data_25376 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25376 _Entry.PDB_ID 2MWX 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 25376 _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 50 120.583 120.583 120.671 -0.088 25376 2 1 1 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.504 -0.336 25376 3 1 1 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.087 0.737 25376 4 1 1 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.477 -0.759 25376 5 1 1 . 1 1 50 50 GLU H H 50 8.300 8.300 8.317 -0.017 25376 6 1 1 . 1 1 51 51 GLU N N 51 121.142 121.142 120.966 0.176 25376 7 1 1 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.198 -0.074 25376 8 1 1 . 1 1 51 51 GLU CA C 51 56.362 56.362 57.609 -1.248 25376 9 1 1 . 1 1 51 51 GLU CB C 51 29.727 29.727 29.956 -0.229 25376 10 1 1 . 1 1 51 51 GLU H H 51 8.140 8.140 8.782 -0.642 25376 11 1 1 . 1 1 52 52 PHE N N 52 120.500 120.500 116.484 4.016 25376 12 1 1 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.880 -0.365 25376 13 1 1 . 1 1 52 52 PHE CA C 52 57.409 57.409 55.982 1.427 25376 14 1 1 . 1 1 52 52 PHE CB C 52 39.326 39.326 40.648 -1.322 25376 15 1 1 . 1 1 52 52 PHE H H 52 8.106 8.106 7.590 0.516 25376 16 1 1 . 1 1 53 53 GLN N N 53 121.616 121.616 122.976 -1.360 25376 17 1 1 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.381 -0.169 25376 18 1 1 . 1 1 53 53 GLN CA C 53 55.345 55.345 54.879 0.466 25376 19 1 1 . 1 1 53 53 GLN CB C 53 29.357 29.357 27.549 1.808 25376 20 1 1 . 1 1 53 53 GLN H H 53 8.047 8.047 8.711 -0.664 25376 21 1 1 . 1 1 54 54 PHE N N 54 120.217 120.217 120.086 0.131 25376 22 1 1 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.843 -0.195 25376 23 1 1 . 1 1 54 54 PHE CA C 54 56.824 56.824 56.817 0.007 25376 24 1 1 . 1 1 54 54 PHE CB C 54 39.522 39.522 42.489 -2.967 25376 25 1 1 . 1 1 54 54 PHE H H 54 7.956 7.956 7.527 0.429 25376 26 1 1 . 1 1 55 55 LEU N N 55 123.391 123.391 121.893 1.498 25376 27 1 1 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.533 -0.147 25376 28 1 1 . 1 1 55 55 LEU CA C 55 54.421 54.421 54.144 0.277 25376 29 1 1 . 1 1 55 55 LEU CB C 55 43.024 43.024 42.529 0.495 25376 30 1 1 . 1 1 55 55 LEU H H 55 8.567 8.567 8.219 0.348 25376 31 1 1 . 1 1 56 56 ARG N N 56 120.442 120.442 119.400 1.042 25376 32 1 1 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.676 -0.107 25376 33 1 1 . 1 1 56 56 ARG CA C 56 54.553 54.553 55.111 -0.557 25376 34 1 1 . 1 1 56 56 ARG CB C 56 31.817 31.817 31.494 0.323 25376 35 1 1 . 1 1 56 56 ARG H H 56 8.101 8.101 8.233 -0.132 25376 36 1 1 . 1 1 57 57 CYS N N 57 123.891 123.891 127.150 -3.259 25376 37 1 1 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.224 -0.271 25376 38 1 1 . 1 1 57 57 CYS CA C 57 59.135 59.135 60.040 -0.905 25376 39 1 1 . 1 1 57 57 CYS CB C 57 31.290 31.290 28.556 2.733 25376 40 1 1 . 1 1 57 57 CYS H H 57 8.828 8.828 8.505 0.323 25376 41 1 1 . 1 1 58 58 GLN N N 58 128.172 128.172 127.062 1.110 25376 42 1 1 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.036 0.085 25376 43 1 1 . 1 1 58 58 GLN CA C 58 58.528 58.528 57.396 1.132 25376 44 1 1 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.265 1.685 25376 45 1 1 . 1 1 58 58 GLN H H 58 9.222 9.222 8.375 0.847 25376 46 1 1 . 1 1 59 59 GLN N N 59 121.709 121.709 115.781 5.928 25376 47 1 1 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.326 0.263 25376 48 1 1 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.693 -0.084 25376 49 1 1 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.038 0.679 25376 50 1 1 . 1 1 59 59 GLN H H 59 9.200 9.200 7.494 1.706 25376 51 1 1 . 1 1 60 60 CYS N N 60 119.482 119.482 117.553 1.929 25376 52 1 1 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.688 0.106 25376 53 1 1 . 1 1 60 60 CYS CA C 60 59.458 59.458 59.486 -0.028 25376 54 1 1 . 1 1 60 60 CYS CB C 60 32.179 32.179 27.752 4.427 25376 55 1 1 . 1 1 60 60 CYS H H 60 8.566 8.566 7.677 0.889 25376 56 1 1 . 1 1 61 61 GLN N N 61 115.153 115.153 114.828 0.325 25376 57 1 1 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.941 0.212 25376 58 1 1 . 1 1 61 61 GLN CA C 61 57.979 57.979 56.566 1.413 25376 59 1 1 . 1 1 61 61 GLN CB C 61 25.342 25.342 25.557 -0.215 25376 60 1 1 . 1 1 61 61 GLN H H 61 7.672 7.672 8.476 -0.804 25376 61 1 1 . 1 1 62 62 ALA N N 62 124.669 124.669 120.147 4.522 25376 62 1 1 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.567 -0.130 25376 63 1 1 . 1 1 62 62 ALA CA C 62 52.064 52.064 50.987 1.077 25376 64 1 1 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.467 -0.645 25376 65 1 1 . 1 1 62 62 ALA H H 62 8.728 8.728 7.575 1.153 25376 66 1 1 . 1 1 63 63 GLU N N 63 119.649 119.649 118.979 0.670 25376 67 1 1 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.308 -0.271 25376 68 1 1 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.152 0.180 25376 69 1 1 . 1 1 63 63 GLU CB C 63 29.262 29.262 30.217 -0.955 25376 70 1 1 . 1 1 63 63 GLU H H 63 8.523 8.523 8.518 0.005 25376 71 1 1 . 1 1 64 64 ALA N N 64 128.762 128.762 128.388 0.374 25376 72 1 1 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.582 -0.196 25376 73 1 1 . 1 1 64 64 ALA CA C 64 50.354 50.354 50.971 -0.617 25376 74 1 1 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.540 -1.205 25376 75 1 1 . 1 1 64 64 ALA H H 64 8.581 8.581 8.522 0.059 25376 76 1 1 . 1 1 65 65 LYS N N 65 122.223 122.223 124.158 -1.935 25376 77 1 1 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.363 -0.282 25376 78 1 1 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.938 -1.883 25376 79 1 1 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.902 -0.596 25376 80 1 1 . 1 1 65 65 LYS H H 65 8.175 8.175 8.708 -0.533 25376 81 1 1 . 1 1 66 66 CYS N N 66 117.296 117.296 117.060 0.236 25376 82 1 1 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.736 -0.044 25376 83 1 1 . 1 1 66 66 CYS CA C 66 53.727 53.727 56.158 -2.431 25376 84 1 1 . 1 1 66 66 CYS H H 66 8.790 8.790 8.202 0.588 25376 85 1 1 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.659 -0.262 25376 86 1 1 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.727 0.102 25376 87 1 1 . 1 1 67 67 PRO CB C 67 31.785 31.785 32.296 -0.511 25376 88 1 1 . 1 1 68 68 LYS N N 68 121.724 121.724 118.851 2.873 25376 89 1 1 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.651 -0.366 25376 90 1 1 . 1 1 68 68 LYS CA C 68 54.929 54.929 54.445 0.484 25376 91 1 1 . 1 1 68 68 LYS CB C 68 33.327 33.327 36.325 -2.998 25376 92 1 1 . 1 1 68 68 LYS H H 68 8.662 8.662 8.212 0.450 25376 93 1 1 . 1 1 69 69 LEU N N 69 125.851 125.851 123.188 2.663 25376 94 1 1 . 1 1 69 69 LEU HA H 69 4.474 4.474 5.033 -0.559 25376 95 1 1 . 1 1 69 69 LEU CA C 69 54.454 54.454 53.914 0.539 25376 96 1 1 . 1 1 69 69 LEU CB C 69 41.720 41.720 41.147 0.573 25376 97 1 1 . 1 1 69 69 LEU H H 69 8.320 8.320 8.552 -0.232 25376 98 1 1 . 1 1 70 70 LEU N N 70 128.488 128.488 125.751 2.737 25376 99 1 1 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.182 0.466 25376 100 1 1 . 1 1 70 70 LEU CA C 70 53.127 53.127 54.943 -1.816 25376 101 1 1 . 1 1 70 70 LEU CB C 70 42.832 42.832 41.667 1.165 25376 102 1 1 . 1 1 70 70 LEU H H 70 8.677 8.677 7.979 0.698 25376 103 1 1 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.344 -0.068 25376 104 1 1 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.730 0.060 25376 105 1 1 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.590 -0.130 25376 106 1 1 . 1 1 72 72 CYS N N 72 112.135 112.135 116.793 -4.658 25376 107 1 1 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.605 -0.331 25376 108 1 1 . 1 1 72 72 CYS CA C 72 57.194 57.194 57.547 -0.353 25376 109 1 1 . 1 1 72 72 CYS CB C 72 31.085 31.085 25.712 5.372 25376 110 1 1 . 1 1 72 72 CYS H H 72 7.204 7.204 7.789 -0.585 25376 111 1 1 . 1 1 73 73 LEU N N 73 114.341 114.341 118.698 -4.357 25376 112 1 1 . 1 1 73 73 LEU HA H 73 3.868 3.868 4.031 -0.163 25376 113 1 1 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.257 1.243 25376 114 1 1 . 1 1 73 73 LEU CB C 73 37.671 37.671 39.021 -1.350 25376 115 1 1 . 1 1 73 73 LEU H H 73 8.043 8.043 7.474 0.569 25376 116 1 1 . 1 1 74 74 HIS N N 74 120.386 120.386 116.727 3.659 25376 117 1 1 . 1 1 74 74 HIS HA H 74 4.990 4.990 5.047 -0.057 25376 118 1 1 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.247 4.425 25376 119 1 1 . 1 1 74 74 HIS CB C 74 31.354 31.354 32.933 -1.579 25376 120 1 1 . 1 1 74 74 HIS H H 74 7.831 7.831 7.547 0.284 25376 121 1 1 . 1 1 75 75 THR N N 75 118.963 118.963 117.368 1.595 25376 122 1 1 . 1 1 75 75 THR HA H 75 4.730 4.730 4.716 0.014 25376 123 1 1 . 1 1 75 75 THR CA C 75 62.185 62.185 62.078 0.107 25376 124 1 1 . 1 1 75 75 THR CB C 75 69.640 69.640 69.753 -0.113 25376 125 1 1 . 1 1 75 75 THR H H 75 8.889 8.889 8.291 0.598 25376 126 1 1 . 1 1 76 76 LEU N N 76 128.330 128.330 127.160 1.170 25376 127 1 1 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.945 0.988 25376 128 1 1 . 1 1 76 76 LEU CA C 76 51.509 51.509 52.962 -1.453 25376 129 1 1 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.226 -1.032 25376 130 1 1 . 1 1 76 76 LEU H H 76 8.767 8.767 8.135 0.632 25376 131 1 1 . 1 1 77 77 CYS N N 77 119.360 119.360 116.880 2.480 25376 132 1 1 . 1 1 77 77 CYS HA H 77 4.732 4.732 4.928 -0.196 25376 133 1 1 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.329 0.541 25376 134 1 1 . 1 1 77 77 CYS CB C 77 31.698 31.698 29.256 2.442 25376 135 1 1 . 1 1 77 77 CYS H H 77 9.510 9.510 8.358 1.152 25376 136 1 1 . 1 1 78 78 SER N N 78 114.841 114.841 117.382 -2.541 25376 137 1 1 . 1 1 78 78 SER HA H 78 4.037 4.037 4.142 -0.105 25376 138 1 1 . 1 1 78 78 SER CA C 78 61.756 61.756 62.230 -0.474 25376 139 1 1 . 1 1 78 78 SER CB C 78 62.254 62.254 62.956 -0.702 25376 140 1 1 . 1 1 78 78 SER H H 78 8.593 8.593 8.618 -0.025 25376 141 1 1 . 1 1 79 79 GLY N N 79 111.904 111.904 108.390 3.514 25376 142 1 1 . 1 1 79 79 GLY CA C 79 46.777 46.777 46.954 -0.177 25376 143 1 1 . 1 1 79 79 GLY H H 79 8.391 8.391 8.779 -0.388 25376 144 1 1 . 