84 84 SER H H 84 7.570 7.570 7.808 -0.238 25143 2419 1 10 . 1 1 85 85 GLY N N 85 110.612 110.612 110.026 0.586 25143 2420 1 10 . 1 1 85 85 GLY CA C 85 46.841 46.841 45.611 1.230 25143 2421 1 10 . 1 1 85 85 GLY H H 85 7.955 7.955 7.285 0.670 25143 2422 1 10 . 1 1 86 86 MET N N 86 113.856 113.856 120.758 -6.902 25143 2423 1 10 . 1 1 86 86 MET HA H 86 3.804 3.804 4.495 -0.691 25143 2424 1 10 . 1 1 86 86 MET CA C 86 55.160 55.160 55.028 0.132 25143 2425 1 10 . 1 1 86 86 MET CB C 86 28.494 28.494 32.362 -3.868 25143 2426 1 10 . 1 1 86 86 MET H H 86 8.489 8.489 8.352 0.137 25143 2427 1 10 . 1 1 87 87 GLN N N 87 116.394 116.394 119.362 -2.968 25143 2428 1 10 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.537 -0.088 25143 2429 1 10 . 1 1 87 87 GLN CA C 87 53.404 53.404 54.948 -1.544 25143 2430 1 10 . 1 1 87 87 GLN CB C 87 30.964 30.964 31.166 -0.202 25143 2431 1 10 . 1 1 87 87 GLN H H 87 7.188 7.188 7.548 -0.360 25143 2432 1 10 . 1 1 88 88 CYS N N 88 124.484 124.484 118.902 5.582 25143 2433 1 10 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.884 -0.584 25143 2434 1 10 . 1 1 88 88 CYS CA C 88 57.101 57.101 55.101 2.000 25143 2435 1 10 . 1 1 88 88 CYS CB C 88 31.117 31.117 28.655 2.462 25143 2436 1 10 . 1 1 88 88 CYS H H 88 8.616 8.616 8.680 -0.064 25143 2437 1 10 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.315 0.194 25143 2438 1 10 . 1 1 89 89 PRO CA C 89 63.715 63.715 63.875 -0.160 25143 2439 1 10 . 1 1 89 89 PRO CB C 89 31.717 31.717 31.918 -0.201 25143 2440 1 10 . 1 1 90 90 ILE N N 90 123.484 123.484 120.319 3.165 25143 2441 1 10 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.764 0.019 25143 2442 1 10 . 1 1 90 90 ILE CA C 90 62.878 62.878 64.138 -1.260 25143 2443 1 10 . 1 1 90 90 ILE CB C 90 37.483 37.483 37.590 -0.107 25143 2444 1 10 . 1 1 90 90 ILE H H 90 8.908 8.908 8.280 0.628 25143 2445 1 10 . 1 1 91 91 CYS N N 91 120.890 120.890 115.840 5.050 25143 2446 1 10 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.202 0.315 25143 2447 1 10 . 1 1 91 91 CYS CA C 91 60.891 60.891 58.083 2.808 25143 2448 1 10 . 1 1 91 91 CYS CB C 91 31.244 31.244 27.654 3.590 25143 2449 1 10 . 1 1 91 91 CYS H H 91 8.587 8.587 7.717 0.870 25143 2450 1 10 . 1 1 92 92 GLN N N 92 116.563 116.563 121.670 -5.107 25143 2451 1 10 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.284 -0.152 25143 2452 1 10 . 1 1 92 92 GLN CA C 92 56.824 56.824 56.791 0.033 25143 2453 1 10 . 1 1 92 92 GLN CB C 92 27.216 27.216 29.035 -1.819 25143 2454 1 10 . 1 1 92 92 GLN H H 92 7.787 7.787 7.347 0.440 25143 2455 1 10 . 1 1 93 93 ALA N N 93 125.273 125.273 124.478 0.795 25143 2456 1 10 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.385 0.176 25143 2457 1 10 . 1 1 93 93 ALA CA C 93 50.862 50.862 50.839 0.023 25143 2458 1 10 . 1 1 93 93 ALA CB C 93 18.415 18.415 18.623 -0.208 25143 2459 1 10 . 1 1 93 93 ALA H H 93 8.031 8.031 8.011 0.020 25143 2460 1 10 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.535 0.003 25143 2461 1 10 . 1 1 94 94 PRO CA C 94 62.513 62.513 63.065 -0.552 25143 2462 1 10 . 1 1 94 94 PRO CB C 94 31.684 31.684 32.337 -0.654 25143 2463 1 10 . 1 1 95 95 TRP N N 95 121.986 121.986 123.278 -1.292 25143 2464 1 10 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.927 0.115 25143 2465 1 10 . 1 1 95 95 TRP CA C 95 54.005 54.005 54.691 -0.686 25143 2466 1 10 . 1 1 95 95 TRP CB C 95 28.846 28.846 30.290 -1.444 25143 2467 1 10 . 1 1 95 95 TRP H H 95 8.012 8.012 8.221 -0.209 25143 2468 1 10 . 1 1 96 96 PRO CA C 96 62.690 62.690 62.701 -0.011 25143 2469 1 10 . 1 1 96 96 PRO CB C 96 31.770 31.770 32.004 -0.234 25143 2470 1 10 . 1 1 97 97 LEU N N 97 122.075 122.075 124.778 -2.703 25143 2471 1 10 . 1 1 97 97 LEU HA H 97 4.299 4.299 4.116 0.183 25143 2472 1 10 . 1 1 97 97 LEU CA C 97 55.206 55.206 56.098 -0.892 25143 2473 1 10 . 1 1 97 97 LEU CB C 97 42.046 42.046 42.002 0.044 25143 2474 1 10 . 1 1 97 97 LEU H H 97 8.145 8.145 8.606 -0.461 25143 2475 1 10 . 1 1 98 98 GLY N N 98 110.020 110.020 111.903 -1.883 25143 2476 1 10 . 1 1 98 98 GLY CA C 98 45.085 45.085 45.565 -0.479 25143 2477 1 10 . 1 1 98 98 GLY H H 98 8.444 8.444 8.621 -0.177 25143 2478 1 10 . 1 1 99 99 ALA N N 99 123.511 123.511 125.197 -1.686 25143 2479 1 10 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.419 -0.120 25143 2480 1 10 . 1 1 99 99 ALA CA C 99 52.249 52.249 51.977 0.272 25143 2481 1 10 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.328 -0.392 25143 2482 1 10 . 1 1 99 99 ALA H H 99 8.176 8.176 8.191 -0.015 25143 2483 1 10 . 1 1 100 100 ASP N N 100 119.098 119.098 121.662 -2.564 25143 2484 1 10 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.563 -0.002 25143 2485 1 10 . 1 1 100 100 ASP CA C 100 53.912 53.912 54.108 -0.197 25143 2486 1 10 . 1 1 100 100 ASP CB C 100 40.580 40.580 41.696 -1.116 25143 2487 1 10 . 1 1 100 100 ASP H H 100 8.383 8.383 8.441 -0.058 25143 2488 1 10 . 1 1 101 101 THR N N 101 116.696 116.696 114.247 2.449 25143 2489 1 10 . 1 1 101 101 THR HA H 101 4.517 4.517 4.572 -0.055 25143 2490 1 10 . 1 1 101 101 THR CA C 101 59.551 59.551 60.221 -0.670 25143 2491 1 10 . 1 1 101 101 THR CB C 101 69.589 69.589 69.491 0.098 25143 2492 1 10 . 1 1 101 101 THR H H 101 8.017 8.017 8.107 -0.090 25143 2493 1 10 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.401 -0.065 25143 2494 1 10 . 1 1 102 102 PRO CA C 102 62.884 62.884 63.529 -0.645 25143 2495 1 10 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.210 -0.443 25143 2496 1 10 . 1 1 103 103 ALA N N 103 125.184 125.184 122.365 2.819 25143 2497 1 10 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.291 -0.006 25143 2498 1 10 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.954 0.063 25143 2499 1 10 . 1 1 103 103 ALA CB C 103 18.974 18.974 17.952 1.022 25143 2500 1 10 . 1 1 103 103 ALA H H 103 8.333 8.333 7.956 0.377 25143 2501 1 11 . 1 1 50 50 GLU N N 50 120.583 120.583 120.482 0.101 25143 2502 1 11 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.414 -0.246 25143 2503 1 11 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.572 0.252 25143 2504 1 11 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.602 -0.884 25143 2505 1 11 . 1 1 50 50 GLU H H 50 8.300 8.300 8.246 0.054 25143 2506 1 11 . 1 1 51 51 GLU N N 51 121.142 121.142 121.729 -0.587 25143 2507 1 11 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.383 -0.259 25143 2508 1 11 . 1 1 51 51 GLU CA C 51 56.362 56.362 56.879 -0.517 25143 2509 1 11 . 1 1 51 51 GLU CB C 51 29.727 29.727 30.538 -0.811 25143 2510 1 11 . 1 1 51 51 GLU H H 51 8.140 8.140 8.707 -0.567 25143 2511 1 11 . 1 1 52 52 PHE N N 52 120.500 120.500 120.714 -0.214 25143 2512 1 11 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.758 -0.243 25143 2513 1 11 . 1 1 52 52 PHE CA C 52 57.409 57.409 57.316 0.093 25143 2514 1 11 . 1 1 52 52 PHE CB C 52 39.326 39.326 40.810 -1.484 25143 2515 1 11 . 1 1 52 52 PHE H H 52 8.106 8.106 7.832 0.274 25143 2516 1 11 . 1 1 53 53 GLN N N 53 121.616 121.616 122.277 -0.661 25143 2517 1 11 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.280 -0.068 25143 2518 1 11 . 1 1 53 53 GLN CA C 53 55.345 55.345 55.603 -0.258 25143 2519 1 11 . 1 1 53 53 GLN CB C 53 29.357 29.357 29.340 0.017 25143 2520 1 11 . 1 1 53 53 GLN H H 53 8.047 8.047 7.657 0.390 25143 2521 1 11 . 1 1 54 54 PHE N N 54 120.217 120.217 119.633 0.584 25143 2522 1 11 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.769 -0.121 25143 2523 1 11 . 1 1 54 54 PHE CA C 54 56.824 56.824 57.192 -0.368 25143 2524 1 11 . 1 1 54 54 PHE CB C 54 39.522 39.522 41.067 -1.545 25143 2525 1 11 . 1 1 54 54 PHE H H 54 7.956 7.956 8.487 -0.531 25143 2526 1 11 . 1 1 55 55 LEU N N 55 123.391 123.391 126.195 -2.804 25143 2527 1 11 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.416 -0.030 25143 2528 1 11 . 1 1 55 55 LEU CA C 55 54.421 54.421 53.943 0.478 25143 2529 1 11 . 1 1 55 55 LEU CB C 55 43.024 43.024 43.310 -0.286 25143 2530 1 11 . 1 1 55 55 LEU H H 55 8.567 8.567 7.567 1.000 25143 2531 1 11 . 1 1 56 56 ARG N N 56 120.442 120.442 124.658 -4.216 25143 2532 1 11 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.431 0.138 25143 2533 1 11 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.839 -0.286 25143 2534 1 11 . 1 1 56 56 ARG CB C 56 31.817 31.817 32.649 -0.832 25143 2535 1 11 . 1 1 56 56 ARG H H 56 8.101 8.101 8.255 -0.154 25143 2536 1 11 . 1 1 57 57 CYS N N 57 123.891 123.891 122.361 1.530 25143 2537 1 11 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.369 -0.416 25143 2538 1 11 . 1 1 57 57 CYS CA C 57 59.135 59.135 59.215 -0.080 25143 2539 1 11 . 1 1 57 57 CYS CB C 57 31.290 31.290 29.511 1.779 25143 2540 1 11 . 1 1 57 57 CYS H H 57 8.828 8.828 8.343 0.485 25143 2541 1 11 . 1 1 58 58 GLN N N 58 128.172 128.172 127.473 0.699 25143 2542 1 11 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.086 0.035 25143 2543 1 11 . 1 1 58 58 GLN CA C 58 58.528 58.528 58.095 0.433 25143 2544 1 11 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.515 1.435 25143 2545 1 11 . 1 1 58 58 GLN H H 58 9.222 9.222 8.655 0.567 25143 2546 1 11 . 1 1 59 59 GLN N N 59 121.709 121.709 118.542 3.167 25143 2547 1 11 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.312 0.277 25143 2548 1 11 . 1 1 59 59 GLN CA C 59 57.609 57.609 58.108 -0.499 25143 2549 1 11 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.398 0.319 25143 2550 1 11 . 1 1 59 59 GLN H H 59 9.200 9.200 8.140 1.060 25143 2551 1 11 . 1 1 60 60 CYS N N 60 119.482 119.482 115.905 3.577 25143 2552 1 11 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.747 0.047 25143 2553 1 11 . 1 1 60 60 CYS CA C 60 59.458 59.458 57.798 1.660 25143 2554 1 11 . 1 1 60 60 CYS CB C 60 32.179 32.179 30.209 1.970 25143 2555 1 11 . 1 1 60 60 CYS H H 60 8.566 8.566 7.613 0.953 25143 2556 1 11 . 1 1 61 61 GLN N N 61 115.153 115.153 119.324 -4.171 25143 2557 1 11 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.989 0.164 25143 2558 1 11 . 1 1 61 61 GLN CA C 61 57.979 57.979 56.976 1.003 25143 2559 1 11 . 1 1 61 61 GLN CB C 61 25.342 25.342 26.478 -1.136 25143 2560 1 11 . 1 1 61 61 GLN H H 61 7.672 7.672 8.314 -0.642 25143 2561 1 11 . 1 1 62 62 ALA N N 62 124.669 124.669 121.107 3.562 25143 2562 1 11 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.655 -0.218 25143 2563 1 11 . 1 1 62 62 ALA CA C 62 52.064 52.064 51.241 0.823 25143 2564 1 11 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.910 -1.088 25143 2565 1 11 . 1 1 62 62 ALA H H 62 8.728 8.728 7.805 0.923 25143 2566 1 11 . 1 1 63 63 GLU N N 63 119.649 119.649 118.652 0.997 25143 2567 1 11 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.312 -0.275 25143 2568 1 11 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.020 0.312 25143 2569 1 11 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.586 -0.324 25143 2570 1 11 . 1 1 63 63 GLU H H 63 8.523 8.523 8.540 -0.017 25143 2571 1 11 . 1 1 64 64 ALA N N 64 128.762 128.762 128.339 0.423 25143 2572 1 11 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.320 0.066 25143 2573 1 11 . 1 1 64 64 ALA CA C 64 50.354 50.354 51.547 -1.193 25143 2574 1 11 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.105 -0.770 25143 2575 1 11 . 1 1 64 64 ALA H H 64 8.581 8.581 8.408 0.173 25143 2576 1 11 . 1 1 65 65 LYS N N 65 122.223 122.223 123.911 -1.688 25143 2577 1 11 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.124 -0.043 25143 2578 1 11 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.602 -1.547 25143 2579 1 11 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.868 -0.562 25143 2580 1 11 . 1 1 65 65 LYS H H 65 8.175 8.175 8.812 -0.637 25143 2581 1 11 . 1 1 66 66 CYS N N 66 117.296 117.296 116.272 1.024 25143 2582 1 11 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.792 -0.100 25143 2583 1 11 . 1 1 66 66 CYS CA C 66 53.727 53.727 55.559 -1.832 25143 2584 1 11 . 1 1 66 66 CYS H H 66 8.790 8.790 7.947 0.843 25143 2585 1 11 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.393 0.004 25143 2586 1 11 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.770 0.059 25143 2587 1 11 . 1 1 67 67 PRO CB C 67 31.785 31.785 30.713 1.072 25143 2588 1 11 . 1 1 68 68 LYS N N 68 121.724 121.724 124.408 -2.684 25143 2589 1 11 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.516 -0.231 25143 2590 1 11 . 1 1 68 68 LYS CA C 68 54.929 54.929 55.775 -0.846 25143 2591 1 11 . 1 1 68 68 LYS CB C 68 33.327 33.327 33.904 -0.577 25143 2592 1 11 . 1 1 68 68 LYS H H 68 8.662 8.662 7.966 0.696 25143 2593 1 11 . 1 1 69 69 LEU N N 69 125.851 125.851 125.271 0.580 25143 2594 1 11 . 1 1 69 69 LEU HA H 69 4.474 4.474 5.111 -0.637 25143 2595 1 11 . 1 1 69 69 LEU CA C 69 54.454 54.454 53.645 0.809 25143 2596 1 11 . 1 1 69 69 LEU CB C 69 41.720 41.720 43.852 -2.132 25143 2597 1 11 . 1 1 69 69 LEU H H 69 8.320 8.320 8.482 -0.162 25143 2598 1 11 . 1 1 70 70 LEU N N 70 128.488 128.488 124.048 4.440 25143 2599 1 11 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.870 -0.222 25143 2600 1 11 . 1 1 70 70 LEU CA C 70 53.127 53.127 52.039 1.088 25143 2601 1 11 . 1 1 70 70 LEU CB C 70 42.832 42.832 42.426 0.406 25143 2602 1 11 . 1 1 70 70 LEU H H 70 8.677 8.677 8.157 0.520 25143 2603 1 11 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.334 -0.058 25143 2604 1 11 . 1 1 71 71 PRO CA C 71 64.790 64.790 65.221 -0.431 25143 2605 1 11 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.726 -0.266 25143 2606 1 11 . 1 1 72 72 CYS N N 72 112.135 112.135 117.911 -5.776 25143 2607 1 11 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.451 -0.177 25143 2608 1 11 . 1 1 72 72 CYS CA C 72 57.194 57.194 57.751 -0.557 25143 2609 1 11 . 1 1 72 72 CYS CB C 72 31.085 31.085 26.695 4.390 25143 2610 1 11 . 1 1 72 72 CYS H H 72 7.204 7.204 7.676 -0.472 25143 2611 1 11 . 1 1 73 73 LEU N N 73 114.341 114.341 121.563 -7.222 25143 2612 1 11 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.852 0.016 25143 2613 1 11 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.806 0.694 25143 2614 1 11 . 1 1 73 73 LEU CB C 73 37.671 37.671 38.792 -1.121 25143 2615 1 11 . 1 1 73 73 LEU H H 73 8.043 8.043 7.420 0.623 25143 2616 1 11 . 1 1 74 74 HIS N N 74 120.386 120.386 119.460 0.926 25143 2617 1 11 . 1 1 74 74 HIS HA H 74 4.990 4.990 4.910 0.080 25143 2618 1 11 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.778 3.894 25143 2619 1 11 . 1 1 74 74 HIS CB C 74 31.354 31.354 33.939 -2.585 25143 2620 1 11 . 1 1 74 74 HIS H H 74 7.831 7.831 7.922 -0.091 25143 2621 1 11 . 1 1 75 75 THR N N 75 118.963 118.963 117.852 1.111 25143 2622 1 11 . 1 1 75 75 THR HA H 75 4.730 4.730 4.583 0.147 25143 2623 1 11 . 1 1 75 75 THR CA C 75 62.185 62.185 62.165 0.020 25143 2624 1 11 . 1 1 75 75 THR CB C 75 69.640 69.640 69.604 0.036 25143 2625 1 11 . 1 1 75 75 THR H H 75 8.889 8.889 8.480 0.409 25143 2626 1 11 . 1 1 76 76 LEU N N 76 128.330 128.330 126.700 1.630 25143 2627 1 11 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.868 1.065 25143 2628 1 11 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.691 -2.182 25143 2629 1 11 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.651 -1.458 25143 2630 1 11 . 1 1 76 76 LEU H H 76 8.767 8.767 8.549 0.218 25143 2631 1 11 . 1 1 77 77 CYS N N 77 119.360 119.360 115.466 3.894 25143 2632 1 11 . 1 1 77 77 CYS HA H 77 4.732 4.732 5.459 -0.727 25143 2633 1 11 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.124 0.746 25143 2634 1 11 . 1 1 77 77 CYS CB C 77 31.698 31.698 31.280 0.418 25143 2635 1 11 . 1 1 77 77 CYS H H 77 9.510 9.510 8.138 1.372 25143 2636 1 11 . 1 1 78 78 SER N N 78 114.841 114.841 118.131 -3.290 25143 2637 1 11 . 1 1 78 78 SER HA H 78 4.037 4.037 4.007 0.030 25143 2638 1 11 . 1 1 78 78 SER CA C 78 61.756 61.756 62.544 -0.788 25143 2639 1 11 . 1 1 78 78 SER CB C 78 62.254 62.254 62.702 -0.448 25143 2640 1 11 . 1 1 78 78 SER H H 78 8.593 8.593 8.891 -0.298 25143 2641 1 11 . 1 1 79 79 GLY N N 79 111.904 111.904 109.101 2.803 25143 2642 1 11 . 1 1 79 79 GLY CA C 79 46.777 46.777 46.777 0.000 25143 2643 1 11 . 1 1 79 79 GLY H H 79 8.391 8.391 8.468 -0.077 25143 2644 1 11 . 1 1 80 80 CYS N N 80 126.807 126.807 120.602 6.205 25143 2645 1 11 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.159 -0.205 25143 2646 1 11 . 1 1 80 80 CYS CA C 80 65.189 65.189 62.697 2.492 25143 2647 1 11 . 1 1 80 80 CYS CB C 80 28.846 28.846 27.665 1.181 25143 2648 1 11 . 1 1 80 80 CYS H H 80 9.039 9.039 7.478 1.561 25143 2649 1 11 . 1 1 81 81 LEU N N 81 120.440 120.440 122.564 -2.124 25143 2650 1 11 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.139 -0.007 25143 2651 1 11 . 1 1 81 81 LEU CA C 81 57.443 57.443 58.222 -0.779 25143 2652 1 11 . 1 1 81 81 LEU CB C 81 41.782 41.782 42.333 -0.550 25143 2653 1 11 . 1 1 81 81 LEU H H 81 8.109 8.109 8.198 -0.089 25143 2654 1 11 . 1 1 82 82 GLU N N 82 120.149 120.149 116.774 3.375 25143 2655 1 11 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.049 -0.012 25143 2656 1 11 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.064 0.255 25143 2657 1 11 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.681 -0.754 25143 2658 1 11 . 1 1 82 82 GLU H H 82 8.432 8.432 8.387 0.045 25143 2659 1 11 . 1 1 83 83 ALA N N 83 120.334 120.334 121.461 -1.127 25143 2660 1 11 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.379 -0.080 25143 2661 1 11 . 1 1 83 83 ALA CA C 83 53.543 53.543 54.138 -0.595 25143 2662 1 11 . 1 1 83 83 ALA CB C 83 18.334 18.334 19.220 -0.886 25143 2663 1 11 . 1 1 83 83 ALA H H 83 7.715 7.715 7.654 0.061 25143 2664 1 11 . 1 1 84 84 SER N N 84 112.368 112.368 113.150 -0.782 25143 2665 1 11 . 1 1 84 84 SER HA H 84 4.494 4.494 4.685 -0.191 25143 2666 1 11 . 1 1 84 84 SER CA C 84 58.210 58.210 57.302 0.908 25143 2667 1 11 . 1 1 84 84 SER CB C 84 63.837 63.837 63.258 0.579 25143 2668 1 11 . 1 1 84 84 SER H H 84 7.570 7.570 8.097 -0.527 25143 2669 1 11 . 1 1 85 85 GLY N N 85 110.612 110.612 110.058 0.554 25143 2670 1 11 . 1 1 85 85 GLY CA C 85 46.841 46.841 45.443 1.398 25143 2671 1 11 . 1 1 85 85 GLY H H 85 7.955 7.955 7.272 0.683 25143 2672 1 11 . 1 1 86 86 MET N N 86 113.856 113.856 121.269 -7.413 25143 2673 1 11 . 1 1 86 86 MET HA H 86 3.804 3.804 4.400 -0.596 25143 2674 1 11 . 1 1 86 86 MET CA C 86 55.160 55.160 55.422 -0.262 25143 2675 1 11 . 1 1 86 86 MET CB C 86 28.494 28.494 32.034 -3.540 25143 2676 1 11 . 1 1 86 86 MET H H 86 8.489 8.489 8.333 0.156 25143 2677 1 11 . 1 1 87 87 GLN N N 87 116.394 116.394 119.309 -2.915 25143 2678 1 11 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.544 -0.095 25143 2679 1 11 . 1 1 87 87 GLN CA C 87 53.404 53.404 55.413 -2.009 25143 2680 1 11 . 1 1 87 87 GLN CB C 87 30.964 30.964 31.573 -0.609 25143 2681 1 11 . 1 1 87 87 GLN H H 87 7.188 7.188 7.488 -0.300 25143 2682 1 11 . 1 1 88 88 CYS N N 88 124.484 124.484 118.201 6.283 25143 2683 1 11 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.892 -0.592 25143 2684 1 11 . 1 1 88 88 CYS CA C 88 57.101 57.101 55.330 1.771 25143 2685 1 11 . 1 1 88 88 CYS CB C 88 31.117 31.117 29.066 2.051 25143 2686 1 11 . 1 1 88 88 CYS H H 88 8.616 8.616 8.662 -0.046 25143 2687 1 11 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.436 0.073 25143 2688 1 11 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.343 -0.628 25143 2689 1 11 . 1 1 89 89 PRO CB C 89 31.717 31.717 32.313 -0.596 25143 2690 1 11 . 1 1 90 90 ILE N N 90 123.484 123.484 118.463 5.021 25143 2691 1 11 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.771 0.012 25143 2692 1 11 . 1 1 90 90 ILE CA C 90 62.878 62.878 64.410 -1.532 25143 2693 1 11 . 1 1 90 90 ILE CB C 90 37.483 37.483 37.552 -0.069 25143 2694 1 11 . 1 1 90 90 ILE H H 90 8.908 8.908 8.191 0.717 25143 2695 1 11 . 1 1 91 91 CYS N N 91 120.890 120.890 115.498 5.392 25143 2696 1 11 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.121 0.396 25143 2697 1 11 . 1 1 91 91 CYS CA C 91 60.891 60.891 58.496 2.395 25143 2698 1 11 . 1 1 91 91 CYS CB C 91 31.244 31.244 28.238 3.006 25143 2699 1 11 . 1 1 91 91 CYS H H 91 8.587 8.587 7.535 1.052 25143 2700 1 11 . 1 1 92 92 GLN N N 92 116.563 116.563 120.321 -3.758 25143 2701 1 11 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.255 -0.123 25143 2702 1 11 . 1 1 92 92 GLN CA C 92 56.824 56.824 56.603 0.221 25143 2703 1 11 . 1 1 92 92 GLN CB C 92 27.216 27.216 29.701 -2.485 25143 2704 1 11 . 1 1 92 92 GLN H H 92 7.787 7.787 7.446 0.341 25143 2705 1 11 . 1 1 93 93 ALA N N 93 125.273 125.273 123.524 1.749 25143 2706 1 11 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.673 -0.112 25143 2707 1 11 . 1 1 93 93 ALA CA C 93 50.862 50.862 49.810 1.052 25143 2708 1 11 . 1 1 93 93 ALA CB C 93 18.415 18.415 19.033 -0.618 25143 2709 1 11 . 1 1 93 93 ALA H H 93 8.031 8.031 8.028 0.003 25143 2710 1 11 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.565 -0.027 25143 2711 1 11 . 1 1 94 94 PRO CA C 94 62.513 62.513 63.128 -0.615 25143 2712 1 11 . 1 1 94 94 PRO CB C 94 31.684 31.684 31.437 0.247 25143 2713 1 11 . 1 1 95 95 TRP N N 95 121.986 121.986 127.294 -5.308 25143 2714 1 11 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.946 0.096 25143 2715 1 11 . 1 1 95 95 TRP CA C 95 54.005 54.005 55.391 -1.386 25143 2716 1 11 . 1 1 95 95 TRP CB C 95 28.846 28.846 29.306 -0.460 25143 2717 1 11 . 1 1 95 95 TRP H H 95 8.012 8.012 8.461 -0.449 25143 2718 1 11 . 1 1 96 96 PRO CA C 96 62.690 62.690 63.885 -1.195 25143 2719 1 11 . 1 1 96 96 PRO CB C 96 31.770 31.770 31.977 -0.207 25143 2720 1 11 . 1 1 97 97 LEU N N 97 122.075 122.075 118.964 3.111 25143 2721 1 11 . 1 1 97 97 LEU HA H 97 4.299 4.299 3.930 0.369 25143 2722 1 11 . 1 1 97 97 LEU CA C 97 55.206 55.206 55.401 -0.195 25143 2723 1 11 . 1 1 97 97 LEU CB C 97 42.046 42.046 41.450 0.596 25143 2724 1 11 . 1 1 97 97 LEU H H 97 8.145 8.145 7.836 0.309 25143 2725 1 11 . 1 1 98 98 GLY N N 98 110.020 110.020 106.352 3.668 25143 2726 1 11 . 1 1 98 98 GLY CA C 98 45.085 45.085 44.867 0.218 25143 2727 1 11 . 1 1 98 98 GLY H H 98 8.444 8.444 8.581 -0.137 25143 2728 1 11 . 1 1 99 99 ALA N N 99 123.511 123.511 124.091 -0.580 25143 2729 1 11 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.610 -0.311 25143 2730 1 11 . 1 1 99 99 ALA CA C 99 52.249 52.249 51.671 0.578 25143 2731 1 11 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.985 -1.048 25143 2732 1 11 . 1 1 99 99 ALA H H 99 8.176 8.176 8.463 -0.287 25143 2733 1 11 . 1 1 100 100 ASP N N 100 119.098 119.098 120.756 -1.658 25143 2734 1 11 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.735 -0.174 25143 2735 1 11 . 1 1 100 100 ASP CA C 100 53.912 53.912 53.181 0.731 25143 2736 1 11 . 1 1 100 100 ASP CB C 100 40.580 40.580 40.741 -0.161 25143 2737 1 11 . 1 1 100 100 ASP H H 100 8.383 8.383 8.315 0.068 25143 2738 1 11 . 1 1 101 101 THR N N 101 116.696 116.696 117.694 -0.998 25143 2739 1 11 . 1 1 101 101 THR HA H 101 4.517 4.517 4.356 0.161 25143 2740 1 11 . 1 1 101 101 THR CA C 101 59.551 59.551 60.816 -1.265 25143 2741 1 11 . 1 1 101 101 THR CB C 101 69.589 69.589 68.659 0.930 25143 2742 1 11 . 1 1 101 101 THR H H 101 8.017 8.017 8.096 -0.079 25143 2743 1 11 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.349 -0.013 25143 2744 1 11 . 1 1 102 102 PRO CA C 102 62.884 62.884 64.161 -1.277 25143 2745 1 11 . 1 1 102 102 PRO CB C 102 31.767 31.767 31.911 -0.144 25143 2746 1 11 . 1 1 103 103 ALA N N 103 125.184 125.184 122.347 2.837 25143 2747 1 11 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.466 -0.181 25143 2748 1 11 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.341 0.676 25143 2749 1 11 . 1 1 103 103 ALA CB C 103 18.974 18.974 17.919 1.055 25143 2750 1 11 . 1 1 103 103 ALA H H 103 8.333 8.333 7.688 0.645 25143 2751 1 12 . 1 1 50 50 GLU N N 50 120.583 120.583 120.544 0.039 25143 2752 1 12 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.963 -0.795 25143 2753 1 12 . 1 1 50 50 GLU CA C 50 56.824 56.824 55.547 1.277 25143 2754 1 12 . 1 1 50 50 GLU CB C 50 29.718 29.718 32.476 -2.758 25143 2755 1 12 . 1 1 50 50 GLU H H 50 8.300 8.300 8.575 -0.275 25143 2756 1 12 . 1 1 51 51 GLU N N 51 121.142 121.142 122.731 -1.589 25143 2757 1 12 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.437 -0.313 25143 2758 1 12 . 1 1 51 51 GLU CA C 51 56.362 56.362 56.277 0.085 25143 2759 1 12 . 1 1 51 51 GLU CB C 51 29.727 29.727 31.049 -1.323 25143 2760 1 12 . 1 1 51 51 GLU H H 51 8.140 8.140 8.452 -0.312 25143 2761 1 12 . 1 1 52 52 PHE N N 52 120.500 120.500 122.625 -2.125 25143 2762 1 12 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.454 0.061 25143 2763 1 12 . 1 1 52 52 PHE CA C 52 57.409 57.409 58.981 -1.572 25143 2764 1 12 . 1 1 52 52 PHE CB C 52 39.326 39.326 39.543 -0.217 25143 2765 1 12 . 1 1 52 52 PHE H H 52 8.106 8.106 8.326 -0.220 25143 2766 1 12 . 1 1 53 53 GLN N N 53 121.616 121.616 118.433 3.183 25143 2767 1 12 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.017 0.195 25143 2768 1 12 . 1 1 53 53 GLN CA C 53 55.345 55.345 56.457 -1.112 25143 2769 1 12 . 1 1 53 53 GLN CB C 53 29.357 29.357 28.667 0.690 25143 2770 1 12 . 1 1 53 53 GLN H H 53 8.047 8.047 8.122 -0.075 25143 2771 1 12 . 1 1 54 54 PHE N N 54 120.217 120.217 120.370 -0.153 25143 2772 1 12 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.691 -0.043 25143 2773 1 12 . 1 1 54 54 PHE CA C 54 56.824 56.824 57.504 -0.680 25143 2774 1 12 . 1 1 54 54 PHE CB C 54 39.522 39.522 40.157 -0.635 25143 2775 1 12 . 1 1 54 54 PHE H H 54 7.956 7.956 8.366 -0.410 25143 2776 1 12 . 1 1 55 55 LEU N N 55 123.391 123.391 127.510 -4.119 25143 2777 1 12 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.639 -0.253 25143 2778 1 12 . 1 1 55 55 LEU CA C 55 54.421 54.421 54.513 -0.092 25143 2779 1 12 . 1 1 55 55 LEU CB C 55 43.024 43.024 42.555 0.469 25143 2780 1 12 . 1 1 55 55 LEU H H 55 8.567 8.567 8.506 0.061 25143 2781 1 12 . 1 1 56 56 ARG N N 56 120.442 120.442 124.312 -3.870 25143 2782 1 12 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.623 -0.054 25143 2783 1 12 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.106 0.447 25143 2784 1 12 . 