1 1 80 80 CYS N N 80 126.807 126.807 119.707 7.100 25376 145 1 1 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.222 -0.268 25376 146 1 1 . 1 1 80 80 CYS CA C 80 65.189 65.189 62.240 2.949 25376 147 1 1 . 1 1 80 80 CYS CB C 80 28.846 28.846 26.059 2.787 25376 148 1 1 . 1 1 80 80 CYS H H 80 9.039 9.039 7.692 1.347 25376 149 1 1 . 1 1 81 81 LEU N N 81 120.440 120.440 121.338 -0.898 25376 150 1 1 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.096 0.036 25376 151 1 1 . 1 1 81 81 LEU CA C 81 57.443 57.443 58.036 -0.593 25376 152 1 1 . 1 1 81 81 LEU CB C 81 41.782 41.782 41.678 0.104 25376 153 1 1 . 1 1 81 81 LEU H H 81 8.109 8.109 7.928 0.181 25376 154 1 1 . 1 1 82 82 GLU N N 82 120.149 120.149 119.369 0.780 25376 155 1 1 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.145 -0.108 25376 156 1 1 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.200 0.119 25376 157 1 1 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.928 -1.001 25376 158 1 1 . 1 1 82 82 GLU H H 82 8.432 8.432 7.901 0.531 25376 159 1 1 . 1 1 83 83 ALA N N 83 120.334 120.334 123.006 -2.672 25376 160 1 1 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.276 0.023 25376 161 1 1 . 1 1 83 83 ALA CA C 83 53.543 53.543 54.352 -0.809 25376 162 1 1 . 1 1 83 83 ALA CB C 83 18.334 18.334 19.039 -0.705 25376 163 1 1 . 1 1 83 83 ALA H H 83 7.715 7.715 8.163 -0.448 25376 164 1 1 . 1 1 84 84 SER N N 84 112.368 112.368 114.177 -1.809 25376 165 1 1 . 1 1 84 84 SER HA H 84 4.494 4.494 4.470 0.024 25376 166 1 1 . 1 1 84 84 SER CA C 84 58.210 58.210 57.745 0.465 25376 167 1 1 . 1 1 84 84 SER CB C 84 63.837 63.837 63.271 0.566 25376 168 1 1 . 1 1 84 84 SER H H 84 7.570 7.570 7.793 -0.223 25376 169 1 1 . 1 1 85 85 GLY N N 85 110.612 110.612 109.368 1.244 25376 170 1 1 . 1 1 85 85 GLY CA C 85 46.841 46.841 46.079 0.762 25376 171 1 1 . 1 1 85 85 GLY H H 85 7.955 7.955 7.370 0.585 25376 172 1 1 . 1 1 86 86 MET N N 86 113.856 113.856 112.793 1.063 25376 173 1 1 . 1 1 86 86 MET HA H 86 3.804 3.804 3.948 -0.144 25376 174 1 1 . 1 1 86 86 MET CA C 86 55.160 55.160 56.157 -0.998 25376 175 1 1 . 1 1 86 86 MET CB C 86 28.494 28.494 29.789 -1.295 25376 176 1 1 . 1 1 86 86 MET H H 86 8.489 8.489 7.979 0.510 25376 177 1 1 . 1 1 87 87 GLN N N 87 116.394 116.394 117.548 -1.154 25376 178 1 1 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.187 0.262 25376 179 1 1 . 1 1 87 87 GLN CA C 87 53.404 53.404 57.549 -4.145 25376 180 1 1 . 1 1 87 87 GLN CB C 87 30.964 30.964 29.710 1.254 25376 181 1 1 . 1 1 87 87 GLN H H 87 7.188 7.188 7.697 -0.509 25376 182 1 1 . 1 1 88 88 CYS N N 88 124.484 124.484 119.043 5.441 25376 183 1 1 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.851 -0.551 25376 184 1 1 . 1 1 88 88 CYS CA C 88 57.101 57.101 57.213 -0.112 25376 185 1 1 . 1 1 88 88 CYS CB C 88 31.117 31.117 26.508 4.609 25376 186 1 1 . 1 1 88 88 CYS H H 88 8.616 8.616 8.654 -0.038 25376 187 1 1 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.405 0.104 25376 188 1 1 . 1 1 89 89 PRO CA C 89 63.715 63.715 65.091 -1.376 25376 189 1 1 . 1 1 89 89 PRO CB C 89 31.717 31.717 32.194 -0.477 25376 190 1 1 . 1 1 90 90 ILE N N 90 123.484 123.484 115.753 7.731 25376 191 1 1 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.753 0.030 25376 192 1 1 . 1 1 90 90 ILE CA C 90 62.878 62.878 60.788 2.090 25376 193 1 1 . 1 1 90 90 ILE CB C 90 37.483 37.483 35.395 2.088 25376 194 1 1 . 1 1 90 90 ILE H H 90 8.908 8.908 8.031 0.877 25376 195 1 1 . 1 1 91 91 CYS N N 91 120.890 120.890 117.304 3.586 25376 196 1 1 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.300 0.217 25376 197 1 1 . 1 1 91 91 CYS CA C 91 60.891 60.891 60.076 0.815 25376 198 1 1 . 1 1 91 91 CYS CB C 91 31.244 31.244 25.761 5.483 25376 199 1 1 . 1 1 91 91 CYS H H 91 8.587 8.587 7.569 1.018 25376 200 1 1 . 1 1 92 92 GLN N N 92 116.563 116.563 119.276 -2.713 25376 201 1 1 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.050 0.082 25376 202 1 1 . 1 1 92 92 GLN CA C 92 56.824 56.824 57.825 -1.001 25376 203 1 1 . 1 1 92 92 GLN CB C 92 27.216 27.216 29.068 -1.852 25376 204 1 1 . 1 1 92 92 GLN H H 92 7.787 7.787 7.794 -0.007 25376 205 1 1 . 1 1 93 93 ALA N N 93 125.273 125.273 120.258 5.015 25376 206 1 1 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.764 -0.203 25376 207 1 1 . 1 1 93 93 ALA CA C 93 50.862 50.862 49.513 1.349 25376 208 1 1 . 1 1 93 93 ALA CB C 93 18.415 18.415 20.634 -2.219 25376 209 1 1 . 1 1 93 93 ALA H H 93 8.031 8.031 7.416 0.615 25376 210 1 1 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.594 -0.056 25376 211 1 1 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.568 -0.055 25376 212 1 1 . 1 1 94 94 PRO CB C 94 31.684 31.684 29.954 1.730 25376 213 1 1 . 1 1 95 95 TRP N N 95 121.986 121.986 125.206 -3.220 25376 214 1 1 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.767 0.275 25376 215 1 1 . 1 1 95 95 TRP CA C 95 54.005 54.005 53.985 0.020 25376 216 1 1 . 1 1 95 95 TRP CB C 95 28.846 28.846 28.125 0.721 25376 217 1 1 . 1 1 95 95 TRP H H 95 8.012 8.012 8.332 -0.320 25376 218 1 1 . 1 1 96 96 PRO HA H 96 4.490 4.490 4.184 0.306 25376 219 1 1 . 1 1 96 96 PRO CA C 96 62.900 62.900 62.523 0.377 25376 220 1 1 . 1 1 96 96 PRO CB C 96 31.550 31.550 31.693 -0.143 25376 221 1 1 . 1 1 97 97 LEU N N 97 122.075 122.075 123.661 -1.586 25376 222 1 1 . 1 1 97 97 LEU HA H 97 4.299 4.299 3.423 0.876 25376 223 1 1 . 1 1 97 97 LEU CA C 97 55.206 55.206 54.625 0.581 25376 224 1 1 . 1 1 97 97 LEU CB C 97 42.046 42.046 42.209 -0.163 25376 225 1 1 . 1 1 97 97 LEU H H 97 8.224 8.224 7.891 0.333 25376 226 1 1 . 1 1 98 98 GLY N N 98 110.020 110.020 106.400 3.620 25376 227 1 1 . 1 1 98 98 GLY CA C 98 45.085 45.085 44.794 0.291 25376 228 1 1 . 1 1 98 98 GLY H H 98 8.444 8.444 8.785 -0.341 25376 229 1 1 . 1 1 99 99 ALA N N 99 123.511 123.511 125.252 -1.741 25376 230 1 1 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.657 -0.358 25376 231 1 1 . 1 1 99 99 ALA CA C 99 52.249 52.249 51.512 0.737 25376 232 1 1 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.698 -0.762 25376 233 1 1 . 1 1 99 99 ALA H H 99 8.176 8.176 7.888 0.288 25376 234 1 1 . 1 1 100 100 ASP N N 100 119.098 119.098 119.991 -0.893 25376 235 1 1 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.916 -0.355 25376 236 1 1 . 1 1 100 100 ASP CA C 100 53.912 53.912 54.098 -0.186 25376 237 1 1 . 1 1 100 100 ASP CB C 100 40.580 40.580 41.841 -1.261 25376 238 1 1 . 1 1 100 100 ASP H H 100 8.383 8.383 8.463 -0.080 25376 239 1 1 . 1 1 101 101 THR N N 101 116.696 116.696 114.427 2.269 25376 240 1 1 . 1 1 101 101 THR HA H 101 4.517 4.517 4.710 -0.193 25376 241 1 1 . 1 1 101 101 THR CA C 101 59.551 59.551 59.239 0.312 25376 242 1 1 . 1 1 101 101 THR CB C 101 69.589 69.589 70.662 -1.073 25376 243 1 1 . 1 1 101 101 THR H H 101 8.017 8.017 8.039 -0.022 25376 244 1 1 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.418 -0.082 25376 245 1 1 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.520 0.364 25376 246 1 1 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.527 -0.760 25376 247 1 1 . 1 1 103 103 ALA N N 103 125.184 125.184 121.592 3.592 25376 248 1 1 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.328 -0.043 25376 249 1 1 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.206 0.811 25376 250 1 1 . 1 1 103 103 ALA CB C 103 18.974 18.974 19.225 -0.251 25376 251 1 1 . 1 1 103 103 ALA H H 103 8.333 8.333 8.093 0.240 25376 252 1 2 . 1 1 50 50 GLU N N 50 120.583 120.583 121.154 -0.571 25376 253 1 2 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.645 -0.477 25376 254 1 2 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.082 0.742 25376 255 1 2 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.789 -1.071 25376 256 1 2 . 1 1 50 50 GLU H H 50 8.300 8.300 8.570 -0.270 25376 257 1 2 . 1 1 51 51 GLU N N 51 121.142 121.142 120.332 0.810 25376 258 1 2 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.358 -0.234 25376 259 1 2 . 1 1 51 51 GLU CA C 51 56.362 56.362 55.992 0.370 25376 260 1 2 . 1 1 51 51 GLU CB C 51 29.727 29.727 31.847 -2.120 25376 261 1 2 . 1 1 51 51 GLU H H 51 8.140 8.140 8.544 -0.404 25376 262 1 2 . 1 1 52 52 PHE N N 52 120.500 120.500 120.570 -0.070 25376 263 1 2 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.779 -0.264 25376 264 1 2 . 1 1 52 52 PHE CA C 52 57.409 57.409 57.250 0.159 25376 265 1 2 . 1 1 52 52 PHE CB C 52 39.326 39.326 39.915 -0.589 25376 266 1 2 . 1 1 52 52 PHE H H 52 8.106 8.106 7.853 0.253 25376 267 1 2 . 1 1 53 53 GLN N N 53 121.616 121.616 121.652 -0.036 25376 268 1 2 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.476 -0.264 25376 269 1 2 . 1 1 53 53 GLN CA C 53 55.345 55.345 55.334 0.011 25376 270 1 2 . 1 1 53 53 GLN CB C 53 29.357 29.357 27.047 2.310 25376 271 1 2 . 1 1 53 53 GLN H H 53 8.047 8.047 8.845 -0.798 25376 272 1 2 . 1 1 54 54 PHE N N 54 120.217 120.217 119.821 0.396 25376 273 1 2 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.826 -0.178 25376 274 1 2 . 1 1 54 54 PHE CA C 54 56.824 56.824 57.866 -1.042 25376 275 1 2 . 1 1 54 54 PHE CB C 54 39.522 39.522 42.119 -2.597 25376 276 1 2 . 1 1 54 54 PHE H H 54 7.956 7.956 7.951 0.005 25376 277 1 2 . 1 1 55 55 LEU N N 55 123.391 123.391 120.746 2.645 25376 278 1 2 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.849 -0.463 25376 279 1 2 . 1 1 55 55 LEU CA C 55 54.421 54.421 53.727 0.694 25376 280 1 2 . 1 1 55 55 LEU CB C 55 43.024 43.024 43.319 -0.295 25376 281 1 2 . 1 1 55 55 LEU H H 55 8.567 8.567 8.984 -0.417 25376 282 1 2 . 1 1 56 56 ARG N N 56 120.442 120.442 119.669 0.773 25376 283 1 2 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.671 -0.102 25376 284 1 2 . 1 1 56 56 ARG CA C 56 54.553 54.553 55.068 -0.515 25376 285 1 2 . 1 1 56 56 ARG CB C 56 31.817 31.817 31.518 0.299 25376 286 1 2 . 1 1 56 56 ARG H H 56 8.101 8.101 8.257 -0.156 25376 287 1 2 . 1 1 57 57 CYS N N 57 123.891 123.891 127.432 -3.541 25376 288 1 2 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.329 -0.376 25376 289 1 2 . 1 1 57 57 CYS CA C 57 59.135 59.135 59.777 -0.642 25376 290 1 2 . 1 1 57 57 CYS CB C 57 31.290 31.290 28.248 3.042 25376 291 1 2 . 1 1 57 57 CYS H H 57 8.828 8.828 8.519 0.309 25376 292 1 2 . 1 1 58 58 GLN N N 58 128.172 128.172 127.105 1.067 25376 293 1 2 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.055 0.066 25376 294 1 2 . 1 1 58 58 GLN CA C 58 58.528 58.528 57.424 1.104 25376 295 1 2 . 1 1 58 58 GLN CB C 58 29.950 29.950 27.739 2.211 25376 296 1 2 . 1 1 58 58 GLN H H 58 9.222 9.222 8.380 0.842 25376 297 1 2 . 1 1 59 59 GLN N N 59 121.709 121.709 115.071 6.638 25376 298 1 2 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.322 0.267 25376 299 1 2 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.537 0.072 25376 300 1 2 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.169 0.548 25376 301 1 2 . 1 1 59 59 GLN H H 59 9.200 9.200 7.523 1.677 25376 302 1 2 . 1 1 60 60 CYS N N 60 119.482 119.482 117.562 1.920 25376 303 1 2 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.728 0.066 25376 304 1 2 . 1 1 60 60 CYS CA C 60 59.458 59.458 58.927 0.531 25376 305 1 2 . 1 1 60 60 CYS CB C 60 32.179 32.179 27.892 4.287 25376 306 1 2 . 1 1 60 60 CYS H H 60 8.566 8.566 7.888 0.678 25376 307 1 2 . 1 1 61 61 GLN N N 61 115.153 115.153 115.928 -0.775 25376 308 1 2 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.941 0.212 25376 309 1 2 . 1 1 61 61 GLN CA C 61 57.979 57.979 56.821 1.158 25376 310 1 2 . 1 1 61 61 GLN CB C 61 25.342 25.342 25.493 -0.151 25376 311 1 2 . 1 1 61 61 GLN H H 61 7.672 7.672 8.284 -0.612 25376 312 1 2 . 1 1 62 62 ALA N N 62 124.669 124.669 118.931 5.738 25376 313 1 2 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.612 -0.175 25376 314 1 2 . 1 1 62 62 ALA CA C 62 52.064 52.064 50.333 1.731 25376 315 1 2 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.828 -1.006 25376 316 1 2 . 1 1 62 62 ALA H H 62 8.728 8.728 7.503 1.225 25376 317 1 2 . 1 1 63 63 GLU N N 63 119.649 119.649 119.768 -0.119 25376 318 1 2 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.219 -0.182 25376 319 1 2 . 1 1 63 63 GLU CA C 63 57.332 57.332 56.740 0.592 25376 320 1 2 . 1 1 63 63 GLU CB C 63 29.262 29.262 30.341 -1.079 25376 321 1 2 . 1 1 63 63 GLU H H 63 8.523 8.523 8.489 0.034 25376 322 1 2 . 1 1 64 64 ALA N N 64 128.762 128.762 128.450 0.312 25376 323 1 2 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.722 -0.336 25376 324 1 2 . 1 1 64 64 ALA CA C 64 50.354 50.354 50.891 -0.537 25376 325 1 2 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.807 -1.472 25376 326 1 2 . 1 1 64 64 ALA H H 64 8.581 8.581 8.503 0.078 25376 327 1 2 . 1 1 65 65 LYS N N 65 122.223 122.223 124.357 -2.134 25376 328 1 2 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.308 -0.227 25376 329 1 2 . 1 1 65 65 LYS CA C 65 57.055 57.055 59.279 -2.224 25376 330 1 2 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.890 -0.584 25376 331 1 2 . 1 1 65 65 LYS H H 65 8.175 8.175 8.635 -0.460 25376 332 1 2 . 1 1 66 66 CYS N N 66 117.296 117.296 117.247 0.049 25376 333 1 2 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.758 -0.066 25376 334 1 2 . 1 1 66 66 CYS CA C 66 53.727 53.727 56.098 -2.371 25376 335 1 2 . 1 1 66 66 CYS H H 66 8.790 8.790 8.293 0.497 25376 336 1 2 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.588 -0.191 25376 337 1 2 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.700 0.129 25376 338 1 2 . 1 1 67 67 PRO CB C 67 31.785 31.785 32.326 -0.541 25376 339 1 2 . 1 1 68 68 LYS N N 68 121.724 121.724 119.911 1.813 25376 340 1 2 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.675 -0.390 25376 341 1 2 . 1 1 68 68 LYS CA C 68 54.929 54.929 54.827 0.102 25376 342 1 2 . 1 1 68 68 LYS CB C 68 33.327 33.327 36.068 -2.741 25376 343 1 2 . 1 1 68 68 LYS H H 68 8.662 8.662 8.163 0.499 25376 344 1 2 . 1 1 69 69 LEU N N 69 125.851 125.851 124.233 1.618 25376 345 1 2 . 1 1 69 69 LEU HA H 69 4.474 4.474 4.934 -0.460 25376 346 1 2 . 1 1 69 69 LEU CA C 69 54.454 54.454 53.627 0.827 25376 347 1 2 . 1 1 69 69 LEU CB C 69 41.720 41.720 41.896 -0.176 25376 348 1 2 . 1 1 69 69 LEU H H 69 8.320 8.320 8.588 -0.268 25376 349 1 2 . 1 1 70 70 LEU N N 70 128.488 128.488 125.691 2.797 25376 350 1 2 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.212 0.436 25376 351 1 2 . 1 1 70 70 LEU CA C 70 53.127 53.127 54.823 -1.696 25376 352 1 2 . 1 1 70 70 LEU CB C 70 42.832 42.832 41.570 1.262 25376 353 1 2 . 1 1 70 70 LEU H H 70 8.677 8.677 7.844 0.833 25376 354 1 2 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.368 -0.092 25376 355 1 2 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.564 0.226 25376 356 1 2 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.534 -0.074 25376 357 1 2 . 1 1 72 72 CYS N N 72 112.135 112.135 115.527 -3.392 25376 358 1 2 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.573 -0.299 25376 359 1 2 . 1 1 72 72 CYS CA C 72 57.194 57.194 58.138 -0.944 25376 360 1 2 . 1 1 72 72 CYS CB C 72 31.085 31.085 25.857 5.228 25376 361 1 2 . 1 1 72 72 CYS H H 72 7.204 7.204 7.788 -0.584 25376 362 1 2 . 1 1 73 73 LEU N N 73 114.341 114.341 116.741 -2.400 25376 363 1 2 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.970 -0.102 25376 364 1 2 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.399 1.101 25376 365 1 2 . 1 1 73 73 LEU CB C 73 37.671 37.671 38.862 -1.192 25376 366 1 2 . 1 1 73 73 LEU H H 73 8.043 8.043 7.424 0.619 25376 367 1 2 . 1 1 74 74 HIS N N 74 120.386 120.386 117.782 2.604 25376 368 1 2 . 1 1 74 74 HIS HA H 74 4.990 4.990 5.038 -0.048 25376 369 1 2 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.061 4.611 25376 370 1 2 . 1 1 74 74 HIS CB C 74 31.354 31.354 31.734 -0.380 25376 371 1 2 . 1 1 74 74 HIS H H 74 7.831 7.831 7.525 0.306 25376 372 1 2 . 1 1 75 75 THR N N 75 118.963 118.963 117.500 1.463 25376 373 1 2 . 1 1 75 75 THR HA H 75 4.730 4.730 4.574 0.156 25376 374 1 2 . 1 1 75 75 THR CA C 75 62.185 62.185 62.256 -0.071 25376 375 1 2 . 1 1 75 75 THR CB C 75 69.640 69.640 69.744 -0.104 25376 376 1 2 . 1 1 75 75 THR H H 75 8.889 8.889 8.250 0.639 25376 377 1 2 . 1 1 76 76 LEU N N 76 128.330 128.330 127.605 0.725 25376 378 1 2 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.879 1.054 25376 379 1 2 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.015 -1.506 25376 380 1 2 . 1 1 76 76 LEU CB C 76 46.194 46.194 46.867 -0.673 25376 381 1 2 . 1 1 76 76 LEU H H 76 8.767 8.767 8.097 0.670 25376 382 1 2 . 1 1 77 77 CYS N N 77 119.360 119.360 117.122 2.238 25376 383 1 2 . 1 1 77 77 CYS HA H 77 4.732 4.732 4.972 -0.240 25376 384 1 2 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.336 0.534 25376 385 1 2 . 1 1 77 77 CYS CB C 77 31.698 31.698 29.390 2.308 25376 386 1 2 . 1 1 77 77 CYS H H 77 9.510 9.510 8.400 1.110 25376 387 1 2 . 1 1 78 78 SER N N 78 114.841 114.841 117.351 -2.510 25376 388 1 2 . 1 1 78 78 SER HA H 78 4.037 4.037 4.142 -0.105 25376 389 1 2 . 1 1 78 78 SER CA C 78 61.756 61.756 61.785 -0.029 25376 390 1 2 . 1 1 78 78 SER CB C 78 62.254 62.254 63.010 -0.756 25376 391 1 2 . 1 1 78 78 SER H H 78 8.593 8.593 8.624 -0.031 25376 392 1 2 . 1 1 79 79 GLY N N 79 111.904 111.904 108.895 3.009 25376 393 1 2 . 1 1 79 79 GLY CA C 79 46.777 46.777 46.986 -0.209 25376 394 1 2 . 1 1 79 79 GLY H H 79 8.391 8.391 8.788 -0.397 25376 395 1 2 . 1 1 80 80 CYS N N 80 126.807 126.807 120.291 6.516 25376 396 1 2 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.493 -0.539 25376 397 1 2 . 1 1 80 80 CYS CA C 80 65.189 65.189 61.456 3.733 25376 398 1 2 . 1 1 80 80 CYS CB C 80 28.846 28.846 26.038 2.808 25376 399 1 2 . 1 1 80 80 CYS H H 80 9.039 9.039 7.825 1.214 25376 400 1 2 . 1 1 81 81 LEU N N 81 120.440 120.440 121.618 -1.178 25376 401 1 2 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.033 0.099 25376 402 1 2 . 1 1 81 81 LEU CA C 81 57.443 57.443 57.928 -0.485 25376 403 1 2 . 1 1 81 81 LEU CB C 81 41.782 41.782 40.883 0.899 25376 404 1 2 . 1 1 81 81 LEU H H 81 8.109 8.109 8.049 0.060 25376 405 1 2 . 1 1 82 82 GLU N N 82 120.149 120.149 119.299 0.850 25376 406 1 2 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.129 -0.092 25376 407 1 2 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.278 0.041 25376 408 1 2 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.956 -1.029 25376 409 1 2 . 1 1 82 82 GLU H H 82 8.432 8.432 7.915 0.517 25376 410 1 2 . 1 1 83 83 ALA N N 83 120.334 120.334 123.835 -3.501 25376 411 1 2 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.199 0.100 25376 412 1 2 . 1 1 83 83 ALA CA C 83 53.543 53.543 54.867 -1.324 25376 413 1 2 . 1 1 83 83 ALA CB C 83 18.334 18.334 18.750 -0.416 25376 414 1 2 . 1 1 83 83 ALA H H 83 7.715 7.715 8.195 -0.480 25376 415 1 2 . 1 1 84 84 SER N N 84 112.368 112.368 113.555 -1.187 25376 416 1 2 . 1 1 84 84 SER HA H 84 4.494 4.494 4.545 -0.051 25376 417 1 2 . 1 1 84 84 SER CA C 84 58.210 58.210 58.214 -0.004 25376 418 1 2 . 1 1 84 84 SER CB C 84 63.837 63.837 63.456 0.381 25376 419 1 2 . 1 1 84 84 SER H H 84 7.570 7.570 7.840 -0.270 25376 420 1 2 . 1 1 85 85 GLY N N 85 110.612 110.612 110.291 0.321 25376 421 1 2 . 1 1 85 85 GLY CA C 85 46.841 46.841 46.198 0.643 25376 422 1 2 . 1 1 85 85 GLY H H 85 7.955 7.955 7.538 0.417 25376 423 1 2 . 1 1 86 86 MET N N 86 113.856 113.856 112.706 1.150 25376 424 1 2 . 1 1 86 86 MET HA H 86 3.804 3.804 3.977 -0.173 25376 425 1 2 . 1 1 86 86 MET CA C 86 55.160 55.160 56.202 -1.042 25376 426 1 2 . 1 1 86 86 MET CB C 86 28.494 28.494 29.682 -1.188 25376 427 1 2 . 1 1 86 86 MET H H 86 8.489 8.489 8.157 0.332 25376 428 1 2 . 1 1 87 87 GLN N N 87 116.394 116.394 118.490 -2.096 25376 429 1 2 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.226 0.223 25376 430 1 2 . 1 1 87 87 GLN CA C 87 53.404 53.404 57.383 -3.979 25376 431 1 2 . 1 1 87 87 GLN CB C 87 30.964 30.964 29.901 1.063 25376 432 1 2 . 1 1 87 87 GLN H H 87 7.188 7.188 7.812 -0.624 25376 433 1 2 . 1 1 88 88 CYS N N 88 124.484 124.484 120.649 3.835 25376 434 1 2 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.980 -0.680 25376 435 1 2 . 