1 1 56 56 ARG CB C 56 31.817 31.817 32.757 -0.940 25143 2785 1 12 . 1 1 56 56 ARG H H 56 8.101 8.101 8.299 -0.198 25143 2786 1 12 . 1 1 57 57 CYS N N 57 123.891 123.891 119.777 4.114 25143 2787 1 12 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.431 -0.478 25143 2788 1 12 . 1 1 57 57 CYS CA C 57 59.135 59.135 58.688 0.447 25143 2789 1 12 . 1 1 57 57 CYS CB C 57 31.290 31.290 29.622 1.669 25143 2790 1 12 . 1 1 57 57 CYS H H 57 8.828 8.828 8.263 0.565 25143 2791 1 12 . 1 1 58 58 GLN N N 58 128.172 128.172 129.008 -0.836 25143 2792 1 12 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.195 -0.074 25143 2793 1 12 . 1 1 58 58 GLN CA C 58 58.528 58.528 58.739 -0.211 25143 2794 1 12 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.879 1.071 25143 2795 1 12 . 1 1 58 58 GLN H H 58 9.222 9.222 8.630 0.592 25143 2796 1 12 . 1 1 59 59 GLN N N 59 121.709 121.709 117.428 4.281 25143 2797 1 12 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.286 0.303 25143 2798 1 12 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.795 -0.187 25143 2799 1 12 . 1 1 59 59 GLN CB C 59 29.717 29.717 28.966 0.751 25143 2800 1 12 . 1 1 59 59 GLN H H 59 9.200 9.200 8.421 0.779 25143 2801 1 12 . 1 1 60 60 CYS N N 60 119.482 119.482 116.258 3.224 25143 2802 1 12 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.700 0.094 25143 2803 1 12 . 1 1 60 60 CYS CA C 60 59.458 59.458 58.806 0.652 25143 2804 1 12 . 1 1 60 60 CYS CB C 60 32.179 32.179 30.214 1.965 25143 2805 1 12 . 1 1 60 60 CYS H H 60 8.566 8.566 7.472 1.094 25143 2806 1 12 . 1 1 61 61 GLN N N 61 115.153 115.153 118.062 -2.909 25143 2807 1 12 . 1 1 61 61 GLN HA H 61 4.153 4.153 4.017 0.136 25143 2808 1 12 . 1 1 61 61 GLN CA C 61 57.979 57.979 57.005 0.974 25143 2809 1 12 . 1 1 61 61 GLN CB C 61 25.342 25.342 26.841 -1.499 25143 2810 1 12 . 1 1 61 61 GLN H H 61 7.672 7.672 8.297 -0.625 25143 2811 1 12 . 1 1 62 62 ALA N N 62 124.669 124.669 119.188 5.481 25143 2812 1 12 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.603 -0.166 25143 2813 1 12 . 1 1 62 62 ALA CA C 62 52.064 52.064 50.677 1.387 25143 2814 1 12 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.346 -0.524 25143 2815 1 12 . 1 1 62 62 ALA H H 62 8.728 8.728 7.351 1.377 25143 2816 1 12 . 1 1 63 63 GLU N N 63 119.649 119.649 120.060 -0.411 25143 2817 1 12 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.124 -0.087 25143 2818 1 12 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.225 0.107 25143 2819 1 12 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.535 -0.273 25143 2820 1 12 . 1 1 63 63 GLU H H 63 8.523 8.523 8.584 -0.061 25143 2821 1 12 . 1 1 64 64 ALA N N 64 128.762 128.762 127.742 1.020 25143 2822 1 12 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.421 -0.035 25143 2823 1 12 . 1 1 64 64 ALA CA C 64 50.354 50.354 51.754 -1.400 25143 2824 1 12 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.114 -0.779 25143 2825 1 12 . 1 1 64 64 ALA H H 64 8.581 8.581 8.256 0.325 25143 2826 1 12 . 1 1 65 65 LYS N N 65 122.223 122.223 123.272 -1.049 25143 2827 1 12 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.078 0.003 25143 2828 1 12 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.296 -1.241 25143 2829 1 12 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.583 -0.277 25143 2830 1 12 . 1 1 65 65 LYS H H 65 8.175 8.175 8.530 -0.355 25143 2831 1 12 . 1 1 66 66 CYS N N 66 117.296 117.296 119.369 -2.073 25143 2832 1 12 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.825 -0.133 25143 2833 1 12 . 1 1 66 66 CYS CA C 66 53.727 53.727 54.911 -1.184 25143 2834 1 12 . 1 1 66 66 CYS H H 66 8.790 8.790 7.763 1.027 25143 2835 1 12 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.759 -0.362 25143 2836 1 12 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.685 0.144 25143 2837 1 12 . 1 1 67 67 PRO CB C 67 31.785 31.785 31.505 0.280 25143 2838 1 12 . 1 1 68 68 LYS N N 68 121.724 121.724 125.469 -3.745 25143 2839 1 12 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.615 -0.330 25143 2840 1 12 . 1 1 68 68 LYS CA C 68 54.929 54.929 53.916 1.012 25143 2841 1 12 . 1 1 68 68 LYS CB C 68 33.327 33.327 35.219 -1.892 25143 2842 1 12 . 1 1 68 68 LYS H H 68 8.662 8.662 8.870 -0.208 25143 2843 1 12 . 1 1 69 69 LEU N N 69 125.851 125.851 124.029 1.822 25143 2844 1 12 . 1 1 69 69 LEU HA H 69 4.474 4.474 4.898 -0.424 25143 2845 1 12 . 1 1 69 69 LEU CA C 69 54.454 54.454 54.748 -0.295 25143 2846 1 12 . 1 1 69 69 LEU CB C 69 41.720 41.720 42.935 -1.215 25143 2847 1 12 . 1 1 69 69 LEU H H 69 8.320 8.320 8.528 -0.208 25143 2848 1 12 . 1 1 70 70 LEU N N 70 128.488 128.488 124.902 3.586 25143 2849 1 12 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.907 -0.259 25143 2850 1 12 . 1 1 70 70 LEU CA C 70 53.127 53.127 52.614 0.513 25143 2851 1 12 . 1 1 70 70 LEU CB C 70 42.832 42.832 43.413 -0.581 25143 2852 1 12 . 1 1 70 70 LEU H H 70 8.677 8.677 8.184 0.493 25143 2853 1 12 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.473 -0.197 25143 2854 1 12 . 1 1 71 71 PRO CA C 71 64.790 64.790 65.156 -0.366 25143 2855 1 12 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.896 -0.436 25143 2856 1 12 . 1 1 72 72 CYS N N 72 112.135 112.135 117.898 -5.763 25143 2857 1 12 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.618 -0.344 25143 2858 1 12 . 1 1 72 72 CYS CA C 72 57.194 57.194 57.830 -0.636 25143 2859 1 12 . 1 1 72 72 CYS CB C 72 31.085 31.085 27.787 3.298 25143 2860 1 12 . 1 1 72 72 CYS H H 72 7.204 7.204 7.703 -0.499 25143 2861 1 12 . 1 1 73 73 LEU N N 73 114.341 114.341 119.935 -5.594 25143 2862 1 12 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.972 -0.104 25143 2863 1 12 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.761 0.739 25143 2864 1 12 . 1 1 73 73 LEU CB C 73 37.671 37.671 38.898 -1.226 25143 2865 1 12 . 1 1 73 73 LEU H H 73 8.043 8.043 7.426 0.617 25143 2866 1 12 . 1 1 74 74 HIS N N 74 120.386 120.386 117.257 3.129 25143 2867 1 12 . 1 1 74 74 HIS HA H 74 4.990 4.990 4.850 0.140 25143 2868 1 12 . 1 1 74 74 HIS CA C 74 58.672 58.672 55.057 3.615 25143 2869 1 12 . 1 1 74 74 HIS CB C 74 31.354 31.354 33.373 -2.019 25143 2870 1 12 . 1 1 74 74 HIS H H 74 7.831 7.831 7.736 0.095 25143 2871 1 12 . 1 1 75 75 THR N N 75 118.963 118.963 119.049 -0.086 25143 2872 1 12 . 1 1 75 75 THR HA H 75 4.730 4.730 4.516 0.214 25143 2873 1 12 . 1 1 75 75 THR CA C 75 62.185 62.185 63.345 -1.160 25143 2874 1 12 . 1 1 75 75 THR CB C 75 69.640 69.640 69.313 0.327 25143 2875 1 12 . 1 1 75 75 THR H H 75 8.889 8.889 8.666 0.223 25143 2876 1 12 . 1 1 76 76 LEU N N 76 128.330 128.330 126.944 1.386 25143 2877 1 12 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.890 1.043 25143 2878 1 12 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.900 -2.391 25143 2879 1 12 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.654 -1.460 25143 2880 1 12 . 1 1 76 76 LEU H H 76 8.767 8.767 8.547 0.220 25143 2881 1 12 . 1 1 77 77 CYS N N 77 119.360 119.360 116.225 3.135 25143 2882 1 12 . 1 1 77 77 CYS HA H 77 4.732 4.732 5.601 -0.869 25143 2883 1 12 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.312 0.558 25143 2884 1 12 . 1 1 77 77 CYS CB C 77 31.698 31.698 31.418 0.280 25143 2885 1 12 . 1 1 77 77 CYS H H 77 9.510 9.510 8.346 1.164 25143 2886 1 12 . 1 1 78 78 SER N N 78 114.841 114.841 118.229 -3.388 25143 2887 1 12 . 1 1 78 78 SER HA H 78 4.037 4.037 4.108 -0.071 25143 2888 1 12 . 1 1 78 78 SER CA C 78 61.756 61.756 61.759 -0.003 25143 2889 1 12 . 1 1 78 78 SER CB C 78 62.254 62.254 62.934 -0.680 25143 2890 1 12 . 1 1 78 78 SER H H 78 8.593 8.593 8.435 0.158 25143 2891 1 12 . 1 1 79 79 GLY N N 79 111.904 111.904 109.194 2.710 25143 2892 1 12 . 1 1 79 79 GLY CA C 79 46.777 46.777 47.236 -0.459 25143 2893 1 12 . 1 1 79 79 GLY H H 79 8.391 8.391 8.747 -0.356 25143 2894 1 12 . 1 1 80 80 CYS N N 80 126.807 126.807 120.792 6.015 25143 2895 1 12 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.261 -0.307 25143 2896 1 12 . 1 1 80 80 CYS CA C 80 65.189 65.189 61.627 3.562 25143 2897 1 12 . 1 1 80 80 CYS CB C 80 28.846 28.846 26.559 2.287 25143 2898 1 12 . 1 1 80 80 CYS H H 80 9.039 9.039 7.450 1.589 25143 2899 1 12 . 1 1 81 81 LEU N N 81 120.440 120.440 123.206 -2.766 25143 2900 1 12 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.154 -0.022 25143 2901 1 12 . 1 1 81 81 LEU CA C 81 57.443 57.443 58.335 -0.892 25143 2902 1 12 . 1 1 81 81 LEU CB C 81 41.782 41.782 42.179 -0.397 25143 2903 1 12 . 1 1 81 81 LEU H H 81 8.109 8.109 8.073 0.036 25143 2904 1 12 . 1 1 82 82 GLU N N 82 120.149 120.149 117.499 2.650 25143 2905 1 12 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.042 -0.005 25143 2906 1 12 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.432 -0.113 25143 2907 1 12 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.449 -0.522 25143 2908 1 12 . 1 1 82 82 GLU H H 82 8.432 8.432 8.349 0.083 25143 2909 1 12 . 1 1 83 83 ALA N N 83 120.334 120.334 121.279 -0.945 25143 2910 1 12 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.363 -0.064 25143 2911 1 12 . 1 1 83 83 ALA CA C 83 53.543 53.543 54.203 -0.660 25143 2912 1 12 . 1 1 83 83 ALA CB C 83 18.334 18.334 19.444 -1.110 25143 2913 1 12 . 1 1 83 83 ALA H H 83 7.715 7.715 7.462 0.253 25143 2914 1 12 . 1 1 84 84 SER N N 84 112.368 112.368 113.246 -0.878 25143 2915 1 12 . 1 1 84 84 SER HA H 84 4.494 4.494 4.750 -0.256 25143 2916 1 12 . 1 1 84 84 SER CA C 84 58.210 58.210 58.040 0.170 25143 2917 1 12 . 1 1 84 84 SER CB C 84 63.837 63.837 63.600 0.237 25143 2918 1 12 . 1 1 84 84 SER H H 84 7.570 7.570 8.582 -1.012 25143 2919 1 12 . 1 1 85 85 GLY N N 85 110.612 110.612 110.547 0.065 25143 2920 1 12 . 1 1 85 85 GLY CA C 85 46.841 46.841 45.430 1.411 25143 2921 1 12 . 1 1 85 85 GLY H H 85 7.955 7.955 7.778 0.177 25143 2922 1 12 . 1 1 86 86 MET N N 86 113.856 113.856 121.608 -7.752 25143 2923 1 12 . 1 1 86 86 MET HA H 86 3.804 3.804 4.473 -0.669 25143 2924 1 12 . 1 1 86 86 MET CA C 86 55.160 55.160 55.099 0.061 25143 2925 1 12 . 1 1 86 86 MET CB C 86 28.494 28.494 32.365 -3.871 25143 2926 1 12 . 1 1 86 86 MET H H 86 8.489 8.489 8.326 0.163 25143 2927 1 12 . 1 1 87 87 GLN N N 87 116.394 116.394 119.655 -3.261 25143 2928 1 12 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.422 0.027 25143 2929 1 12 . 1 1 87 87 GLN CA C 87 53.404 53.404 55.409 -2.005 25143 2930 1 12 . 1 1 87 87 GLN CB C 87 30.964 30.964 30.826 0.138 25143 2931 1 12 . 1 1 87 87 GLN H H 87 7.188 7.188 7.509 -0.321 25143 2932 1 12 . 1 1 88 88 CYS N N 88 124.484 124.484 120.660 3.824 25143 2933 1 12 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.767 -0.467 25143 2934 1 12 . 1 1 88 88 CYS CA C 88 57.101 57.101 54.756 2.345 25143 2935 1 12 . 1 1 88 88 CYS CB C 88 31.117 31.117 27.686 3.431 25143 2936 1 12 . 1 1 88 88 CYS H H 88 8.616 8.616 8.545 0.071 25143 2937 1 12 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.506 0.003 25143 2938 1 12 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.366 -0.651 25143 2939 1 12 . 1 1 89 89 PRO CB C 89 31.717 31.717 32.440 -0.723 25143 2940 1 12 . 1 1 90 90 ILE N N 90 123.484 123.484 118.460 5.024 25143 2941 1 12 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.757 0.026 25143 2942 1 12 . 1 1 90 90 ILE CA C 90 62.878 62.878 64.203 -1.325 25143 2943 1 12 . 1 1 90 90 ILE CB C 90 37.483 37.483 37.783 -0.300 25143 2944 1 12 . 1 1 90 90 ILE H H 90 8.908 8.908 8.089 0.819 25143 2945 1 12 . 1 1 91 91 CYS N N 91 120.890 120.890 113.776 7.114 25143 2946 1 12 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.411 0.106 25143 2947 1 12 . 1 1 91 91 CYS CA C 91 60.891 60.891 58.300 2.591 25143 2948 1 12 . 1 1 91 91 CYS CB C 91 31.244 31.244 29.154 2.090 25143 2949 1 12 . 1 1 91 91 CYS H H 91 8.587 8.587 7.689 0.898 25143 2950 1 12 . 1 1 92 92 GLN N N 92 116.563 116.563 119.928 -3.365 25143 2951 1 12 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.277 -0.145 25143 2952 1 12 . 1 1 92 92 GLN CA C 92 56.824 56.824 56.697 0.128 25143 2953 1 12 . 1 1 92 92 GLN CB C 92 27.216 27.216 29.401 -2.185 25143 2954 1 12 . 1 1 92 92 GLN H H 92 7.787 7.787 7.594 0.193 25143 2955 1 12 . 1 1 93 93 ALA N N 93 125.273 125.273 123.814 1.459 25143 2956 1 12 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.434 0.127 25143 2957 1 12 . 1 1 93 93 ALA CA C 93 50.862 50.862 50.644 0.218 25143 2958 1 12 . 1 1 93 93 ALA CB C 93 18.415 18.415 18.804 -0.389 25143 2959 1 12 . 1 1 93 93 ALA H H 93 8.031 8.031 7.918 0.113 25143 2960 1 12 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.479 0.059 25143 2961 1 12 . 1 1 94 94 PRO CA C 94 62.513 62.513 63.085 -0.572 25143 2962 1 12 . 1 1 94 94 PRO CB C 94 31.684 31.684 30.890 0.794 25143 2963 1 12 . 1 1 95 95 TRP N N 95 121.986 121.986 127.071 -5.085 25143 2964 1 12 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.874 0.168 25143 2965 1 12 . 1 1 95 95 TRP CA C 95 54.005 54.005 54.949 -0.944 25143 2966 1 12 . 1 1 95 95 TRP CB C 95 28.846 28.846 30.344 -1.498 25143 2967 1 12 . 1 1 95 95 TRP H H 95 8.012 8.012 8.080 -0.068 25143 2968 1 12 . 1 1 96 96 PRO CA C 96 62.690 62.690 62.703 -0.013 25143 2969 1 12 . 1 1 96 96 PRO CB C 96 31.770 31.770 32.291 -0.521 25143 2970 1 12 . 1 1 97 97 LEU N N 97 122.075 122.075 118.856 3.219 25143 2971 1 12 . 1 1 97 97 LEU HA H 97 4.299 4.299 4.816 -0.517 25143 2972 1 12 . 1 1 97 97 LEU CA C 97 55.206 55.206 55.138 0.068 25143 2973 1 12 . 1 1 97 97 LEU CB C 97 42.046 42.046 42.765 -0.719 25143 2974 1 12 . 1 1 97 97 LEU H H 97 8.145 8.145 8.159 -0.014 25143 2975 1 12 . 1 1 98 98 GLY N N 98 110.020 110.020 106.670 3.350 25143 2976 1 12 . 1 1 98 98 GLY CA C 98 45.085 45.085 44.277 0.808 25143 2977 1 12 . 1 1 98 98 GLY H H 98 8.444 8.444 8.515 -0.071 25143 2978 1 12 . 1 1 99 99 ALA N N 99 123.511 123.511 123.748 -0.237 25143 2979 1 12 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.049 0.250 25143 2980 1 12 . 1 1 99 99 ALA CA C 99 52.249 52.249 52.464 -0.215 25143 2981 1 12 . 1 1 99 99 ALA CB C 99 18.936 18.936 17.964 0.972 25143 2982 1 12 . 1 1 99 99 ALA H H 99 8.176 8.176 8.325 -0.149 25143 2983 1 12 . 1 1 100 100 ASP N N 100 119.098 119.098 119.454 -0.356 25143 2984 1 12 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.681 -0.120 25143 2985 1 12 . 1 1 100 100 ASP CA C 100 53.912 53.912 55.168 -1.256 25143 2986 1 12 . 1 1 100 100 ASP CB C 100 40.580 40.580 41.417 -0.837 25143 2987 1 12 . 1 1 100 100 ASP H H 100 8.383 8.383 8.265 0.118 25143 2988 1 12 . 1 1 101 101 THR N N 101 116.696 116.696 117.165 -0.469 25143 2989 1 12 . 1 1 101 101 THR HA H 101 4.517 4.517 4.660 -0.143 25143 2990 1 12 . 1 1 101 101 THR CA C 101 59.551 59.551 60.635 -1.084 25143 2991 1 12 . 1 1 101 101 THR CB C 101 69.589 69.589 68.716 0.873 25143 2992 1 12 . 1 1 101 101 THR H H 101 8.017 8.017 8.273 -0.256 25143 2993 1 12 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.436 -0.100 25143 2994 1 12 . 1 1 102 102 PRO CA C 102 62.884 62.884 63.661 -0.777 25143 2995 1 12 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.042 -0.275 25143 2996 1 12 . 1 1 103 103 ALA N N 103 125.184 125.184 120.615 4.569 25143 2997 1 12 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.839 -0.554 25143 2998 1 12 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.674 0.343 25143 2999 1 12 . 1 1 103 103 ALA CB C 103 18.974 18.974 20.595 -1.621 25143 3000 1 12 . 1 1 103 103 ALA H H 103 8.333 8.333 7.872 0.461 25143 3001 1 13 . 1 1 50 50 GLU N N 50 120.583 120.583 122.066 -1.483 25143 3002 1 13 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.590 -0.422 25143 3003 1 13 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.579 0.245 25143 3004 1 13 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.662 -0.944 25143 3005 1 13 . 1 1 50 50 GLU H H 50 8.300 8.300 8.499 -0.199 25143 3006 1 13 . 1 1 51 51 GLU N N 51 121.142 121.142 124.324 -3.182 25143 3007 1 13 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.269 -0.145 25143 3008 1 13 . 1 1 51 51 GLU CA C 51 56.362 56.362 56.682 -0.320 25143 3009 1 13 . 1 1 51 51 GLU CB C 51 29.727 29.727 29.961 -0.234 25143 3010 1 13 . 1 1 51 51 GLU H H 51 8.140 8.140 8.641 -0.501 25143 3011 1 13 . 1 1 52 52 PHE N N 52 120.500 120.500 127.741 -7.241 25143 3012 1 13 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.546 -0.031 25143 3013 1 13 . 1 1 52 52 PHE CA C 52 57.409 57.409 58.099 -0.690 25143 3014 1 13 . 1 1 52 52 PHE CB C 52 39.326 39.326 38.644 0.682 25143 3015 1 13 . 1 1 52 52 PHE H H 52 8.106 8.106 8.729 -0.623 25143 3016 1 13 . 1 1 53 53 GLN N N 53 121.616 121.616 125.219 -3.603 25143 3017 1 13 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.593 -0.381 25143 3018 1 13 . 1 1 53 53 GLN CA C 53 55.345 55.345 55.059 0.286 25143 3019 1 13 . 1 1 53 53 GLN CB C 53 29.357 29.357 30.612 -1.255 25143 3020 1 13 . 1 1 53 53 GLN H H 53 8.047 8.047 7.710 0.337 25143 3021 1 13 . 1 1 54 54 PHE N N 54 120.217 120.217 120.541 -0.324 25143 3022 1 13 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.778 -0.130 25143 3023 1 13 . 1 1 54 54 PHE CA C 54 56.824 56.824 57.428 -0.604 25143 3024 1 13 . 1 1 54 54 PHE CB C 54 39.522 39.522 40.473 -0.951 25143 3025 1 13 . 1 1 54 54 PHE H H 54 7.956 7.956 8.511 -0.555 25143 3026 1 13 . 1 1 55 55 LEU N N 55 123.391 123.391 124.667 -1.276 25143 3027 1 13 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.444 -0.058 25143 3028 1 13 . 1 1 55 55 LEU CA C 55 54.421 54.421 54.191 0.230 25143 3029 1 13 . 1 1 55 55 LEU CB C 55 43.024 43.024 45.171 -2.147 25143 3030 1 13 . 1 1 55 55 LEU H H 55 8.567 8.567 7.782 0.785 25143 3031 1 13 . 1 1 56 56 ARG N N 56 120.442 120.442 121.990 -1.548 25143 3032 1 13 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.294 0.275 25143 3033 1 13 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.932 -0.379 25143 3034 1 13 . 1 1 56 56 ARG CB C 56 31.817 31.817 32.801 -0.984 25143 3035 1 13 . 1 1 56 56 ARG H H 56 8.101 8.101 8.048 0.053 25143 3036 1 13 . 1 1 57 57 CYS N N 57 123.891 123.891 122.748 1.143 25143 3037 1 13 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.324 -0.371 25143 3038 1 13 . 1 1 57 57 CYS CA C 57 59.135 59.135 58.898 0.237 25143 3039 1 13 . 1 1 57 57 CYS CB C 57 31.290 31.290 29.637 1.653 25143 3040 1 13 . 1 1 57 57 CYS H H 57 8.828 8.828 8.384 0.444 25143 3041 1 13 . 1 1 58 58 GLN N N 58 128.172 128.172 127.651 0.521 25143 3042 1 13 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.014 0.107 25143 3043 1 13 . 1 1 58 58 GLN CA C 58 58.528 58.528 58.133 0.395 25143 3044 1 13 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.549 1.401 25143 3045 1 13 . 1 1 58 58 GLN H H 58 9.222 9.222 8.405 0.817 25143 3046 1 13 . 1 1 59 59 GLN N N 59 121.709 121.709 117.598 4.111 25143 3047 1 13 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.290 0.299 25143 3048 1 13 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.545 0.064 25143 3049 1 13 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.091 0.626 25143 3050 1 13 . 1 1 59 59 GLN H H 59 9.200 9.200 8.148 1.052 25143 3051 1 13 . 1 1 60 60 CYS N N 60 119.482 119.482 117.493 1.989 25143 3052 1 13 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.637 0.157 25143 3053 1 13 . 1 1 60 60 CYS CA C 60 59.458 59.458 58.789 0.669 25143 3054 1 13 . 1 1 60 60 CYS CB C 60 32.179 32.179 29.660 2.519 25143 3055 1 13 . 1 1 60 60 CYS H H 60 8.566 8.566 7.407 1.159 25143 3056 1 13 . 1 1 61 61 GLN N N 61 115.153 115.153 115.936 -0.783 25143 3057 1 13 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.904 0.249 25143 3058 1 13 . 1 1 61 61 GLN CA C 61 57.979 57.979 57.192 0.787 25143 3059 1 13 . 1 1 61 61 GLN CB C 61 25.342 25.342 26.640 -1.298 25143 3060 1 13 . 1 1 61 61 GLN H H 61 7.672 7.672 8.477 -0.805 25143 3061 1 13 . 1 1 62 62 ALA N N 62 124.669 124.669 118.351 6.318 25143 3062 1 13 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.662 -0.225 25143 3063 1 13 . 1 1 62 62 ALA CA C 62 52.064 52.064 51.049 1.015 25143 3064 1 13 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.478 -0.656 25143 3065 1 13 . 1 1 62 62 ALA H H 62 8.728 8.728 7.527 1.201 25143 3066 1 13 . 1 1 63 63 GLU N N 63 119.649 119.649 118.658 0.991 25143 3067 1 13 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.078 -0.041 25143 3068 1 13 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.684 -0.352 25143 3069 1 13 . 1 1 63 63 GLU CB C 63 29.262 29.262 30.064 -0.802 25143 3070 1 13 . 1 1 63 63 GLU H H 63 8.523 8.523 8.530 -0.007 25143 3071 1 13 . 1 1 64 64 ALA N N 64 128.762 128.762 127.156 1.606 25143 3072 1 13 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.421 -0.035 25143 3073 1 13 . 1 1 64 64 ALA CA C 64 50.354 50.354 51.436 -1.082 25143 3074 1 13 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.441 -1.106 25143 3075 1 13 . 1 1 64 64 ALA H H 64 8.581 8.581 8.659 -0.078 25143 3076 1 13 . 1 1 65 65 LYS N N 65 122.223 122.223 121.793 0.430 25143 3077 1 13 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.054 0.027 25143 3078 1 13 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.152 -1.097 25143 3079 1 13 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.751 -0.445 25143 3080 1 13 . 1 1 65 65 LYS H H 65 8.175 8.175 8.657 -0.482 25143 3081 1 13 . 1 1 66 66 CYS N N 66 117.296 117.296 115.724 1.572 25143 3082 1 13 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.656 0.036 25143 3083 1 13 . 1 1 66 66 CYS CA C 66 53.727 53.727 56.051 -2.324 25143 3084 1 13 . 1 1 66 66 CYS H H 66 8.790 8.790 7.827 0.963 25143 3085 1 13 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.425 -0.028 25143 3086 1 13 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.942 -0.113 25143 3087 1 13 . 1 1 67 67 PRO CB C 67 31.785 31.785 30.604 1.181 25143 3088 1 13 . 1 1 68 68 LYS N N 68 121.724 121.724 124.463 -2.739 25143 3089 1 13 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.588 -0.303 25143 3090 1 13 . 1 1 68 68 LYS CA C 68 54.929 54.929 54.849 0.080 25143 3091 1 13 . 1 1 68 68 LYS CB C 68 33.327 33.327 32.848 0.479 25143 3092 1 13 . 1 1 68 68 LYS H H 68 8.662 8.662 8.145 0.517 25143 3093 1 13 . 1 1 69 69 LEU N N 69 125.851 125.851 125.444 0.407 25143 3094 1 13 . 1 1 69 69 LEU HA H 69 4.474 4.474 5.043 -0.569 25143 3095 1 13 . 1 1 69 69 LEU CA C 69 54.454 54.454 53.860 0.594 25143 3096 1 13 . 1 1 69 69 LEU CB C 69 41.720 41.720 44.025 -2.305 25143 3097 1 13 . 1 1 69 69 LEU H H 69 8.320 8.320 8.320 -0.000 25143 3098 1 13 . 1 1 70 70 LEU N N 70 128.488 128.488 122.368 6.120 25143 3099 1 13 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.947 -0.299 25143 3100 1 13 . 1 1 70 70 LEU CA C 70 53.127 53.127 51.705 1.422 25143 3101 1 13 . 1 1 70 70 LEU CB C 70 42.832 42.832 43.152 -0.320 25143 3102 1 13 . 1 1 70 70 LEU H H 70 8.677 8.677 8.209 0.468 25143 3103 1 13 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.436 -0.160 25143 3104 1 13 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.841 -0.051 25143 3105 1 13 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.938 -0.478 25143 3106 1 13 . 1 1 72 72 CYS N N 72 112.135 112.135 118.301 -6.166 25143 3107 1 13 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.433 -0.159 25143 3108 1 13 . 1 1 72 72 CYS CA C 72 57.194 57.194 57.459 -0.265 25143 3109 1 13 . 1 1 72 72 CYS CB C 72 31.085 31.085 26.972 4.113 25143 3110 1 13 . 1 1 72 72 CYS H H 72 7.204 7.204 7.681 -0.477 25143 3111 1 13 . 1 1 73 73 LEU N N 73 114.341 114.341 121.182 -6.841 25143 3112 1 13 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.891 -0.023 25143 3113 1 13 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.850 0.650 25143 3114 1 13 . 1 1 73 73 LEU CB C 73 37.671 37.671 38.580 -0.909 25143 3115 1 13 . 1 1 73 73 LEU H H 73 8.043 8.043 7.424 0.619 25143 3116 1 13 . 1 1 74 74 HIS N N 74 120.386 120.386 117.617 2.769 25143 3117 1 13 . 1 1 74 74 HIS HA H 74 4.990 4.990 4.980 0.010 25143 3118 1 13 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.863 3.809 25143 3119 1 13 . 1 1 74 74 HIS CB C 74 31.354 31.354 34.608 -3.255 25143 3120 1 13 . 1 1 74 74 HIS H H 74 7.831 7.831 7.716 0.115 25143 3121 1 13 . 1 1 75 75 THR N N 75 118.963 118.963 118.442 0.521 25143 3122 1 13 . 1 1 75 75 THR HA H 75 4.730 4.730 4.530 0.200 25143 3123 1 13 . 1 1 75 75 THR CA C 75 62.185 62.185 62.686 -0.501 25143 3124 1 13 . 1 1 75 75 THR CB C 75 69.640 69.640 69.277 0.363 25143 3125 1 13 . 1 1 75 75 THR H H 75 8.889 8.889 8.635 0.254 25143 3126 1 13 . 1 1 76 76 LEU N N 76 128.330 128.330 127.021 1.309 25143 3127 1 13 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.914 1.019 25143 3128 1 13 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.497 -1.988 25143 3129 1 13 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.325 -1.131 25143 3130 1 13 . 1 1 76 76 LEU H H 76 8.767 8.767 8.471 0.296 25143 3131 1 13 . 1 1 77 77 CYS N N 77 119.360 119.360 116.589 2.771 25143 3132 1 13 . 1 1 77 77 CYS HA H 77 4.732 4.732 5.574 -0.842 25143 3133 1 13 . 1 1 77 77 CYS CA C 77 56.870 56.870 54.882 1.988 25143 3134 1 13 . 1 1 77 77 CYS CB C 77 31.698 31.698 30.634 1.064 25143 3135 1 13 . 1 1 77 77 CYS H H 77 9.510 9.510 8.225 1.285 25143 3136 1 13 . 1 1 78 78 SER N N 78 114.841 114.841 116.872 -2.031 25143 3137 1 13 . 1 1 78 78 SER HA H 78 4.037 4.037 4.059 -0.022 25143 3138 1 13 . 1 1 78 78 SER CA C 78 61.756 61.756 61.569 0.187 25143 3139 1 13 . 1 1 78 78 SER CB C 78 62.254 62.254 62.676 -0.422 25143 3140 1 13 . 1 1 78 78 SER H H 78 8.593 8.593 8.756 -0.163 25143 3141 1 13 . 1 1 79 79 GLY N N 79 111.904 111.904 109.657 2.247 25143 3142 1 13 . 1 1 79 79 GLY CA C 79 46.777 46.777 46.964 -0.187 25143 3143 1 13 . 1 1 79 79 GLY H H 79 8.391 8.391 8.841 -0.450 25143 3144 1 13 . 1 1 80 80 CYS N N 80 126.807 126.807 120.906 5.901 25143 3145 1 13 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.226 -0.272 25143 3146 1 13 . 1 1 80 80 CYS CA C 80 65.189 65.189 62.016 3.173 25143 3147 1 13 . 