1 1 88 88 CYS CA C 88 57.101 57.101 56.583 0.518 25376 436 1 2 . 1 1 88 88 CYS CB C 88 31.117 31.117 26.476 4.641 25376 437 1 2 . 1 1 88 88 CYS H H 88 8.616 8.616 8.605 0.011 25376 438 1 2 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.336 0.173 25376 439 1 2 . 1 1 89 89 PRO CA C 89 63.715 63.715 65.089 -1.374 25376 440 1 2 . 1 1 89 89 PRO CB C 89 31.717 31.717 31.990 -0.273 25376 441 1 2 . 1 1 90 90 ILE N N 90 123.484 123.484 116.876 6.608 25376 442 1 2 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.761 0.022 25376 443 1 2 . 1 1 90 90 ILE CA C 90 62.878 62.878 60.746 2.132 25376 444 1 2 . 1 1 90 90 ILE CB C 90 37.483 37.483 35.658 1.825 25376 445 1 2 . 1 1 90 90 ILE H H 90 8.908 8.908 7.963 0.945 25376 446 1 2 . 1 1 91 91 CYS N N 91 120.890 120.890 117.990 2.900 25376 447 1 2 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.309 0.208 25376 448 1 2 . 1 1 91 91 CYS CA C 91 60.891 60.891 60.664 0.227 25376 449 1 2 . 1 1 91 91 CYS CB C 91 31.244 31.244 25.816 5.428 25376 450 1 2 . 1 1 91 91 CYS H H 91 8.587 8.587 7.684 0.903 25376 451 1 2 . 1 1 92 92 GLN N N 92 116.563 116.563 119.489 -2.926 25376 452 1 2 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.144 -0.012 25376 453 1 2 . 1 1 92 92 GLN CA C 92 56.824 56.824 57.702 -0.877 25376 454 1 2 . 1 1 92 92 GLN CB C 92 27.216 27.216 29.264 -2.048 25376 455 1 2 . 1 1 92 92 GLN H H 92 7.787 7.787 7.873 -0.086 25376 456 1 2 . 1 1 93 93 ALA N N 93 125.273 125.273 121.149 4.124 25376 457 1 2 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.799 -0.238 25376 458 1 2 . 1 1 93 93 ALA CA C 93 50.862 50.862 49.322 1.540 25376 459 1 2 . 1 1 93 93 ALA CB C 93 18.415 18.415 20.117 -1.702 25376 460 1 2 . 1 1 93 93 ALA H H 93 8.031 8.031 7.457 0.574 25376 461 1 2 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.602 -0.064 25376 462 1 2 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.479 0.034 25376 463 1 2 . 1 1 94 94 PRO CB C 94 31.684 31.684 29.923 1.761 25376 464 1 2 . 1 1 95 95 TRP N N 95 121.986 121.986 124.493 -2.507 25376 465 1 2 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.628 0.414 25376 466 1 2 . 1 1 95 95 TRP CA C 95 54.005 54.005 54.632 -0.627 25376 467 1 2 . 1 1 95 95 TRP CB C 95 28.846 28.846 28.158 0.688 25376 468 1 2 . 1 1 95 95 TRP H H 95 8.012 8.012 8.406 -0.394 25376 469 1 2 . 1 1 96 96 PRO HA H 96 4.490 4.490 4.061 0.429 25376 470 1 2 . 1 1 96 96 PRO CA C 96 62.900 62.900 62.351 0.549 25376 471 1 2 . 1 1 96 96 PRO CB C 96 31.550 31.550 31.662 -0.112 25376 472 1 2 . 1 1 97 97 LEU N N 97 122.075 122.075 123.016 -0.941 25376 473 1 2 . 1 1 97 97 LEU HA H 97 4.299 4.299 3.491 0.808 25376 474 1 2 . 1 1 97 97 LEU CA C 97 55.206 55.206 55.530 -0.324 25376 475 1 2 . 1 1 97 97 LEU CB C 97 42.046 42.046 41.898 0.148 25376 476 1 2 . 1 1 97 97 LEU H H 97 8.224 8.224 7.999 0.225 25376 477 1 2 . 1 1 98 98 GLY N N 98 110.020 110.020 109.597 0.423 25376 478 1 2 . 1 1 98 98 GLY CA C 98 45.085 45.085 45.145 -0.060 25376 479 1 2 . 1 1 98 98 GLY H H 98 8.444 8.444 8.817 -0.373 25376 480 1 2 . 1 1 99 99 ALA N N 99 123.511 123.511 123.718 -0.207 25376 481 1 2 . 1 1 99 99 ALA HA H 99 4.299 4.299 3.972 0.327 25376 482 1 2 . 1 1 99 99 ALA CA C 99 52.249 52.249 52.874 -0.625 25376 483 1 2 . 1 1 99 99 ALA CB C 99 18.936 18.936 17.600 1.336 25376 484 1 2 . 1 1 99 99 ALA H H 99 8.176 8.176 8.254 -0.078 25376 485 1 2 . 1 1 100 100 ASP N N 100 119.098 119.098 119.306 -0.208 25376 486 1 2 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.665 -0.104 25376 487 1 2 . 1 1 100 100 ASP CA C 100 53.912 53.912 54.232 -0.320 25376 488 1 2 . 1 1 100 100 ASP CB C 100 40.580 40.580 41.464 -0.884 25376 489 1 2 . 1 1 100 100 ASP H H 100 8.383 8.383 8.303 0.080 25376 490 1 2 . 1 1 101 101 THR N N 101 116.696 116.696 117.549 -0.853 25376 491 1 2 . 1 1 101 101 THR HA H 101 4.517 4.517 4.370 0.147 25376 492 1 2 . 1 1 101 101 THR CA C 101 59.551 59.551 60.557 -1.006 25376 493 1 2 . 1 1 101 101 THR CB C 101 69.589 69.589 68.729 0.860 25376 494 1 2 . 1 1 101 101 THR H H 101 8.017 8.017 8.116 -0.099 25376 495 1 2 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.380 -0.044 25376 496 1 2 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.604 0.280 25376 497 1 2 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.367 -0.600 25376 498 1 2 . 1 1 103 103 ALA N N 103 125.184 125.184 123.200 1.984 25376 499 1 2 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.294 -0.009 25376 500 1 2 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.532 0.484 25376 501 1 2 . 1 1 103 103 ALA CB C 103 18.974 18.974 19.488 -0.514 25376 502 1 2 . 1 1 103 103 ALA H H 103 8.333 8.333 8.199 0.134 25376 503 1 3 . 1 1 50 50 GLU N N 50 120.583 120.583 124.752 -4.169 25376 504 1 3 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.320 -0.152 25376 505 1 3 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.112 0.712 25376 506 1 3 . 1 1 50 50 GLU CB C 50 29.718 29.718 29.589 0.129 25376 507 1 3 . 1 1 50 50 GLU H H 50 8.300 8.300 8.460 -0.160 25376 508 1 3 . 1 1 51 51 GLU N N 51 121.142 121.142 124.698 -3.556 25376 509 1 3 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.224 -0.100 25376 510 1 3 . 1 1 51 51 GLU CA C 51 56.362 56.362 56.305 0.057 25376 511 1 3 . 1 1 51 51 GLU CB C 51 29.727 29.727 30.292 -0.565 25376 512 1 3 . 1 1 51 51 GLU H H 51 8.140 8.140 8.735 -0.595 25376 513 1 3 . 1 1 52 52 PHE N N 52 120.500 120.500 119.036 1.464 25376 514 1 3 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.603 -0.088 25376 515 1 3 . 1 1 52 52 PHE CA C 52 57.409 57.409 56.941 0.468 25376 516 1 3 . 1 1 52 52 PHE CB C 52 39.326 39.326 41.419 -2.093 25376 517 1 3 . 1 1 52 52 PHE H H 52 8.106 8.106 8.109 -0.003 25376 518 1 3 . 1 1 53 53 GLN N N 53 121.616 121.616 124.941 -3.325 25376 519 1 3 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.063 0.149 25376 520 1 3 . 1 1 53 53 GLN CA C 53 55.345 55.345 55.620 -0.275 25376 521 1 3 . 1 1 53 53 GLN CB C 53 29.357 29.357 29.101 0.256 25376 522 1 3 . 1 1 53 53 GLN H H 53 8.047 8.047 7.887 0.160 25376 523 1 3 . 1 1 54 54 PHE N N 54 120.217 120.217 118.697 1.520 25376 524 1 3 . 1 1 54 54 PHE HA H 54 4.648 4.648 5.012 -0.364 25376 525 1 3 . 1 1 54 54 PHE CA C 54 56.824 56.824 55.869 0.955 25376 526 1 3 . 1 1 54 54 PHE CB C 54 39.522 39.522 39.630 -0.108 25376 527 1 3 . 1 1 54 54 PHE H H 54 7.956 7.956 8.109 -0.153 25376 528 1 3 . 1 1 55 55 LEU N N 55 123.391 123.391 121.522 1.869 25376 529 1 3 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.609 -0.223 25376 530 1 3 . 1 1 55 55 LEU CA C 55 54.421 54.421 54.537 -0.116 25376 531 1 3 . 1 1 55 55 LEU CB C 55 43.024 43.024 42.252 0.772 25376 532 1 3 . 1 1 55 55 LEU H H 55 8.567 8.567 8.723 -0.156 25376 533 1 3 . 1 1 56 56 ARG N N 56 120.442 120.442 119.310 1.132 25376 534 1 3 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.651 -0.082 25376 535 1 3 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.797 -0.244 25376 536 1 3 . 1 1 56 56 ARG CB C 56 31.817 31.817 31.621 0.196 25376 537 1 3 . 1 1 56 56 ARG H H 56 8.101 8.101 8.267 -0.166 25376 538 1 3 . 1 1 57 57 CYS N N 57 123.891 123.891 127.546 -3.655 25376 539 1 3 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.333 -0.380 25376 540 1 3 . 1 1 57 57 CYS CA C 57 59.135 59.135 59.776 -0.641 25376 541 1 3 . 1 1 57 57 CYS CB C 57 31.290 31.290 28.217 3.073 25376 542 1 3 . 1 1 57 57 CYS H H 57 8.828 8.828 8.446 0.382 25376 543 1 3 . 1 1 58 58 GLN N N 58 128.172 128.172 127.136 1.036 25376 544 1 3 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.007 0.114 25376 545 1 3 . 1 1 58 58 GLN CA C 58 58.528 58.528 57.099 1.429 25376 546 1 3 . 1 1 58 58 GLN CB C 58 29.950 29.950 27.384 2.566 25376 547 1 3 . 1 1 58 58 GLN H H 58 9.222 9.222 8.394 0.828 25376 548 1 3 . 1 1 59 59 GLN N N 59 121.709 121.709 114.944 6.765 25376 549 1 3 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.299 0.290 25376 550 1 3 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.436 0.173 25376 551 1 3 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.165 0.552 25376 552 1 3 . 1 1 59 59 GLN H H 59 9.200 9.200 7.494 1.706 25376 553 1 3 . 1 1 60 60 CYS N N 60 119.482 119.482 117.442 2.040 25376 554 1 3 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.678 0.116 25376 555 1 3 . 1 1 60 60 CYS CA C 60 59.458 59.458 59.413 0.045 25376 556 1 3 . 1 1 60 60 CYS CB C 60 32.179 32.179 27.808 4.372 25376 557 1 3 . 1 1 60 60 CYS H H 60 8.566 8.566 7.624 0.942 25376 558 1 3 . 1 1 61 61 GLN N N 61 115.153 115.153 114.996 0.157 25376 559 1 3 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.902 0.251 25376 560 1 3 . 1 1 61 61 GLN CA C 61 57.979 57.979 56.627 1.352 25376 561 1 3 . 1 1 61 61 GLN CB C 61 25.342 25.342 25.491 -0.149 25376 562 1 3 . 1 1 61 61 GLN H H 61 7.672 7.672 8.479 -0.807 25376 563 1 3 . 1 1 62 62 ALA N N 62 124.669 124.669 120.041 4.628 25376 564 1 3 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.521 -0.084 25376 565 1 3 . 1 1 62 62 ALA CA C 62 52.064 52.064 50.928 1.136 25376 566 1 3 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.463 -0.641 25376 567 1 3 . 1 1 62 62 ALA H H 62 8.728 8.728 7.523 1.205 25376 568 1 3 . 1 1 63 63 GLU N N 63 119.649 119.649 118.862 0.787 25376 569 1 3 . 1 1 63 63 GLU HA H 63 4.037 4.037 3.938 0.099 25376 570 1 3 . 1 1 63 63 GLU CA C 63 57.332 57.332 56.999 0.333 25376 571 1 3 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.824 -0.562 25376 572 1 3 . 1 1 63 63 GLU H H 63 8.523 8.523 8.401 0.122 25376 573 1 3 . 1 1 64 64 ALA N N 64 128.762 128.762 129.038 -0.276 25376 574 1 3 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.553 -0.167 25376 575 1 3 . 1 1 64 64 ALA CA C 64 50.354 50.354 50.936 -0.582 25376 576 1 3 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.669 -1.334 25376 577 1 3 . 1 1 64 64 ALA H H 64 8.581 8.581 8.006 0.575 25376 578 1 3 . 1 1 65 65 LYS N N 65 122.223 122.223 124.918 -2.695 25376 579 1 3 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.033 0.048 25376 580 1 3 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.620 -1.565 25376 581 1 3 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.655 -0.349 25376 582 1 3 . 