1 1 80 80 CYS CB C 80 28.846 28.846 26.472 2.374 25143 3148 1 13 . 1 1 80 80 CYS H H 80 9.039 9.039 7.447 1.592 25143 3149 1 13 . 1 1 81 81 LEU N N 81 120.440 120.440 123.369 -2.929 25143 3150 1 13 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.253 -0.121 25143 3151 1 13 . 1 1 81 81 LEU CA C 81 57.443 57.443 58.204 -0.761 25143 3152 1 13 . 1 1 81 81 LEU CB C 81 41.782 41.782 42.245 -0.463 25143 3153 1 13 . 1 1 81 81 LEU H H 81 8.109 8.109 7.881 0.228 25143 3154 1 13 . 1 1 82 82 GLU N N 82 120.149 120.149 117.371 2.778 25143 3155 1 13 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.028 0.009 25143 3156 1 13 . 1 1 82 82 GLU CA C 82 59.319 59.319 58.985 0.334 25143 3157 1 13 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.830 -0.903 25143 3158 1 13 . 1 1 82 82 GLU H H 82 8.432 8.432 8.338 0.094 25143 3159 1 13 . 1 1 83 83 ALA N N 83 120.334 120.334 121.190 -0.856 25143 3160 1 13 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.351 -0.052 25143 3161 1 13 . 1 1 83 83 ALA CA C 83 53.543 53.543 53.700 -0.157 25143 3162 1 13 . 1 1 83 83 ALA CB C 83 18.334 18.334 19.779 -1.445 25143 3163 1 13 . 1 1 83 83 ALA H H 83 7.715 7.715 7.456 0.259 25143 3164 1 13 . 1 1 84 84 SER N N 84 112.368 112.368 114.714 -2.346 25143 3165 1 13 . 1 1 84 84 SER HA H 84 4.494 4.494 4.567 -0.073 25143 3166 1 13 . 1 1 84 84 SER CA C 84 58.210 58.210 57.992 0.218 25143 3167 1 13 . 1 1 84 84 SER CB C 84 63.837 63.837 63.337 0.501 25143 3168 1 13 . 1 1 84 84 SER H H 84 7.570 7.570 8.494 -0.924 25143 3169 1 13 . 1 1 85 85 GLY N N 85 110.612 110.612 110.524 0.088 25143 3170 1 13 . 1 1 85 85 GLY CA C 85 46.841 46.841 45.586 1.255 25143 3171 1 13 . 1 1 85 85 GLY H H 85 7.955 7.955 7.903 0.052 25143 3172 1 13 . 1 1 86 86 MET N N 86 113.856 113.856 122.918 -9.062 25143 3173 1 13 . 1 1 86 86 MET HA H 86 3.804 3.804 4.533 -0.729 25143 3174 1 13 . 1 1 86 86 MET CA C 86 55.160 55.160 55.113 0.047 25143 3175 1 13 . 1 1 86 86 MET CB C 86 28.494 28.494 32.318 -3.824 25143 3176 1 13 . 1 1 86 86 MET H H 86 8.489 8.489 8.285 0.204 25143 3177 1 13 . 1 1 87 87 GLN N N 87 116.394 116.394 119.493 -3.099 25143 3178 1 13 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.529 -0.080 25143 3179 1 13 . 1 1 87 87 GLN CA C 87 53.404 53.404 54.547 -1.143 25143 3180 1 13 . 1 1 87 87 GLN CB C 87 30.964 30.964 30.982 -0.018 25143 3181 1 13 . 1 1 87 87 GLN H H 87 7.188 7.188 7.553 -0.365 25143 3182 1 13 . 1 1 88 88 CYS N N 88 124.484 124.484 118.081 6.403 25143 3183 1 13 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.920 -0.620 25143 3184 1 13 . 1 1 88 88 CYS CA C 88 57.101 57.101 55.072 2.030 25143 3185 1 13 . 1 1 88 88 CYS CB C 88 31.117 31.117 28.828 2.289 25143 3186 1 13 . 1 1 88 88 CYS H H 88 8.616 8.616 8.568 0.048 25143 3187 1 13 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.331 0.178 25143 3188 1 13 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.091 -0.376 25143 3189 1 13 . 1 1 89 89 PRO CB C 89 31.717 31.717 32.122 -0.405 25143 3190 1 13 . 1 1 90 90 ILE N N 90 123.484 123.484 116.689 6.795 25143 3191 1 13 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.770 0.013 25143 3192 1 13 . 1 1 90 90 ILE CA C 90 62.878 62.878 64.474 -1.596 25143 3193 1 13 . 1 1 90 90 ILE CB C 90 37.483 37.483 37.752 -0.269 25143 3194 1 13 . 1 1 90 90 ILE H H 90 8.908 8.908 8.062 0.846 25143 3195 1 13 . 1 1 91 91 CYS N N 91 120.890 120.890 115.012 5.878 25143 3196 1 13 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.565 -0.048 25143 3197 1 13 . 1 1 91 91 CYS CA C 91 60.891 60.891 58.458 2.433 25143 3198 1 13 . 1 1 91 91 CYS CB C 91 31.244 31.244 28.356 2.888 25143 3199 1 13 . 1 1 91 91 CYS H H 91 8.587 8.587 7.610 0.977 25143 3200 1 13 . 1 1 92 92 GLN N N 92 116.563 116.563 120.529 -3.966 25143 3201 1 13 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.162 -0.030 25143 3202 1 13 . 1 1 92 92 GLN CA C 92 56.824 56.824 57.411 -0.587 25143 3203 1 13 . 1 1 92 92 GLN CB C 92 27.216 27.216 29.160 -1.944 25143 3204 1 13 . 1 1 92 92 GLN H H 92 7.787 7.787 7.591 0.196 25143 3205 1 13 . 1 1 93 93 ALA N N 93 125.273 125.273 123.473 1.800 25143 3206 1 13 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.656 -0.095 25143 3207 1 13 . 1 1 93 93 ALA CA C 93 50.862 50.862 50.106 0.756 25143 3208 1 13 . 1 1 93 93 ALA CB C 93 18.415 18.415 18.866 -0.451 25143 3209 1 13 . 1 1 93 93 ALA H H 93 8.031 8.031 7.511 0.520 25143 3210 1 13 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.567 -0.029 25143 3211 1 13 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.798 -0.285 25143 3212 1 13 . 1 1 94 94 PRO CB C 94 31.684 31.684 32.281 -0.597 25143 3213 1 13 . 1 1 95 95 TRP N N 95 121.986 121.986 123.844 -1.858 25143 3214 1 13 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.938 0.104 25143 3215 1 13 . 1 1 95 95 TRP CA C 95 54.005 54.005 55.096 -1.091 25143 3216 1 13 . 1 1 95 95 TRP CB C 95 28.846 28.846 29.581 -0.735 25143 3217 1 13 . 1 1 95 95 TRP H H 95 8.012 8.012 8.159 -0.147 25143 3218 1 13 . 1 1 96 96 PRO CA C 96 62.690 62.690 63.119 -0.429 25143 3219 1 13 . 1 1 96 96 PRO CB C 96 31.770 31.770 31.647 0.123 25143 3220 1 13 . 1 1 97 97 LEU N N 97 122.075 122.075 126.288 -4.213 25143 3221 1 13 . 1 1 97 97 LEU HA H 97 4.299 4.299 4.576 -0.277 25143 3222 1 13 . 1 1 97 97 LEU CA C 97 55.206 55.206 53.982 1.224 25143 3223 1 13 . 1 1 97 97 LEU CB C 97 42.046 42.046 42.057 -0.011 25143 3224 1 13 . 1 1 97 97 LEU H H 97 8.145 8.145 8.391 -0.246 25143 3225 1 13 . 1 1 98 98 GLY N N 98 110.020 110.020 109.155 0.865 25143 3226 1 13 . 1 1 98 98 GLY CA C 98 45.085 45.085 46.358 -1.274 25143 3227 1 13 . 1 1 98 98 GLY H H 98 8.444 8.444 8.311 0.133 25143 3228 1 13 . 1 1 99 99 ALA N N 99 123.511 123.511 121.565 1.946 25143 3229 1 13 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.389 -0.090 25143 3230 1 13 . 1 1 99 99 ALA CA C 99 52.249 52.249 51.779 0.470 25143 3231 1 13 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.306 -0.370 25143 3232 1 13 . 1 1 99 99 ALA H H 99 8.176 8.176 8.196 -0.020 25143 3233 1 13 . 1 1 100 100 ASP N N 100 119.098 119.098 118.875 0.223 25143 3234 1 13 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.915 -0.354 25143 3235 1 13 . 1 1 100 100 ASP CA C 100 53.912 53.912 53.289 0.623 25143 3236 1 13 . 1 1 100 100 ASP CB C 100 40.580 40.580 42.070 -1.490 25143 3237 1 13 . 1 1 100 100 ASP H H 100 8.383 8.383 8.140 0.243 25143 3238 1 13 . 1 1 101 101 THR N N 101 116.696 116.696 114.882 1.814 25143 3239 1 13 . 1 1 101 101 THR HA H 101 4.517 4.517 4.717 -0.200 25143 3240 1 13 . 1 1 101 101 THR CA C 101 59.551 59.551 60.412 -0.861 25143 3241 1 13 . 1 1 101 101 THR CB C 101 69.589 69.589 68.869 0.720 25143 3242 1 13 . 1 1 101 101 THR H H 101 8.017 8.017 8.257 -0.240 25143 3243 1 13 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.397 -0.061 25143 3244 1 13 . 1 1 102 102 PRO CA C 102 62.884 62.884 63.516 -0.632 25143 3245 1 13 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.149 -0.382 25143 3246 1 13 . 1 1 103 103 ALA N N 103 125.184 125.184 121.910 3.274 25143 3247 1 13 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.520 -0.235 25143 3248 1 13 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.379 0.638 25143 3249 1 13 . 1 1 103 103 ALA CB C 103 18.974 18.974 20.822 -1.848 25143 3250 1 13 . 1 1 103 103 ALA H H 103 8.333 8.333 7.735 0.598 25143 3251 1 14 . 1 1 50 50 GLU N N 50 120.583 120.583 122.016 -1.433 25143 3252 1 14 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.407 -0.239 25143 3253 1 14 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.277 0.547 25143 3254 1 14 . 1 1 50 50 GLU CB C 50 29.718 29.718 29.191 0.527 25143 3255 1 14 . 1 1 50 50 GLU H H 50 8.300 8.300 8.772 -0.472 25143 3256 1 14 . 1 1 51 51 GLU N N 51 121.142 121.142 119.598 1.544 25143 3257 1 14 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.124 -0.000 25143 3258 1 14 . 1 1 51 51 GLU CA C 51 56.362 56.362 57.499 -1.137 25143 3259 1 14 . 1 1 51 51 GLU CB C 51 29.727 29.727 30.415 -0.688 25143 3260 1 14 . 1 1 51 51 GLU H H 51 8.140 8.140 8.529 -0.389 25143 3261 1 14 . 1 1 52 52 PHE N N 52 120.500 120.500 117.002 3.498 25143 3262 1 14 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.755 -0.240 25143 3263 1 14 . 1 1 52 52 PHE CA C 52 57.409 57.409 56.838 0.571 25143 3264 1 14 . 1 1 52 52 PHE CB C 52 39.326 39.326 41.957 -2.631 25143 3265 1 14 . 1 1 52 52 PHE H H 52 8.106 8.106 7.522 0.584 25143 3266 1 14 . 1 1 53 53 GLN N N 53 121.616 121.616 121.011 0.605 25143 3267 1 14 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.279 -0.067 25143 3268 1 14 . 1 1 53 53 GLN CA C 53 55.345 55.345 54.868 0.477 25143 3269 1 14 . 1 1 53 53 GLN CB C 53 29.357 29.357 30.223 -0.866 25143 3270 1 14 . 1 1 53 53 GLN H H 53 8.047 8.047 8.673 -0.626 25143 3271 1 14 . 1 1 54 54 PHE N N 54 120.217 120.217 124.053 -3.836 25143 3272 1 14 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.567 0.081 25143 3273 1 14 . 1 1 54 54 PHE CA C 54 56.824 56.824 55.935 0.889 25143 3274 1 14 . 1 1 54 54 PHE CB C 54 39.522 39.522 38.492 1.030 25143 3275 1 14 . 1 1 54 54 PHE H H 54 7.956 7.956 8.156 -0.200 25143 3276 1 14 . 1 1 55 55 LEU N N 55 123.391 123.391 127.258 -3.867 25143 3277 1 14 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.233 0.153 25143 3278 1 14 . 1 1 55 55 LEU CA C 55 54.421 54.421 55.678 -1.257 25143 3279 1 14 . 1 1 55 55 LEU CB C 55 43.024 43.024 43.346 -0.322 25143 3280 1 14 . 1 1 55 55 LEU H H 55 8.567 8.567 8.570 -0.003 25143 3281 1 14 . 1 1 56 56 ARG N N 56 120.442 120.442 125.693 -5.251 25143 3282 1 14 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.669 -0.100 25143 3283 1 14 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.631 -0.078 25143 3284 1 14 . 1 1 56 56 ARG CB C 56 31.817 31.817 32.816 -0.999 25143 3285 1 14 . 1 1 56 56 ARG H H 56 8.101 8.101 8.417 -0.316 25143 3286 1 14 . 1 1 57 57 CYS N N 57 123.891 123.891 121.847 2.044 25143 3287 1 14 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.504 -0.551 25143 3288 1 14 . 1 1 57 57 CYS CA C 57 59.135 59.135 58.205 0.930 25143 3289 1 14 . 1 1 57 57 CYS CB C 57 31.290 31.290 29.636 1.654 25143 3290 1 14 . 1 1 57 57 CYS H H 57 8.828 8.828 8.346 0.482 25143 3291 1 14 . 1 1 58 58 GLN N N 58 128.172 128.172 128.194 -0.022 25143 3292 1 14 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.054 0.067 25143 3293 1 14 . 1 1 58 58 GLN CA C 58 58.528 58.528 58.473 0.055 25143 3294 1 14 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.660 1.290 25143 3295 1 14 . 1 1 58 58 GLN H H 58 9.222 9.222 8.884 0.338 25143 3296 1 14 . 1 1 59 59 GLN N N 59 121.709 121.709 117.848 3.861 25143 3297 1 14 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.260 0.329 25143 3298 1 14 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.413 0.196 25143 3299 1 14 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.299 0.418 25143 3300 1 14 . 1 1 59 59 GLN H H 59 9.200 9.200 8.273 0.927 25143 3301 1 14 . 1 1 60 60 CYS N N 60 119.482 119.482 115.877 3.605 25143 3302 1 14 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.691 0.103 25143 3303 1 14 . 1 1 60 60 CYS CA C 60 59.458 59.458 59.498 -0.040 25143 3304 1 14 . 1 1 60 60 CYS CB C 60 32.179 32.179 30.367 1.812 25143 3305 1 14 . 1 1 60 60 CYS H H 60 8.566 8.566 7.547 1.019 25143 3306 1 14 . 1 1 61 61 GLN N N 61 115.153 115.153 116.932 -1.779 25143 3307 1 14 . 1 1 61 61 GLN HA H 61 4.153 4.153 4.050 0.103 25143 3308 1 14 . 1 1 61 61 GLN CA C 61 57.979 57.979 57.065 0.914 25143 3309 1 14 . 1 1 61 61 GLN CB C 61 25.342 25.342 26.017 -0.675 25143 3310 1 14 . 1 1 61 61 GLN H H 61 7.672 7.672 8.300 -0.628 25143 3311 1 14 . 1 1 62 62 ALA N N 62 124.669 124.669 119.460 5.209 25143 3312 1 14 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.624 -0.187 25143 3313 1 14 . 1 1 62 62 ALA CA C 62 52.064 52.064 50.883 1.181 25143 3314 1 14 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.264 -0.442 25143 3315 1 14 . 1 1 62 62 ALA H H 62 8.728 8.728 7.537 1.191 25143 3316 1 14 . 1 1 63 63 GLU N N 63 119.649 119.649 120.551 -0.902 25143 3317 1 14 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.246 -0.209 25143 3318 1 14 . 1 1 63 63 GLU CA C 63 57.332 57.332 56.676 0.656 25143 3319 1 14 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.667 -0.405 25143 3320 1 14 . 1 1 63 63 GLU H H 63 8.523 8.523 8.588 -0.065 25143 3321 1 14 . 1 1 64 64 ALA N N 64 128.762 128.762 128.284 0.478 25143 3322 1 14 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.259 0.127 25143 3323 1 14 . 1 1 64 64 ALA CA C 64 50.354 50.354 52.233 -1.879 25143 3324 1 14 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.252 -0.917 25143 3325 1 14 . 1 1 64 64 ALA H H 64 8.581 8.581 8.618 -0.037 25143 3326 1 14 . 1 1 65 65 LYS N N 65 122.223 122.223 122.660 -0.437 25143 3327 1 14 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.053 0.028 25143 3328 1 14 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.324 -1.269 25143 3329 1 14 . 1 1 65 65 LYS CB C 65 32.306 32.306 33.041 -0.735 25143 3330 1 14 . 1 1 65 65 LYS H H 65 8.175 8.175 8.706 -0.531 25143 3331 1 14 . 1 1 66 66 CYS N N 66 117.296 117.296 115.704 1.592 25143 3332 1 14 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.719 -0.027 25143 3333 1 14 . 1 1 66 66 CYS CA C 66 53.727 53.727 55.876 -2.149 25143 3334 1 14 . 1 1 66 66 CYS H H 66 8.790 8.790 7.922 0.868 25143 3335 1 14 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.441 -0.044 25143 3336 1 14 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.885 -0.056 25143 3337 1 14 . 1 1 67 67 PRO CB C 67 31.785 31.785 30.613 1.173 25143 3338 1 14 . 1 1 68 68 LYS N N 68 121.724 121.724 123.707 -1.983 25143 3339 1 14 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.489 -0.204 25143 3340 1 14 . 1 1 68 68 LYS CA C 68 54.929 54.929 55.436 -0.507 25143 3341 1 14 . 1 1 68 68 LYS CB C 68 33.327 33.327 33.257 0.070 25143 3342 1 14 . 1 1 68 68 LYS H H 68 8.662 8.662 8.141 0.521 25143 3343 1 14 . 1 1 69 69 LEU N N 69 125.851 125.851 125.743 0.108 25143 3344 1 14 . 1 1 69 69 LEU HA H 69 4.474 4.474 4.927 -0.453 25143 3345 1 14 . 1 1 69 69 LEU CA C 69 54.454 54.454 54.241 0.213 25143 3346 1 14 . 1 1 69 69 LEU CB C 69 41.720 41.720 44.279 -2.559 25143 3347 1 14 . 1 1 69 69 LEU H H 69 8.320 8.320 8.446 -0.126 25143 3348 1 14 . 1 1 70 70 LEU N N 70 128.488 128.488 122.280 6.208 25143 3349 1 14 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.884 -0.236 25143 3350 1 14 . 1 1 70 70 LEU CA C 70 53.127 53.127 51.545 1.582 25143 3351 1 14 . 1 1 70 70 LEU CB C 70 42.832 42.832 42.599 0.233 25143 3352 1 14 . 1 1 70 70 LEU H H 70 8.677 8.677 8.073 0.604 25143 3353 1 14 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.348 -0.072 25143 3354 1 14 . 1 1 71 71 PRO CA C 71 64.790 64.790 65.041 -0.251 25143 3355 1 14 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.861 -0.401 25143 3356 1 14 . 1 1 72 72 CYS N N 72 112.135 112.135 117.415 -5.280 25143 3357 1 14 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.385 -0.111 25143 3358 1 14 . 1 1 72 72 CYS CA C 72 57.194 57.194 58.361 -1.167 25143 3359 1 14 . 1 1 72 72 CYS CB C 72 31.085 31.085 26.785 4.300 25143 3360 1 14 . 1 1 72 72 CYS H H 72 7.204 7.204 7.534 -0.330 25143 3361 1 14 . 1 1 73 73 LEU N N 73 114.341 114.341 116.573 -2.232 25143 3362 1 14 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.964 -0.096 25143 3363 1 14 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.959 0.541 25143 3364 1 14 . 1 1 73 73 LEU CB C 73 37.671 37.671 39.177 -1.506 25143 3365 1 14 . 1 1 73 73 LEU H H 73 8.043 8.043 7.330 0.713 25143 3366 1 14 . 1 1 74 74 HIS N N 74 120.386 120.386 116.670 3.716 25143 3367 1 14 . 1 1 74 74 HIS HA H 74 4.990 4.990 4.770 0.220 25143 3368 1 14 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.616 4.056 25143 3369 1 14 . 1 1 74 74 HIS CB C 74 31.354 31.354 31.777 -0.423 25143 3370 1 14 . 1 1 74 74 HIS H H 74 7.831 7.831 7.547 0.284 25143 3371 1 14 . 1 1 75 75 THR N N 75 118.963 118.963 118.006 0.957 25143 3372 1 14 . 1 1 75 75 THR HA H 75 4.730 4.730 4.726 0.004 25143 3373 1 14 . 1 1 75 75 THR CA C 75 62.185 62.185 62.127 0.058 25143 3374 1 14 . 1 1 75 75 THR CB C 75 69.640 69.640 69.741 -0.101 25143 3375 1 14 . 1 1 75 75 THR H H 75 8.889 8.889 8.520 0.369 25143 3376 1 14 . 1 1 76 76 LEU N N 76 128.330 128.330 126.087 2.243 25143 3377 1 14 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.875 1.058 25143 3378 1 14 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.636 -2.127 25143 3379 1 14 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.179 -0.985 25143 3380 1 14 . 1 1 76 76 LEU H H 76 8.767 8.767 8.746 0.021 25143 3381 1 14 . 1 1 77 77 CYS N N 77 119.360 119.360 116.180 3.180 25143 3382 1 14 . 1 1 77 77 CYS HA H 77 4.732 4.732 5.481 -0.749 25143 3383 1 14 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.626 0.244 25143 3384 1 14 . 1 1 77 77 CYS CB C 77 31.698 31.698 30.993 0.705 25143 3385 1 14 . 1 1 77 77 CYS H H 77 9.510 9.510 8.148 1.362 25143 3386 1 14 . 1 1 78 78 SER N N 78 114.841 114.841 117.745 -2.904 25143 3387 1 14 . 1 1 78 78 SER HA H 78 4.037 4.037 4.041 -0.004 25143 3388 1 14 . 1 1 78 78 SER CA C 78 61.756 61.756 61.350 0.406 25143 3389 1 14 . 1 1 78 78 SER CB C 78 62.254 62.254 62.257 -0.003 25143 3390 1 14 . 1 1 78 78 SER H H 78 8.593 8.593 8.684 -0.091 25143 3391 1 14 . 1 1 79 79 GLY N N 79 111.904 111.904 109.653 2.251 25143 3392 1 14 . 1 1 79 79 GLY CA C 79 46.777 46.777 46.987 -0.210 25143 3393 1 14 . 1 1 79 79 GLY H H 79 8.391 8.391 8.874 -0.483 25143 3394 1 14 . 1 1 80 80 CYS N N 80 126.807 126.807 120.653 6.154 25143 3395 1 14 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.166 -0.212 25143 3396 1 14 . 1 1 80 80 CYS CA C 80 65.189 65.189 63.724 1.465 25143 3397 1 14 . 1 1 80 80 CYS CB C 80 28.846 28.846 27.811 1.035 25143 3398 1 14 . 1 1 80 80 CYS H H 80 9.039 9.039 7.858 1.181 25143 3399 1 14 . 1 1 81 81 LEU N N 81 120.440 120.440 122.708 -2.268 25143 3400 1 14 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.246 -0.114 25143 3401 1 14 . 1 1 81 81 LEU CA C 81 57.443 57.443 57.922 -0.479 25143 3402 1 14 . 1 1 81 81 LEU CB C 81 41.782 41.782 42.294 -0.512 25143 3403 1 14 . 1 1 81 81 LEU H H 81 8.109 8.109 8.024 0.085 25143 3404 1 14 . 1 1 82 82 GLU N N 82 120.149 120.149 117.085 3.064 25143 3405 1 14 . 1 1 82 82 GLU HA H 82 4.037 4.037 3.975 0.062 25143 3406 1 14 . 1 1 82 82 GLU CA C 82 59.319 59.319 58.966 0.353 25143 3407 1 14 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.419 -0.492 25143 3408 1 14 . 1 1 82 82 GLU H H 82 8.432 8.432 8.415 0.017 25143 3409 1 14 . 1 1 83 83 ALA N N 83 120.334 120.334 121.337 -1.003 25143 3410 1 14 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.311 -0.012 25143 3411 1 14 . 1 1 83 83 ALA CA C 83 53.543 53.543 53.973 -0.430 25143 3412 1 14 . 1 1 83 83 ALA CB C 83 18.334 18.334 19.370 -1.036 25143 3413 1 14 . 1 1 83 83 ALA H H 83 7.715 7.715 7.547 0.168 25143 3414 1 14 . 1 1 84 84 SER N N 84 112.368 112.368 114.008 -1.640 25143 3415 1 14 . 1 1 84 84 SER HA H 84 4.494 4.494 4.625 -0.131 25143 3416 1 14 . 1 1 84 84 SER CA C 84 58.210 58.210 58.537 -0.327 25143 3417 1 14 . 1 1 84 84 SER CB C 84 63.837 63.837 63.444 0.393 25143 3418 1 14 . 1 1 84 84 SER H H 84 7.570 7.570 8.051 -0.481 25143 3419 1 14 . 1 1 85 85 GLY N N 85 110.612 110.612 110.123 0.489 25143 3420 1 14 . 1 1 85 85 GLY CA C 85 46.841 46.841 45.549 1.292 25143 3421 1 14 . 1 1 85 85 GLY H H 85 7.955 7.955 7.807 0.148 25143 3422 1 14 . 1 1 86 86 MET N N 86 113.856 113.856 120.902 -7.046 25143 3423 1 14 . 1 1 86 86 MET HA H 86 3.804 3.804 4.439 -0.635 25143 3424 1 14 . 1 1 86 86 MET CA C 86 55.160 55.160 55.289 -0.129 25143 3425 1 14 . 1 1 86 86 MET CB C 86 28.494 28.494 32.469 -3.975 25143 3426 1 14 . 1 1 86 86 MET H H 86 8.489 8.489 8.391 0.098 25143 3427 1 14 . 1 1 87 87 GLN N N 87 116.394 116.394 119.087 -2.693 25143 3428 1 14 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.487 -0.038 25143 3429 1 14 . 1 1 87 87 GLN CA C 87 53.404 53.404 55.378 -1.974 25143 3430 1 14 . 1 1 87 87 GLN CB C 87 30.964 30.964 31.477 -0.513 25143 3431 1 14 . 1 1 87 87 GLN H H 87 7.188 7.188 7.535 -0.347 25143 3432 1 14 . 1 1 88 88 CYS N N 88 124.484 124.484 120.895 3.589 25143 3433 1 14 . 1 1 88 88 CYS HA H 88 4.300 4.300 5.007 -0.707 25143 3434 1 14 . 1 1 88 88 CYS CA C 88 57.101 57.101 54.443 2.659 25143 3435 1 14 . 1 1 88 88 CYS CB C 88 31.117 31.117 28.519 2.598 25143 3436 1 14 . 1 1 88 88 CYS H H 88 8.616 8.616 8.757 -0.141 25143 3437 1 14 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.398 0.111 25143 3438 1 14 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.040 -0.324 25143 3439 1 14 . 1 1 89 89 PRO CB C 89 31.717 31.717 31.805 -0.088 25143 3440 1 14 . 1 1 90 90 ILE N N 90 123.484 123.484 119.072 4.412 25143 3441 1 14 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.857 -0.074 25143 3442 1 14 . 1 1 90 90 ILE CA C 90 62.878 62.878 64.612 -1.734 25143 3443 1 14 . 1 1 90 90 ILE CB C 90 37.483 37.483 37.855 -0.372 25143 3444 1 14 . 1 1 90 90 ILE H H 90 8.908 8.908 8.451 0.457 25143 3445 1 14 . 1 1 91 91 CYS N N 91 120.890 120.890 115.318 5.572 25143 3446 1 14 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.567 -0.050 25143 3447 1 14 . 1 1 91 91 CYS CA C 91 60.891 60.891 57.683 3.208 25143 3448 1 14 . 1 1 91 91 CYS CB C 91 31.244 31.244 28.520 2.724 25143 3449 1 14 . 1 1 91 91 CYS H H 91 8.587 8.587 7.950 0.637 25143 3450 1 14 . 1 1 92 92 GLN N N 92 116.563 116.563 120.498 -3.935 25143 3451 1 14 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.066 0.066 25143 3452 1 14 . 1 1 92 92 GLN CA C 92 56.824 56.824 57.421 -0.597 25143 3453 1 14 . 1 1 92 92 GLN CB C 92 27.216 27.216 28.940 -1.724 25143 3454 1 14 . 1 1 92 92 GLN H H 92 7.787 7.787 7.673 0.114 25143 3455 1 14 . 1 1 93 93 ALA N N 93 125.273 125.273 122.369 2.904 25143 3456 1 14 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.620 -0.059 25143 3457 1 14 . 1 1 93 93 ALA CA C 93 50.862 50.862 49.581 1.281 25143 3458 1 14 . 1 1 93 93 ALA CB C 93 18.415 18.415 18.916 -0.501 25143 3459 1 14 . 1 1 93 93 ALA H H 93 8.031 8.031 7.427 0.604 25143 3460 1 14 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.197 0.341 25143 3461 1 14 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.276 0.237 25143 3462 1 14 . 1 1 94 94 PRO CB C 94 31.684 31.684 32.251 -0.567 25143 3463 1 14 . 1 1 95 95 TRP N N 95 121.986 121.986 122.384 -0.398 25143 3464 1 14 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.775 0.267 25143 3465 1 14 . 1 1 95 95 TRP CA C 95 54.005 54.005 55.252 -1.247 25143 3466 1 14 . 1 1 95 95 TRP CB C 95 28.846 28.846 28.293 0.553 25143 3467 1 14 . 1 1 95 95 TRP H H 95 8.012 8.012 8.009 0.003 25143 3468 1 14 . 1 1 96 96 PRO CA C 96 62.690 62.690 63.930 -1.240 25143 3469 1 14 . 1 1 96 96 PRO CB C 96 31.770 31.770 32.564 -0.794 25143 3470 1 14 . 1 1 97 97 LEU N N 97 122.075 122.075 117.613 4.462 25143 3471 1 14 . 1 1 97 97 LEU HA H 97 4.299 4.299 3.869 0.430 25143 3472 1 14 . 1 1 97 97 LEU CA C 97 55.206 55.206 55.008 0.198 25143 3473 1 14 . 1 1 97 97 LEU CB C 97 42.046 42.046 41.541 0.505 25143 3474 1 14 . 1 1 97 97 LEU H H 97 8.145 8.145 7.903 0.242 25143 3475 1 14 . 1 1 98 98 GLY N N 98 110.020 110.020 106.834 3.186 25143 3476 1 14 . 1 1 98 98 GLY CA C 98 45.085 45.085 44.981 0.104 25143 3477 1 14 . 1 1 98 98 GLY H H 98 8.444 8.444 8.588 -0.144 25143 3478 1 14 . 1 1 99 99 ALA N N 99 123.511 123.511 123.964 -0.453 25143 3479 1 14 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.596 -0.297 25143 3480 1 14 . 1 1 99 99 ALA CA C 99 52.249 52.249 51.612 0.637 25143 3481 1 14 . 1 1 99 99 ALA CB C 99 18.936 18.936 20.712 -1.776 25143 3482 1 14 . 1 1 99 99 ALA H H 99 8.176 8.176 7.913 0.263 25143 3483 1 14 . 1 1 100 100 ASP N N 100 119.098 119.098 120.619 -1.521 25143 3484 1 14 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.829 -0.268 25143 3485 1 14 . 1 1 100 100 ASP CA C 100 53.912 53.912 53.827 0.085 25143 3486 1 14 . 1 1 100 100 ASP CB C 100 40.580 40.580 41.267 -0.687 25143 3487 1 14 . 1 1 100 100 ASP H H 100 8.383 8.383 8.403 -0.020 25143 3488 1 14 . 1 1 101 101 THR N N 101 116.696 116.696 117.252 -0.556 25143 3489 1 14 . 1 1 101 101 THR HA H 101 4.517 4.517 4.808 -0.291 25143 3490 1 14 . 1 1 101 101 THR CA C 101 59.551 59.551 58.887 0.664 25143 3491 1 14 . 1 1 101 101 THR CB C 101 69.589 69.589 69.313 0.276 25143 3492 1 14 . 1 1 101 101 THR H H 101 8.017 8.017 8.334 -0.317 25143 3493 1 14 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.373 -0.037 25143 3494 1 14 . 1 1 102 102 PRO CA C 102 62.884 62.884 63.770 -0.886 25143 3495 1 14 . 1 1 102 102 PRO CB C 102 31.767 31.767 31.829 -0.062 25143 3496 1 14 . 1 1 103 103 ALA N N 103 125.184 125.184 122.981 2.203 25143 3497 1 14 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.448 -0.163 25143 3498 1 14 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.567 0.450 25143 3499 1 14 . 1 1 103 103 ALA CB C 103 18.974 18.974 20.028 -1.054 25143 3500 1 14 . 1 1 103 103 ALA H H 103 8.333 8.333 7.696 0.637 25143 3501 1 15 . 1 1 50 50 GLU N N 50 120.583 120.583 120.326 0.257 25143 3502 1 15 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.718 -0.550 25143 3503 1 15 . 1 1 50 50 GLU CA C 50 56.824 56.824 55.997 0.827 25143 3504 1 15 . 1 1 50 50 GLU CB C 50 29.718 29.718 32.697 -2.979 25143 3505 1 15 . 1 1 50 50 GLU H H 50 8.300 8.300 8.583 -0.283 25143 3506 1 15 . 1 1 51 51 GLU N N 51 121.142 121.142 120.478 0.664 25143 3507 1 15 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.790 -0.666 25143 3508 1 15 . 1 1 51 51 GLU CA C 51 56.362 56.362 55.802 0.560 25143 3509 1 15 . 1 1 51 51 GLU CB C 51 29.727 29.727 31.081 -1.354 25143 3510 1 15 . 1 1 51 51 GLU H H 51 8.140 8.140 8.509 -0.369 25143 3511 1 15 . 1 1 52 52 PHE N N 52 120.500 120.500 121.348 -0.848 25143 3512 1 15 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.702 -0.187 25143 3513 1 15 . 1 1 52 52 PHE CA C 52 57.409 57.409 58.331 -0.922 25143 3514 1 15 . 1 1 52 52 PHE CB C 52 39.326 39.326 40.320 -0.994 25143 3515 1 15 . 1 1 52 52 PHE H H 52 8.106 8.106 8.524 -0.418 25143 3516 1 15 . 1 1 53 53 GLN N N 53 121.616 121.616 125.549 -3.933 25143 3517 1 15 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.644 -0.432 25143 3518 1 15 . 1 1 53 53 GLN CA C 53 55.345 55.345 55.732 -0.387 25143 3519 1 15 . 1 1 53 53 GLN CB C 53 29.357 29.357 29.066 0.291 25143 3520 1 15 . 1 1 53 53 GLN H H 53 8.047 8.047 8.426 -0.379 25143 3521 1 15 . 1 1 54 54 PHE N N 54 120.217 120.217 121.722 -1.505 25143 3522 1 15 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.824 -0.176 25143 3523 1 15 . 1 1 54 54 PHE CA C 54 56.824 56.824 57.756 -0.932 25143 3524 1 15 . 1 1 54 54 PHE CB C 54 39.522 39.522 40.475 -0.953 25143 3525 1 15 . 1 1 54 54 PHE H H 54 7.956 7.956 8.699 -0.743 25143 3526 1 15 . 1 1 55 55 LEU N N 55 123.391 123.391 123.121 0.270 25143 3527 1 15 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.139 0.247 25143 3528 1 15 . 1 1 55 55 LEU CA C 55 54.421 54.421 53.166 1.255 25143 3529 1 15 . 1 1 55 55 LEU CB C 55 43.024 43.024 45.599 -2.575 25143 3530 1 15 . 1 1 55 55 LEU H H 55 8.567 8.567 8.199 0.368 25143 3531 1 15 . 1 1 56 56 ARG N N 56 120.442 120.442 119.515 0.927 25143 3532 1 15 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.600 -0.031 25143 3533 1 15 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.889 -0.336 25143 3534 1 15 . 1 1 56 56 ARG CB C 56 31.817 31.817 32.967 -1.150 25143 3535 1 15 . 1 1 56 56 ARG H H 56 8.101 8.101 8.268 -0.167 25143 3536 1 15 . 1 1 57 57 CYS N N 57 123.891 123.891 125.035 -1.144 25143 3537 1 15 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.410 -0.457 25143 3538 1 15 . 1 1 57 57 CYS CA C 57 59.135 59.135 59.228 -0.093 25143 3539 1 15 . 1 1 57 57 CYS CB C 57 31.290 31.290 29.033 2.257 25143 3540 1 15 . 1 1 57 57 CYS H H 57 8.828 8.828 8.781 0.047 25143 3541 1 15 . 1 1 58 58 GLN N N 58 128.172 128.172 128.693 -0.521 25143 3542 1 15 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.020 0.101 25143 3543 1 15 . 1 1 58 58 GLN CA C 58 58.528 58.528 58.265 0.263 25143 3544 1 15 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.731 1.219 25143 3545 1 15 . 1 1 58 58 GLN H H 58 9.222 9.222 8.698 0.524 25143 3546 1 15 . 1 1 59 59 GLN N N 59 121.709 121.709 118.335 3.374 25143 3547 1 15 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.284 0.305 25143 3548 1 15 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.425 0.184 25143 3549 1 15 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.252 0.465 25143 3550 1 15 . 1 1 59 59 GLN H H 59 9.200 9.200 8.334 0.866 25143 3551 1 15 . 1 1 60 60 CYS N N 60 119.482 119.482 116.346 3.136 25143 3552 1 15 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.647 0.147 25143 3553 1 15 . 1 1 60 60 CYS CA C 60 59.458 59.458 58.541 0.917 25143 3554 1 15 . 1 1 60 60 CYS CB C 60 32.179 32.179 29.857 2.322 25143 3555 1 15 . 1 1 60 60 CYS H H 60 8.566 8.566 7.459 1.107 25143 3556 1 15 . 1 1 61 61 GLN N N 61 115.153 115.153 118.877 -3.724 25143 3557 1 15 . 1 1 61 61 GLN HA H 61 4.153 4.153 4.019 0.134 25143 3558 1 15 . 1 1 61 61 GLN CA C 61 57.979 57.979 56.861 1.118 25143 3559 1 15 . 1 1 61 61 GLN CB C 61 25.342 25.342 26.893 -1.551 25143 3560 1 15 . 1 1 61 61 GLN H H 61 7.672 7.672 8.250 -0.578 25143 3561 1 15 . 1 1 62 62 ALA N N 62 124.669 124.669 120.156 4.513 25143 3562 1 15 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.615 -0.178 25143 3563 1 15 . 1 1 62 62 ALA CA C 62 52.064 52.064 51.656 0.408 25143 3564 1 15 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.294 -0.472 25143 3565 1 15 . 1 1 62 62 ALA H H 62 8.728 8.728 7.652 1.076 25143 3566 1 15 . 1 1 63 63 GLU N N 63 119.649 119.649 120.575 -0.926 25143 3567 1 15 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.401 -0.364 25143 3568 1 15 . 1 1 63 63 GLU CA C 63 57.332 57.332 56.617 0.715 25143 3569 1 15 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.338 -0.076 25143 3570 1 15 . 1 1 63 63 GLU H H 63 8.523 8.523 8.537 -0.014 25143 3571 1 15 . 1 1 64 64 ALA N N 64 128.762 128.762 128.262 0.500 25143 3572 1 15 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.423 -0.037 25143 3573 1 15 . 1 1 64 64 ALA CA C 64 50.354 50.354 51.988 -1.634 25143 3574 1 15 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.288 -0.953 25143 3575 1 15 . 1 1 64 64 ALA H H 64 8.581 8.581 8.599 -0.018 25143 3576 1 15 . 1 1 65 65 LYS N N 65 122.223 122.223 122.114 0.109 25143 3577 1 15 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.150 -0.069 25143 3578 1 15 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.202 -1.147 25143 3579 1 15 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.995 -0.689 25143 3580 1 15 . 1 1 65 65 LYS H H 65 8.175 8.175 8.680 -0.505 25143 3581 1 15 . 1 1 66 66 CYS N N 66 117.296 117.296 119.324 -2.028 25143 3582 1 15 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.797 -0.105 25143 3583 1 15 . 1 1 66 66 CYS CA C 66 53.727 53.727 55.697 -1.970 25143 3584 1 15 . 1 1 66 66 CYS H H 66 8.790 8.790 8.043 0.747 25143 3585 1 15 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.675 -0.278 25143 3586 1 15 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.771 0.058 25143 3587 1 15 . 1 1 67 67 PRO CB C 67 31.785 31.785 31.189 0.596 25143 3588 1 15 . 1 1 68 68 LYS N N 68 121.724 121.724 126.341 -4.617 25143 3589 1 15 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.561 -0.276 25143 3590 1 15 . 1 1 68 68 LYS CA C 68 54.929 54.929 55.299 -0.370 25143 3591 1 15 . 1 1 68 68 LYS CB C 68 33.327 33.327 35.135 -1.808 25143 3592 1 15 . 1 1 68 68 LYS H H 68 8.662 8.662 9.042 -0.380 25143 3593 1 15 . 1 1 69 69 LEU N N 69 125.851 125.851 123.177 2.674 25143 3594 1 15 . 1 1 69 69 LEU HA H 69 4.474 4.474 4.713 -0.239 25143 3595 1 15 . 1 1 69 69 LEU CA C 69 54.454 54.454 54.488 -0.034 25143 3596 1 15 . 1 1 69 69 LEU CB C 69 41.720 41.720 43.240 -1.520 25143 3597 1 15 . 1 1 69 69 LEU H H 69 8.320 8.320 8.384 -0.064 25143 3598 1 15 . 1 1 70 70 LEU N N 70 128.488 128.488 123.417 5.071 25143 3599 1 15 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.945 -0.297 25143 3600 1 15 . 1 1 70 70 LEU CA C 70 53.127 53.127 51.838 1.289 25143 3601 1 15 . 1 1 70 70 LEU CB C 70 42.832 42.832 43.928 -1.097 25143 3602 1 15 . 1 1 70 70 LEU H H 70 8.677 8.677 8.049 0.628 25143 3603 1 15 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.460 -0.184 25143 3604 1 15 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.902 -0.112 25143 3605 1 15 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.983 -0.523 25143 3606 1 15 . 1 1 72 72 CYS N N 72 112.135 112.135 118.293 -6.158 25143 3607 1 15 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.690 -0.416 25143 3608 1 15 . 1 1 72 72 CYS CA C 72 57.194 57.194 56.807 0.387 25143 3609 1 15 . 1 1 72 72 CYS CB C 72 31.085 31.085 26.009 5.076 25143 3610 1 15 . 1 1 72 72 CYS H H 72 7.204 7.204 7.855 -0.651 25143 3611 1 15 . 1 1 73 73 LEU N N 73 114.341 114.341 118.106 -3.765 25143 3612 1 15 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.988 -0.120 25143 3613 1 15 . 1 1 73 73 LEU CA C 73 56.500 56.500 56.233 0.267 25143 3614 1 15 . 1 1 73 73 LEU CB C 73 37.671 37.671 39.809 -2.138 25143 3615 1 15 . 1 1 73 73 LEU H H 73 8.043 8.043 7.761 0.282 25143 3616 1 15 . 1 1 74 74 HIS N N 74 120.386 120.386 116.134 4.252 25143 3617 1 15 . 1 1 74 74 HIS HA H 74 4.990 4.990 4.729 0.261 25143 3618 1 15 . 1 1 74 74 HIS CA C 74 58.672 58.672 55.025 3.647 25143 3619 1 15 . 1 1 74 74 HIS CB C 74 31.354 31.354 31.505 -0.151 25143 3620 1 15 . 1 1 74 74 HIS H H 74 7.831 7.831 7.880 -0.049 25143 3621 1 15 . 1 1 75 75 THR N N 75 118.963 118.963 117.879 1.084 25143 3622 1 15 . 1 1 75 75 THR HA H 75 4.730 4.730 4.907 -0.177 25143 3623 1 15 . 1 1 75 75 THR CA C 75 62.185 62.185 62.159 0.026 25143 3624 1 15 . 1 1 75 75 THR CB C 75 69.640 69.640 69.876 -0.236 25143 3625 1 15 . 1 1 75 75 THR H H 75 8.889 8.889 8.366 0.523 25143 3626 1 15 . 1 1 76 76 LEU N N 76 128.330 128.330 126.620 1.710 25143 3627 1 15 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.880 1.053 25143 3628 1 15 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.327 -1.818 25143 3629 1 15 . 1 1 76 76 LEU CB C 76 46.194 46.194 46.983 -0.789 25143 3630 1 15 . 1 1 76 76 LEU H H 76 8.767 8.767 8.631 0.136 25143 3631 1 15 . 1 1 77 77 CYS N N 77 119.360 119.360 116.655 2.705 25143 3632 1 15 . 1 1 77 77 CYS HA H 77 4.732 4.732 5.584 -0.852 25143 3633 1 15 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.291 0.579 25143 3634 1 15 . 1 1 77 77 CYS CB C 77 31.698 31.698 30.949 0.749 25143 3635 1 15 . 1 1 77 77 CYS H H 77 9.510 9.510 8.312 1.198 25143 3636 1 15 . 1 1 78 78 SER N N 78 114.841 114.841 116.706 -1.865 25143 3637 1 15 . 1 1 78 78 SER HA H 78 4.037 4.037 4.126 -0.089 25143 3638 1 15 . 1 1 78 78 SER CA C 78 61.756 61.756 61.339 0.417 25143 3639 1 15 . 1 1 78 78 SER CB C 78 62.254 62.254 62.662 -0.408 25143 3640 1 15 . 1 1 78 78 SER H H 78 8.593 8.593 8.444 0.149 25143 3641 1 15 . 1 1 79 79 GLY N N 79 111.904 111.904 109.550 2.354 25143 3642 1 15 . 1 1 79 79 GLY CA C 79 46.777 46.777 47.028 -0.251 25143 3643 1 15 . 1 1 79 79 GLY H H 79 8.391 8.391 8.759 -0.368 25143 3644 1 15 . 1 1 80 80 CYS N N 80 126.807 126.807 120.691 6.116 25143 3645 1 15 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.227 -0.273 25143 3646 1 15 . 1 1 80 80 CYS CA C 80 65.189 65.189 63.824 1.365 25143 3647 1 15 . 1 1 80 80 CYS CB C 80 28.846 28.846 27.970 0.876 25143 3648 1 15 . 1 1 80 80 CYS H H 80 9.039 9.039 7.385 1.654 25143 3649 1 15 . 1 1 81 81 LEU N N 81 120.440 120.440 122.723 -2.283 25143 3650 1 15 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.226 -0.094 25143 3651 1 15 . 1 1 81 81 LEU CA C 81 57.443 57.443 58.044 -0.601 25143 3652 1 15 . 1 1 81 81 LEU CB C 81 41.782 41.782 42.201 -0.419 25143 3653 1 15 . 1 1 81 81 LEU H H 81 8.109 8.109 7.975 0.134 25143 3654 1 15 . 1 1 82 82 GLU N N 82 120.149 120.149 117.097 3.052 25143 3655 1 15 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.100 -0.063 25143 3656 1 15 . 1 1 82 82 GLU CA C 82 59.319 59.319 58.642 0.677 25143 3657 1 15 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.538 -0.611 25143 3658 1 15 . 1 1 82 82 GLU H H 82 8.432 8.432 8.440 -0.008 25143 3659 1 15 . 1 1 83 83 ALA N N 83 120.334 120.334 120.770 -0.436 25143 3660 1 15 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.348 -0.049 25143 3661 1 15 . 1 1 83 83 ALA CA C 83 53.543 53.543 53.707 -0.164 25143 3662 1 15 . 1 1 83 83 ALA CB C 83 18.334 18.334 19.966 -1.632 25143 3663 1 15 . 1 1 83 83 ALA H H 83 7.715 7.715 7.483 0.232 25143 3664 1 15 . 1 1 84 84 SER N N 84 112.368 112.368 112.898 -0.530 25143 3665 1 15 . 1 1 84 84 SER HA H 84 4.494 4.494 4.727 -0.233 25143 3666 1 15 . 1 1 84 84 SER CA C 84 58.210 58.210 57.338 0.872 25143 3667 1 15 . 1 1 84 84 SER CB C 84 63.837 63.837 63.660 0.177 25143 3668 1 15 . 1 1 84 84 SER H H 84 7.570 7.570 8.501 -0.931 25143 3669 1 15 . 1 1 85 85 GLY N N 85 110.612 110.612 110.610 0.002 25143 3670 1 15 . 1 1 85 85 GLY CA C 85 46.841 46.841 45.048 1.793 25143 3671 1 15 . 1 1 85 85 GLY H H 85 7.955 7.955 7.937 0.018 25143 3672 1 15 . 1 1 86 86 MET N N 86 113.856 113.856 120.163 -6.307 25143 3673 1 15 . 1 1 86 86 MET HA H 86 3.804 3.804 4.428 -0.624 25143 3674 1 15 . 1 1 86 86 MET CA C 86 55.160 55.160 55.173 -0.013 25143 3675 1 15 . 1 1 86 86 MET CB C 86 28.494 28.494 32.260 -3.766 25143 3676 1 15 . 1 1 86 86 MET H H 86 8.489 8.489 8.381 0.108 25143 3677 1 15 . 1 1 87 87 GLN N N 87 116.394 116.394 118.346 -1.952 25143 3678 1 15 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.467 -0.018 25143 3679 1 15 . 1 1 87 87 GLN CA C 87 53.404 53.404 54.505 -1.101 25143 3680 1 15 . 1 1 87 87 GLN CB C 87 30.964 30.964 31.037 -0.073 25143 3681 1 15 . 1 1 87 87 GLN H H 87 7.188 7.188 7.237 -0.049 25143 3682 1 15 . 1 1 88 88 CYS N N 88 124.484 124.484 121.296 3.188 25143 3683 1 15 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.814 -0.514 25143 3684 1 15 . 1 1 88 88 CYS CA C 88 57.101 57.101 55.030 2.071 25143 3685 1 15 . 1 1 88 88 CYS CB C 88 31.117 31.117 29.097 2.020 25143 3686 1 15 . 1 1 88 88 CYS H H 88 8.616 8.616 8.553 0.063 25143 3687 1 15 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.348 0.161 25143 3688 1 15 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.733 -1.018 25143 3689 1 15 . 1 1 89 89 PRO CB C 89 31.717 31.717 31.998 -0.281 25143 3690 1 15 . 1 1 90 90 ILE N N 90 123.484 123.484 117.983 5.501 25143 3691 1 15 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.773 0.010 25143 3692 1 15 . 1 1 90 90 ILE CA C 90 62.878 62.878 65.004 -2.126 25143 3693 1 15 . 1 1 90 90 ILE CB C 90 37.483 37.483 37.993 -0.510 25143 3694 1 15 . 1 1 90 90 ILE H H 90 8.908 8.908 7.822 1.086 25143 3695 1 15 . 1 1 91 91 CYS N N 91 120.890 120.890 115.450 5.440 25143 3696 1 15 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.402 0.115 25143 3697 1 15 . 1 1 91 91 CYS CA C 91 60.891 60.891 60.148 0.743 25143 3698 1 15 . 1 1 91 91 CYS CB C 91 31.244 31.244 27.672 3.572 25143 3699 1 15 . 1 1 91 91 CYS H H 91 8.587 8.587 7.524 1.063 25143 3700 1 15 . 1 1 92 92 GLN N N 92 116.563 116.563 118.995 -2.432 25143 3701 1 15 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.370 -0.238 25143 3702 1 15 . 1 1 92 92 GLN CA C 92 56.824 56.824 55.239 1.585 25143 3703 1 15 . 1 1 92 92 GLN CB C 92 27.216 27.216 28.899 -1.683 25143 3704 1 15 . 1 1 92 92 GLN H H 92 7.787 7.787 7.309 0.478 25143 3705 1 15 . 1 1 93 93 ALA N N 93 125.273 125.273 123.769 1.504 25143 3706 1 15 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.232 0.329 25143 3707 1 15 . 1 1 93 93 ALA CA C 93 50.862 50.862 51.275 -0.413 25143 3708 1 15 . 1 1 93 93 ALA CB C 93 18.415 18.415 18.456 -0.041 25143 3709 1 15 . 1 1 93 93 ALA H H 93 8.031 8.031 7.343 0.688 25143 3710 1 15 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.209 0.329 25143 3711 1 15 . 1 1 94 94 PRO CA C 94 62.513 62.513 63.398 -0.885 25143 3712 1 15 . 1 1 94 94 PRO CB C 94 31.684 31.684 31.733 -0.049 25143 3713 1 15 . 1 1 95 95 TRP N N 95 121.986 121.986 121.833 0.153 25143 3714 1 15 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.579 0.463 25143 3715 1 15 . 1 1 95 95 TRP CA C 95 54.005 54.005 55.473 -1.468 25143 3716 1 15 . 1 1 95 95 TRP CB C 95 28.846 28.846 28.860 -0.014 25143 3717 1 15 . 1 1 95 95 TRP H H 95 8.012 8.012 7.289 0.723 25143 3718 1 15 . 1 1 96 96 PRO CA C 96 62.690 62.690 62.343 0.347 25143 3719 1 15 . 1 1 96 96 PRO CB C 96 31.770 31.770 32.631 -0.861 25143 3720 1 15 . 1 1 97 97 LEU N N 97 122.075 122.075 118.657 3.418 25143 3721 1 15 . 1 1 97 97 LEU HA H 97 4.299 4.299 4.064 0.235 25143 3722 1 15 . 1 1 97 97 LEU CA C 97 55.206 55.206 55.937 -0.731 25143 3723 1 15 . 1 1 97 97 LEU CB C 97 42.046 42.046 42.252 -0.206 25143 3724 1 15 . 1 1 97 97 LEU H H 97 8.145 8.145 8.277 -0.132 25143 3725 1 15 . 1 1 98 98 GLY N N 98 110.020 110.020 112.577 -2.557 25143 3726 1 15 . 1 1 98 98 GLY CA C 98 45.085 45.085 45.234 -0.149 25143 3727 1 15 . 1 1 98 98 GLY H H 98 8.444 8.444 8.298 0.146 25143 3728 1 15 . 1 1 99 99 ALA N N 99 123.511 123.511 125.692 -2.181 25143 3729 1 15 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.175 0.124 25143 3730 1 15 . 1 1 99 99 ALA CA C 99 52.249 52.249 53.824 -1.575 25143 3731 1 15 . 1 1 99 99 ALA CB C 99 18.936 18.936 18.934 0.002 25143 3732 1 15 . 1 1 99 99 ALA H H 99 8.176 8.176 8.448 -0.272 25143 3733 1 15 . 1 1 100 100 ASP N N 100 119.098 119.098 114.449 4.649 25143 3734 1 15 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.969 -0.408 25143 3735 1 15 . 1 1 100 100 ASP CA C 100 53.912 53.912 53.114 0.798 25143 3736 1 15 . 1 1 100 100 ASP CB C 100 40.580 40.580 43.826 -3.246 25143 3737 1 15 . 1 1 100 100 ASP H H 100 8.383 8.383 8.020 0.363 25143 3738 1 15 . 1 1 101 101 THR N N 101 116.696 116.696 114.101 2.595 25143 3739 1 15 . 1 1 101 101 THR HA H 101 4.517 4.517 4.880 -0.363 25143 3740 1 15 . 1 1 101 101 THR CA C 101 59.551 59.551 59.393 0.158 25143 3741 1 15 . 1 1 101 101 THR CB C 101 69.589 69.589 69.306 0.283 25143 3742 1 15 . 1 1 101 101 THR H H 101 8.017 8.017 7.974 0.043 25143 3743 1 15 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.457 -0.121 25143 3744 1 15 . 1 1 102 102 PRO CA C 102 62.884 62.884 63.792 -0.908 25143 3745 1 15 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.094 -0.327 25143 3746 1 15 . 1 1 103 103 ALA N N 103 125.184 125.184 122.133 3.051 25143 3747 1 15 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.370 -0.085 25143 3748 1 15 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.056 0.961 25143 3749 1 15 . 1 1 103 103 ALA CB C 103 18.974 18.974 19.902 -0.928 25143 3750 1 15 . 1 1 103 103 ALA H H 103 8.333 8.333 7.798 0.535 25143 3751 1 16 . 1 1 50 50 GLU N N 50 120.583 120.583 123.214 -2.631 25143 3752 1 16 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.253 -0.085 25143 3753 1 16 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.704 0.120 25143 3754 1 16 . 1 1 50 50 GLU CB C 50 29.718 29.718 29.004 0.714 25143 3755 1 16 . 1 1 50 50 GLU H H 50 8.300 8.300 8.265 0.035 25143 3756 1 16 . 1 1 51 51 GLU N N 51 121.142 121.142 122.365 -1.223 25143 3757 1 16 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.038 0.086 25143 3758 1 16 . 1 1 51 51 GLU CA C 51 56.362 56.362 57.146 -0.784 25143 3759 1 16 . 1 1 51 51 GLU CB C 51 29.727 29.727 29.172 0.555 25143 3760 1 16 . 1 1 51 51 GLU H H 51 8.140 8.140 8.345 -0.205 25143 3761 1 16 . 1 1 52 52 PHE N N 52 120.500 120.500 121.932 -1.432 25143 3762 1 16 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.538 -0.023 25143 3763 1 16 . 1 1 52 52 PHE CA C 52 57.409 57.409 58.021 -0.612 25143 3764 1 16 . 1 1 52 52 PHE CB C 52 39.326 39.326 40.352 -1.026 25143 3765 1 16 . 1 1 52 52 PHE H H 52 8.106 8.106 8.477 -0.371 25143 3766 1 16 . 1 1 53 53 GLN N N 53 121.616 121.616 123.392 -1.776 25143 3767 1 16 . 1 1 53 53 GLN HA H 53 4.212 4.212 3.815 0.397 25143 3768 1 16 . 1 1 53 53 GLN CA C 53 55.345 55.345 54.513 0.832 25143 3769 1 16 . 1 1 53 53 GLN CB C 53 29.357 29.357 31.400 -2.043 25143 3770 1 16 . 1 1 53 53 GLN H H 53 8.047 8.047 8.174 -0.127 25143 3771 1 16 . 1 1 54 54 PHE N N 54 120.217 120.217 120.627 -0.410 25143 3772 1 16 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.958 -0.310 25143 3773 1 16 . 1 1 54 54 PHE CA C 54 56.824 56.824 57.083 -0.259 25143 3774 1 16 . 1 1 54 54 PHE CB C 54 39.522 39.522 40.340 -0.818 25143 3775 1 16 . 1 1 54 54 PHE H H 54 7.956 7.956 7.929 0.027 25143 3776 1 16 . 1 1 55 55 LEU N N 55 123.391 123.391 123.442 -0.051 25143 3777 1 16 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.836 -0.450 25143 3778 1 16 . 1 1 55 55 LEU CA C 55 54.421 54.421 54.597 -0.176 25143 3779 1 16 . 1 1 55 55 LEU CB C 55 43.024 43.024 45.190 -2.166 25143 3780 1 16 . 1 1 55 55 LEU H H 55 8.567 8.567 8.497 0.070 25143 3781 1 16 . 1 1 56 56 ARG N N 56 120.442 120.442 121.751 -1.309 25143 3782 1 16 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.696 -0.127 25143 3783 1 16 . 1 1 56 56 ARG CA C 56 54.553 54.553 55.166 -0.613 25143 3784 1 16 . 1 1 56 56 ARG CB C 56 31.817 31.817 33.186 -1.369 25143 3785 1 16 . 1 1 56 56 ARG H H 56 8.101 8.101 8.540 -0.439 25143 3786 1 16 . 1 1 57 57 CYS N N 57 123.891 123.891 123.510 0.381 25143 3787 1 16 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.408 -0.455 25143 3788 1 16 . 1 1 57 57 CYS CA C 57 59.135 59.135 59.294 -0.159 25143 3789 1 16 . 1 1 57 57 CYS CB C 57 31.290 31.290 29.392 1.898 25143 3790 1 16 . 1 1 57 57 CYS H H 57 8.828 8.828 8.915 -0.087 25143 3791 1 16 . 1 1 58 58 GLN N N 58 128.172 128.172 128.961 -0.789 25143 3792 1 16 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.050 0.071 25143 3793 1 16 . 1 1 58 58 GLN CA C 58 58.528 58.528 58.498 0.030 25143 3794 1 16 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.722 1.228 25143 3795 1 16 . 1 1 58 58 GLN H H 58 9.222 9.222 8.759 0.463 25143 3796 1 16 . 1 1 59 59 GLN N N 59 121.709 121.709 118.041 3.668 25143 3797 1 16 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.270 0.319 25143 3798 1 16 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.699 -0.090 25143 3799 1 16 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.107 0.610 25143 3800 1 16 . 1 1 59 59 GLN H H 59 9.200 9.200 8.310 0.890 25143 3801 1 16 . 1 1 60 60 CYS N N 60 119.482 119.482 116.589 2.893 25143 3802 1 16 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.722 0.072 25143 3803 1 16 . 1 1 60 60 CYS CA C 60 59.458 59.458 58.892 0.566 25143 3804 1 16 . 1 1 60 60 CYS CB C 60 32.179 32.179 30.008 2.171 25143 3805 1 16 . 1 1 60 60 CYS H H 60 8.566 8.566 7.460 1.106 25143 3806 1 16 . 1 1 61 61 GLN N N 61 115.153 115.153 118.973 -3.820 25143 3807 1 16 . 1 1 61 61 GLN HA H 61 4.153 4.153 4.013 0.140 25143 3808 1 16 . 1 1 61 61 GLN CA C 61 57.979 57.979 57.088 0.891 25143 3809 1 16 . 1 1 61 61 GLN CB C 61 25.342 25.342 27.073 -1.731 25143 3810 1 16 . 1 1 61 61 GLN H H 61 7.672 7.672 8.441 -0.769 25143 3811 1 16 . 1 1 62 62 ALA N N 62 124.669 124.669 119.486 5.183 25143 3812 1 16 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.610 -0.173 25143 3813 1 16 . 1 1 62 62 ALA CA C 62 52.064 52.064 51.136 0.928 25143 3814 1 16 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.399 -0.577 25143 3815 1 16 . 1 1 62 62 ALA H H 62 8.728 8.728 7.604 1.124 25143 3816 1 16 . 1 1 63 63 GLU N N 63 119.649 119.649 120.545 -0.896 25143 3817 1 16 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.215 -0.178 25143 3818 1 16 . 1 1 63 63 GLU CA C 63 57.332 57.332 56.789 0.542 25143 3819 1 16 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.775 -0.513 25143 3820 1 16 . 1 1 63 63 GLU H H 63 8.523 8.523 8.550 -0.027 25143 3821 1 16 . 1 1 64 64 ALA N N 64 128.762 128.762 129.300 -0.538 25143 3822 1 16 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.424 -0.038 25143 3823 1 16 . 1 1 64 64 ALA CA C 64 50.354 50.354 51.358 -1.004 25143 3824 1 16 . 1 1 64 64 ALA CB C 64 18.335 18.335 18.546 -0.211 25143 3825 1 16 . 1 1 64 64 ALA H H 64 8.581 8.581 8.670 -0.089 25143 3826 1 16 . 1 1 65 65 LYS N N 65 122.223 122.223 120.943 1.280 25143 3827 1 16 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.084 -0.003 25143 3828 1 16 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.220 -1.165 25143 3829 1 16 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.591 -0.285 25143 3830 1 16 . 1 1 65 65 LYS H H 65 8.175 8.175 8.258 -0.083 25143 3831 1 16 . 1 1 66 66 CYS N N 66 117.296 117.296 119.206 -1.910 25143 3832 1 16 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.813 -0.121 25143 3833 1 16 . 1 1 66 66 CYS CA C 66 53.727 53.727 56.412 -2.685 25143 3834 1 16 . 1 1 66 66 CYS H H 66 8.790 8.790 7.850 0.940 25143 3835 1 16 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.453 -0.056 25143 3836 1 16 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.798 0.031 25143 3837 1 16 . 1 1 67 67 PRO CB C 67 31.785 31.785 30.974 0.810 25143 3838 1 16 . 1 1 68 68 LYS N N 68 121.724 121.724 124.649 -2.925 25143 3839 1 16 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.547 -0.262 25143 3840 1 16 . 1 1 68 68 LYS CA C 68 54.929 54.929 54.826 0.103 25143 3841 1 16 . 1 1 68 68 LYS CB C 68 33.327 33.327 33.950 -0.623 25143 3842 1 16 . 1 1 68 68 LYS H H 68 8.662 8.662 8.325 0.337 25143 3843 1 16 . 1 1 69 69 LEU N N 69 125.851 125.851 124.418 1.433 25143 3844 1 16 . 1 1 69 69 LEU HA H 69 4.474 4.474 5.178 -0.704 25143 3845 1 16 . 1 1 69 69 LEU CA C 69 54.454 54.454 53.260 1.194 25143 3846 1 16 . 1 1 69 69 LEU CB C 69 41.720 41.720 45.034 -3.314 25143 3847 1 16 . 1 1 69 69 LEU H H 69 8.320 8.320 8.516 -0.196 25143 3848 1 16 . 1 1 70 70 LEU N N 70 128.488 128.488 121.914 6.574 25143 3849 1 16 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.977 -0.329 25143 3850 1 16 . 1 1 70 70 LEU CA C 70 53.127 53.127 51.778 1.349 25143 3851 1 16 . 1 1 70 70 LEU CB C 70 42.832 42.832 44.244 -1.412 25143 3852 1 16 . 1 1 70 70 LEU H H 70 8.677 8.677 8.156 0.521 25143 3853 1 16 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.388 -0.112 25143 3854 1 16 . 1 1 71 71 PRO CA C 71 64.790 64.790 65.256 -0.466 25143 3855 1 16 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.755 -0.295 25143 3856 1 16 . 1 1 72 72 CYS N N 72 112.135 112.135 117.971 -5.836 25143 3857 1 16 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.623 -0.349 25143 3858 1 16 . 1 1 72 72 CYS CA C 72 57.194 57.194 58.038 -0.844 25143 3859 1 16 . 1 1 72 72 CYS CB C 72 31.085 31.085 27.040 4.045 25143 3860 1 16 . 1 1 72 72 CYS H H 72 7.204 7.204 7.797 -0.593 25143 3861 1 16 . 1 1 73 73 LEU N N 73 114.341 114.341 121.469 -7.128 25143 3862 1 16 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.988 -0.120 25143 3863 1 16 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.991 0.509 25143 3864 1 16 . 1 1 73 73 LEU CB C 73 37.671 37.671 38.686 -1.015 25143 3865 1 16 . 1 1 73 73 LEU H H 73 8.043 8.043 7.578 0.465 25143 3866 1 16 . 1 1 74 74 HIS N N 74 120.386 120.386 119.258 1.128 25143 3867 1 16 . 1 1 74 74 HIS HA H 74 4.990 4.990 4.955 0.035 25143 3868 1 16 . 1 1 74 74 HIS CA C 74 58.672 58.672 55.032 3.640 25143 3869 1 16 . 1 1 74 74 HIS CB C 74 31.354 31.354 34.145 -2.791 25143 3870 1 16 . 1 1 74 74 HIS H H 74 7.831 7.831 7.959 -0.128 25143 3871 1 16 . 1 1 75 75 THR N N 75 118.963 118.963 118.606 0.357 25143 3872 1 16 . 1 1 75 75 THR HA H 75 4.730 4.730 4.665 0.065 25143 3873 1 16 . 1 1 75 75 THR CA C 75 62.185 62.185 62.480 -0.295 25143 3874 1 16 . 1 1 75 75 THR CB C 75 69.640 69.640 69.720 -0.080 25143 3875 1 16 . 1 1 75 75 THR H H 75 8.889 8.889 8.570 0.319 25143 3876 1 16 . 1 1 76 76 LEU N N 76 128.330 128.330 127.642 0.688 25143 3877 1 16 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.839 1.094 25143 3878 1 16 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.651 -2.142 25143 3879 1 16 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.231 -1.037 25143 3880 1 16 . 