1 1 65 65 LYS H H 65 8.175 8.175 8.537 -0.362 25376 583 1 3 . 1 1 66 66 CYS N N 66 117.296 117.296 118.082 -0.786 25376 584 1 3 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.782 -0.090 25376 585 1 3 . 1 1 66 66 CYS CA C 66 53.727 53.727 56.425 -2.698 25376 586 1 3 . 1 1 66 66 CYS H H 66 8.790 8.790 8.310 0.480 25376 587 1 3 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.640 -0.243 25376 588 1 3 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.640 0.189 25376 589 1 3 . 1 1 67 67 PRO CB C 67 31.785 31.785 32.429 -0.644 25376 590 1 3 . 1 1 68 68 LYS N N 68 121.724 121.724 120.731 0.993 25376 591 1 3 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.701 -0.416 25376 592 1 3 . 1 1 68 68 LYS CA C 68 54.929 54.929 53.804 1.125 25376 593 1 3 . 1 1 68 68 LYS CB C 68 33.327 33.327 35.825 -2.498 25376 594 1 3 . 1 1 68 68 LYS H H 68 8.662 8.662 8.308 0.354 25376 595 1 3 . 1 1 69 69 LEU N N 69 125.851 125.851 123.612 2.239 25376 596 1 3 . 1 1 69 69 LEU HA H 69 4.474 4.474 5.069 -0.595 25376 597 1 3 . 1 1 69 69 LEU CA C 69 54.454 54.454 53.586 0.869 25376 598 1 3 . 1 1 69 69 LEU CB C 69 41.720 41.720 41.468 0.252 25376 599 1 3 . 1 1 69 69 LEU H H 69 8.320 8.320 8.576 -0.256 25376 600 1 3 . 1 1 70 70 LEU N N 70 128.488 128.488 125.367 3.121 25376 601 1 3 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.210 0.438 25376 602 1 3 . 1 1 70 70 LEU CA C 70 53.127 53.127 54.825 -1.698 25376 603 1 3 . 1 1 70 70 LEU CB C 70 42.832 42.832 41.674 1.158 25376 604 1 3 . 1 1 70 70 LEU H H 70 8.677 8.677 7.850 0.827 25376 605 1 3 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.369 -0.093 25376 606 1 3 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.538 0.252 25376 607 1 3 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.524 -0.064 25376 608 1 3 . 1 1 72 72 CYS N N 72 112.135 112.135 115.377 -3.242 25376 609 1 3 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.572 -0.298 25376 610 1 3 . 1 1 72 72 CYS CA C 72 57.194 57.194 58.349 -1.155 25376 611 1 3 . 1 1 72 72 CYS CB C 72 31.085 31.085 25.674 5.412 25376 612 1 3 . 1 1 72 72 CYS H H 72 7.204 7.204 7.815 -0.611 25376 613 1 3 . 1 1 73 73 LEU N N 73 114.341 114.341 116.113 -1.772 25376 614 1 3 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.960 -0.092 25376 615 1 3 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.404 1.096 25376 616 1 3 . 1 1 73 73 LEU CB C 73 37.671 37.671 38.889 -1.218 25376 617 1 3 . 1 1 73 73 LEU H H 73 8.043 8.043 7.407 0.636 25376 618 1 3 . 1 1 74 74 HIS N N 74 120.386 120.386 116.837 3.549 25376 619 1 3 . 1 1 74 74 HIS HA H 74 4.990 4.990 5.128 -0.138 25376 620 1 3 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.210 4.462 25376 621 1 3 . 1 1 74 74 HIS CB C 74 31.354 31.354 32.089 -0.735 25376 622 1 3 . 1 1 74 74 HIS H H 74 7.831 7.831 7.510 0.321 25376 623 1 3 . 1 1 75 75 THR N N 75 118.963 118.963 117.247 1.716 25376 624 1 3 . 1 1 75 75 THR HA H 75 4.730 4.730 4.743 -0.013 25376 625 1 3 . 1 1 75 75 THR CA C 75 62.185 62.185 62.144 0.041 25376 626 1 3 . 1 1 75 75 THR CB C 75 69.640 69.640 69.274 0.366 25376 627 1 3 . 1 1 75 75 THR H H 75 8.889 8.889 8.528 0.361 25376 628 1 3 . 1 1 76 76 LEU N N 76 128.330 128.330 127.199 1.131 25376 629 1 3 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.940 0.993 25376 630 1 3 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.092 -1.583 25376 631 1 3 . 1 1 76 76 LEU CB C 76 46.194 46.194 46.881 -0.687 25376 632 1 3 . 1 1 76 76 LEU H H 76 8.767 8.767 8.140 0.627 25376 633 1 3 . 1 1 77 77 CYS N N 77 119.360 119.360 116.056 3.304 25376 634 1 3 . 1 1 77 77 CYS HA H 77 4.732 4.732 4.926 -0.194 25376 635 1 3 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.702 0.168 25376 636 1 3 . 1 1 77 77 CYS CB C 77 31.698 31.698 29.567 2.131 25376 637 1 3 . 1 1 77 77 CYS H H 77 9.510 9.510 8.282 1.228 25376 638 1 3 . 1 1 78 78 SER N N 78 114.841 114.841 118.327 -3.486 25376 639 1 3 . 1 1 78 78 SER HA H 78 4.037 4.037 4.082 -0.045 25376 640 1 3 . 1 1 78 78 SER CA C 78 61.756 61.756 61.965 -0.209 25376 641 1 3 . 1 1 78 78 SER CB C 78 62.254 62.254 62.958 -0.704 25376 642 1 3 . 1 1 78 78 SER H H 78 8.593 8.593 8.657 -0.064 25376 643 1 3 . 1 1 79 79 GLY N N 79 111.904 111.904 108.640 3.264 25376 644 1 3 . 1 1 79 79 GLY CA C 79 46.777 46.777 46.968 -0.191 25376 645 1 3 . 1 1 79 79 GLY H H 79 8.391 8.391 8.724 -0.333 25376 646 1 3 . 1 1 80 80 CYS N N 80 126.807 126.807 119.525 7.282 25376 647 1 3 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.260 -0.306 25376 648 1 3 . 1 1 80 80 CYS CA C 80 65.189 65.189 62.167 3.022 25376 649 1 3 . 1 1 80 80 CYS CB C 80 28.846 28.846 26.068 2.778 25376 650 1 3 . 1 1 80 80 CYS H H 80 9.039 9.039 7.897 1.142 25376 651 1 3 . 1 1 81 81 LEU N N 81 120.440 120.440 121.584 -1.144 25376 652 1 3 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.037 0.095 25376 653 1 3 . 1 1 81 81 LEU CA C 81 57.443 57.443 57.819 -0.376 25376 654 1 3 . 1 1 81 81 LEU CB C 81 41.782 41.782 40.748 1.034 25376 655 1 3 . 1 1 81 81 LEU H H 81 8.109 8.109 7.995 0.114 25376 656 1 3 . 1 1 82 82 GLU N N 82 120.149 120.149 119.371 0.778 25376 657 1 3 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.131 -0.094 25376 658 1 3 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.191 0.127 25376 659 1 3 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.951 -1.024 25376 660 1 3 . 1 1 82 82 GLU H H 82 8.432 8.432 7.937 0.495 25376 661 1 3 . 1 1 83 83 ALA N N 83 120.334 120.334 123.150 -2.816 25376 662 1 3 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.237 0.062 25376 663 1 3 . 1 1 83 83 ALA CA C 83 53.543 53.543 54.582 -1.039 25376 664 1 3 . 1 1 83 83 ALA CB C 83 18.334 18.334 18.836 -0.502 25376 665 1 3 . 1 1 83 83 ALA H H 83 7.715 7.715 8.063 -0.348 25376 666 1 3 . 1 1 84 84 SER N N 84 112.368 112.368 114.073 -1.705 25376 667 1 3 . 1 1 84 84 SER HA H 84 4.494 4.494 4.456 0.038 25376 668 1 3 . 1 1 84 84 SER CA C 84 58.210 58.210 58.041 0.169 25376 669 1 3 . 1 1 84 84 SER CB C 84 63.837 63.837 63.363 0.474 25376 670 1 3 . 1 1 84 84 SER H H 84 7.570 7.570 7.854 -0.284 25376 671 1 3 . 1 1 85 85 GLY N N 85 110.612 110.612 109.599 1.013 25376 672 1 3 . 1 1 85 85 GLY CA C 85 46.841 46.841 46.066 0.775 25376 673 1 3 . 1 1 85 85 GLY H H 85 7.955 7.955 7.362 0.593 25376 674 1 3 . 1 1 86 86 MET N N 86 113.856 113.856 113.189 0.667 25376 675 1 3 . 1 1 86 86 MET HA H 86 3.804 3.804 3.959 -0.155 25376 676 1 3 . 1 1 86 86 MET CA C 86 55.160 55.160 56.197 -1.036 25376 677 1 3 . 1 1 86 86 MET CB C 86 28.494 28.494 29.967 -1.473 25376 678 1 3 . 1 1 86 86 MET H H 86 8.489 8.489 8.191 0.298 25376 679 1 3 . 1 1 87 87 GLN N N 87 116.394 116.394 117.481 -1.087 25376 680 1 3 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.190 0.259 25376 681 1 3 . 1 1 87 87 GLN CA C 87 53.404 53.404 57.499 -4.095 25376 682 1 3 . 1 1 87 87 GLN CB C 87 30.964 30.964 29.852 1.112 25376 683 1 3 . 1 1 87 87 GLN H H 87 7.188 7.188 7.682 -0.494 25376 684 1 3 . 1 1 88 88 CYS N N 88 124.484 124.484 119.398 5.086 25376 685 1 3 . 1 1 88 88 CYS HA H 88 4.300 4.300 5.024 -0.724 25376 686 1 3 . 1 1 88 88 CYS CA C 88 57.101 57.101 56.306 0.795 25376 687 1 3 . 1 1 88 88 CYS CB C 88 31.117 31.117 26.786 4.331 25376 688 1 3 . 1 1 88 88 CYS H H 88 8.616 8.616 8.590 0.026 25376 689 1 3 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.327 0.182 25376 690 1 3 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.854 -1.139 25376 691 1 3 . 1 1 89 89 PRO CB C 89 31.717 31.717 31.996 -0.279 25376 692 1 3 . 1 1 90 90 ILE N N 90 123.484 123.484 117.956 5.528 25376 693 1 3 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.712 0.071 25376 694 1 3 . 1 1 90 90 ILE CA C 90 62.878 62.878 60.720 2.158 25376 695 1 3 . 1 1 90 90 ILE CB C 90 37.483 37.483 35.572 1.911 25376 696 1 3 . 1 1 90 90 ILE H H 90 8.908 8.908 7.837 1.071 25376 697 1 3 . 1 1 91 91 CYS N N 91 120.890 120.890 118.950 1.940 25376 698 1 3 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.341 0.176 25376 699 1 3 . 1 1 91 91 CYS CA C 91 60.891 60.891 61.024 -0.133 25376 700 1 3 . 1 1 91 91 CYS CB C 91 31.244 31.244 26.080 5.164 25376 701 1 3 . 1 1 91 91 CYS H H 91 8.587 8.587 8.291 0.296 25376 702 1 3 . 1 1 92 92 GLN N N 92 116.563 116.563 118.716 -2.153 25376 703 1 3 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.345 -0.213 25376 704 1 3 . 1 1 92 92 GLN CA C 92 56.824 56.824 56.363 0.461 25376 705 1 3 . 1 1 92 92 GLN CB C 92 27.216 27.216 29.075 -1.859 25376 706 1 3 . 1 1 92 92 GLN H H 92 7.787 7.787 7.744 0.043 25376 707 1 3 . 1 1 93 93 ALA N N 93 125.273 125.273 124.013 1.260 25376 708 1 3 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.720 -0.159 25376 709 1 3 . 1 1 93 93 ALA CA C 93 50.862 50.862 49.142 1.720 25376 710 1 3 . 1 1 93 93 ALA CB C 93 18.415 18.415 19.104 -0.689 25376 711 1 3 . 1 1 93 93 ALA H H 93 8.031 8.031 7.409 0.622 25376 712 1 3 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.596 -0.058 25376 713 1 3 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.687 -0.174 25376 714 1 3 . 1 1 94 94 PRO CB C 94 31.684 31.684 30.388 1.296 25376 715 1 3 . 1 1 95 95 TRP N N 95 121.986 121.986 126.295 -4.309 25376 716 1 3 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.922 0.120 25376 717 1 3 . 1 1 95 95 TRP CA C 95 54.005 54.005 53.670 0.335 25376 718 1 3 . 1 1 95 95 TRP CB C 95 28.846 28.846 28.283 0.563 25376 719 1 3 . 1 1 95 95 TRP H H 95 8.012 8.012 8.406 -0.394 25376 720 1 3 . 1 1 96 96 PRO HA H 96 4.490 4.490 4.195 0.295 25376 721 1 3 . 1 1 96 96 PRO CA C 96 62.900 62.900 62.621 0.279 25376 722 1 3 . 1 1 96 96 PRO CB C 96 31.550 31.550 31.388 0.162 25376 723 1 3 . 1 1 97 97 LEU N N 97 122.075 122.075 123.373 -1.298 25376 724 1 3 . 1 1 97 97 LEU HA H 97 4.299 4.299 4.147 0.152 25376 725 1 3 . 1 1 97 97 LEU CA C 97 55.206 55.206 53.234 1.972 25376 726 1 3 . 