1 1 76 76 LEU H H 76 8.767 8.767 8.658 0.110 25143 3881 1 16 . 1 1 77 77 CYS N N 77 119.360 119.360 116.850 2.510 25143 3882 1 16 . 1 1 77 77 CYS HA H 77 4.732 4.732 5.504 -0.772 25143 3883 1 16 . 1 1 77 77 CYS CA C 77 56.870 56.870 55.316 1.554 25143 3884 1 16 . 1 1 77 77 CYS CB C 77 31.698 31.698 30.489 1.209 25143 3885 1 16 . 1 1 77 77 CYS H H 77 9.510 9.510 8.282 1.228 25143 3886 1 16 . 1 1 78 78 SER N N 78 114.841 114.841 117.515 -2.674 25143 3887 1 16 . 1 1 78 78 SER HA H 78 4.037 4.037 4.054 -0.017 25143 3888 1 16 . 1 1 78 78 SER CA C 78 61.756 61.756 61.875 -0.119 25143 3889 1 16 . 1 1 78 78 SER CB C 78 62.254 62.254 62.734 -0.480 25143 3890 1 16 . 1 1 78 78 SER H H 78 8.593 8.593 8.370 0.223 25143 3891 1 16 . 1 1 79 79 GLY N N 79 111.904 111.904 108.950 2.954 25143 3892 1 16 . 1 1 79 79 GLY CA C 79 46.777 46.777 46.992 -0.215 25143 3893 1 16 . 1 1 79 79 GLY H H 79 8.391 8.391 8.593 -0.202 25143 3894 1 16 . 1 1 80 80 CYS N N 80 126.807 126.807 120.583 6.224 25143 3895 1 16 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.301 -0.347 25143 3896 1 16 . 1 1 80 80 CYS CA C 80 65.189 65.189 61.240 3.949 25143 3897 1 16 . 1 1 80 80 CYS CB C 80 28.846 28.846 26.319 2.527 25143 3898 1 16 . 1 1 80 80 CYS H H 80 9.039 9.039 7.554 1.485 25143 3899 1 16 . 1 1 81 81 LEU N N 81 120.440 120.440 123.565 -3.125 25143 3900 1 16 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.339 -0.207 25143 3901 1 16 . 1 1 81 81 LEU CA C 81 57.443 57.443 58.238 -0.795 25143 3902 1 16 . 1 1 81 81 LEU CB C 81 41.782 41.782 42.270 -0.487 25143 3903 1 16 . 1 1 81 81 LEU H H 81 8.109 8.109 7.913 0.196 25143 3904 1 16 . 1 1 82 82 GLU N N 82 120.149 120.149 117.114 3.035 25143 3905 1 16 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.095 -0.058 25143 3906 1 16 . 1 1 82 82 GLU CA C 82 59.319 59.319 58.753 0.566 25143 3907 1 16 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.793 -0.865 25143 3908 1 16 . 1 1 82 82 GLU H H 82 8.432 8.432 8.108 0.324 25143 3909 1 16 . 1 1 83 83 ALA N N 83 120.334 120.334 120.888 -0.554 25143 3910 1 16 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.358 -0.059 25143 3911 1 16 . 1 1 83 83 ALA CA C 83 53.543 53.543 53.629 -0.086 25143 3912 1 16 . 1 1 83 83 ALA CB C 83 18.334 18.334 19.914 -1.580 25143 3913 1 16 . 1 1 83 83 ALA H H 83 7.715 7.715 7.470 0.245 25143 3914 1 16 . 1 1 84 84 SER N N 84 112.368 112.368 114.187 -1.819 25143 3915 1 16 . 1 1 84 84 SER HA H 84 4.494 4.494 4.679 -0.185 25143 3916 1 16 . 1 1 84 84 SER CA C 84 58.210 58.210 57.669 0.541 25143 3917 1 16 . 1 1 84 84 SER CB C 84 63.837 63.837 63.381 0.456 25143 3918 1 16 . 1 1 84 84 SER H H 84 7.570 7.570 8.480 -0.910 25143 3919 1 16 . 1 1 85 85 GLY N N 85 110.612 110.612 110.553 0.059 25143 3920 1 16 . 1 1 85 85 GLY CA C 85 46.841 46.841 45.657 1.184 25143 3921 1 16 . 1 1 85 85 GLY H H 85 7.955 7.955 7.653 0.302 25143 3922 1 16 . 1 1 86 86 MET N N 86 113.856 113.856 118.584 -4.728 25143 3923 1 16 . 1 1 86 86 MET HA H 86 3.804 3.804 4.569 -0.765 25143 3924 1 16 . 1 1 86 86 MET CA C 86 55.160 55.160 55.523 -0.363 25143 3925 1 16 . 1 1 86 86 MET CB C 86 28.494 28.494 32.480 -3.986 25143 3926 1 16 . 1 1 86 86 MET H H 86 8.489 8.489 8.117 0.372 25143 3927 1 16 . 1 1 87 87 GLN N N 87 116.394 116.394 120.976 -4.582 25143 3928 1 16 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.515 -0.066 25143 3929 1 16 . 1 1 87 87 GLN CA C 87 53.404 53.404 54.273 -0.869 25143 3930 1 16 . 1 1 87 87 GLN CB C 87 30.964 30.964 30.445 0.519 25143 3931 1 16 . 1 1 87 87 GLN H H 87 7.188 7.188 7.648 -0.460 25143 3932 1 16 . 1 1 88 88 CYS N N 88 124.484 124.484 124.867 -0.383 25143 3933 1 16 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.479 -0.179 25143 3934 1 16 . 1 1 88 88 CYS CA C 88 57.101 57.101 56.628 0.473 25143 3935 1 16 . 1 1 88 88 CYS CB C 88 31.117 31.117 26.820 4.297 25143 3936 1 16 . 1 1 88 88 CYS H H 88 8.616 8.616 8.809 -0.193 25143 3937 1 16 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.345 0.164 25143 3938 1 16 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.836 -1.121 25143 3939 1 16 . 1 1 89 89 PRO CB C 89 31.717 31.717 31.854 -0.137 25143 3940 1 16 . 1 1 90 90 ILE N N 90 123.484 123.484 118.748 4.736 25143 3941 1 16 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.825 -0.042 25143 3942 1 16 . 1 1 90 90 ILE CA C 90 62.878 62.878 64.073 -1.195 25143 3943 1 16 . 1 1 90 90 ILE CB C 90 37.483 37.483 37.506 -0.023 25143 3944 1 16 . 1 1 90 90 ILE H H 90 8.908 8.908 7.893 1.015 25143 3945 1 16 . 1 1 91 91 CYS N N 91 120.890 120.890 117.280 3.610 25143 3946 1 16 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.369 0.148 25143 3947 1 16 . 1 1 91 91 CYS CA C 91 60.891 60.891 62.039 -1.148 25143 3948 1 16 . 1 1 91 91 CYS CB C 91 31.244 31.244 26.381 4.864 25143 3949 1 16 . 1 1 91 91 CYS H H 91 8.587 8.587 7.626 0.961 25143 3950 1 16 . 1 1 92 92 GLN N N 92 116.563 116.563 118.473 -1.910 25143 3951 1 16 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.177 -0.045 25143 3952 1 16 . 1 1 92 92 GLN CA C 92 56.824 56.824 57.456 -0.632 25143 3953 1 16 . 1 1 92 92 GLN CB C 92 27.216 27.216 29.226 -2.010 25143 3954 1 16 . 1 1 92 92 GLN H H 92 7.787 7.787 7.583 0.204 25143 3955 1 16 . 1 1 93 93 ALA N N 93 125.273 125.273 123.665 1.608 25143 3956 1 16 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.361 0.200 25143 3957 1 16 . 1 1 93 93 ALA CA C 93 50.862 50.862 50.803 0.059 25143 3958 1 16 . 1 1 93 93 ALA CB C 93 18.415 18.415 18.630 -0.215 25143 3959 1 16 . 1 1 93 93 ALA H H 93 8.031 8.031 7.838 0.193 25143 3960 1 16 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.552 -0.014 25143 3961 1 16 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.719 -0.206 25143 3962 1 16 . 1 1 94 94 PRO CB C 94 31.684 31.684 32.360 -0.676 25143 3963 1 16 . 1 1 95 95 TRP N N 95 121.986 121.986 123.643 -1.657 25143 3964 1 16 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.685 0.357 25143 3965 1 16 . 1 1 95 95 TRP CA C 95 54.005 54.005 55.770 -1.764 25143 3966 1 16 . 1 1 95 95 TRP CB C 95 28.846 28.846 30.234 -1.388 25143 3967 1 16 . 1 1 95 95 TRP H H 95 8.012 8.012 8.476 -0.464 25143 3968 1 16 . 1 1 96 96 PRO CA C 96 62.690 62.690 62.783 -0.093 25143 3969 1 16 . 1 1 96 96 PRO CB C 96 31.770 31.770 31.697 0.073 25143 3970 1 16 . 1 1 97 97 LEU N N 97 122.075 122.075 125.954 -3.879 25143 3971 1 16 . 1 1 97 97 LEU HA H 97 4.299 4.299 4.476 -0.177 25143 3972 1 16 . 1 1 97 97 LEU CA C 97 55.206 55.206 54.755 0.451 25143 3973 1 16 . 1 1 97 97 LEU CB C 97 42.046 42.046 41.317 0.729 25143 3974 1 16 . 1 1 97 97 LEU H H 97 8.145 8.145 8.479 -0.334 25143 3975 1 16 . 1 1 98 98 GLY N N 98 110.020 110.020 112.349 -2.329 25143 3976 1 16 . 1 1 98 98 GLY CA C 98 45.085 45.085 44.290 0.795 25143 3977 1 16 . 1 1 98 98 GLY H H 98 8.444 8.444 8.078 0.366 25143 3978 1 16 . 1 1 99 99 ALA N N 99 123.511 123.511 124.550 -1.039 25143 3979 1 16 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.401 -0.102 25143 3980 1 16 . 1 1 99 99 ALA CA C 99 52.249 52.249 52.217 0.032 25143 3981 1 16 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.345 -0.409 25143 3982 1 16 . 1 1 99 99 ALA H H 99 8.176 8.176 8.259 -0.083 25143 3983 1 16 . 1 1 100 100 ASP N N 100 119.098 119.098 121.011 -1.913 25143 3984 1 16 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.753 -0.192 25143 3985 1 16 . 1 1 100 100 ASP CA C 100 53.912 53.912 53.623 0.288 25143 3986 1 16 . 1 1 100 100 ASP CB C 100 40.580 40.580 42.267 -1.688 25143 3987 1 16 . 1 1 100 100 ASP H H 100 8.383 8.383 8.496 -0.113 25143 3988 1 16 . 1 1 101 101 THR N N 101 116.696 116.696 114.640 2.056 25143 3989 1 16 . 1 1 101 101 THR HA H 101 4.517 4.517 4.702 -0.185 25143 3990 1 16 . 1 1 101 101 THR CA C 101 59.551 59.551 59.013 0.538 25143 3991 1 16 . 1 1 101 101 THR CB C 101 69.589 69.589 69.649 -0.060 25143 3992 1 16 . 1 1 101 101 THR H H 101 8.017 8.017 8.035 -0.018 25143 3993 1 16 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.368 -0.032 25143 3994 1 16 . 1 1 102 102 PRO CA C 102 62.884 62.884 63.534 -0.650 25143 3995 1 16 . 1 1 102 102 PRO CB C 102 31.767 31.767 31.632 0.135 25143 3996 1 16 . 1 1 103 103 ALA N N 103 125.184 125.184 122.784 2.400 25143 3997 1 16 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.431 -0.146 25143 3998 1 16 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.368 0.648 25143 3999 1 16 . 1 1 103 103 ALA CB C 103 18.974 18.974 19.579 -0.605 25143 4000 1 16 . 1 1 103 103 ALA H H 103 8.333 8.333 7.805 0.528 25143 4001 1 17 . 1 1 50 50 GLU N N 50 120.583 120.583 123.027 -2.444 25143 4002 1 17 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.606 -0.438 25143 4003 1 17 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.100 0.724 25143 4004 1 17 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.661 -0.943 25143 4005 1 17 . 1 1 50 50 GLU H H 50 8.300 8.300 8.384 -0.084 25143 4006 1 17 . 1 1 51 51 GLU N N 51 121.142 121.142 122.287 -1.145 25143 4007 1 17 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.403 -0.279 25143 4008 1 17 . 1 1 51 51 GLU CA C 51 56.362 56.362 56.471 -0.110 25143 4009 1 17 . 1 1 51 51 GLU CB C 51 29.727 29.727 30.477 -0.750 25143 4010 1 17 . 1 1 51 51 GLU H H 51 8.140 8.140 8.753 -0.613 25143 4011 1 17 . 1 1 52 52 PHE N N 52 120.500 120.500 119.098 1.402 25143 4012 1 17 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.354 0.161 25143 4013 1 17 . 1 1 52 52 PHE CA C 52 57.409 57.409 58.184 -0.775 25143 4014 1 17 . 1 1 52 52 PHE CB C 52 39.326 39.326 38.811 0.515 25143 4015 1 17 . 1 1 52 52 PHE H H 52 8.106 8.106 8.459 -0.353 25143 4016 1 17 . 1 1 53 53 GLN N N 53 121.616 121.616 123.117 -1.501 25143 4017 1 17 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.256 -0.044 25143 4018 1 17 . 1 1 53 53 GLN CA C 53 55.345 55.345 56.848 -1.503 25143 4019 1 17 . 1 1 53 53 GLN CB C 53 29.357 29.357 28.471 0.885 25143 4020 1 17 . 1 1 53 53 GLN H H 53 8.047 8.047 8.413 -0.366 25143 4021 1 17 . 1 1 54 54 PHE N N 54 120.217 120.217 123.629 -3.412 25143 4022 1 17 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.627 0.021 25143 4023 1 17 . 1 1 54 54 PHE CA C 54 56.824 56.824 58.268 -1.444 25143 4024 1 17 . 1 1 54 54 PHE CB C 54 39.522 39.522 40.467 -0.945 25143 4025 1 17 . 1 1 54 54 PHE H H 54 7.956 7.956 8.071 -0.115 25143 4026 1 17 . 1 1 55 55 LEU N N 55 123.391 123.391 126.011 -2.620 25143 4027 1 17 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.211 0.175 25143 4028 1 17 . 1 1 55 55 LEU CA C 55 54.421 54.421 54.838 -0.417 25143 4029 1 17 . 1 1 55 55 LEU CB C 55 43.024 43.024 45.197 -2.173 25143 4030 1 17 . 1 1 55 55 LEU H H 55 8.567 8.567 7.949 0.618 25143 4031 1 17 . 1 1 56 56 ARG N N 56 120.442 120.442 123.064 -2.622 25143 4032 1 17 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.503 0.066 25143 4033 1 17 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.912 -0.359 25143 4034 1 17 . 1 1 56 56 ARG CB C 56 31.817 31.817 32.580 -0.763 25143 4035 1 17 . 1 1 56 56 ARG H H 56 8.101 8.101 7.928 0.173 25143 4036 1 17 . 1 1 57 57 CYS N N 57 123.891 123.891 124.473 -0.582 25143 4037 1 17 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.331 -0.378 25143 4038 1 17 . 1 1 57 57 CYS CA C 57 59.135 59.135 59.883 -0.748 25143 4039 1 17 . 1 1 57 57 CYS CB C 57 31.290 31.290 29.681 1.609 25143 4040 1 17 . 1 1 57 57 CYS H H 57 8.828 8.828 8.606 0.222 25143 4041 1 17 . 1 1 58 58 GLN N N 58 128.172 128.172 127.989 0.183 25143 4042 1 17 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.275 -0.154 25143 4043 1 17 . 1 1 58 58 GLN CA C 58 58.528 58.528 57.983 0.545 25143 4044 1 17 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.653 1.297 25143 4045 1 17 . 1 1 58 58 GLN H H 58 9.222 9.222 8.792 0.430 25143 4046 1 17 . 1 1 59 59 GLN N N 59 121.709 121.709 117.964 3.745 25143 4047 1 17 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.251 0.338 25143 4048 1 17 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.780 -0.171 25143 4049 1 17 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.184 0.533 25143 4050 1 17 . 1 1 59 59 GLN H H 59 9.200 9.200 8.022 1.178 25143 4051 1 17 . 1 1 60 60 CYS N N 60 119.482 119.482 116.788 2.694 25143 4052 1 17 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.725 0.069 25143 4053 1 17 . 1 1 60 60 CYS CA C 60 59.458 59.458 58.641 0.817 25143 4054 1 17 . 1 1 60 60 CYS CB C 60 32.179 32.179 29.509 2.670 25143 4055 1 17 . 1 1 60 60 CYS H H 60 8.566 8.566 7.716 0.850 25143 4056 1 17 . 1 1 61 61 GLN N N 61 115.153 115.153 116.884 -1.731 25143 4057 1 17 . 1 1 61 61 GLN HA H 61 4.153 4.153 4.006 0.147 25143 4058 1 17 . 1 1 61 61 GLN CA C 61 57.979 57.979 57.342 0.637 25143 4059 1 17 . 1 1 61 61 GLN CB C 61 25.342 25.342 26.116 -0.774 25143 4060 1 17 . 1 1 61 61 GLN H H 61 7.672 7.672 8.346 -0.674 25143 4061 1 17 . 1 1 62 62 ALA N N 62 124.669 124.669 119.514 5.155 25143 4062 1 17 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.565 -0.128 25143 4063 1 17 . 1 1 62 62 ALA CA C 62 52.064 52.064 50.552 1.512 25143 4064 1 17 . 1 1 62 62 ALA CB C 62 20.822 20.822 20.880 -0.058 25143 4065 1 17 . 1 1 62 62 ALA H H 62 8.728 8.728 7.566 1.162 25143 4066 1 17 . 1 1 63 63 GLU N N 63 119.649 119.649 119.343 0.306 25143 4067 1 17 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.231 -0.194 25143 4068 1 17 . 1 1 63 63 GLU CA C 63 57.332 57.332 56.642 0.690 25143 4069 1 17 . 1 1 63 63 GLU CB C 63 29.262 29.262 28.791 0.471 25143 4070 1 17 . 1 1 63 63 GLU H H 63 8.523 8.523 8.415 0.108 25143 4071 1 17 . 1 1 64 64 ALA N N 64 128.762 128.762 128.251 0.511 25143 4072 1 17 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.236 0.150 25143 4073 1 17 . 1 1 64 64 ALA CA C 64 50.354 50.354 52.285 -1.931 25143 4074 1 17 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.391 -1.056 25143 4075 1 17 . 1 1 64 64 ALA H H 64 8.581 8.581 8.352 0.229 25143 4076 1 17 . 1 1 65 65 LYS N N 65 122.223 122.223 122.847 -0.624 25143 4077 1 17 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.139 -0.058 25143 4078 1 17 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.093 -1.038 25143 4079 1 17 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.840 -0.534 25143 4080 1 17 . 1 1 65 65 LYS H H 65 8.175 8.175 8.459 -0.284 25143 4081 1 17 . 1 1 66 66 CYS N N 66 117.296 117.296 117.485 -0.189 25143 4082 1 17 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.760 -0.068 25143 4083 1 17 . 1 1 66 66 CYS CA C 66 53.727 53.727 55.628 -1.901 25143 4084 1 17 . 1 1 66 66 CYS H H 66 8.790 8.790 8.018 0.772 25143 4085 1 17 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.453 -0.056 25143 4086 1 17 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.846 -0.017 25143 4087 1 17 . 1 1 67 67 PRO CB C 67 31.785 31.785 30.938 0.847 25143 4088 1 17 . 1 1 68 68 LYS N N 68 121.724 121.724 125.683 -3.959 25143 4089 1 17 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.662 -0.377 25143 4090 1 17 . 1 1 68 68 LYS CA C 68 54.929 54.929 55.026 -0.097 25143 4091 1 17 . 1 1 68 68 LYS CB C 68 33.327 33.327 35.046 -1.719 25143 4092 1 17 . 1 1 68 68 LYS H H 68 8.662 8.662 8.073 0.589 25143 4093 1 17 . 1 1 69 69 LEU N N 69 125.851 125.851 124.498 1.353 25143 4094 1 17 . 1 1 69 69 LEU HA H 69 4.474 4.474 5.060 -0.586 25143 4095 1 17 . 1 1 69 69 LEU CA C 69 54.454 54.454 53.314 1.140 25143 4096 1 17 . 1 1 69 69 LEU CB C 69 41.720 41.720 44.798 -3.078 25143 4097 1 17 . 1 1 69 69 LEU H H 69 8.320 8.320 8.470 -0.150 25143 4098 1 17 . 1 1 70 70 LEU N N 70 128.488 128.488 124.344 4.144 25143 4099 1 17 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.838 -0.190 25143 4100 1 17 . 1 1 70 70 LEU CA C 70 53.127 53.127 52.076 1.051 25143 4101 1 17 . 1 1 70 70 LEU CB C 70 42.832 42.832 41.883 0.949 25143 4102 1 17 . 1 1 70 70 LEU H H 70 8.677 8.677 8.183 0.494 25143 4103 1 17 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.374 -0.098 25143 4104 1 17 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.898 -0.108 25143 4105 1 17 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.562 -0.102 25143 4106 1 17 . 1 1 72 72 CYS N N 72 112.135 112.135 115.734 -3.599 25143 4107 1 17 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.760 -0.486 25143 4108 1 17 . 1 1 72 72 CYS CA C 72 57.194 57.194 57.246 -0.052 25143 4109 1 17 . 1 1 72 72 CYS CB C 72 31.085 31.085 27.806 3.279 25143 4110 1 17 . 1 1 72 72 CYS H H 72 7.204 7.204 7.573 -0.369 25143 4111 1 17 . 1 1 73 73 LEU N N 73 114.341 114.341 122.357 -8.016 25143 4112 1 17 . 1 1 73 73 LEU HA H 73 3.868 3.868 4.027 -0.159 25143 4113 1 17 . 1 1 73 73 LEU CA C 73 56.500 56.500 56.101 0.399 25143 4114 1 17 . 1 1 73 73 LEU CB C 73 37.671 37.671 39.644 -1.972 25143 4115 1 17 . 1 1 73 73 LEU H H 73 8.043 8.043 7.647 0.396 25143 4116 1 17 . 1 1 74 74 HIS N N 74 120.386 120.386 118.003 2.383 25143 4117 1 17 . 1 1 74 74 HIS HA H 74 4.990 4.990 4.817 0.173 25143 4118 1 17 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.382 4.290 25143 4119 1 17 . 1 1 74 74 HIS CB C 74 31.354 31.354 33.793 -2.439 25143 4120 1 17 . 1 1 74 74 HIS H H 74 7.831 7.831 7.816 0.015 25143 4121 1 17 . 1 1 75 75 THR N N 75 118.963 118.963 118.122 0.841 25143 4122 1 17 . 1 1 75 75 THR HA H 75 4.730 4.730 4.569 0.161 25143 4123 1 17 . 1 1 75 75 THR CA C 75 62.185 62.185 61.898 0.287 25143 4124 1 17 . 1 1 75 75 THR CB C 75 69.640 69.640 69.235 0.405 25143 4125 1 17 . 1 1 75 75 THR H H 75 8.889 8.889 8.455 0.434 25143 4126 1 17 . 1 1 76 76 LEU N N 76 128.330 128.330 126.868 1.462 25143 4127 1 17 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.840 1.093 25143 4128 1 17 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.801 -2.292 25143 4129 1 17 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.582 -1.388 25143 4130 1 17 . 1 1 76 76 LEU H H 76 8.767 8.767 8.484 0.283 25143 4131 1 17 . 1 1 77 77 CYS N N 77 119.360 119.360 115.746 3.614 25143 4132 1 17 . 1 1 77 77 CYS HA H 77 4.732 4.732 5.431 -0.699 25143 4133 1 17 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.384 0.486 25143 4134 1 17 . 1 1 77 77 CYS CB C 77 31.698 31.698 31.120 0.578 25143 4135 1 17 . 1 1 77 77 CYS H H 77 9.510 9.510 8.147 1.363 25143 4136 1 17 . 1 1 78 78 SER N N 78 114.841 114.841 117.244 -2.403 25143 4137 1 17 . 1 1 78 78 SER HA H 78 4.037 4.037 4.080 -0.043 25143 4138 1 17 . 1 1 78 78 SER CA C 78 61.756 61.756 62.367 -0.611 25143 4139 1 17 . 1 1 78 78 SER CB C 78 62.254 62.254 62.829 -0.575 25143 4140 1 17 . 1 1 78 78 SER H H 78 8.593 8.593 8.657 -0.064 25143 4141 1 17 . 1 1 79 79 GLY N N 79 111.904 111.904 108.979 2.925 25143 4142 1 17 . 1 1 79 79 GLY CA C 79 46.777 46.777 47.055 -0.278 25143 4143 1 17 . 1 1 79 79 GLY H H 79 8.391 8.391 8.585 -0.195 25143 4144 1 17 . 1 1 80 80 CYS N N 80 126.807 126.807 121.066 5.741 25143 4145 1 17 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.313 -0.359 25143 4146 1 17 . 1 1 80 80 CYS CA C 80 65.189 65.189 62.313 2.876 25143 4147 1 17 . 1 1 80 80 CYS CB C 80 28.846 28.846 26.920 1.926 25143 4148 1 17 . 1 1 80 80 CYS H H 80 9.039 9.039 7.364 1.675 25143 4149 1 17 . 1 1 81 81 LEU N N 81 120.440 120.440 123.177 -2.737 25143 4150 1 17 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.164 -0.032 25143 4151 1 17 . 1 1 81 81 LEU CA C 81 57.443 57.443 58.276 -0.833 25143 4152 1 17 . 1 1 81 81 LEU CB C 81 41.782 41.782 42.189 -0.407 25143 4153 1 17 . 1 1 81 81 LEU H H 81 8.109 8.109 7.842 0.267 25143 4154 1 17 . 1 1 82 82 GLU N N 82 120.149 120.149 117.794 2.355 25143 4155 1 17 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.011 0.026 25143 4156 1 17 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.192 0.127 25143 4157 1 17 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.142 -0.215 25143 4158 1 17 . 1 1 82 82 GLU H H 82 8.432 8.432 8.400 0.032 25143 4159 1 17 . 1 1 83 83 ALA N N 83 120.334 120.334 121.435 -1.101 25143 4160 1 17 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.327 -0.028 25143 4161 1 17 . 1 1 83 83 ALA CA C 83 53.543 53.543 53.436 0.107 25143 4162 1 17 . 1 1 83 83 ALA CB C 83 18.334 18.334 19.181 -0.847 25143 4163 1 17 . 1 1 83 83 ALA H H 83 7.715 7.715 7.677 0.038 25143 4164 1 17 . 1 1 84 84 SER N N 84 112.368 112.368 113.352 -0.984 25143 4165 1 17 . 1 1 84 84 SER HA H 84 4.494 4.494 4.742 -0.248 25143 4166 1 17 . 1 1 84 84 SER CA C 84 58.210 58.210 56.988 1.222 25143 4167 1 17 . 1 1 84 84 SER CB C 84 63.837 63.837 63.408 0.429 25143 4168 1 17 . 1 1 84 84 SER H H 84 7.570 7.570 8.272 -0.702 25143 4169 1 17 . 1 1 85 85 GLY N N 85 110.612 110.612 111.123 -0.511 25143 4170 1 17 . 1 1 85 85 GLY CA C 85 46.841 46.841 45.693 1.148 25143 4171 1 17 . 1 1 85 85 GLY H H 85 7.955 7.955 7.889 0.066 25143 4172 1 17 . 1 1 86 86 MET N N 86 113.856 113.856 119.654 -5.798 25143 4173 1 17 . 1 1 86 86 MET HA H 86 3.804 3.804 4.596 -0.792 25143 4174 1 17 . 1 1 86 86 MET CA C 86 55.160 55.160 55.433 -0.273 25143 4175 1 17 . 1 1 86 86 MET CB C 86 28.494 28.494 32.133 -3.639 25143 4176 1 17 . 1 1 86 86 MET H H 86 8.489 8.489 8.184 0.305 25143 4177 1 17 . 1 1 87 87 GLN N N 87 116.394 116.394 120.372 -3.978 25143 4178 1 17 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.352 0.097 25143 4179 1 17 . 1 1 87 87 GLN CA C 87 53.404 53.404 56.261 -2.857 25143 4180 1 17 . 1 1 87 87 GLN CB C 87 30.964 30.964 30.422 0.542 25143 4181 1 17 . 1 1 87 87 GLN H H 87 7.188 7.188 7.432 -0.244 25143 4182 1 17 . 1 1 88 88 CYS N N 88 124.484 124.484 119.598 4.886 25143 4183 1 17 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.760 -0.460 25143 4184 1 17 . 1 1 88 88 CYS CA C 88 57.101 57.101 54.761 2.340 25143 4185 1 17 . 1 1 88 88 CYS CB C 88 31.117 31.117 28.490 2.627 25143 4186 1 17 . 1 1 88 88 CYS H H 88 8.616 8.616 8.446 0.170 25143 4187 1 17 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.469 0.040 25143 4188 1 17 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.464 -0.749 25143 4189 1 17 . 1 1 89 89 PRO CB C 89 31.717 31.717 32.056 -0.339 25143 4190 1 17 . 1 1 90 90 ILE N N 90 123.484 123.484 118.776 4.708 25143 4191 1 17 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.921 -0.138 25143 4192 1 17 . 1 1 90 90 ILE CA C 90 62.878 62.878 63.730 -0.852 25143 4193 1 17 . 1 1 90 90 ILE CB C 90 37.483 37.483 37.541 -0.058 25143 4194 1 17 . 1 1 90 90 ILE H H 90 8.908 8.908 8.090 0.818 25143 4195 1 17 . 1 1 91 91 CYS N N 91 120.890 120.890 116.969 3.921 25143 4196 1 17 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.404 0.113 25143 4197 1 17 . 1 1 91 91 CYS CA C 91 60.891 60.891 60.290 0.601 25143 4198 1 17 . 1 1 91 91 CYS CB C 91 31.244 31.244 26.416 4.829 25143 4199 1 17 . 1 1 91 91 CYS H H 91 8.587 8.587 7.576 1.011 25143 4200 1 17 . 1 1 92 92 GLN N N 92 116.563 116.563 118.137 -1.574 25143 4201 1 17 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.279 -0.147 25143 4202 1 17 . 1 1 92 92 GLN CA C 92 56.824 56.824 57.062 -0.237 25143 4203 1 17 . 1 1 92 92 GLN CB C 92 27.216 27.216 29.143 -1.927 25143 4204 1 17 . 1 1 92 92 GLN H H 92 7.787 7.787 7.501 0.286 25143 4205 1 17 . 1 1 93 93 ALA N N 93 125.273 125.273 123.579 1.694 25143 4206 1 17 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.503 0.058 25143 4207 1 17 . 1 1 93 93 ALA CA C 93 50.862 50.862 50.459 0.403 25143 4208 1 17 . 1 1 93 93 ALA CB C 93 18.415 18.415 18.639 -0.224 25143 4209 1 17 . 1 1 93 93 ALA H H 93 8.031 8.031 7.505 0.526 25143 4210 1 17 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.641 -0.103 25143 4211 1 17 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.691 -0.179 25143 4212 1 17 . 1 1 94 94 PRO CB C 94 31.684 31.684 32.648 -0.964 25143 4213 1 17 . 1 1 95 95 TRP N N 95 121.986 121.986 120.654 1.332 25143 4214 1 17 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.755 0.287 25143 4215 1 17 . 1 1 95 95 TRP CA C 95 54.005 54.005 55.875 -1.870 25143 4216 1 17 . 1 1 95 95 TRP CB C 95 28.846 28.846 29.675 -0.829 25143 4217 1 17 . 1 1 95 95 TRP H H 95 8.012 8.012 8.478 -0.466 25143 4218 1 17 . 1 1 96 96 PRO CA C 96 62.690 62.690 63.029 -0.339 25143 4219 1 17 . 1 1 96 96 PRO CB C 96 31.770 31.770 30.624 1.146 25143 4220 1 17 . 1 1 97 97 LEU N N 97 122.075 122.075 126.324 -4.249 25143 4221 1 17 . 1 1 97 97 LEU HA H 97 4.299 4.299 4.407 -0.108 25143 4222 1 17 . 1 1 97 97 LEU CA C 97 55.206 55.206 54.775 0.431 25143 4223 1 17 . 1 1 97 97 LEU CB C 97 42.046 42.046 40.794 1.252 25143 4224 1 17 . 1 1 97 97 LEU H H 97 8.145 8.145 8.143 0.002 25143 4225 1 17 . 1 1 98 98 GLY N N 98 110.020 110.020 107.239 2.781 25143 4226 1 17 . 1 1 98 98 GLY CA C 98 45.085 45.085 44.318 0.767 25143 4227 1 17 . 1 1 98 98 GLY H H 98 8.444 8.444 7.612 0.832 25143 4228 1 17 . 1 1 99 99 ALA N N 99 123.511 123.511 123.567 -0.056 25143 4229 1 17 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.080 0.218 25143 4230 1 17 . 1 1 99 99 ALA CA C 99 52.249 52.249 52.574 -0.325 25143 4231 1 17 . 1 1 99 99 ALA CB C 99 18.936 18.936 18.897 0.039 25143 4232 1 17 . 1 1 99 99 ALA H H 99 8.176 8.176 8.134 0.042 25143 4233 1 17 . 1 1 100 100 ASP N N 100 119.098 119.098 118.722 0.376 25143 4234 1 17 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.736 -0.175 25143 4235 1 17 . 1 1 100 100 ASP CA C 100 53.912 53.912 52.971 0.941 25143 4236 1 17 . 1 1 100 100 ASP CB C 100 40.580 40.580 41.861 -1.281 25143 4237 1 17 . 1 1 100 100 ASP H H 100 8.383 8.383 8.311 0.072 25143 4238 1 17 . 1 1 101 101 THR N N 101 116.696 116.696 112.412 4.284 25143 4239 1 17 . 1 1 101 101 THR HA H 101 4.517 4.517 4.452 0.065 25143 4240 1 17 . 1 1 101 101 THR CA C 101 59.551 59.551 60.609 -1.058 25143 4241 1 17 . 1 1 101 101 THR CB C 101 69.589 69.589 68.702 0.887 25143 4242 1 17 . 1 1 101 101 THR H H 101 8.017 8.017 8.076 -0.059 25143 4243 1 17 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.380 -0.044 25143 4244 1 17 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.356 0.528 25143 4245 1 17 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.279 -0.512 25143 4246 1 17 . 