1 1 97 97 LEU CB C 97 42.046 42.046 40.087 1.959 25376 727 1 3 . 1 1 97 97 LEU H H 97 8.224 8.224 8.137 0.087 25376 728 1 3 . 1 1 98 98 GLY N N 98 110.020 110.020 109.393 0.627 25376 729 1 3 . 1 1 98 98 GLY CA C 98 45.085 45.085 46.356 -1.271 25376 730 1 3 . 1 1 98 98 GLY H H 98 8.444 8.444 7.296 1.148 25376 731 1 3 . 1 1 99 99 ALA N N 99 123.511 123.511 124.575 -1.064 25376 732 1 3 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.409 -0.110 25376 733 1 3 . 1 1 99 99 ALA CA C 99 52.249 52.249 51.393 0.856 25376 734 1 3 . 1 1 99 99 ALA CB C 99 18.936 18.936 18.801 0.135 25376 735 1 3 . 1 1 99 99 ALA H H 99 8.176 8.176 8.032 0.144 25376 736 1 3 . 1 1 100 100 ASP N N 100 119.098 119.098 122.903 -3.805 25376 737 1 3 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.911 -0.350 25376 738 1 3 . 1 1 100 100 ASP CA C 100 53.912 53.912 53.465 0.447 25376 739 1 3 . 1 1 100 100 ASP CB C 100 40.580 40.580 40.860 -0.280 25376 740 1 3 . 1 1 100 100 ASP H H 100 8.383 8.383 8.516 -0.133 25376 741 1 3 . 1 1 101 101 THR N N 101 116.696 116.696 116.186 0.510 25376 742 1 3 . 1 1 101 101 THR HA H 101 4.517 4.517 4.657 -0.140 25376 743 1 3 . 1 1 101 101 THR CA C 101 59.551 59.551 58.886 0.665 25376 744 1 3 . 1 1 101 101 THR CB C 101 69.589 69.589 70.632 -1.043 25376 745 1 3 . 1 1 101 101 THR H H 101 8.017 8.017 7.956 0.061 25376 746 1 3 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.485 -0.149 25376 747 1 3 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.333 0.551 25376 748 1 3 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.484 -0.717 25376 749 1 3 . 1 1 103 103 ALA N N 103 125.184 125.184 121.552 3.632 25376 750 1 3 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.476 -0.191 25376 751 1 3 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.472 0.545 25376 752 1 3 . 1 1 103 103 ALA CB C 103 18.974 18.974 19.526 -0.551 25376 753 1 3 . 1 1 103 103 ALA H H 103 8.333 8.333 8.218 0.115 25376 754 1 4 . 1 1 50 50 GLU N N 50 120.583 120.583 122.186 -1.603 25376 755 1 4 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.754 -0.586 25376 756 1 4 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.516 0.308 25376 757 1 4 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.544 -0.826 25376 758 1 4 . 1 1 50 50 GLU H H 50 8.300 8.300 8.664 -0.364 25376 759 1 4 . 1 1 51 51 GLU N N 51 121.142 121.142 122.864 -1.722 25376 760 1 4 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.536 -0.412 25376 761 1 4 . 1 1 51 51 GLU CA C 51 56.362 56.362 55.751 0.611 25376 762 1 4 . 1 1 51 51 GLU CB C 51 29.727 29.727 31.314 -1.587 25376 763 1 4 . 1 1 51 51 GLU H H 51 8.140 8.140 8.534 -0.394 25376 764 1 4 . 1 1 52 52 PHE N N 52 120.500 120.500 122.056 -1.556 25376 765 1 4 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.671 -0.156 25376 766 1 4 . 1 1 52 52 PHE CA C 52 57.409 57.409 57.266 0.144 25376 767 1 4 . 1 1 52 52 PHE CB C 52 39.326 39.326 40.493 -1.167 25376 768 1 4 . 1 1 52 52 PHE H H 52 8.106 8.106 8.507 -0.401 25376 769 1 4 . 1 1 53 53 GLN N N 53 121.616 121.616 127.776 -6.160 25376 770 1 4 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.257 -0.045 25376 771 1 4 . 1 1 53 53 GLN CA C 53 55.345 55.345 56.774 -1.429 25376 772 1 4 . 1 1 53 53 GLN CB C 53 29.357 29.357 28.803 0.554 25376 773 1 4 . 1 1 53 53 GLN H H 53 8.047 8.047 8.355 -0.308 25376 774 1 4 . 1 1 54 54 PHE N N 54 120.217 120.217 121.643 -1.426 25376 775 1 4 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.911 -0.263 25376 776 1 4 . 1 1 54 54 PHE CA C 54 56.824 56.824 55.929 0.895 25376 777 1 4 . 1 1 54 54 PHE CB C 54 39.522 39.522 40.330 -0.808 25376 778 1 4 . 1 1 54 54 PHE H H 54 7.956 7.956 8.162 -0.206 25376 779 1 4 . 1 1 55 55 LEU N N 55 123.391 123.391 120.003 3.388 25376 780 1 4 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.472 -0.086 25376 781 1 4 . 1 1 55 55 LEU CA C 55 54.421 54.421 53.365 1.056 25376 782 1 4 . 1 1 55 55 LEU CB C 55 43.024 43.024 44.650 -1.626 25376 783 1 4 . 1 1 55 55 LEU H H 55 8.567 8.567 8.830 -0.263 25376 784 1 4 . 1 1 56 56 ARG N N 56 120.442 120.442 119.945 0.497 25376 785 1 4 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.753 -0.184 25376 786 1 4 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.730 -0.176 25376 787 1 4 . 1 1 56 56 ARG CB C 56 31.817 31.817 31.753 0.064 25376 788 1 4 . 1 1 56 56 ARG H H 56 8.101 8.101 8.155 -0.054 25376 789 1 4 . 1 1 57 57 CYS N N 57 123.891 123.891 127.469 -3.578 25376 790 1 4 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.189 -0.236 25376 791 1 4 . 1 1 57 57 CYS CA C 57 59.135 59.135 59.848 -0.713 25376 792 1 4 . 1 1 57 57 CYS CB C 57 31.290 31.290 28.369 2.921 25376 793 1 4 . 1 1 57 57 CYS H H 57 8.828 8.828 8.409 0.419 25376 794 1 4 . 1 1 58 58 GLN N N 58 128.172 128.172 127.064 1.108 25376 795 1 4 . 1 1 58 58 GLN HA H 58 4.121 4.121 3.983 0.138 25376 796 1 4 . 1 1 58 58 GLN CA C 58 58.528 58.528 57.294 1.234 25376 797 1 4 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.133 1.817 25376 798 1 4 . 1 1 58 58 GLN H H 58 9.222 9.222 8.324 0.898 25376 799 1 4 . 1 1 59 59 GLN N N 59 121.709 121.709 115.698 6.011 25376 800 1 4 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.333 0.256 25376 801 1 4 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.664 -0.055 25376 802 1 4 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.107 0.610 25376 803 1 4 . 1 1 59 59 GLN H H 59 9.200 9.200 7.482 1.718 25376 804 1 4 . 1 1 60 60 CYS N N 60 119.482 119.482 117.469 2.013 25376 805 1 4 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.690 0.104 25376 806 1 4 . 1 1 60 60 CYS CA C 60 59.458 59.458 59.451 0.007 25376 807 1 4 . 1 1 60 60 CYS CB C 60 32.179 32.179 27.850 4.329 25376 808 1 4 . 1 1 60 60 CYS H H 60 8.566 8.566 7.624 0.942 25376 809 1 4 . 1 1 61 61 GLN N N 61 115.153 115.153 115.008 0.145 25376 810 1 4 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.934 0.219 25376 811 1 4 . 1 1 61 61 GLN CA C 61 57.979 57.979 56.870 1.109 25376 812 1 4 . 1 1 61 61 GLN CB C 61 25.342 25.342 25.671 -0.329 25376 813 1 4 . 1 1 61 61 GLN H H 61 7.672 7.672 8.435 -0.763 25376 814 1 4 . 1 1 62 62 ALA N N 62 124.669 124.669 119.199 5.470 25376 815 1 4 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.633 -0.196 25376 816 1 4 . 1 1 62 62 ALA CA C 62 52.064 52.064 51.135 0.929 25376 817 1 4 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.602 -0.780 25376 818 1 4 . 1 1 62 62 ALA H H 62 8.728 8.728 7.626 1.102 25376 819 1 4 . 1 1 63 63 GLU N N 63 119.649 119.649 118.969 0.680 25376 820 1 4 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.303 -0.266 25376 821 1 4 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.284 0.048 25376 822 1 4 . 1 1 63 63 GLU CB C 63 29.262 29.262 30.283 -1.021 25376 823 1 4 . 1 1 63 63 GLU H H 63 8.523 8.523 8.534 -0.011 25376 824 1 4 . 1 1 64 64 ALA N N 64 128.762 128.762 128.900 -0.138 25376 825 1 4 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.663 -0.277 25376 826 1 4 . 1 1 64 64 ALA CA C 64 50.354 50.354 50.958 -0.604 25376 827 1 4 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.588 -1.254 25376 828 1 4 . 1 1 64 64 ALA H H 64 8.581 8.581 8.258 0.323 25376 829 1 4 . 1 1 65 65 LYS N N 65 122.223 122.223 125.022 -2.799 25376 830 1 4 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.135 -0.054 25376 831 1 4 . 1 1 65 65 LYS CA C 65 57.055 57.055 59.352 -2.296 25376 832 1 4 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.845 -0.539 25376 833 1 4 . 1 1 65 65 LYS H H 65 8.175 8.175 8.526 -0.351 25376 834 1 4 . 1 1 66 66 CYS N N 66 117.296 117.296 116.866 0.430 25376 835 1 4 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.775 -0.083 25376 836 1 4 . 1 1 66 66 CYS CA C 66 53.727 53.727 56.139 -2.412 25376 837 1 4 . 1 1 66 66 CYS H H 66 8.790 8.790 8.243 0.547 25376 838 1 4 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.638 -0.241 25376 839 1 4 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.667 0.162 25376 840 1 4 . 1 1 67 67 PRO CB C 67 31.785 31.785 32.419 -0.634 25376 841 1 4 . 1 1 68 68 LYS N N 68 121.724 121.724 119.189 2.535 25376 842 1 4 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.672 -0.387 25376 843 1 4 . 1 1 68 68 LYS CA C 68 54.929 54.929 53.571 1.358 25376 844 1 4 . 1 1 68 68 LYS CB C 68 33.327 33.327 35.121 -1.794 25376 845 1 4 . 1 1 68 68 LYS H H 68 8.662 8.662 8.246 0.416 25376 846 1 4 . 1 1 69 69 LEU N N 69 125.851 125.851 123.829 2.022 25376 847 1 4 . 1 1 69 69 LEU HA H 69 4.474 4.474 4.899 -0.425 25376 848 1 4 . 1 1 69 69 LEU CA C 69 54.454 54.454 53.546 0.908 25376 849 1 4 . 1 1 69 69 LEU CB C 69 41.720 41.720 41.327 0.393 25376 850 1 4 . 1 1 69 69 LEU H H 69 8.320 8.320 8.560 -0.240 25376 851 1 4 . 1 1 70 70 LEU N N 70 128.488 128.488 125.792 2.696 25376 852 1 4 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.214 0.434 25376 853 1 4 . 1 1 70 70 LEU CA C 70 53.127 53.127 54.839 -1.712 25376 854 1 4 . 1 1 70 70 LEU CB C 70 42.832 42.832 41.625 1.207 25376 855 1 4 . 1 1 70 70 LEU H H 70 8.677 8.677 7.885 0.792 25376 856 1 4 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.366 -0.090 25376 857 1 4 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.569 0.221 25376 858 1 4 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.549 -0.089 25376 859 1 4 . 1 1 72 72 CYS N N 72 112.135 112.135 115.501 -3.366 25376 860 1 4 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.573 -0.299 25376 861 1 4 . 1 1 72 72 CYS CA C 72 57.194 57.194 58.122 -0.928 25376 862 1 4 . 1 1 72 72 CYS CB C 72 31.085 31.085 25.791 5.294 25376 863 1 4 . 1 1 72 72 CYS H H 72 7.204 7.204 7.799 -0.595 25376 864 1 4 . 1 1 73 73 LEU N N 73 114.341 114.341 115.462 -1.121 25376 865 1 4 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.922 -0.054 25376 866 1 4 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.610 0.890 25376 867 1 4 . 1 1 73 73 LEU CB C 73 37.671 37.671 39.214 -1.543 25376 868 1 4 . 1 1 73 73 LEU H H 73 8.043 8.043 7.400 0.643 25376 869 1 4 . 1 1 74 74 HIS N N 74 120.386 120.386 115.115 5.271 25376 870 1 4 . 