1 1 103 103 ALA N N 103 125.184 125.184 122.494 2.690 25143 4247 1 17 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.446 -0.161 25143 4248 1 17 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.469 0.548 25143 4249 1 17 . 1 1 103 103 ALA CB C 103 18.974 18.974 18.293 0.681 25143 4250 1 17 . 1 1 103 103 ALA H H 103 8.333 8.333 8.249 0.084 25143 4251 1 18 . 1 1 50 50 GLU N N 50 120.583 120.583 121.157 -0.574 25143 4252 1 18 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.492 -0.324 25143 4253 1 18 . 1 1 50 50 GLU CA C 50 56.824 56.824 55.870 0.954 25143 4254 1 18 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.806 -1.088 25143 4255 1 18 . 1 1 50 50 GLU H H 50 8.300 8.300 8.174 0.126 25143 4256 1 18 . 1 1 51 51 GLU N N 51 121.142 121.142 118.991 2.151 25143 4257 1 18 . 1 1 51 51 GLU HA H 51 4.124 4.124 3.466 0.658 25143 4258 1 18 . 1 1 51 51 GLU CA C 51 56.362 56.362 56.916 -0.554 25143 4259 1 18 . 1 1 51 51 GLU CB C 51 29.727 29.727 29.701 0.026 25143 4260 1 18 . 1 1 51 51 GLU H H 51 8.140 8.140 8.412 -0.272 25143 4261 1 18 . 1 1 52 52 PHE N N 52 120.500 120.500 119.355 1.145 25143 4262 1 18 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.537 -0.022 25143 4263 1 18 . 1 1 52 52 PHE CA C 52 57.409 57.409 57.790 -0.381 25143 4264 1 18 . 1 1 52 52 PHE CB C 52 39.326 39.326 39.687 -0.361 25143 4265 1 18 . 1 1 52 52 PHE H H 52 8.106 8.106 7.794 0.312 25143 4266 1 18 . 1 1 53 53 GLN N N 53 121.616 121.616 118.841 2.775 25143 4267 1 18 . 1 1 53 53 GLN HA H 53 4.212 4.212 3.453 0.759 25143 4268 1 18 . 1 1 53 53 GLN CA C 53 55.345 55.345 55.290 0.055 25143 4269 1 18 . 1 1 53 53 GLN CB C 53 29.357 29.357 29.578 -0.221 25143 4270 1 18 . 1 1 53 53 GLN H H 53 8.047 8.047 8.313 -0.266 25143 4271 1 18 . 1 1 54 54 PHE N N 54 120.217 120.217 119.577 0.640 25143 4272 1 18 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.737 -0.089 25143 4273 1 18 . 1 1 54 54 PHE CA C 54 56.824 56.824 57.045 -0.221 25143 4274 1 18 . 1 1 54 54 PHE CB C 54 39.522 39.522 38.995 0.527 25143 4275 1 18 . 1 1 54 54 PHE H H 54 7.956 7.956 8.308 -0.352 25143 4276 1 18 . 1 1 55 55 LEU N N 55 123.391 123.391 126.230 -2.839 25143 4277 1 18 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.423 -0.037 25143 4278 1 18 . 1 1 55 55 LEU CA C 55 54.421 54.421 55.398 -0.977 25143 4279 1 18 . 1 1 55 55 LEU CB C 55 43.024 43.024 42.516 0.508 25143 4280 1 18 . 1 1 55 55 LEU H H 55 8.567 8.567 8.452 0.115 25143 4281 1 18 . 1 1 56 56 ARG N N 56 120.442 120.442 124.271 -3.829 25143 4282 1 18 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.522 0.047 25143 4283 1 18 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.066 0.487 25143 4284 1 18 . 1 1 56 56 ARG CB C 56 31.817 31.817 33.162 -1.345 25143 4285 1 18 . 1 1 56 56 ARG H H 56 8.101 8.101 8.113 -0.012 25143 4286 1 18 . 1 1 57 57 CYS N N 57 123.891 123.891 120.374 3.517 25143 4287 1 18 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.541 -0.588 25143 4288 1 18 . 1 1 57 57 CYS CA C 57 59.135 59.135 59.168 -0.033 25143 4289 1 18 . 1 1 57 57 CYS CB C 57 31.290 31.290 29.379 1.911 25143 4290 1 18 . 1 1 57 57 CYS H H 57 8.828 8.828 8.289 0.539 25143 4291 1 18 . 1 1 58 58 GLN N N 58 128.172 128.172 127.723 0.449 25143 4292 1 18 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.070 0.051 25143 4293 1 18 . 1 1 58 58 GLN CA C 58 58.528 58.528 58.263 0.265 25143 4294 1 18 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.586 1.364 25143 4295 1 18 . 1 1 58 58 GLN H H 58 9.222 9.222 8.443 0.779 25143 4296 1 18 . 1 1 59 59 GLN N N 59 121.709 121.709 117.233 4.476 25143 4297 1 18 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.317 0.272 25143 4298 1 18 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.420 0.188 25143 4299 1 18 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.146 0.571 25143 4300 1 18 . 1 1 59 59 GLN H H 59 9.200 9.200 8.108 1.092 25143 4301 1 18 . 1 1 60 60 CYS N N 60 119.482 119.482 116.447 3.035 25143 4302 1 18 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.743 0.051 25143 4303 1 18 . 1 1 60 60 CYS CA C 60 59.458 59.458 58.922 0.536 25143 4304 1 18 . 1 1 60 60 CYS CB C 60 32.179 32.179 30.048 2.131 25143 4305 1 18 . 1 1 60 60 CYS H H 60 8.566 8.566 7.466 1.100 25143 4306 1 18 . 1 1 61 61 GLN N N 61 115.153 115.153 116.736 -1.583 25143 4307 1 18 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.998 0.155 25143 4308 1 18 . 1 1 61 61 GLN CA C 61 57.979 57.979 57.331 0.648 25143 4309 1 18 . 1 1 61 61 GLN CB C 61 25.342 25.342 26.135 -0.793 25143 4310 1 18 . 1 1 61 61 GLN H H 61 7.672 7.672 8.287 -0.615 25143 4311 1 18 . 1 1 62 62 ALA N N 62 124.669 124.669 119.721 4.948 25143 4312 1 18 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.614 -0.177 25143 4313 1 18 . 1 1 62 62 ALA CA C 62 52.064 52.064 50.762 1.302 25143 4314 1 18 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.817 -0.995 25143 4315 1 18 . 1 1 62 62 ALA H H 62 8.728 8.728 7.419 1.309 25143 4316 1 18 . 1 1 63 63 GLU N N 63 119.649 119.649 120.430 -0.781 25143 4317 1 18 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.151 -0.114 25143 4318 1 18 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.123 0.209 25143 4319 1 18 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.491 -0.229 25143 4320 1 18 . 1 1 63 63 GLU H H 63 8.523 8.523 8.616 -0.093 25143 4321 1 18 . 1 1 64 64 ALA N N 64 128.762 128.762 128.170 0.592 25143 4322 1 18 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.212 0.174 25143 4323 1 18 . 1 1 64 64 ALA CA C 64 50.354 50.354 52.469 -2.115 25143 4324 1 18 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.466 -1.131 25143 4325 1 18 . 1 1 64 64 ALA H H 64 8.581 8.581 8.455 0.126 25143 4326 1 18 . 1 1 65 65 LYS N N 65 122.223 122.223 121.700 0.523 25143 4327 1 18 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.089 -0.008 25143 4328 1 18 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.121 -1.067 25143 4329 1 18 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.843 -0.537 25143 4330 1 18 . 1 1 65 65 LYS H H 65 8.175 8.175 8.553 -0.378 25143 4331 1 18 . 1 1 66 66 CYS N N 66 117.296 117.296 115.462 1.834 25143 4332 1 18 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.694 -0.002 25143 4333 1 18 . 1 1 66 66 CYS CA C 66 53.727 53.727 55.982 -2.255 25143 4334 1 18 . 1 1 66 66 CYS H H 66 8.790 8.790 7.781 1.009 25143 4335 1 18 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.442 -0.045 25143 4336 1 18 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.883 -0.054 25143 4337 1 18 . 1 1 67 67 PRO CB C 67 31.785 31.785 30.303 1.482 25143 4338 1 18 . 1 1 68 68 LYS N N 68 121.724 121.724 123.634 -1.910 25143 4339 1 18 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.532 -0.247 25143 4340 1 18 . 1 1 68 68 LYS CA C 68 54.929 54.929 55.114 -0.184 25143 4341 1 18 . 1 1 68 68 LYS CB C 68 33.327 33.327 33.396 -0.069 25143 4342 1 18 . 1 1 68 68 LYS H H 68 8.662 8.662 8.155 0.507 25143 4343 1 18 . 1 1 69 69 LEU N N 69 125.851 125.851 126.161 -0.310 25143 4344 1 18 . 1 1 69 69 LEU HA H 69 4.474 4.474 4.913 -0.439 25143 4345 1 18 . 1 1 69 69 LEU CA C 69 54.454 54.454 54.698 -0.244 25143 4346 1 18 . 1 1 69 69 LEU CB C 69 41.720 41.720 43.531 -1.811 25143 4347 1 18 . 1 1 69 69 LEU H H 69 8.320 8.320 8.526 -0.206 25143 4348 1 18 . 1 1 70 70 LEU N N 70 128.488 128.488 123.968 4.520 25143 4349 1 18 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.938 -0.290 25143 4350 1 18 . 1 1 70 70 LEU CA C 70 53.127 53.127 52.097 1.030 25143 4351 1 18 . 1 1 70 70 LEU CB C 70 42.832 42.832 43.183 -0.351 25143 4352 1 18 . 1 1 70 70 LEU H H 70 8.677 8.677 8.130 0.547 25143 4353 1 18 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.374 -0.098 25143 4354 1 18 . 1 1 71 71 PRO CA C 71 64.790 64.790 65.408 -0.618 25143 4355 1 18 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.769 -0.309 25143 4356 1 18 . 1 1 72 72 CYS N N 72 112.135 112.135 117.550 -5.415 25143 4357 1 18 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.506 -0.232 25143 4358 1 18 . 1 1 72 72 CYS CA C 72 57.194 57.194 57.603 -0.409 25143 4359 1 18 . 1 1 72 72 CYS CB C 72 31.085 31.085 26.681 4.404 25143 4360 1 18 . 1 1 72 72 CYS H H 72 7.204 7.204 7.688 -0.484 25143 4361 1 18 . 1 1 73 73 LEU N N 73 114.341 114.341 119.873 -5.532 25143 4362 1 18 . 1 1 73 73 LEU HA H 73 3.868 3.868 4.027 -0.159 25143 4363 1 18 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.934 0.566 25143 4364 1 18 . 1 1 73 73 LEU CB C 73 37.671 37.671 38.559 -0.888 25143 4365 1 18 . 1 1 73 73 LEU H H 73 8.043 8.043 7.420 0.623 25143 4366 1 18 . 1 1 74 74 HIS N N 74 120.386 120.386 117.458 2.928 25143 4367 1 18 . 1 1 74 74 HIS HA H 74 4.990 4.990 4.851 0.139 25143 4368 1 18 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.451 4.221 25143 4369 1 18 . 1 1 74 74 HIS CB C 74 31.354 31.354 33.577 -2.223 25143 4370 1 18 . 1 1 74 74 HIS H H 74 7.831 7.831 7.628 0.203 25143 4371 1 18 . 1 1 75 75 THR N N 75 118.963 118.963 119.031 -0.068 25143 4372 1 18 . 1 1 75 75 THR HA H 75 4.730 4.730 4.593 0.137 25143 4373 1 18 . 1 1 75 75 THR CA C 75 62.185 62.185 63.063 -0.878 25143 4374 1 18 . 1 1 75 75 THR CB C 75 69.640 69.640 69.130 0.510 25143 4375 1 18 . 1 1 75 75 THR H H 75 8.889 8.889 8.630 0.259 25143 4376 1 18 . 1 1 76 76 LEU N N 76 128.330 128.330 127.047 1.283 25143 4377 1 18 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.873 1.060 25143 4378 1 18 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.608 -2.099 25143 4379 1 18 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.565 -1.371 25143 4380 1 18 . 1 1 76 76 LEU H H 76 8.767 8.767 8.698 0.069 25143 4381 1 18 . 1 1 77 77 CYS N N 77 119.360 119.360 116.302 3.058 25143 4382 1 18 . 1 1 77 77 CYS HA H 77 4.732 4.732 5.436 -0.704 25143 4383 1 18 . 1 1 77 77 CYS CA C 77 56.870 56.870 55.816 1.054 25143 4384 1 18 . 1 1 77 77 CYS CB C 77 31.698 31.698 30.349 1.349 25143 4385 1 18 . 1 1 77 77 CYS H H 77 9.510 9.510 8.176 1.334 25143 4386 1 18 . 1 1 78 78 SER N N 78 114.841 114.841 117.925 -3.084 25143 4387 1 18 . 1 1 78 78 SER HA H 78 4.037 4.037 4.042 -0.005 25143 4388 1 18 . 1 1 78 78 SER CA C 78 61.756 61.756 62.362 -0.606 25143 4389 1 18 . 1 1 78 78 SER CB C 78 62.254 62.254 62.894 -0.640 25143 4390 1 18 . 1 1 78 78 SER H H 78 8.593 8.593 9.063 -0.470 25143 4391 1 18 . 1 1 79 79 GLY N N 79 111.904 111.904 110.760 1.144 25143 4392 1 18 . 1 1 79 79 GLY CA C 79 46.777 46.777 47.152 -0.375 25143 4393 1 18 . 1 1 79 79 GLY H H 79 8.391 8.391 8.761 -0.370 25143 4394 1 18 . 1 1 80 80 CYS N N 80 126.807 126.807 120.666 6.141 25143 4395 1 18 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.246 -0.292 25143 4396 1 18 . 1 1 80 80 CYS CA C 80 65.189 65.189 62.194 2.995 25143 4397 1 18 . 1 1 80 80 CYS CB C 80 28.846 28.846 26.642 2.204 25143 4398 1 18 . 1 1 80 80 CYS H H 80 9.039 9.039 7.817 1.222 25143 4399 1 18 . 1 1 81 81 LEU N N 81 120.440 120.440 122.638 -2.198 25143 4400 1 18 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.301 -0.169 25143 4401 1 18 . 1 1 81 81 LEU CA C 81 57.443 57.443 58.193 -0.750 25143 4402 1 18 . 1 1 81 81 LEU CB C 81 41.782 41.782 42.283 -0.501 25143 4403 1 18 . 1 1 81 81 LEU H H 81 8.109 8.109 7.730 0.379 25143 4404 1 18 . 1 1 82 82 GLU N N 82 120.149 120.149 116.629 3.520 25143 4405 1 18 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.092 -0.055 25143 4406 1 18 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.187 0.133 25143 4407 1 18 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.913 -0.986 25143 4408 1 18 . 1 1 82 82 GLU H H 82 8.432 8.432 8.206 0.226 25143 4409 1 18 . 1 1 83 83 ALA N N 83 120.334 120.334 121.511 -1.177 25143 4410 1 18 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.349 -0.050 25143 4411 1 18 . 1 1 83 83 ALA CA C 83 53.543 53.543 53.927 -0.384 25143 4412 1 18 . 1 1 83 83 ALA CB C 83 18.334 18.334 19.217 -0.883 25143 4413 1 18 . 1 1 83 83 ALA H H 83 7.715 7.715 7.948 -0.233 25143 4414 1 18 . 1 1 84 84 SER N N 84 112.368 112.368 112.887 -0.519 25143 4415 1 18 . 1 1 84 84 SER HA H 84 4.494 4.494 4.692 -0.198 25143 4416 1 18 . 1 1 84 84 SER CA C 84 58.210 58.210 56.592 1.618 25143 4417 1 18 . 1 1 84 84 SER CB C 84 63.837 63.837 63.158 0.679 25143 4418 1 18 . 1 1 84 84 SER H H 84 7.570 7.570 8.078 -0.508 25143 4419 1 18 . 1 1 85 85 GLY N N 85 110.612 110.612 109.952 0.660 25143 4420 1 18 . 1 1 85 85 GLY CA C 85 46.841 46.841 45.356 1.485 25143 4421 1 18 . 1 1 85 85 GLY H H 85 7.955 7.955 7.366 0.589 25143 4422 1 18 . 1 1 86 86 MET N N 86 113.856 113.856 121.435 -7.579 25143 4423 1 18 . 1 1 86 86 MET HA H 86 3.804 3.804 4.440 -0.636 25143 4424 1 18 . 1 1 86 86 MET CA C 86 55.160 55.160 55.069 0.091 25143 4425 1 18 . 1 1 86 86 MET CB C 86 28.494 28.494 32.480 -3.986 25143 4426 1 18 . 1 1 86 86 MET H H 86 8.489 8.489 8.320 0.169 25143 4427 1 18 . 1 1 87 87 GLN N N 87 116.394 116.394 119.156 -2.762 25143 4428 1 18 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.373 0.076 25143 4429 1 18 . 1 1 87 87 GLN CA C 87 53.404 53.404 54.705 -1.301 25143 4430 1 18 . 1 1 87 87 GLN CB C 87 30.964 30.964 30.950 0.014 25143 4431 1 18 . 1 1 87 87 GLN H H 87 7.188 7.188 7.360 -0.172 25143 4432 1 18 . 1 1 88 88 CYS N N 88 124.484 124.484 124.694 -0.210 25143 4433 1 18 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.356 -0.057 25143 4434 1 18 . 1 1 88 88 CYS CA C 88 57.101 57.101 57.180 -0.079 25143 4435 1 18 . 1 1 88 88 CYS CB C 88 31.117 31.117 28.594 2.523 25143 4436 1 18 . 1 1 88 88 CYS H H 88 8.616 8.616 8.518 0.098 25143 4437 1 18 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.410 0.099 25143 4438 1 18 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.510 -0.795 25143 4439 1 18 . 1 1 89 89 PRO CB C 89 31.717 31.717 32.581 -0.864 25143 4440 1 18 . 1 1 90 90 ILE N N 90 123.484 123.484 117.470 6.014 25143 4441 1 18 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.867 -0.084 25143 4442 1 18 . 1 1 90 90 ILE CA C 90 62.878 62.878 64.385 -1.507 25143 4443 1 18 . 1 1 90 90 ILE CB C 90 37.483 37.483 38.123 -0.640 25143 4444 1 18 . 1 1 90 90 ILE H H 90 8.908 8.908 8.117 0.791 25143 4445 1 18 . 1 1 91 91 CYS N N 91 120.890 120.890 114.489 6.401 25143 4446 1 18 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.137 0.380 25143 4447 1 18 . 1 1 91 91 CYS CA C 91 60.891 60.891 60.645 0.246 25143 4448 1 18 . 1 1 91 91 CYS CB C 91 31.244 31.244 26.507 4.737 25143 4449 1 18 . 1 1 91 91 CYS H H 91 8.587 8.587 7.795 0.792 25143 4450 1 18 . 1 1 92 92 GLN N N 92 116.563 116.563 118.814 -2.251 25143 4451 1 18 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.229 -0.097 25143 4452 1 18 . 1 1 92 92 GLN CA C 92 56.824 56.824 56.509 0.315 25143 4453 1 18 . 1 1 92 92 GLN CB C 92 27.216 27.216 30.134 -2.918 25143 4454 1 18 . 1 1 92 92 GLN H H 92 7.787 7.787 7.372 0.415 25143 4455 1 18 . 1 1 93 93 ALA N N 93 125.273 125.273 123.340 1.933 25143 4456 1 18 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.595 -0.034 25143 4457 1 18 . 1 1 93 93 ALA CA C 93 50.862 50.862 49.736 1.126 25143 4458 1 18 . 1 1 93 93 ALA CB C 93 18.415 18.415 18.940 -0.525 25143 4459 1 18 . 1 1 93 93 ALA H H 93 8.031 8.031 7.412 0.619 25143 4460 1 18 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.306 0.232 25143 4461 1 18 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.336 0.177 25143 4462 1 18 . 1 1 94 94 PRO CB C 94 31.684 31.684 32.355 -0.671 25143 4463 1 18 . 1 1 95 95 TRP N N 95 121.986 121.986 121.947 0.039 25143 4464 1 18 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.658 0.384 25143 4465 1 18 . 1 1 95 95 TRP CA C 95 54.005 54.005 55.955 -1.950 25143 4466 1 18 . 1 1 95 95 TRP CB C 95 28.846 28.846 28.595 0.251 25143 4467 1 18 . 1 1 95 95 TRP H H 95 8.012 8.012 8.114 -0.102 25143 4468 1 18 . 1 1 96 96 PRO CA C 96 62.690 62.690 62.595 0.095 25143 4469 1 18 . 1 1 96 96 PRO CB C 96 31.770 31.770 32.723 -0.953 25143 4470 1 18 . 1 1 97 97 LEU N N 97 122.075 122.075 117.573 4.502 25143 4471 1 18 . 1 1 97 97 LEU HA H 97 4.299 4.299 3.871 0.428 25143 4472 1 18 . 1 1 97 97 LEU CA C 97 55.206 55.206 56.607 -1.401 25143 4473 1 18 . 1 1 97 97 LEU CB C 97 42.046 42.046 41.007 1.039 25143 4474 1 18 . 1 1 97 97 LEU H H 97 8.145 8.145 8.571 -0.426 25143 4475 1 18 . 1 1 98 98 GLY N N 98 110.020 110.020 105.590 4.430 25143 4476 1 18 . 1 1 98 98 GLY CA C 98 45.085 45.085 44.836 0.249 25143 4477 1 18 . 1 1 98 98 GLY H H 98 8.444 8.444 8.398 0.046 25143 4478 1 18 . 1 1 99 99 ALA N N 99 123.511 123.511 123.504 0.007 25143 4479 1 18 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.628 -0.329 25143 4480 1 18 . 1 1 99 99 ALA CA C 99 52.249 52.249 51.847 0.402 25143 4481 1 18 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.608 -0.672 25143 4482 1 18 . 1 1 99 99 ALA H H 99 8.176 8.176 7.714 0.462 25143 4483 1 18 . 1 1 100 100 ASP N N 100 119.098 119.098 119.782 -0.684 25143 4484 1 18 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.552 0.009 25143 4485 1 18 . 1 1 100 100 ASP CA C 100 53.912 53.912 54.297 -0.385 25143 4486 1 18 . 1 1 100 100 ASP CB C 100 40.580 40.580 41.416 -0.836 25143 4487 1 18 . 1 1 100 100 ASP H H 100 8.383 8.383 8.231 0.152 25143 4488 1 18 . 1 1 101 101 THR N N 101 116.696 116.696 114.015 2.681 25143 4489 1 18 . 1 1 101 101 THR HA H 101 4.517 4.517 4.716 -0.199 25143 4490 1 18 . 1 1 101 101 THR CA C 101 59.551 59.551 59.695 -0.144 25143 4491 1 18 . 1 1 101 101 THR CB C 101 69.589 69.589 69.306 0.283 25143 4492 1 18 . 1 1 101 101 THR H H 101 8.017 8.017 7.833 0.184 25143 4493 1 18 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.414 -0.078 25143 4494 1 18 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.384 0.500 25143 4495 1 18 . 1 1 102 102 PRO CB C 102 31.767 31.767 31.981 -0.214 25143 4496 1 18 . 1 1 103 103 ALA N N 103 125.184 125.184 122.266 2.918 25143 4497 1 18 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.365 -0.080 25143 4498 1 18 . 1 1 103 103 ALA CA C 103 52.017 52.017 52.121 -0.104 25143 4499 1 18 . 1 1 103 103 ALA CB C 103 18.974 18.974 19.505 -0.531 25143 4500 1 18 . 1 1 103 103 ALA H H 103 8.333 8.333 8.068 0.265 25143 4501 1 19 . 1 1 50 50 GLU N N 50 120.583 120.583 121.976 -1.393 25143 4502 1 19 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.504 -0.336 25143 4503 1 19 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.684 0.140 25143 4504 1 19 . 1 1 50 50 GLU CB C 50 29.718 29.718 29.320 0.398 25143 4505 1 19 . 1 1 50 50 GLU H H 50 8.300 8.300 8.589 -0.289 25143 4506 1 19 . 1 1 51 51 GLU N N 51 121.142 121.142 124.018 -2.876 25143 4507 1 19 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.453 -0.329 25143 4508 1 19 . 1 1 51 51 GLU CA C 51 56.362 56.362 56.560 -0.198 25143 4509 1 19 . 1 1 51 51 GLU CB C 51 29.727 29.727 30.679 -0.952 25143 4510 1 19 . 1 1 51 51 GLU H H 51 8.140 8.140 8.531 -0.391 25143 4511 1 19 . 1 1 52 52 PHE N N 52 120.500 120.500 121.341 -0.841 25143 4512 1 19 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.186 0.329 25143 4513 1 19 . 1 1 52 52 PHE CA C 52 57.409 57.409 59.027 -1.618 25143 4514 1 19 . 1 1 52 52 PHE CB C 52 39.326 39.326 39.164 0.162 25143 4515 1 19 . 1 1 52 52 PHE H H 52 8.106 8.106 8.433 -0.327 25143 4516 1 19 . 1 1 53 53 GLN N N 53 121.616 121.616 120.665 0.951 25143 4517 1 19 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.539 -0.327 25143 4518 1 19 . 1 1 53 53 GLN CA C 53 55.345 55.345 55.117 0.228 25143 4519 1 19 . 1 1 53 53 GLN CB C 53 29.357 29.357 28.588 0.769 25143 4520 1 19 . 1 1 53 53 GLN H H 53 8.047 8.047 7.992 0.055 25143 4521 1 19 . 1 1 54 54 PHE N N 54 120.217 120.217 121.163 -0.946 25143 4522 1 19 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.856 -0.208 25143 4523 1 19 . 1 1 54 54 PHE CA C 54 56.824 56.824 57.481 -0.657 25143 4524 1 19 . 1 1 54 54 PHE CB C 54 39.522 39.522 40.495 -0.973 25143 4525 1 19 . 1 1 54 54 PHE H H 54 7.956 7.956 8.555 -0.599 25143 4526 1 19 . 1 1 55 55 LEU N N 55 123.391 123.391 124.434 -1.043 25143 4527 1 19 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.921 -0.535 25143 4528 1 19 . 1 1 55 55 LEU CA C 55 54.421 54.421 54.197 0.224 25143 4529 1 19 . 1 1 55 55 LEU CB C 55 43.024 43.024 44.029 -1.005 25143 4530 1 19 . 1 1 55 55 LEU H H 55 8.567 8.567 8.787 -0.220 25143 4531 1 19 . 1 1 56 56 ARG N N 56 120.442 120.442 120.638 -0.196 25143 4532 1 19 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.765 -0.196 25143 4533 1 19 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.934 -0.381 25143 4534 1 19 . 1 1 56 56 ARG CB C 56 31.817 31.817 33.288 -1.471 25143 4535 1 19 . 1 1 56 56 ARG H H 56 8.101 8.101 8.449 -0.348 25143 4536 1 19 . 1 1 57 57 CYS N N 57 123.891 123.891 122.236 1.655 25143 4537 1 19 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.526 -0.573 25143 4538 1 19 . 1 1 57 57 CYS CA C 57 59.135 59.135 58.209 0.926 25143 4539 1 19 . 1 1 57 57 CYS CB C 57 31.290 31.290 29.983 1.307 25143 4540 1 19 . 1 1 57 57 CYS H H 57 8.828 8.828 8.525 0.303 25143 4541 1 19 . 1 1 58 58 GLN N N 58 128.172 128.172 128.024 0.148 25143 4542 1 19 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.068 0.053 25143 4543 1 19 . 1 1 58 58 GLN CA C 58 58.528 58.528 58.485 0.043 25143 4544 1 19 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.861 1.089 25143 4545 1 19 . 1 1 58 58 GLN H H 58 9.222 9.222 8.839 0.383 25143 4546 1 19 . 1 1 59 59 GLN N N 59 121.709 121.709 118.492 3.217 25143 4547 1 19 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.250 0.339 25143 4548 1 19 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.612 -0.003 25143 4549 1 19 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.164 0.553 25143 4550 1 19 . 1 1 59 59 GLN H H 59 9.200 9.200 8.353 0.847 25143 4551 1 19 . 1 1 60 60 CYS N N 60 119.482 119.482 116.223 3.259 25143 4552 1 19 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.675 0.119 25143 4553 1 19 . 1 1 60 60 CYS CA C 60 59.458 59.458 58.607 0.851 25143 4554 1 19 . 1 1 60 60 CYS CB C 60 32.179 32.179 29.943 2.236 25143 4555 1 19 . 1 1 60 60 CYS H H 60 8.566 8.566 7.580 0.986 25143 4556 1 19 . 1 1 61 61 GLN N N 61 115.153 115.153 117.884 -2.731 25143 4557 1 19 . 1 1 61 61 GLN HA H 61 4.153 4.153 4.061 0.092 25143 4558 1 19 . 1 1 61 61 GLN CA C 61 57.979 57.979 57.291 0.688 25143 4559 1 19 . 1 1 61 61 GLN CB C 61 25.342 25.342 27.261 -1.919 25143 4560 1 19 . 1 1 61 61 GLN H H 61 7.672 7.672 8.300 -0.628 25143 4561 1 19 . 1 1 62 62 ALA N N 62 124.669 124.669 120.197 4.472 25143 4562 1 19 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.625 -0.188 25143 4563 1 19 . 1 1 62 62 ALA CA C 62 52.064 52.064 50.610 1.454 25143 4564 1 19 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.530 -0.708 25143 4565 1 19 . 1 1 62 62 ALA H H 62 8.728 8.728 7.584 1.144 25143 4566 1 19 . 1 1 63 63 GLU N N 63 119.649 119.649 120.208 -0.559 25143 4567 1 19 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.219 -0.182 25143 4568 1 19 . 1 1 63 63 GLU CA C 63 57.332 57.332 56.463 0.869 25143 4569 1 19 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.500 -0.238 25143 4570 1 19 . 1 1 63 63 GLU H H 63 8.523 8.523 8.543 -0.020 25143 4571 1 19 . 1 1 64 64 ALA N N 64 128.762 128.762 128.658 0.104 25143 4572 1 19 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.252 0.134 25143 4573 1 19 . 1 1 64 64 ALA CA C 64 50.354 50.354 52.321 -1.967 25143 4574 1 19 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.176 -0.841 25143 4575 1 19 . 1 1 64 64 ALA H H 64 8.581 8.581 8.625 -0.044 25143 4576 1 19 . 1 1 65 65 LYS N N 65 122.223 122.223 122.592 -0.369 25143 4577 1 19 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.048 0.033 25143 4578 1 19 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.199 -1.143 25143 4579 1 19 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.784 -0.478 25143 4580 1 19 . 1 1 65 65 LYS H H 65 8.175 8.175 8.690 -0.515 25143 4581 1 19 . 1 1 66 66 CYS N N 66 117.296 117.296 115.652 1.644 25143 4582 1 19 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.695 -0.003 25143 4583 1 19 . 1 1 66 66 CYS CA C 66 53.727 53.727 55.900 -2.173 25143 4584 1 19 . 1 1 66 66 CYS H H 66 8.790 8.790 7.818 0.972 25143 4585 1 19 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.483 -0.086 25143 4586 1 19 . 1 1 67 67 PRO CA C 67 62.829 62.829 63.148 -0.319 25143 4587 1 19 . 1 1 67 67 PRO CB C 67 31.785 31.785 31.615 0.170 25143 4588 1 19 . 1 1 68 68 LYS N N 68 121.724 121.724 125.862 -4.138 25143 4589 1 19 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.673 -0.388 25143 4590 1 19 . 1 1 68 68 LYS CA C 68 54.929 54.929 54.823 0.106 25143 4591 1 19 . 1 1 68 68 LYS CB C 68 33.327 33.327 34.014 -0.687 25143 4592 1 19 . 1 1 68 68 LYS H H 68 8.662 8.662 8.195 0.467 25143 4593 1 19 . 1 1 69 69 LEU N N 69 125.851 125.851 122.475 3.376 25143 4594 1 19 . 1 1 69 69 LEU HA H 69 4.474 4.474 5.298 -0.824 25143 4595 1 19 . 1 1 69 69 LEU CA C 69 54.454 54.454 53.743 0.711 25143 4596 1 19 . 1 1 69 69 LEU CB C 69 41.720 41.720 43.177 -1.457 25143 4597 1 19 . 1 1 69 69 LEU H H 69 8.320 8.320 8.396 -0.076 25143 4598 1 19 . 1 1 70 70 LEU N N 70 128.488 128.488 121.819 6.669 25143 4599 1 19 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.957 -0.309 25143 4600 1 19 . 1 1 70 70 LEU CA C 70 53.127 53.127 52.018 1.109 25143 4601 1 19 . 1 1 70 70 LEU CB C 70 42.832 42.832 43.855 -1.023 25143 4602 1 19 . 1 1 70 70 LEU H H 70 8.677 8.677 8.232 0.445 25143 4603 1 19 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.402 -0.126 25143 4604 1 19 . 1 1 71 71 PRO CA C 71 64.790 64.790 65.111 -0.321 25143 4605 1 19 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.926 -0.466 25143 4606 1 19 . 1 1 72 72 CYS N N 72 112.135 112.135 118.104 -5.969 25143 4607 1 19 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.610 -0.336 25143 4608 1 19 . 