1 1 74 74 HIS HA H 74 4.990 4.990 5.034 -0.044 25376 871 1 4 . 1 1 74 74 HIS CA C 74 58.672 58.672 53.868 4.804 25376 872 1 4 . 1 1 74 74 HIS CB C 74 31.354 31.354 31.692 -0.338 25376 873 1 4 . 1 1 74 74 HIS H H 74 7.831 7.831 7.890 -0.059 25376 874 1 4 . 1 1 75 75 THR N N 75 118.963 118.963 117.021 1.942 25376 875 1 4 . 1 1 75 75 THR HA H 75 4.730 4.730 4.655 0.075 25376 876 1 4 . 1 1 75 75 THR CA C 75 62.185 62.185 62.142 0.043 25376 877 1 4 . 1 1 75 75 THR CB C 75 69.640 69.640 69.479 0.161 25376 878 1 4 . 1 1 75 75 THR H H 75 8.889 8.889 8.372 0.517 25376 879 1 4 . 1 1 76 76 LEU N N 76 128.330 128.330 127.261 1.069 25376 880 1 4 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.902 1.031 25376 881 1 4 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.051 -1.542 25376 882 1 4 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.026 -0.832 25376 883 1 4 . 1 1 76 76 LEU H H 76 8.767 8.767 8.094 0.673 25376 884 1 4 . 1 1 77 77 CYS N N 77 119.360 119.360 116.610 2.750 25376 885 1 4 . 1 1 77 77 CYS HA H 77 4.732 4.732 4.946 -0.214 25376 886 1 4 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.638 0.232 25376 887 1 4 . 1 1 77 77 CYS CB C 77 31.698 31.698 29.596 2.102 25376 888 1 4 . 1 1 77 77 CYS H H 77 9.510 9.510 8.346 1.164 25376 889 1 4 . 1 1 78 78 SER N N 78 114.841 114.841 119.077 -4.236 25376 890 1 4 . 1 1 78 78 SER HA H 78 4.037 4.037 4.072 -0.035 25376 891 1 4 . 1 1 78 78 SER CA C 78 61.756 61.756 61.950 -0.194 25376 892 1 4 . 1 1 78 78 SER CB C 78 62.254 62.254 63.056 -0.802 25376 893 1 4 . 1 1 78 78 SER H H 78 8.593 8.593 8.756 -0.163 25376 894 1 4 . 1 1 79 79 GLY N N 79 111.904 111.904 108.563 3.341 25376 895 1 4 . 1 1 79 79 GLY CA C 79 46.777 46.777 47.052 -0.275 25376 896 1 4 . 1 1 79 79 GLY H H 79 8.391 8.391 8.516 -0.125 25376 897 1 4 . 1 1 80 80 CYS N N 80 126.807 126.807 120.259 6.548 25376 898 1 4 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.502 -0.548 25376 899 1 4 . 1 1 80 80 CYS CA C 80 65.189 65.189 61.457 3.732 25376 900 1 4 . 1 1 80 80 CYS CB C 80 28.846 28.846 26.047 2.799 25376 901 1 4 . 1 1 80 80 CYS H H 80 9.039 9.039 7.873 1.166 25376 902 1 4 . 1 1 81 81 LEU N N 81 120.440 120.440 121.503 -1.063 25376 903 1 4 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.038 0.094 25376 904 1 4 . 1 1 81 81 LEU CA C 81 57.443 57.443 57.803 -0.360 25376 905 1 4 . 1 1 81 81 LEU CB C 81 41.782 41.782 40.769 1.013 25376 906 1 4 . 1 1 81 81 LEU H H 81 8.109 8.109 8.011 0.098 25376 907 1 4 . 1 1 82 82 GLU N N 82 120.149 120.149 119.381 0.768 25376 908 1 4 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.131 -0.094 25376 909 1 4 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.220 0.099 25376 910 1 4 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.914 -0.987 25376 911 1 4 . 1 1 82 82 GLU H H 82 8.432 8.432 7.964 0.468 25376 912 1 4 . 1 1 83 83 ALA N N 83 120.334 120.334 123.205 -2.871 25376 913 1 4 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.205 0.094 25376 914 1 4 . 1 1 83 83 ALA CA C 83 53.543 53.543 54.737 -1.194 25376 915 1 4 . 1 1 83 83 ALA CB C 83 18.334 18.334 18.765 -0.430 25376 916 1 4 . 1 1 83 83 ALA H H 83 7.715 7.715 8.105 -0.390 25376 917 1 4 . 1 1 84 84 SER N N 84 112.368 112.368 113.919 -1.551 25376 918 1 4 . 1 1 84 84 SER HA H 84 4.494 4.494 4.482 0.012 25376 919 1 4 . 1 1 84 84 SER CA C 84 58.210 58.210 57.727 0.483 25376 920 1 4 . 1 1 84 84 SER CB C 84 63.837 63.837 63.506 0.331 25376 921 1 4 . 1 1 84 84 SER H H 84 7.570 7.570 7.899 -0.329 25376 922 1 4 . 1 1 85 85 GLY N N 85 110.612 110.612 110.033 0.579 25376 923 1 4 . 1 1 85 85 GLY CA C 85 46.841 46.841 46.068 0.773 25376 924 1 4 . 1 1 85 85 GLY H H 85 7.955 7.955 7.507 0.448 25376 925 1 4 . 1 1 86 86 MET N N 86 113.856 113.856 113.273 0.583 25376 926 1 4 . 1 1 86 86 MET HA H 86 3.804 3.804 3.971 -0.167 25376 927 1 4 . 1 1 86 86 MET CA C 86 55.160 55.160 56.180 -1.020 25376 928 1 4 . 1 1 86 86 MET CB C 86 28.494 28.494 29.942 -1.448 25376 929 1 4 . 1 1 86 86 MET H H 86 8.489 8.489 8.167 0.322 25376 930 1 4 . 1 1 87 87 GLN N N 87 116.394 116.394 118.477 -2.083 25376 931 1 4 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.225 0.224 25376 932 1 4 . 1 1 87 87 GLN CA C 87 53.404 53.404 57.317 -3.913 25376 933 1 4 . 1 1 87 87 GLN CB C 87 30.964 30.964 30.007 0.957 25376 934 1 4 . 1 1 87 87 GLN H H 87 7.188 7.188 7.749 -0.561 25376 935 1 4 . 1 1 88 88 CYS N N 88 124.484 124.484 120.670 3.814 25376 936 1 4 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.984 -0.684 25376 937 1 4 . 1 1 88 88 CYS CA C 88 57.101 57.101 56.604 0.497 25376 938 1 4 . 1 1 88 88 CYS CB C 88 31.117 31.117 26.489 4.628 25376 939 1 4 . 1 1 88 88 CYS H H 88 8.616 8.616 8.603 0.013 25376 940 1 4 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.337 0.172 25376 941 1 4 . 1 1 89 89 PRO CA C 89 63.715 63.715 65.110 -1.395 25376 942 1 4 . 1 1 89 89 PRO CB C 89 31.717 31.717 31.987 -0.270 25376 943 1 4 . 1 1 90 90 ILE N N 90 123.484 123.484 116.758 6.726 25376 944 1 4 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.781 0.002 25376 945 1 4 . 1 1 90 90 ILE CA C 90 62.878 62.878 60.643 2.235 25376 946 1 4 . 1 1 90 90 ILE CB C 90 37.483 37.483 35.679 1.804 25376 947 1 4 . 1 1 90 90 ILE H H 90 8.908 8.908 7.961 0.947 25376 948 1 4 . 1 1 91 91 CYS N N 91 120.890 120.890 117.268 3.622 25376 949 1 4 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.294 0.223 25376 950 1 4 . 1 1 91 91 CYS CA C 91 60.891 60.891 60.101 0.790 25376 951 1 4 . 1 1 91 91 CYS CB C 91 31.244 31.244 25.878 5.366 25376 952 1 4 . 1 1 91 91 CYS H H 91 8.587 8.587 7.607 0.980 25376 953 1 4 . 1 1 92 92 GLN N N 92 116.563 116.563 118.856 -2.293 25376 954 1 4 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.083 0.049 25376 955 1 4 . 1 1 92 92 GLN CA C 92 56.824 56.824 57.667 -0.843 25376 956 1 4 . 1 1 92 92 GLN CB C 92 27.216 27.216 28.979 -1.763 25376 957 1 4 . 1 1 92 92 GLN H H 92 7.787 7.787 7.711 0.076 25376 958 1 4 . 1 1 93 93 ALA N N 93 125.273 125.273 121.016 4.257 25376 959 1 4 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.757 -0.196 25376 960 1 4 . 1 1 93 93 ALA CA C 93 50.862 50.862 49.659 1.203 25376 961 1 4 . 1 1 93 93 ALA CB C 93 18.415 18.415 20.625 -2.210 25376 962 1 4 . 1 1 93 93 ALA H H 93 8.031 8.031 7.413 0.618 25376 963 1 4 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.576 -0.038 25376 964 1 4 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.562 -0.049 25376 965 1 4 . 1 1 94 94 PRO CB C 94 31.684 31.684 30.004 1.680 25376 966 1 4 . 1 1 95 95 TRP N N 95 121.986 121.986 125.793 -3.807 25376 967 1 4 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.790 0.252 25376 968 1 4 . 1 1 95 95 TRP CA C 95 54.005 54.005 54.262 -0.257 25376 969 1 4 . 1 1 95 95 TRP CB C 95 28.846 28.846 28.227 0.619 25376 970 1 4 . 1 1 95 95 TRP H H 95 8.012 8.012 8.243 -0.231 25376 971 1 4 . 1 1 96 96 PRO HA H 96 4.490 4.490 4.172 0.318 25376 972 1 4 . 1 1 96 96 PRO CA C 96 62.900 62.900 62.587 0.314 25376 973 1 4 . 1 1 96 96 PRO CB C 96 31.550 31.550 31.181 0.369 25376 974 1 4 . 1 1 97 97 LEU N N 97 122.075 122.075 123.173 -1.098 25376 975 1 4 . 1 1 97 97 LEU HA H 97 4.299 4.299 3.886 0.413 25376 976 1 4 . 1 1 97 97 LEU CA C 97 55.206 55.206 53.223 1.983 25376 977 1 4 . 1 1 97 97 LEU CB C 97 42.046 42.046 42.790 -0.744 25376 978 1 4 . 1 1 97 97 LEU H H 97 8.224 8.224 7.604 0.620 25376 979 1 4 . 1 1 98 98 GLY N N 98 110.020 110.020 105.298 4.722 25376 980 1 4 . 1 1 98 98 GLY CA C 98 45.085 45.085 44.934 0.151 25376 981 1 4 . 1 1 98 98 GLY H H 98 8.444 8.444 8.750 -0.306 25376 982 1 4 . 1 1 99 99 ALA N N 99 123.511 123.511 122.495 1.016 25376 983 1 4 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.499 -0.200 25376 984 1 4 . 1 1 99 99 ALA CA C 99 52.249 52.249 50.948 1.301 25376 985 1 4 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.643 -0.707 25376 986 1 4 . 1 1 99 99 ALA H H 99 8.176 8.176 8.026 0.150 25376 987 1 4 . 1 1 100 100 ASP N N 100 119.098 119.098 121.470 -2.372 25376 988 1 4 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.505 0.056 25376 989 1 4 . 1 1 100 100 ASP CA C 100 53.912 53.912 55.136 -1.224 25376 990 1 4 . 1 1 100 100 ASP CB C 100 40.580 40.580 40.393 0.187 25376 991 1 4 . 1 1 100 100 ASP H H 100 8.383 8.383 8.388 -0.005 25376 992 1 4 . 1 1 101 101 THR N N 101 116.696 116.696 118.118 -1.422 25376 993 1 4 . 1 1 101 101 THR HA H 101 4.517 4.517 4.571 -0.054 25376 994 1 4 . 1 1 101 101 THR CA C 101 59.551 59.551 59.154 0.397 25376 995 1 4 . 1 1 101 101 THR CB C 101 69.589 69.589 69.873 -0.284 25376 996 1 4 . 1 1 101 101 THR H H 101 8.017 8.017 7.836 0.181 25376 997 1 4 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.548 -0.212 25376 998 1 4 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.394 0.490 25376 999 1 4 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.397 -0.630 25376 1000 1 4 . 1 1 103 103 ALA N N 103 125.184 125.184 124.764 0.420 25376 1001 1 4 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.326 -0.041 25376 1002 1 4 . 1 1 103 103 ALA CA C 103 52.017 52.017 52.071 -0.054 25376 1003 1 4 . 1 1 103 103 ALA CB C 103 18.974 18.974 19.687 -0.713 25376 1004 1 4 . 1 1 103 103 ALA H H 103 8.333 8.333 8.306 0.027 25376 1005 1 5 . 1 1 50 50 GLU N N 50 120.583 120.583 120.709 -0.126 25376 1006 1 5 . 1 1 50 50 GLU HA H 50 4.168 4.168 5.063 -0.895 25376 1007 1 5 . 1 1 50 50 GLU CA C 50 56.824 56.824 55.750 1.074 25376 1008 1 5 . 1 1 50 50 GLU CB C 50 29.718 29.718 32.275 -2.557 25376 1009 1 5 . 1 1 50 50 GLU H H 50 8.300 8.300 8.669 -0.369 25376 1010 1 5 . 1 1 51 51 GLU N N 51 121.142 121.142 119.389 1.753 25376 1011 1 5 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.510 -0.386 25376 1012 1 5 . 1 1 51 51 GLU CA C 51 56.362 56.362 55.797 0.564 25376 1013 1 5 . 1 1 51 51 GLU CB C 51 29.727 29.727 30.649 -0.922 25376 1014 1 5 . 1 1 51 51 GLU H H 51 8.140 8.140 8.785 -0.645 25376 1015 1 5 . 1 1 52 52 PHE N N 52 120.500 120.500 119.475 1.025 25376 1016 1 5 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.918 -0.403 25376 1017 1 5 . 