1 1 72 72 CYS CA C 72 57.194 57.194 58.441 -1.247 25143 4609 1 19 . 1 1 72 72 CYS CB C 72 31.085 31.085 27.336 3.749 25143 4610 1 19 . 1 1 72 72 CYS H H 72 7.204 7.204 7.762 -0.558 25143 4611 1 19 . 1 1 73 73 LEU N N 73 114.341 114.341 121.124 -6.783 25143 4612 1 19 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.992 -0.124 25143 4613 1 19 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.870 0.631 25143 4614 1 19 . 1 1 73 73 LEU CB C 73 37.671 37.671 38.791 -1.120 25143 4615 1 19 . 1 1 73 73 LEU H H 73 8.043 8.043 7.579 0.464 25143 4616 1 19 . 1 1 74 74 HIS N N 74 120.386 120.386 118.256 2.130 25143 4617 1 19 . 1 1 74 74 HIS HA H 74 4.990 4.990 4.938 0.052 25143 4618 1 19 . 1 1 74 74 HIS CA C 74 58.672 58.672 55.045 3.627 25143 4619 1 19 . 1 1 74 74 HIS CB C 74 31.354 31.354 33.962 -2.608 25143 4620 1 19 . 1 1 74 74 HIS H H 74 7.831 7.831 7.778 0.053 25143 4621 1 19 . 1 1 75 75 THR N N 75 118.963 118.963 117.789 1.174 25143 4622 1 19 . 1 1 75 75 THR HA H 75 4.730 4.730 4.690 0.040 25143 4623 1 19 . 1 1 75 75 THR CA C 75 62.185 62.185 62.474 -0.289 25143 4624 1 19 . 1 1 75 75 THR CB C 75 69.640 69.640 69.552 0.088 25143 4625 1 19 . 1 1 75 75 THR H H 75 8.889 8.889 8.664 0.225 25143 4626 1 19 . 1 1 76 76 LEU N N 76 128.330 128.330 126.898 1.432 25143 4627 1 19 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.988 0.945 25143 4628 1 19 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.873 -2.364 25143 4629 1 19 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.493 -1.299 25143 4630 1 19 . 1 1 76 76 LEU H H 76 8.767 8.767 8.756 0.011 25143 4631 1 19 . 1 1 77 77 CYS N N 77 119.360 119.360 116.712 2.648 25143 4632 1 19 . 1 1 77 77 CYS HA H 77 4.732 4.732 5.514 -0.782 25143 4633 1 19 . 1 1 77 77 CYS CA C 77 56.870 56.870 54.908 1.962 25143 4634 1 19 . 1 1 77 77 CYS CB C 77 31.698 31.698 30.921 0.777 25143 4635 1 19 . 1 1 77 77 CYS H H 77 9.510 9.510 8.232 1.278 25143 4636 1 19 . 1 1 78 78 SER N N 78 114.841 114.841 117.838 -2.997 25143 4637 1 19 . 1 1 78 78 SER HA H 78 4.037 4.037 4.045 -0.008 25143 4638 1 19 . 1 1 78 78 SER CA C 78 61.756 61.756 62.065 -0.308 25143 4639 1 19 . 1 1 78 78 SER CB C 78 62.254 62.254 62.602 -0.348 25143 4640 1 19 . 1 1 78 78 SER H H 78 8.593 8.593 8.496 0.097 25143 4641 1 19 . 1 1 79 79 GLY N N 79 111.904 111.904 109.556 2.348 25143 4642 1 19 . 1 1 79 79 GLY CA C 79 46.777 46.777 46.845 -0.068 25143 4643 1 19 . 1 1 79 79 GLY H H 79 8.391 8.391 8.544 -0.153 25143 4644 1 19 . 1 1 80 80 CYS N N 80 126.807 126.807 120.797 6.010 25143 4645 1 19 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.112 -0.159 25143 4646 1 19 . 1 1 80 80 CYS CA C 80 65.189 65.189 63.372 1.817 25143 4647 1 19 . 1 1 80 80 CYS CB C 80 28.846 28.846 27.715 1.131 25143 4648 1 19 . 1 1 80 80 CYS H H 80 9.039 9.039 7.417 1.622 25143 4649 1 19 . 1 1 81 81 LEU N N 81 120.440 120.440 122.971 -2.531 25143 4650 1 19 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.174 -0.042 25143 4651 1 19 . 1 1 81 81 LEU CA C 81 57.443 57.443 58.264 -0.821 25143 4652 1 19 . 1 1 81 81 LEU CB C 81 41.782 41.782 42.259 -0.477 25143 4653 1 19 . 1 1 81 81 LEU H H 81 8.109 8.109 8.567 -0.458 25143 4654 1 19 . 1 1 82 82 GLU N N 82 120.149 120.149 116.936 3.213 25143 4655 1 19 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.080 -0.043 25143 4656 1 19 . 1 1 82 82 GLU CA C 82 59.319 59.319 58.764 0.555 25143 4657 1 19 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.601 -0.674 25143 4658 1 19 . 1 1 82 82 GLU H H 82 8.432 8.432 8.449 -0.017 25143 4659 1 19 . 1 1 83 83 ALA N N 83 120.334 120.334 121.523 -1.189 25143 4660 1 19 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.302 -0.003 25143 4661 1 19 . 1 1 83 83 ALA CA C 83 53.543 53.543 54.060 -0.517 25143 4662 1 19 . 1 1 83 83 ALA CB C 83 18.334 18.334 19.531 -1.197 25143 4663 1 19 . 1 1 83 83 ALA H H 83 7.715 7.715 7.572 0.143 25143 4664 1 19 . 1 1 84 84 SER N N 84 112.368 112.368 113.850 -1.482 25143 4665 1 19 . 1 1 84 84 SER HA H 84 4.494 4.494 4.646 -0.152 25143 4666 1 19 . 1 1 84 84 SER CA C 84 58.210 58.210 58.138 0.072 25143 4667 1 19 . 1 1 84 84 SER CB C 84 63.837 63.837 63.325 0.512 25143 4668 1 19 . 1 1 84 84 SER H H 84 7.570 7.570 8.461 -0.891 25143 4669 1 19 . 1 1 85 85 GLY N N 85 110.612 110.612 110.429 0.183 25143 4670 1 19 . 1 1 85 85 GLY CA C 85 46.841 46.841 45.304 1.537 25143 4671 1 19 . 1 1 85 85 GLY H H 85 7.955 7.955 7.487 0.468 25143 4672 1 19 . 1 1 86 86 MET N N 86 113.856 113.856 121.938 -8.082 25143 4673 1 19 . 1 1 86 86 MET HA H 86 3.804 3.804 4.481 -0.677 25143 4674 1 19 . 1 1 86 86 MET CA C 86 55.160 55.160 55.147 0.013 25143 4675 1 19 . 1 1 86 86 MET CB C 86 28.494 28.494 32.019 -3.525 25143 4676 1 19 . 1 1 86 86 MET H H 86 8.489 8.489 8.305 0.184 25143 4677 1 19 . 1 1 87 87 GLN N N 87 116.394 116.394 119.071 -2.677 25143 4678 1 19 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.577 -0.128 25143 4679 1 19 . 1 1 87 87 GLN CA C 87 53.404 53.404 54.601 -1.197 25143 4680 1 19 . 1 1 87 87 GLN CB C 87 30.964 30.964 31.916 -0.952 25143 4681 1 19 . 1 1 87 87 GLN H H 87 7.188 7.188 7.454 -0.266 25143 4682 1 19 . 1 1 88 88 CYS N N 88 124.484 124.484 119.007 5.477 25143 4683 1 19 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.742 -0.442 25143 4684 1 19 . 1 1 88 88 CYS CA C 88 57.101 57.101 55.047 2.054 25143 4685 1 19 . 1 1 88 88 CYS CB C 88 31.117 31.117 28.756 2.361 25143 4686 1 19 . 1 1 88 88 CYS H H 88 8.616 8.616 8.419 0.197 25143 4687 1 19 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.309 0.200 25143 4688 1 19 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.730 -1.015 25143 4689 1 19 . 1 1 89 89 PRO CB C 89 31.717 31.717 31.797 -0.080 25143 4690 1 19 . 1 1 90 90 ILE N N 90 123.484 123.484 118.601 4.883 25143 4691 1 19 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.911 -0.128 25143 4692 1 19 . 1 1 90 90 ILE CA C 90 62.878 62.878 63.528 -0.650 25143 4693 1 19 . 1 1 90 90 ILE CB C 90 37.483 37.483 37.471 0.012 25143 4694 1 19 . 1 1 90 90 ILE H H 90 8.908 8.908 7.843 1.065 25143 4695 1 19 . 1 1 91 91 CYS N N 91 120.890 120.890 116.994 3.896 25143 4696 1 19 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.260 0.257 25143 4697 1 19 . 1 1 91 91 CYS CA C 91 60.891 60.891 61.244 -0.353 25143 4698 1 19 . 1 1 91 91 CYS CB C 91 31.244 31.244 27.466 3.778 25143 4699 1 19 . 1 1 91 91 CYS H H 91 8.587 8.587 7.481 1.106 25143 4700 1 19 . 1 1 92 92 GLN N N 92 116.563 116.563 118.920 -2.357 25143 4701 1 19 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.116 0.016 25143 4702 1 19 . 1 1 92 92 GLN CA C 92 56.824 56.824 57.383 -0.559 25143 4703 1 19 . 1 1 92 92 GLN CB C 92 27.216 27.216 28.939 -1.722 25143 4704 1 19 . 1 1 92 92 GLN H H 92 7.787 7.787 7.551 0.236 25143 4705 1 19 . 1 1 93 93 ALA N N 93 125.273 125.273 122.486 2.787 25143 4706 1 19 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.250 0.311 25143 4707 1 19 . 1 1 93 93 ALA CA C 93 50.862 50.862 51.071 -0.209 25143 4708 1 19 . 1 1 93 93 ALA CB C 93 18.415 18.415 18.772 -0.357 25143 4709 1 19 . 1 1 93 93 ALA H H 93 8.031 8.031 7.401 0.630 25143 4710 1 19 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.226 0.312 25143 4711 1 19 . 1 1 94 94 PRO CA C 94 62.513 62.513 63.471 -0.959 25143 4712 1 19 . 1 1 94 94 PRO CB C 94 31.684 31.684 31.761 -0.077 25143 4713 1 19 . 1 1 95 95 TRP N N 95 121.986 121.986 121.920 0.066 25143 4714 1 19 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.790 0.252 25143 4715 1 19 . 1 1 95 95 TRP CA C 95 54.005 54.005 54.875 -0.870 25143 4716 1 19 . 1 1 95 95 TRP CB C 95 28.846 28.846 29.061 -0.215 25143 4717 1 19 . 1 1 95 95 TRP H H 95 8.012 8.012 7.561 0.451 25143 4718 1 19 . 1 1 96 96 PRO CA C 96 62.690 62.690 62.280 0.410 25143 4719 1 19 . 1 1 96 96 PRO CB C 96 31.770 31.770 32.850 -1.081 25143 4720 1 19 . 1 1 97 97 LEU N N 97 122.075 122.075 121.136 0.939 25143 4721 1 19 . 1 1 97 97 LEU HA H 97 4.299 4.299 4.073 0.226 25143 4722 1 19 . 1 1 97 97 LEU CA C 97 55.206 55.206 56.102 -0.896 25143 4723 1 19 . 1 1 97 97 LEU CB C 97 42.046 42.046 42.014 0.032 25143 4724 1 19 . 1 1 97 97 LEU H H 97 8.145 8.145 8.421 -0.276 25143 4725 1 19 . 1 1 98 98 GLY N N 98 110.020 110.020 107.568 2.452 25143 4726 1 19 . 1 1 98 98 GLY CA C 98 45.085 45.085 45.274 -0.189 25143 4727 1 19 . 1 1 98 98 GLY H H 98 8.444 8.444 7.894 0.550 25143 4728 1 19 . 1 1 99 99 ALA N N 99 123.511 123.511 125.150 -1.639 25143 4729 1 19 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.416 -0.117 25143 4730 1 19 . 1 1 99 99 ALA CA C 99 52.249 52.249 52.016 0.233 25143 4731 1 19 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.745 -0.809 25143 4732 1 19 . 1 1 99 99 ALA H H 99 8.176 8.176 8.501 -0.325 25143 4733 1 19 . 1 1 100 100 ASP N N 100 119.098 119.098 118.597 0.501 25143 4734 1 19 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.825 -0.264 25143 4735 1 19 . 1 1 100 100 ASP CA C 100 53.912 53.912 53.566 0.346 25143 4736 1 19 . 1 1 100 100 ASP CB C 100 40.580 40.580 42.918 -2.338 25143 4737 1 19 . 1 1 100 100 ASP H H 100 8.383 8.383 8.355 0.028 25143 4738 1 19 . 1 1 101 101 THR N N 101 116.696 116.696 116.466 0.230 25143 4739 1 19 . 1 1 101 101 THR HA H 101 4.517 4.517 4.741 -0.224 25143 4740 1 19 . 1 1 101 101 THR CA C 101 59.551 59.551 58.888 0.663 25143 4741 1 19 . 1 1 101 101 THR CB C 101 69.589 69.589 68.764 0.825 25143 4742 1 19 . 1 1 101 101 THR H H 101 8.017 8.017 8.171 -0.154 25143 4743 1 19 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.396 -0.060 25143 4744 1 19 . 1 1 102 102 PRO CA C 102 62.884 62.884 63.575 -0.691 25143 4745 1 19 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.005 -0.238 25143 4746 1 19 . 1 1 103 103 ALA N N 103 125.184 125.184 119.959 5.225 25143 4747 1 19 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.468 -0.183 25143 4748 1 19 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.514 0.503 25143 4749 1 19 . 1 1 103 103 ALA CB C 103 18.974 18.974 19.820 -0.846 25143 4750 1 19 . 1 1 103 103 ALA H H 103 8.333 8.333 7.708 0.625 25143 4751 1 20 . 1 1 50 50 GLU N N 50 120.583 120.583 122.192 -1.609 25143 4752 1 20 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.484 -0.316 25143 4753 1 20 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.187 0.637 25143 4754 1 20 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.930 -1.212 25143 4755 1 20 . 1 1 50 50 GLU H H 50 8.300 8.300 8.326 -0.026 25143 4756 1 20 . 1 1 51 51 GLU N N 51 121.142 121.142 122.472 -1.330 25143 4757 1 20 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.368 -0.244 25143 4758 1 20 . 1 1 51 51 GLU CA C 51 56.362 56.362 56.151 0.210 25143 4759 1 20 . 1 1 51 51 GLU CB C 51 29.727 29.727 29.922 -0.195 25143 4760 1 20 . 1 1 51 51 GLU H H 51 8.140 8.140 8.640 -0.500 25143 4761 1 20 . 1 1 52 52 PHE N N 52 120.500 120.500 123.370 -2.870 25143 4762 1 20 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.394 0.121 25143 4763 1 20 . 1 1 52 52 PHE CA C 52 57.409 57.409 58.382 -0.973 25143 4764 1 20 . 1 1 52 52 PHE CB C 52 39.326 39.326 39.452 -0.126 25143 4765 1 20 . 1 1 52 52 PHE H H 52 8.106 8.106 8.496 -0.390 25143 4766 1 20 . 1 1 53 53 GLN N N 53 121.616 121.616 123.712 -2.096 25143 4767 1 20 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.171 0.041 25143 4768 1 20 . 1 1 53 53 GLN CA C 53 55.345 55.345 54.481 0.864 25143 4769 1 20 . 1 1 53 53 GLN CB C 53 29.357 29.357 31.376 -2.019 25143 4770 1 20 . 1 1 53 53 GLN H H 53 8.047 8.047 8.082 -0.035 25143 4771 1 20 . 1 1 54 54 PHE N N 54 120.217 120.217 120.617 -0.400 25143 4772 1 20 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.962 -0.314 25143 4773 1 20 . 1 1 54 54 PHE CA C 54 56.824 56.824 57.287 -0.463 25143 4774 1 20 . 1 1 54 54 PHE CB C 54 39.522 39.522 39.918 -0.396 25143 4775 1 20 . 1 1 54 54 PHE H H 54 7.956 7.956 8.332 -0.376 25143 4776 1 20 . 1 1 55 55 LEU N N 55 123.391 123.391 125.278 -1.887 25143 4777 1 20 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.837 -0.451 25143 4778 1 20 . 1 1 55 55 LEU CA C 55 54.421 54.421 54.252 0.169 25143 4779 1 20 . 1 1 55 55 LEU CB C 55 43.024 43.024 44.459 -1.435 25143 4780 1 20 . 1 1 55 55 LEU H H 55 8.567 8.567 8.604 -0.037 25143 4781 1 20 . 1 1 56 56 ARG N N 56 120.442 120.442 121.075 -0.633 25143 4782 1 20 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.682 -0.113 25143 4783 1 20 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.614 -0.061 25143 4784 1 20 . 1 1 56 56 ARG CB C 56 31.817 31.817 33.541 -1.724 25143 4785 1 20 . 1 1 56 56 ARG H H 56 8.101 8.101 8.377 -0.276 25143 4786 1 20 . 1 1 57 57 CYS N N 57 123.891 123.891 121.493 2.398 25143 4787 1 20 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.419 -0.466 25143 4788 1 20 . 1 1 57 57 CYS CA C 57 59.135 59.135 59.673 -0.538 25143 4789 1 20 . 1 1 57 57 CYS CB C 57 31.290 31.290 29.357 1.933 25143 4790 1 20 . 1 1 57 57 CYS H H 57 8.828 8.828 8.745 0.083 25143 4791 1 20 . 1 1 58 58 GLN N N 58 128.172 128.172 127.472 0.700 25143 4792 1 20 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.099 0.022 25143 4793 1 20 . 1 1 58 58 GLN CA C 58 58.528 58.528 58.344 0.184 25143 4794 1 20 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.437 1.513 25143 4795 1 20 . 1 1 58 58 GLN H H 58 9.222 9.222 8.616 0.606 25143 4796 1 20 . 1 1 59 59 GLN N N 59 121.709 121.709 118.030 3.679 25143 4797 1 20 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.243 0.346 25143 4798 1 20 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.843 -0.234 25143 4799 1 20 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.234 0.483 25143 4800 1 20 . 1 1 59 59 GLN H H 59 9.200 9.200 8.135 1.065 25143 4801 1 20 . 1 1 60 60 CYS N N 60 119.482 119.482 114.220 5.262 25143 4802 1 20 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.828 -0.034 25143 4803 1 20 . 1 1 60 60 CYS CA C 60 59.458 59.458 57.991 1.467 25143 4804 1 20 . 1 1 60 60 CYS CB C 60 32.179 32.179 30.824 1.355 25143 4805 1 20 . 1 1 60 60 CYS H H 60 8.566 8.566 7.565 1.001 25143 4806 1 20 . 1 1 61 61 GLN N N 61 115.153 115.153 118.172 -3.019 25143 4807 1 20 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.982 0.171 25143 4808 1 20 . 1 1 61 61 GLN CA C 61 57.979 57.979 57.255 0.724 25143 4809 1 20 . 1 1 61 61 GLN CB C 61 25.342 25.342 25.935 -0.593 25143 4810 1 20 . 1 1 61 61 GLN H H 61 7.672 7.672 8.302 -0.630 25143 4811 1 20 . 1 1 62 62 ALA N N 62 124.669 124.669 120.436 4.233 25143 4812 1 20 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.555 -0.118 25143 4813 1 20 . 1 1 62 62 ALA CA C 62 52.064 52.064 50.780 1.284 25143 4814 1 20 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.341 -0.519 25143 4815 1 20 . 1 1 62 62 ALA H H 62 8.728 8.728 7.224 1.504 25143 4816 1 20 . 1 1 63 63 GLU N N 63 119.649 119.649 119.826 -0.177 25143 4817 1 20 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.121 -0.084 25143 4818 1 20 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.150 0.182 25143 4819 1 20 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.378 -0.116 25143 4820 1 20 . 1 1 63 63 GLU H H 63 8.523 8.523 8.504 0.019 25143 4821 1 20 . 1 1 64 64 ALA N N 64 128.762 128.762 128.335 0.427 25143 4822 1 20 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.354 0.032 25143 4823 1 20 . 1 1 64 64 ALA CA C 64 50.354 50.354 51.592 -1.238 25143 4824 1 20 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.464 -1.129 25143 4825 1 20 . 1 1 64 64 ALA H H 64 8.581 8.581 8.434 0.147 25143 4826 1 20 . 1 1 65 65 LYS N N 65 122.223 122.223 123.254 -1.031 25143 4827 1 20 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.071 0.010 25143 4828 1 20 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.672 -1.617 25143 4829 1 20 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.852 -0.546 25143 4830 1 20 . 1 1 65 65 LYS H H 65 8.175 8.175 8.877 -0.702 25143 4831 1 20 . 1 1 66 66 CYS N N 66 117.296 117.296 115.794 1.502 25143 4832 1 20 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.686 0.006 25143 4833 1 20 . 1 1 66 66 CYS CA C 66 53.727 53.727 55.877 -2.150 25143 4834 1 20 . 1 1 66 66 CYS H H 66 8.790 8.790 7.653 1.137 25143 4835 1 20 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.415 -0.018 25143 4836 1 20 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.785 0.044 25143 4837 1 20 . 1 1 67 67 PRO CB C 67 31.785 31.785 30.774 1.011 25143 4838 1 20 . 1 1 68 68 LYS N N 68 121.724 121.724 123.563 -1.839 25143 4839 1 20 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.444 -0.159 25143 4840 1 20 . 1 1 68 68 LYS CA C 68 54.929 54.929 55.618 -0.689 25143 4841 1 20 . 1 1 68 68 LYS CB C 68 33.327 33.327 33.037 0.290 25143 4842 1 20 . 1 1 68 68 LYS H H 68 8.662 8.662 8.026 0.636 25143 4843 1 20 . 1 1 69 69 LEU N N 69 125.851 125.851 122.390 3.461 25143 4844 1 20 . 1 1 69 69 LEU HA H 69 4.474 4.474 5.317 -0.843 25143 4845 1 20 . 1 1 69 69 LEU CA C 69 54.454 54.454 53.454 1.000 25143 4846 1 20 . 1 1 69 69 LEU CB C 69 41.720 41.720 43.469 -1.749 25143 4847 1 20 . 1 1 69 69 LEU H H 69 8.320 8.320 8.311 0.009 25143 4848 1 20 . 1 1 70 70 LEU N N 70 128.488 128.488 122.390 6.098 25143 4849 1 20 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.960 -0.312 25143 4850 1 20 . 1 1 70 70 LEU CA C 70 53.127 53.127 51.995 1.132 25143 4851 1 20 . 1 1 70 70 LEU CB C 70 42.832 42.832 43.438 -0.605 25143 4852 1 20 . 1 1 70 70 LEU H H 70 8.677 8.677 8.204 0.473 25143 4853 1 20 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.383 -0.107 25143 4854 1 20 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.852 -0.062 25143 4855 1 20 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.767 -0.307 25143 4856 1 20 . 1 1 72 72 CYS N N 72 112.135 112.135 117.860 -5.725 25143 4857 1 20 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.575 -0.301 25143 4858 1 20 . 1 1 72 72 CYS CA C 72 57.194 57.194 58.228 -1.034 25143 4859 1 20 . 1 1 72 72 CYS CB C 72 31.085 31.085 27.502 3.583 25143 4860 1 20 . 1 1 72 72 CYS H H 72 7.204 7.204 7.751 -0.547 25143 4861 1 20 . 1 1 73 73 LEU N N 73 114.341 114.341 121.718 -7.377 25143 4862 1 20 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.951 -0.083 25143 4863 1 20 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.778 0.722 25143 4864 1 20 . 1 1 73 73 LEU CB C 73 37.671 37.671 38.785 -1.113 25143 4865 1 20 . 1 1 73 73 LEU H H 73 8.043 8.043 7.599 0.444 25143 4866 1 20 . 1 1 74 74 HIS N N 74 120.386 120.386 119.106 1.280 25143 4867 1 20 . 1 1 74 74 HIS HA H 74 4.990 4.990 4.911 0.079 25143 4868 1 20 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.957 3.715 25143 4869 1 20 . 1 1 74 74 HIS CB C 74 31.354 31.354 34.227 -2.873 25143 4870 1 20 . 1 1 74 74 HIS H H 74 7.831 7.831 7.916 -0.085 25143 4871 1 20 . 1 1 75 75 THR N N 75 118.963 118.963 118.232 0.731 25143 4872 1 20 . 1 1 75 75 THR HA H 75 4.730 4.730 4.652 0.078 25143 4873 1 20 . 1 1 75 75 THR CA C 75 62.185 62.185 62.559 -0.374 25143 4874 1 20 . 1 1 75 75 THR CB C 75 69.640 69.640 69.138 0.502 25143 4875 1 20 . 1 1 75 75 THR H H 75 8.889 8.889 8.692 0.197 25143 4876 1 20 . 1 1 76 76 LEU N N 76 128.330 128.330 127.107 1.223 25143 4877 1 20 . 1 1 76 76 LEU HA H 76 5.933 5.933 5.038 0.895 25143 4878 1 20 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.569 -2.061 25143 4879 1 20 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.286 -1.092 25143 4880 1 20 . 1 1 76 76 LEU H H 76 8.767 8.767 8.536 0.231 25143 4881 1 20 . 1 1 77 77 CYS N N 77 119.360 119.360 115.406 3.954 25143 4882 1 20 . 1 1 77 77 CYS HA H 77 4.732 4.732 5.450 -0.718 25143 4883 1 20 . 1 1 77 77 CYS CA C 77 56.870 56.870 55.750 1.120 25143 4884 1 20 . 1 1 77 77 CYS CB C 77 31.698 31.698 31.180 0.518 25143 4885 1 20 . 1 1 77 77 CYS H H 77 9.510 9.510 8.211 1.299 25143 4886 1 20 . 1 1 78 78 SER N N 78 114.841 114.841 117.394 -2.553 25143 4887 1 20 . 1 1 78 78 SER HA H 78 4.037 4.037 4.134 -0.097 25143 4888 1 20 . 1 1 78 78 SER CA C 78 61.756 61.756 62.122 -0.366 25143 4889 1 20 . 1 1 78 78 SER CB C 78 62.254 62.254 62.808 -0.554 25143 4890 1 20 . 1 1 78 78 SER H H 78 8.593 8.593 9.062 -0.469 25143 4891 1 20 . 1 1 79 79 GLY N N 79 111.904 111.904 110.007 1.897 25143 4892 1 20 . 1 1 79 79 GLY CA C 79 46.777 46.777 47.454 -0.677 25143 4893 1 20 . 1 1 79 79 GLY H H 79 8.391 8.391 8.644 -0.253 25143 4894 1 20 . 1 1 80 80 CYS N N 80 126.807 126.807 120.566 6.241 25143 4895 1 20 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.266 -0.312 25143 4896 1 20 . 1 1 80 80 CYS CA C 80 65.189 65.189 61.231 3.958 25143 4897 1 20 . 1 1 80 80 CYS CB C 80 28.846 28.846 26.414 2.432 25143 4898 1 20 . 1 1 80 80 CYS H H 80 9.039 9.039 7.538 1.501 25143 4899 1 20 . 1 1 81 81 LEU N N 81 120.440 120.440 123.382 -2.942 25143 4900 1 20 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.210 -0.078 25143 4901 1 20 . 1 1 81 81 LEU CA C 81 57.443 57.443 58.272 -0.829 25143 4902 1 20 . 1 1 81 81 LEU CB C 81 41.782 41.782 42.171 -0.389 25143 4903 1 20 . 1 1 81 81 LEU H H 81 8.109 8.109 8.488 -0.379 25143 4904 1 20 . 1 1 82 82 GLU N N 82 120.149 120.149 117.223 2.926 25143 4905 1 20 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.072 -0.035 25143 4906 1 20 . 1 1 82 82 GLU CA C 82 59.319 59.319 58.801 0.518 25143 4907 1 20 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.368 -0.441 25143 4908 1 20 . 1 1 82 82 GLU H H 82 8.432 8.432 8.304 0.128 25143 4909 1 20 . 1 1 83 83 ALA N N 83 120.334 120.334 121.509 -1.175 25143 4910 1 20 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.315 -0.016 25143 4911 1 20 . 1 1 83 83 ALA CA C 83 53.543 53.543 53.793 -0.250 25143 4912 1 20 . 1 1 83 83 ALA CB C 83 18.334 18.334 19.758 -1.424 25143 4913 1 20 . 1 1 83 83 ALA H H 83 7.715 7.715 7.475 0.240 25143 4914 1 20 . 1 1 84 84 SER N N 84 112.368 112.368 112.581 -0.213 25143 4915 1 20 . 1 1 84 84 SER HA H 84 4.494 4.494 4.714 -0.220 25143 4916 1 20 . 1 1 84 84 SER CA C 84 58.210 58.210 58.229 -0.019 25143 4917 1 20 . 1 1 84 84 SER CB C 84 63.837 63.837 63.951 -0.114 25143 4918 1 20 . 1 1 84 84 SER H H 84 7.570 7.570 8.540 -0.970 25143 4919 1 20 . 1 1 85 85 GLY N N 85 110.612 110.612 110.530 0.082 25143 4920 1 20 . 1 1 85 85 GLY CA C 85 46.841 46.841 45.233 1.608 25143 4921 1 20 . 1 1 85 85 GLY H H 85 7.955 7.955 7.987 -0.032 25143 4922 1 20 . 1 1 86 86 MET N N 86 113.856 113.856 122.629 -8.773 25143 4923 1 20 . 1 1 86 86 MET HA H 86 3.804 3.804 4.440 -0.636 25143 4924 1 20 . 1 1 86 86 MET CA C 86 55.160 55.160 55.219 -0.059 25143 4925 1 20 . 1 1 86 86 MET CB C 86 28.494 28.494 31.819 -3.325 25143 4926 1 20 . 1 1 86 86 MET H H 86 8.489 8.489 8.341 0.148 25143 4927 1 20 . 1 1 87 87 GLN N N 87 116.394 116.394 119.190 -2.796 25143 4928 1 20 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.569 -0.120 25143 4929 1 20 . 1 1 87 87 GLN CA C 87 53.404 53.404 54.645 -1.241 25143 4930 1 20 . 1 1 87 87 GLN CB C 87 30.964 30.964 31.915 -0.951 25143 4931 1 20 . 1 1 87 87 GLN H H 87 7.188 7.188 7.563 -0.375 25143 4932 1 20 . 1 1 88 88 CYS N N 88 124.484 124.484 118.830 5.654 25143 4933 1 20 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.789 -0.489 25143 4934 1 20 . 1 1 88 88 CYS CA C 88 57.101 57.101 55.322 1.779 25143 4935 1 20 . 1 1 88 88 CYS CB C 88 31.117 31.117 27.332 3.785 25143 4936 1 20 . 1 1 88 88 CYS H H 88 8.616 8.616 8.573 0.043 25143 4937 1 20 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.335 0.174 25143 4938 1 20 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.912 -1.197 25143 4939 1 20 . 1 1 89 89 PRO CB C 89 31.717 31.717 31.868 -0.151 25143 4940 1 20 . 1 1 90 90 ILE N N 90 123.484 123.484 118.012 5.472 25143 4941 1 20 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.804 -0.021 25143 4942 1 20 . 1 1 90 90 ILE CA C 90 62.878 62.878 63.661 -0.783 25143 4943 1 20 . 1 1 90 90 ILE CB C 90 37.483 37.483 37.373 0.110 25143 4944 1 20 . 1 1 90 90 ILE H H 90 8.908 8.908 7.876 1.032 25143 4945 1 20 . 1 1 91 91 CYS N N 91 120.890 120.890 118.012 2.878 25143 4946 1 20 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.176 0.341 25143 4947 1 20 . 1 1 91 91 CYS CA C 91 60.891 60.891 62.695 -1.804 25143 4948 1 20 . 1 1 91 91 CYS CB C 91 31.244 31.244 26.737 4.507 25143 4949 1 20 . 1 1 91 91 CYS H H 91 8.587 8.587 7.473 1.114 25143 4950 1 20 . 1 1 92 92 GLN N N 92 116.563 116.563 118.021 -1.458 25143 4951 1 20 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.275 -0.143 25143 4952 1 20 . 1 1 92 92 GLN CA C 92 56.824 56.824 56.372 0.452 25143 4953 1 20 . 1 1 92 92 GLN CB C 92 27.216 27.216 29.616 -2.401 25143 4954 1 20 . 1 1 92 92 GLN H H 92 7.787 7.787 8.026 -0.239 25143 4955 1 20 . 1 1 93 93 ALA N N 93 125.273 125.273 123.953 1.320 25143 4956 1 20 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.189 0.372 25143 4957 1 20 . 1 1 93 93 ALA CA C 93 50.862 50.862 50.976 -0.114 25143 4958 1 20 . 1 1 93 93 ALA CB C 93 18.415 18.415 18.471 -0.056 25143 4959 1 20 . 1 1 93 93 ALA H H 93 8.031 8.031 7.373 0.658 25143 4960 1 20 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.131 0.407 25143 4961 1 20 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.535 -0.021 25143 4962 1 20 . 1 1 94 94 PRO CB C 94 31.684 31.684 32.241 -0.557 25143 4963 1 20 . 1 1 95 95 TRP N N 95 121.986 121.986 121.942 0.044 25143 4964 1 20 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.786 0.256 25143 4965 1 20 . 1 1 95 95 TRP CA C 95 54.005 54.005 54.057 -0.052 25143 4966 1 20 . 1 1 95 95 TRP CB C 95 28.846 28.846 28.479 0.367 25143 4967 1 20 . 1 1 95 95 TRP H H 95 8.012 8.012 7.565 0.447 25143 4968 1 20 . 1 1 96 96 PRO CA C 96 62.690 62.690 63.220 -0.530 25143 4969 1 20 . 1 1 96 96 PRO CB C 96 31.770 31.770 30.570 1.200 25143 4970 1 20 . 1 1 97 97 LEU N N 97 122.075 122.075 125.580 -3.505 25143 4971 1 20 . 1 1 97 97 LEU HA H 97 4.299 4.299 4.630 -0.331 25143 4972 1 20 . 1 1 97 97 LEU CA C 97 55.206 55.206 54.798 0.408 25143 4973 1 20 . 1 1 97 97 LEU CB C 97 42.046 42.046 40.959 1.087 25143 4974 1 20 . 1 1 97 97 LEU H H 97 8.145 8.145 8.256 -0.111 25143 4975 1 20 . 1 1 98 98 GLY N N 98 110.020 110.020 111.026 -1.006 25143 4976 1 20 . 1 1 98 98 GLY CA C 98 45.085 45.085 45.617 -0.532 25143 4977 1 20 . 1 1 98 98 GLY H H 98 8.444 8.444 8.584 -0.140 25143 4978 1 20 . 1 1 99 99 ALA N N 99 123.511 123.511 123.913 -0.402 25143 4979 1 20 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.561 -0.262 25143 4980 1 20 . 1 1 99 99 ALA CA C 99 52.249 52.249 51.658 0.591 25143 4981 1 20 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.255 -0.319 25143 4982 1 20 . 1 1 99 99 ALA H H 99 8.176 8.176 8.058 0.118 25143 4983 1 20 . 1 1 100 100 ASP N N 100 119.098 119.098 118.623 0.475 25143 4984 1 20 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.600 -0.039 25143 4985 1 20 . 1 1 100 100 ASP CA C 100 53.912 53.912 54.163 -0.251 25143 4986 1 20 . 1 1 100 100 ASP CB C 100 40.580 40.580 41.582 -1.002 25143 4987 1 20 . 1 1 100 100 ASP H H 100 8.383 8.383 8.393 -0.010 25143 4988 1 20 . 1 1 101 101 THR N N 101 116.696 116.696 115.372 1.324 25143 4989 1 20 . 1 1 101 101 THR HA H 101 4.517 4.517 4.746 -0.229 25143 4990 1 20 . 1 1 101 101 THR CA C 101 59.551 59.551 60.386 -0.835 25143 4991 1 20 . 1 1 101 101 THR CB C 101 69.589 69.589 68.529 1.059 25143 4992 1 20 . 1 1 101 101 THR H H 101 8.017 8.017 8.202 -0.185 25143 4993 1 20 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.614 -0.278 25143 4994 1 20 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.176 0.708 25143 4995 1 20 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.566 -0.798 25143 4996 1 20 . 1 1 103 103 ALA N N 103 125.184 125.184 121.060 4.124 25143 4997 1 20 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.653 -0.368 25143 4998 1 20 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.624 0.393 25143 4999 1 20 . 1 1 103 103 ALA CB C 103 18.974 18.974 20.370 -1.396 25143 5000 1 20 . 1 1 103 103 ALA H H 103 8.333 8.333 8.247 0.086 25143 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 48 3.284 -0.206 3.312 25143 2 1 1 "Average Difference" HA 56 0.298 0.061 0.294 25143 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25143 4 1 1 "Average Difference" CA 54 1.142 0.013 1.153 25143 5 1 1 "Average Difference" CB 50 1.546 0.252 1.540 25143 6 1 1 "Average Difference" HN 48 0.596 -0.206 0.565 25143 7 1 2 "Average Difference" N 48 3.374 -0.590 3.357 25143 8 1 2 "Average Difference" HA 56 0.332 0.049 0.331 25143 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25143 10 1 2 "Average Difference" CA 54 1.213 -0.046 1.223 25143 11 1 2 "Average Difference" CB 50 1.353 0.184 1.354 25143 12 1 2 "Average Difference" HN 48 0.584 -0.256 0.531 25143 13 1 3 "Average Difference" N 48 3.318 -0.341 3.335 25143 14 1 3 "Average Difference" HA 56 0.286 0.047 0.285 25143 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25143 16 1 3 "Average Difference" CA 54 1.148 -0.022 1.159 25143 17 1 3 "Average Difference" CB 50 1.326 0.259 1.314 25143 18 1 3 "Average Difference" HN 48 0.587 -0.194 0.560 25143 19 1 4 "Average Difference" N 48 3.449 -0.383 3.464 25143 20 1 4 "Average Difference" HA 56 0.302 0.065 0.298 25143 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25143 22 1 4 "Average Difference" CA 54 1.090 -0.038 1.100 25143 23 1 4 "Average Difference" CB 50 1.381 0.347 1.350 25143 24 1 4 "Average Difference" HN 48 0.606 -0.179 0.585 25143 25 1 5 "Average Difference" N 48 2.980 0.074 3.011 25143 26 1 5 "Average Difference" HA 56 0.305 0.060 0.302 25143 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25143 28 1 5 "Average Difference" CA 54 1.021 0.019 1.031 25143 29 1 5 "Average Difference" CB 50 1.514 0.159 1.521 25143 30 1 5 "Average Difference" HN 48 0.612 -0.208 0.582 25143 31 1 6 "Average Difference" N 48 3.189 -0.687 3.147 25143 32 1 6 "Average Difference" HA 56 0.302 0.072 0.296 25143 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25143 34 1 6 "Average Difference" CA 54 1.130 -0.017 1.141 25143 35 1 6 "Average Difference" CB 50 1.395 0.174 1.398 25143 36 1 6 "Average Difference" HN 48 0.544 -0.176 0.520 25143 37 1 7 "Average Difference" N 48 3.301 -0.142 3.332 25143 38 1 7 "Average Difference" HA 56 0.287 0.041 0.287 25143 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25143 40 1 7 "Average Difference" CA 54 1.082 -0.011 1.093 25143 41 1 7 "Average Difference" CB 50 1.524 0.178 1.529 25143 42 1 7 "Average Difference" HN 48 0.574 -0.190 0.547 25143 43 1 8 "Average Difference" N 48 3.262 -0.571 3.246 25143 44 1 8 "Average Difference" HA 56 0.302 0.039 0.302 25143 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25143 46 1 8 "Average Difference" CA 54 1.134 -0.035 1.144 25143 47 1 8 "Average Difference" CB 50 1.394 0.115 1.404 25143 48 1 8 "Average Difference" HN 48 0.627 -0.229 0.590 25143 49 1 9 "Average Difference" N 48 3.597 -0.506 3.599 25143 50 1 9 "Average Difference" HA 56 0.322 0.024 0.324 25143 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25143 52 1 9 "Average Difference" CA 54 1.189 0.022 1.200 25143 53 1 9 "Average Difference" CB 50 1.449 0.117 1.459 25143 54 1 9 "Average Difference" HN 48 0.594 -0.220 0.558 25143 55 1 10 "Average Difference" N 48 3.152 -0.307 3.170 25143 56 1 10 "Average Difference" HA 56 0.304 0.077 0.296 25143 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25143 58 1 10 "Average Difference" CA 54 1.085 -0.120 1.089 25143 59 1 10 "Average Difference" CB 50 1.568 0.247 1.564 25143 60 1 10 "Average Difference" HN 48 0.555 -0.165 0.536 25143 61 1 11 "Average Difference" N 48 3.334 -0.193 3.363 25143 62 1 11 "Average Difference" HA 56 0.288 0.039 0.288 25143 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25143 64 1 11 "Average Difference" CA 54 1.162 -0.036 1.172 25143 65 1 11 "Average Difference" CB 50 1.384 0.179 1.386 25143 66 1 11 "Average Difference" HN 48 0.583 -0.222 0.545 25143 67 1 12 "Average Difference" N 48 3.451 -0.241 3.479 25143 68 1 12 "Average Difference" HA 56 0.325 0.075 0.319 25143 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25143 70 1 12 "Average Difference" CA 54 1.198 -0.003 1.209 25143 71 1 12 "Average Difference" CB 50 1.417 0.242 1.410 25143 72 1 12 "Average Difference" HN 48 0.553 -0.168 0.533 25143 73 1 13 "Average Difference" N 48 3.643 -0.147 3.679 25143 74 1 13 "Average Difference" HA 56 0.301 0.058 0.298 25143 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25143 76 1 13 "Average Difference" CA 54 1.148 -0.124 1.152 25143 77 1 13 "Average Difference" CB 50 1.498 0.236 1.494 25143 78 1 13 "Average Difference" HN 48 0.607 -0.210 0.576 25143 79 1 14 "Average Difference" N 48 3.220 -0.535 3.208 25143 80 1 14 "Average Difference" HA 56 0.297 0.027 0.298 25143 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25143 82 1 14 "Average Difference" CA 54 1.213 -0.086 1.222 25143 83 1 14 "Average Difference" CB 50 1.371 0.150 1.376 25143 84 1 14 "Average Difference" HN 48 0.529 -0.171 0.506 25143 85 1 15 "Average Difference" N 48 3.102 -0.470 3.098 25143 86 1 15 "Average Difference" HA 56 0.332 0.069 0.328 25143 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25143 88 1 15 "Average Difference" CA 54 1.089 -0.058 1.097 25143 89 1 15 "Average Difference" CB 50 1.591 0.343 1.570 25143 90 1 15 "Average Difference" HN 48 0.586 -0.179 0.564 25143 91 1 16 "Average Difference" N 48 3.004 0.219 3.028 25143 92 1 16 "Average Difference" HA 56 0.300 0.056 0.298 25143 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25143 94 1 16 "Average Difference" CA 54 1.121 -0.023 1.131 25143 95 1 16 "Average Difference" CB 50 1.721 0.182 1.728 25143 96 1 16 "Average Difference" HN 48 0.552 -0.170 0.530 25143 97 1 17 "Average Difference" N 48 3.078 -0.201 3.103 25143 98 1 17 "Average Difference" HA 56 0.299 0.041 0.299 25143 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25143 100 1 17 "Average Difference" CA 54 1.220 -0.022 1.232 25143 101 1 17 "Average Difference" CB 50 1.550 0.042 1.565 25143 102 1 17 "Average Difference" HN 48 0.569 -0.225 0.529 25143 103 1 18 "Average Difference" N 48 3.192 -0.728 3.141 25143 104 1 18 "Average Difference" HA 56 0.310 -0.005 0.312 25143 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25143 106 1 18 "Average Difference" CA 54 1.135 0.017 1.145 25143 107 1 18 "Average Difference" CB 50 1.540 0.061 1.554 25143 108 1 18 "Average Difference" HN 48 0.563 -0.239 0.515 25143 109 1 19 "Average Difference" N 48 3.230 -0.423 3.236 25143 110 1 19 "Average Difference" HA 56 0.324 0.052 0.323 25143 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25143 112 1 19 "Average Difference" CA 54 1.083 0.004 1.094 25143 113 1 19 "Average Difference" CB 50 1.388 0.245 1.380 25143 114 1 19 "Average Difference" HN 48 0.583 -0.177 0.562 25143 115 1 20 "Average Difference" N 48 3.282 -0.262 3.307 25143 116 1 20 "Average Difference" HA 56 0.311 0.064 0.307 25143 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25143 118 1 20 "Average Difference" CA 54 1.157 -0.052 1.166 25143 119 1 20 "Average Difference" CB 50 1.540 0.118 1.552 25143 120 1 20 "Average Difference" HN 48 0.603 -0.158 0.588 25143 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 25143 _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 50 50 GLU N N 50 120.583 120.583 121.732 -1.149 25143 2 1 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.521 -0.353 25143 3 1 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.296 0.528 25143 4 1 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.457 -0.739 25143 5 1 . 1 1 50 50 GLU H H 50 8.300 8.300 8.453 -0.153 25143 6 1 . 1 1 51 51 GLU N N 51 121.142 121.142 121.822 -0.680 25143 7 1 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.296 -0.172 25143 8 1 . 1 1 51 51 GLU CA C 51 56.362 56.362 56.401 -0.039 25143 9 1 . 1 1 51 51 GLU CB C 51 29.727 29.727 30.351 -0.624 25143 10 1 . 1 1 51 51 GLU H H 51 8.140 8.140 8.518 -0.378 25143 11 1 . 1 1 52 52 PHE N N 52 120.500 120.500 120.838 -0.338 25143 12 1 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.601 -0.086 25143 13 1 . 1 1 52 52 PHE CA C 52 57.409 57.409 57.800 -0.391 25143 14 1 . 1 1 52 52 PHE CB C 52 39.326 39.326 39.785 -0.459 25143 15 1 . 1 1 52 52 PHE H H 52 8.106 8.106 8.237 -0.131 25143 16 1 . 1 1 53 53 GLN N N 53 121.616 121.616 121.690 -0.074 25143 17 1 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.287 -0.075 25143 18 1 . 1 1 53 53 GLN CA C 53 55.345 55.345 55.411 -0.066 25143 19 1 . 1 1 53 53 GLN CB C 53 29.357 29.357 29.964 -0.607 25143 20 1 . 1 1 53 53 GLN H H 53 8.047 8.047 8.100 -0.053 25143 21 1 . 1 1 54 54 PHE N N 54 120.217 120.217 121.112 -0.895 25143 22 1 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.776 -0.128 25143 23 1 . 1 1 54 54 PHE CA C 54 56.824 56.824 57.471 -0.647 25143 24 1 . 1 1 54 54 PHE CB C 54 39.522 39.522 40.092 -0.570 25143 25 1 . 1 1 54 54 PHE H H 54 7.956 7.956 8.386 -0.430 25143 26 1 . 1 1 55 55 LEU N N 55 123.391 123.391 124.508 -1.117 25143 27 1 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.591 -0.205 25143 28 1 . 1 1 55 55 LEU CA C 55 54.421 54.421 54.554 -0.133 25143 29 1 . 1 1 55 55 LEU CB C 55 43.024 43.024 44.241 -1.217 25143 30 1 . 1 1 55 55 LEU H H 55 8.567 8.567 8.303 0.265 25143 31 1 . 1 1 56 56 ARG N N 56 120.442 120.442 122.442 -2.000 25143 32 1 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.603 -0.034 25143 33 1 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.838 -0.285 25143 34 1 . 1 1 56 56 ARG CB C 56 31.817 31.817 32.878 -1.060 25143 35 1 . 1 1 56 56 ARG H H 56 8.101 8.101 8.308 -0.207 25143 36 1 . 1 1 57 57 CYS N N 57 123.891 123.891 123.157 0.734 25143 37 1 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.388 -0.435 25143 38 1 . 1 1 57 57 CYS CA C 57 59.135 59.135 59.297 -0.162 25143 39 1 . 1 1 57 57 CYS CB C 57 31.290 31.290 29.595 1.695 25143 40 1 . 1 1 57 57 CYS H H 57 8.828 8.828 8.525 0.303 25143 41 1 . 1 1 58 58 GLN N N 58 128.172 128.172 128.105 0.067 25143 42 1 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.094 0.027 25143 43 1 . 1 1 58 58 GLN CA C 58 58.528 58.528 58.270 0.258 25143 44 1 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.619 1.331 25143 45 1 . 1 1 58 58 GLN H H 58 9.222 9.222 8.679 0.543 25143 46 1 . 1 1 59 59 GLN N N 59 121.709 121.709 117.858 3.851 25143 47 1 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.287 0.302 25143 48 1 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.559 0.050 25143 49 1 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.239 0.478 25143 50 1 . 1 1 59 59 GLN H H 59 9.200 9.200 8.151 1.049 25143 51 1 . 1 1 60 60 CYS N N 60 119.482 119.482 116.477 3.005 25143 52 1 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.690 0.104 25143 53 1 . 1 1 60 60 CYS CA C 60 59.458 59.458 58.572 0.887 25143 54 1 . 1 1 60 60 CYS CB C 60 32.179 32.179 29.968 2.211 25143 55 1 . 1 1 60 60 CYS H H 60 8.566 8.566 7.482 1.084 25143 56 1 . 1 1 61 61 GLN N N 61 115.153 115.153 117.982 -2.829 25143 57 1 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.999 0.154 25143 58 1 . 1 1 61 61 GLN CA C 61 57.979 57.979 57.087 0.892 25143 59 1 . 1 1 61 61 GLN CB C 61 25.342 25.342 26.711 -1.369 25143 60 1 . 1 1 61 61 GLN H H 61 7.672 7.672 8.300 -0.628 25143 61 1 . 1 1 62 62 ALA N N 62 124.669 124.669 119.808 4.861 25143 62 1 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.580 -0.143 25143 63 1 . 1 1 62 62 ALA CA C 62 52.064 52.064 50.929 1.135 25143 64 1 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.340 -0.518 25143 65 1 . 1 1 62 62 ALA H H 62 8.728 8.728 7.535 1.193 25143 66 1 . 1 1 63 63 GLU N N 63 119.649 119.649 119.974 -0.325 25143 67 1 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.157 -0.120 25143 68 1 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.020 0.312 25143 69 1 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.525 -0.263 25143 70 1 . 1 1 63 63 GLU H H 63 8.523 8.523 8.522 0.001 25143 71 1 . 1 1 64 64 ALA N N 64 128.762 128.762 128.180 0.582 25143 72 1 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.332 0.054 25143 73 1 . 1 1 64 64 ALA CA C 64 50.354 50.354 51.875 -1.521 25143 74 1 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.240 -0.905 25143 75 1 . 1 1 64 64 ALA H H 64 8.581 8.581 8.436 0.145 25143 76 1 . 1 1 65 65 LYS N N 65 122.223 122.223 122.428 -0.205 25143 77 1 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.075 0.006 25143 78 1 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.272 -1.217 25143 79 1 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.781 -0.475 25143 80 1 . 1 1 65 65 LYS H H 65 8.175 8.175 8.554 -0.379 25143 81 1 . 1 1 66 66 CYS N N 66 117.296 117.296 116.934 0.362 25143 82 1 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.756 -0.064 25143 83 1 . 1 1 66 66 CYS CA C 66 53.727 53.727 55.767 -2.040 25143 84 1 . 1 1 66 66 CYS H H 66 8.790 8.790 7.869 0.921 25143 85 1 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.482 -0.085 25143 86 1 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.819 0.010 25143 87 1 . 1 1 67 67 PRO CB C 67 31.785 31.785 30.825 0.960 25143 88 1 . 1 1 68 68 LYS N N 68 121.724 121.724 124.598 -2.874 25143 89 1 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.530 -0.245 25143 90 1 . 1 1 68 68 LYS CA C 68 54.929 54.929 55.271 -0.342 25143 91 1 . 1 1 68 68 LYS CB C 68 33.327 33.327 33.807 -0.480 25143 92 1 . 1 1 68 68 LYS H H 68 8.662 8.662 8.268 0.394 25143 93 1 . 1 1 69 69 LEU N N 69 125.851 125.851 124.776 1.075 25143 94 1 . 1 1 69 69 LEU HA H 69 4.474 4.474 5.033 -0.559 25143 95 1 . 1 1 69 69 LEU CA C 69 54.454 54.454 54.056 0.398 25143 96 1 . 1 1 69 69 LEU CB C 69 41.720 41.720 43.768 -2.048 25143 97 1 . 1 1 69 69 LEU H H 69 8.320 8.320 8.435 -0.115 25143 98 1 . 1 1 70 70 LEU N N 70 128.488 128.488 123.330 5.158 25143 99 1 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.917 -0.270 25143 100 1 . 1 1 70 70 LEU CA C 70 53.127 53.127 52.026 1.101 25143 101 1 . 1 1 70 70 LEU CB C 70 42.832 42.832 43.141 -0.309 25143 102 1 . 1 1 70 70 LEU H H 70 8.677 8.677 8.133 0.544 25143 103 1 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.379 -0.103 25143 104 1 . 1 1 71 71 PRO CA C 71 64.790 64.790 65.126 -0.336 25143 105 1 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.785 -0.325 25143 106 1 . 1 1 72 72 CYS N N 72 112.135 112.135 117.700 -5.565 25143 107 1 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.543 -0.269 25143 108 1 . 1 1 72 72 CYS CA C 72 57.194 57.194 57.910 -0.716 25143 109 1 . 1 1 72 72 CYS CB C 72 31.085 31.085 27.003 4.082 25143 110 1 . 1 1 72 72 CYS H H 72 7.204 7.204 7.712 -0.508 25143 111 1 . 1 1 73 73 LEU N N 73 114.341 114.341 120.167 -5.826 25143 112 1 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.957 -0.089 25143 113 1 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.873 0.627 25143 114 1 . 1 1 73 73 LEU CB C 73 37.671 37.671 39.049 -1.378 25143 115 1 . 1 1 73 73 LEU H H 73 8.043 8.043 7.507 0.536 25143 116 1 . 1 1 74 74 HIS N N 74 120.386 120.386 117.607 2.779 25143 117 1 . 1 1 74 74 HIS HA H 74 4.990 4.990 4.866 0.124 25143 118 1 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.818 3.854 25143 119 1 . 1 1 74 74 HIS CB C 74 31.354 31.354 33.446 -2.092 25143 120 1 . 1 1 74 74 HIS H H 74 7.831 7.831 7.808 0.023 25143 121 1 . 1 1 75 75 THR N N 75 118.963 118.963 118.306 0.657 25143 122 1 . 1 1 75 75 THR HA H 75 4.730 4.730 4.635 0.095 25143 123 1 . 1 1 75 75 THR CA C 75 62.185 62.185 62.483 -0.298 25143 124 1 . 1 1 75 75 THR CB C 75 69.640 69.640 69.366 0.274 25143 125 1 . 1 1 75 75 THR H H 75 8.889 8.889 8.570 0.319 25143 126 1 . 1 1 76 76 LEU N N 76 128.330 128.330 126.886 1.444 25143 127 1 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.898 1.035 25143 128 1 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.583 -2.074 25143 129 1 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.365 -1.171 25143 130 1 . 1 1 76 76 LEU H H 76 8.767 8.767 8.582 0.185 25143 131 1 . 1 1 77 77 CYS N N 77 119.360 119.360 116.169 3.191 25143 132 1 . 1 1 77 77 CYS HA H 77 4.732 4.732 5.474 -0.742 25143 133 1 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.009 0.861 25143 134 1 . 1 1 77 77 CYS CB C 77 31.698 31.698 30.919 0.779 25143 135 1 . 1 1 77 77 CYS H H 77 9.510 9.510 8.211 1.299 25143 136 1 . 1 1 78 78 SER N N 78 114.841 114.841 117.566 -2.725 25143 137 1 . 1 1 78 78 SER HA H 78 4.037 4.037 4.085 -0.048 25143 138 1 . 1 1 78 78 SER CA C 78 61.756 61.756 62.013 -0.257 25143 139 1 . 1 1 78 78 SER CB C 78 62.254 62.254 62.705 -0.451 25143 140 1 . 1 1 78 78 SER H H 78 8.593 8.593 8.741 -0.148 25143 141 1 . 1 1 79 79 GLY N N 79 111.904 111.904 109.597 2.307 25143 142 1 . 1 1 79 79 GLY CA C 79 46.777 46.777 47.056 -0.279 25143 143 1 . 1 1 79 79 GLY H H 79 8.391 8.391 8.706 -0.316 25143 144 1 . 1 1 80 80 CYS N N 80 126.807 126.807 120.742 6.065 25143 145 1 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.225 -0.271 25143 146 1 . 1 1 80 80 CYS CA C 80 65.189 65.189 62.685 2.504 25143 147 1 . 1 1 80 80 CYS CB C 80 28.846 28.846 27.148 1.698 25143 148 1 . 1 1 80 80 CYS H H 80 9.039 9.039 7.563 1.476 25143 149 1 . 1 1 81 81 LEU N N 81 120.440 120.440 122.953 -2.513 25143 150 1 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.223 -0.091 25143 151 1 . 1 1 81 81 LEU CA C 81 57.443 57.443 58.168 -0.725 25143 152 1 . 1 1 81 81 LEU CB C 81 41.782 41.782 42.239 -0.457 25143 153 1 . 1 1 81 81 LEU H H 81 8.109 8.109 7.989 0.121 25143 154 1 . 1 1 82 82 GLU N N 82 120.149 120.149 117.115 3.034 25143 155 1 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.053 -0.016 25143 156 1 . 1 1 82 82 GLU CA C 82 59.319 59.319 58.985 0.334 25143 157 1 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.627 -0.699 25143 158 1 . 1 1 82 82 GLU H H 82 8.432 8.432 8.339 0.093 25143 159 1 . 1 1 83 83 ALA N N 83 120.334 120.334 121.331 -0.997 25143 160 1 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.347 -0.048 25143 161 1 . 1 1 83 83 ALA CA C 83 53.543 53.543 53.841 -0.298 25143 162 1 . 1 1 83 83 ALA CB C 83 18.334 18.334 19.515 -1.181 25143 163 1 . 1 1 83 83 ALA H H 83 7.715 7.715 7.562 0.153 25143 164 1 . 1 1 84 84 SER N N 84 112.368 112.368 113.629 -1.261 25143 165 1 . 1 1 84 84 SER HA H 84 4.494 4.494 4.684 -0.190 25143 166 1 . 1 1 84 84 SER CA C 84 58.210 58.210 57.518 0.692 25143 167 1 . 1 1 84 84 SER CB C 84 63.837 63.837 63.342 0.496 25143 168 1 . 1 1 84 84 SER H H 84 7.570 7.570 8.316 -0.746 25143 169 1 . 1 1 85 85 GLY N N 85 110.612 110.612 110.397 0.215 25143 170 1 . 1 1 85 85 GLY CA C 85 46.841 46.841 45.428 1.413 25143 171 1 . 1 1 85 85 GLY H H 85 7.955 7.955 7.660 0.295 25143 172 1 . 1 1 86 86 MET N N 86 113.856 113.856 121.048 -7.192 25143 173 1 . 1 1 86 86 MET HA H 86 3.804 3.804 4.490 -0.686 25143 174 1 . 1 1 86 86 MET CA C 86 55.160 55.160 55.278 -0.118 25143 175 1 . 1 1 86 86 MET CB C 86 28.494 28.494 32.181 -3.687 25143 176 1 . 1 1 86 86 MET H H 86 8.489 8.489 8.291 0.198 25143 177 1 . 1 1 87 87 GLN N N 87 116.394 116.394 119.314 -2.920 25143 178 1 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.495 -0.046 25143 179 1 . 1 1 87 87 GLN CA C 87 53.404 53.404 54.979 -1.575 25143 180 1 . 1 1 87 87 GLN CB C 87 30.964 30.964 31.349 -0.385 25143 181 1 . 1 1 87 87 GLN H H 87 7.188 7.188 7.473 -0.285 25143 182 1 . 1 1 88 88 CYS N N 88 124.484 124.484 120.275 4.209 25143 183 1 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.805 -0.505 25143 184 1 . 1 1 88 88 CYS CA C 88 57.101 57.101 55.179 1.922 25143 185 1 . 1 1 88 88 CYS CB C 88 31.117 31.117 28.458 2.659 25143 186 1 . 1 1 88 88 CYS H H 88 8.616 8.616 8.605 0.011 25143 187 1 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.382 0.127 25143 188 1 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.406 -0.691 25143 189 1 . 1 1 89 89 PRO CB C 89 31.717 31.717 32.078 -0.361 25143 190 1 . 1 1 90 90 ILE N N 90 123.484 123.484 118.110 5.374 25143 191 1 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.798 -0.015 25143 192 1 . 1 1 90 90 ILE CA C 90 62.878 62.878 64.281 -1.403 25143 193 1 . 1 1 90 90 ILE CB C 90 37.483 37.483 37.723 -0.240 25143 194 1 . 1 1 90 90 ILE H H 90 8.908 8.908 8.050 0.858 25143 195 1 . 1 1 91 91 CYS N N 91 120.890 120.890 115.220 5.670 25143 196 1 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.333 0.184 25143 197 1 . 1 1 91 91 CYS CA C 91 60.891 60.891 59.530 1.361 25143 198 1 . 1 1 91 91 CYS CB C 91 31.244 31.244 27.936 3.308 25143 199 1 . 1 1 91 91 CYS H H 91 8.587 8.587 7.594 0.993 25143 200 1 . 1 1 92 92 GLN N N 92 116.563 116.563 119.687 -3.124 25143 201 1 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.219 -0.087 25143 202 1 . 1 1 92 92 GLN CA C 92 56.824 56.824 56.955 -0.130 25143 203 1 . 1 1 92 92 GLN CB C 92 27.216 27.216 29.268 -2.052 25143 204 1 . 1 1 92 92 GLN H H 92 7.787 7.787 7.573 0.214 25143 205 1 . 1 1 93 93 ALA N N 93 125.273 125.273 123.603 1.670 25143 206 1 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.405 0.156 25143 207 1 . 1 1 93 93 ALA CA C 93 50.862 50.862 50.623 0.239 25143 208 1 . 1 1 93 93 ALA CB C 93 18.415 18.415 18.639 -0.224 25143 209 1 . 1 1 93 93 ALA H H 93 8.031 8.031 7.606 0.425 25143 210 1 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.411 0.127 25143 211 1 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.791 -0.278 25143 212 1 . 1 1 94 94 PRO CB C 94 31.684 31.684 32.057 -0.373 25143 213 1 . 1 1 95 95 TRP N N 95 121.986 121.986 123.470 -1.484 25143 214 1 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.827 0.215 25143 215 1 . 1 1 95 95 TRP CA C 95 54.005 54.005 55.181 -1.176 25143 216 1 . 1 1 95 95 TRP CB C 95 28.846 28.846 29.380 -0.534 25143 217 1 . 1 1 95 95 TRP H H 95 8.012 8.012 8.172 -0.160 25143 218 1 . 1 1 96 96 PRO CA C 96 62.690 62.690 62.997 -0.307 25143 219 1 . 1 1 96 96 PRO CB C 96 31.770 31.770 32.041 -0.272 25143 220 1 . 1 1 97 97 LEU N N 97 122.075 122.075 121.196 0.879 25143 221 1 . 1 1 97 97 LEU HA H 97 4.299 4.299 4.326 -0.027 25143 222 1 . 1 1 97 97 LEU CA C 97 55.206 55.206 55.348 -0.142 25143 223 1 . 1 1 97 97 LEU CB C 97 42.046 42.046 41.929 0.117 25143 224 1 . 1 1 97 97 LEU H H 97 8.145 8.145 8.229 -0.084 25143 225 1 . 1 1 98 98 GLY N N 98 110.020 110.020 108.688 1.332 25143 226 1 . 1 1 98 98 GLY CA C 98 45.085 45.085 45.046 0.039 25143 227 1 . 1 1 98 98 GLY H H 98 8.444 8.444 8.313 0.131 25143 228 1 . 1 1 99 99 ALA N N 99 123.511 123.511 123.739 -0.228 25143 229 1 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.346 -0.047 25143 230 1 . 1 1 99 99 ALA CA C 99 52.249 52.249 52.241 0.008 25143 231 1 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.377 -0.441 25143 232 1 . 1 1 99 99 ALA H H 99 8.176 8.176 8.147 0.029 25143 233 1 . 1 1 100 100 ASP N N 100 119.098 119.098 119.538 -0.440 25143 234 1 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.723 -0.162 25143 235 1 . 1 1 100 100 ASP CA C 100 53.912 53.912 53.849 0.063 25143 236 1 . 1 1 100 100 ASP CB C 100 40.580 40.580 41.846 -1.266 25143 237 1 . 1 1 100 100 ASP H H 100 8.383 8.383 8.315 0.068 25143 238 1 . 1 1 101 101 THR N N 101 116.696 116.696 115.586 1.110 25143 239 1 . 1 1 101 101 THR HA H 101 4.517 4.517 4.712 -0.195 25143 240 1 . 1 1 101 101 THR CA C 101 59.551 59.551 59.724 -0.173 25143 241 1 . 1 1 101 101 THR CB C 101 69.589 69.589 69.121 0.468 25143 242 1 . 1 1 101 101 THR H H 101 8.017 8.017 8.131 -0.114 25143 243 1 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.420 -0.084 25143 244 1 . 1 1 102 102 PRO CA C 102 62.884 62.884 63.317 -0.433 25143 245 1 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.066 -0.299 25143 246 1 . 1 1 103 103 ALA N N 103 125.184 125.184 122.114 3.070 25143 247 1 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.497 -0.212 25143 248 1 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.579 0.438 25143 249 1 . 1 1 103 103 ALA CB C 103 18.974 18.974 19.572 -0.598 25143 250 1 . 1 1 103 103 ALA H H 103 8.333 8.333 7.908 0.425 25143 stop_ save_