1 1 52 52 PHE CA C 52 57.409 57.409 55.801 1.608 25376 1018 1 5 . 1 1 52 52 PHE CB C 52 39.326 39.326 40.116 -0.790 25376 1019 1 5 . 1 1 52 52 PHE H H 52 8.106 8.106 7.448 0.658 25376 1020 1 5 . 1 1 53 53 GLN N N 53 121.616 121.616 120.615 1.001 25376 1021 1 5 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.614 -0.402 25376 1022 1 5 . 1 1 53 53 GLN CA C 53 55.345 55.345 55.340 0.005 25376 1023 1 5 . 1 1 53 53 GLN CB C 53 29.357 29.357 26.790 2.567 25376 1024 1 5 . 1 1 53 53 GLN H H 53 8.047 8.047 8.964 -0.917 25376 1025 1 5 . 1 1 54 54 PHE N N 54 120.217 120.217 119.442 0.775 25376 1026 1 5 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.808 -0.160 25376 1027 1 5 . 1 1 54 54 PHE CA C 54 56.824 56.824 58.326 -1.502 25376 1028 1 5 . 1 1 54 54 PHE CB C 54 39.522 39.522 42.516 -2.994 25376 1029 1 5 . 1 1 54 54 PHE H H 54 7.956 7.956 7.876 0.080 25376 1030 1 5 . 1 1 55 55 LEU N N 55 123.391 123.391 120.369 3.022 25376 1031 1 5 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.908 -0.522 25376 1032 1 5 . 1 1 55 55 LEU CA C 55 54.421 54.421 54.193 0.228 25376 1033 1 5 . 1 1 55 55 LEU CB C 55 43.024 43.024 43.961 -0.937 25376 1034 1 5 . 1 1 55 55 LEU H H 55 8.567 8.567 8.858 -0.291 25376 1035 1 5 . 1 1 56 56 ARG N N 56 120.442 120.442 120.405 0.037 25376 1036 1 5 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.835 -0.266 25376 1037 1 5 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.966 -0.413 25376 1038 1 5 . 1 1 56 56 ARG CB C 56 31.817 31.817 31.846 -0.029 25376 1039 1 5 . 1 1 56 56 ARG H H 56 8.101 8.101 8.407 -0.306 25376 1040 1 5 . 1 1 57 57 CYS N N 57 123.891 123.891 127.651 -3.760 25376 1041 1 5 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.230 -0.277 25376 1042 1 5 . 1 1 57 57 CYS CA C 57 59.135 59.135 59.787 -0.652 25376 1043 1 5 . 1 1 57 57 CYS CB C 57 31.290 31.290 28.167 3.123 25376 1044 1 5 . 1 1 57 57 CYS H H 57 8.828 8.828 8.492 0.336 25376 1045 1 5 . 1 1 58 58 GLN N N 58 128.172 128.172 127.301 0.871 25376 1046 1 5 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.076 0.045 25376 1047 1 5 . 1 1 58 58 GLN CA C 58 58.528 58.528 57.316 1.212 25376 1048 1 5 . 1 1 58 58 GLN CB C 58 29.950 29.950 27.774 2.176 25376 1049 1 5 . 1 1 58 58 GLN H H 58 9.222 9.222 8.362 0.860 25376 1050 1 5 . 1 1 59 59 GLN N N 59 121.709 121.709 115.026 6.683 25376 1051 1 5 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.304 0.285 25376 1052 1 5 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.545 0.064 25376 1053 1 5 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.063 0.654 25376 1054 1 5 . 1 1 59 59 GLN H H 59 9.200 9.200 7.527 1.673 25376 1055 1 5 . 1 1 60 60 CYS N N 60 119.482 119.482 117.462 2.020 25376 1056 1 5 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.689 0.105 25376 1057 1 5 . 1 1 60 60 CYS CA C 60 59.458 59.458 59.458 0.000 25376 1058 1 5 . 1 1 60 60 CYS CB C 60 32.179 32.179 27.945 4.234 25376 1059 1 5 . 1 1 60 60 CYS H H 60 8.566 8.566 7.639 0.927 25376 1060 1 5 . 1 1 61 61 GLN N N 61 115.153 115.153 115.186 -0.033 25376 1061 1 5 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.955 0.198 25376 1062 1 5 . 1 1 61 61 GLN CA C 61 57.979 57.979 56.905 1.074 25376 1063 1 5 . 1 1 61 61 GLN CB C 61 25.342 25.342 25.647 -0.305 25376 1064 1 5 . 1 1 61 61 GLN H H 61 7.672 7.672 8.504 -0.832 25376 1065 1 5 . 1 1 62 62 ALA N N 62 124.669 124.669 119.212 5.457 25376 1066 1 5 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.643 -0.206 25376 1067 1 5 . 1 1 62 62 ALA CA C 62 52.064 52.064 51.287 0.777 25376 1068 1 5 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.395 -0.573 25376 1069 1 5 . 1 1 62 62 ALA H H 62 8.728 8.728 7.594 1.134 25376 1070 1 5 . 1 1 63 63 GLU N N 63 119.649 119.649 118.948 0.701 25376 1071 1 5 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.239 -0.202 25376 1072 1 5 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.290 0.042 25376 1073 1 5 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.775 -0.513 25376 1074 1 5 . 1 1 63 63 GLU H H 63 8.523 8.523 8.457 0.066 25376 1075 1 5 . 1 1 64 64 ALA N N 64 128.762 128.762 129.122 -0.360 25376 1076 1 5 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.664 -0.278 25376 1077 1 5 . 1 1 64 64 ALA CA C 64 50.354 50.354 51.077 -0.723 25376 1078 1 5 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.798 -1.463 25376 1079 1 5 . 1 1 64 64 ALA H H 64 8.581 8.581 8.415 0.166 25376 1080 1 5 . 1 1 65 65 LYS N N 65 122.223 122.223 124.699 -2.476 25376 1081 1 5 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.316 -0.235 25376 1082 1 5 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.766 -1.711 25376 1083 1 5 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.846 -0.540 25376 1084 1 5 . 1 1 65 65 LYS H H 65 8.175 8.175 8.718 -0.543 25376 1085 1 5 . 1 1 66 66 CYS N N 66 117.296 117.296 117.580 -0.284 25376 1086 1 5 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.802 -0.110 25376 1087 1 5 . 1 1 66 66 CYS CA C 66 53.727 53.727 56.404 -2.677 25376 1088 1 5 . 1 1 66 66 CYS H H 66 8.790 8.790 8.359 0.431 25376 1089 1 5 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.698 -0.301 25376 1090 1 5 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.742 0.086 25376 1091 1 5 . 1 1 67 67 PRO CB C 67 31.785 31.785 32.260 -0.475 25376 1092 1 5 . 1 1 68 68 LYS N N 68 121.724 121.724 120.933 0.791 25376 1093 1 5 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.739 -0.454 25376 1094 1 5 . 1 1 68 68 LYS CA C 68 54.929 54.929 53.453 1.476 25376 1095 1 5 . 1 1 68 68 LYS CB C 68 33.327 33.327 35.181 -1.854 25376 1096 1 5 . 1 1 68 68 LYS H H 68 8.662 8.662 8.154 0.508 25376 1097 1 5 . 1 1 69 69 LEU N N 69 125.851 125.851 124.149 1.702 25376 1098 1 5 . 1 1 69 69 LEU HA H 69 4.474 4.474 5.028 -0.554 25376 1099 1 5 . 1 1 69 69 LEU CA C 69 54.454 54.454 53.353 1.101 25376 1100 1 5 . 1 1 69 69 LEU CB C 69 41.720 41.720 40.954 0.766 25376 1101 1 5 . 1 1 69 69 LEU H H 69 8.320 8.320 8.608 -0.288 25376 1102 1 5 . 1 1 70 70 LEU N N 70 128.488 128.488 126.241 2.247 25376 1103 1 5 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.226 0.422 25376 1104 1 5 . 1 1 70 70 LEU CA C 70 53.127 53.127 54.882 -1.755 25376 1105 1 5 . 1 1 70 70 LEU CB C 70 42.832 42.832 41.541 1.291 25376 1106 1 5 . 1 1 70 70 LEU H H 70 8.677 8.677 7.883 0.794 25376 1107 1 5 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.370 -0.094 25376 1108 1 5 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.573 0.217 25376 1109 1 5 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.519 -0.059 25376 1110 1 5 . 1 1 72 72 CYS N N 72 112.135 112.135 115.378 -3.243 25376 1111 1 5 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.579 -0.305 25376 1112 1 5 . 1 1 72 72 CYS CA C 72 57.194 57.194 58.131 -0.937 25376 1113 1 5 . 1 1 72 72 CYS CB C 72 31.085 31.085 25.967 5.118 25376 1114 1 5 . 1 1 72 72 CYS H H 72 7.204 7.204 7.786 -0.582 25376 1115 1 5 . 1 1 73 73 LEU N N 73 114.341 114.341 116.709 -2.368 25376 1116 1 5 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.970 -0.102 25376 1117 1 5 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.340 1.160 25376 1118 1 5 . 1 1 73 73 LEU CB C 73 37.671 37.671 38.822 -1.151 25376 1119 1 5 . 1 1 73 73 LEU H H 73 8.043 8.043 7.368 0.675 25376 1120 1 5 . 1 1 74 74 HIS N N 74 120.386 120.386 117.911 2.475 25376 1121 1 5 . 1 1 74 74 HIS HA H 74 4.990 4.990 5.180 -0.190 25376 1122 1 5 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.073 4.599 25376 1123 1 5 . 1 1 74 74 HIS CB C 74 31.354 31.354 31.773 -0.418 25376 1124 1 5 . 1 1 74 74 HIS H H 74 7.831 7.831 7.540 0.290 25376 1125 1 5 . 1 1 75 75 THR N N 75 118.963 118.963 117.429 1.534 25376 1126 1 5 . 1 1 75 75 THR HA H 75 4.730 4.730 4.620 0.110 25376 1127 1 5 . 1 1 75 75 THR CA C 75 62.185 62.185 62.345 -0.160 25376 1128 1 5 . 1 1 75 75 THR CB C 75 69.640 69.640 69.871 -0.231 25376 1129 1 5 . 1 1 75 75 THR H H 75 8.889 8.889 8.337 0.552 25376 1130 1 5 . 1 1 76 76 LEU N N 76 128.330 128.330 127.627 0.703 25376 1131 1 5 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.872 1.061 25376 1132 1 5 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.074 -1.565 25376 1133 1 5 . 1 1 76 76 LEU CB C 76 46.194 46.194 46.960 -0.766 25376 1134 1 5 . 1 1 76 76 LEU H H 76 8.767 8.767 8.117 0.650 25376 1135 1 5 . 1 1 77 77 CYS N N 77 119.360 119.360 117.311 2.049 25376 1136 1 5 . 1 1 77 77 CYS HA H 77 4.732 4.732 4.983 -0.251 25376 1137 1 5 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.416 0.454 25376 1138 1 5 . 1 1 77 77 CYS CB C 77 31.698 31.698 29.491 2.207 25376 1139 1 5 . 1 1 77 77 CYS H H 77 9.510 9.510 8.444 1.066 25376 1140 1 5 . 1 1 78 78 SER N N 78 114.841 114.841 117.732 -2.891 25376 1141 1 5 . 1 1 78 78 SER HA H 78 4.037 4.037 4.140 -0.103 25376 1142 1 5 . 1 1 78 78 SER CA C 78 61.756 61.756 62.152 -0.396 25376 1143 1 5 . 1 1 78 78 SER CB C 78 62.254 62.254 62.908 -0.654 25376 1144 1 5 . 1 1 78 78 SER H H 78 8.593 8.593 8.677 -0.084 25376 1145 1 5 . 1 1 79 79 GLY N N 79 111.904 111.904 109.258 2.646 25376 1146 1 5 . 1 1 79 79 GLY CA C 79 46.777 46.777 47.022 -0.245 25376 1147 1 5 . 1 1 79 79 GLY H H 79 8.391 8.391 8.811 -0.420 25376 1148 1 5 . 1 1 80 80 CYS N N 80 126.807 126.807 119.627 7.180 25376 1149 1 5 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.250 -0.296 25376 1150 1 5 . 1 1 80 80 CYS CA C 80 65.189 65.189 62.353 2.836 25376 1151 1 5 . 1 1 80 80 CYS CB C 80 28.846 28.846 26.142 2.704 25376 1152 1 5 . 1 1 80 80 CYS H H 80 9.039 9.039 7.833 1.206 25376 1153 1 5 . 1 1 81 81 LEU N N 81 120.440 120.440 121.322 -0.882 25376 1154 1 5 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.078 0.054 25376 1155 1 5 . 1 1 81 81 LEU CA C 81 57.443 57.443 58.011 -0.568 25376 1156 1 5 . 1 1 81 81 LEU CB C 81 41.782 41.782 41.089 0.693 25376 1157 1 5 . 1 1 81 81 LEU H H 81 8.109 8.109 8.035 0.074 25376 1158 1 5 . 1 1 82 82 GLU N N 82 120.149 120.149 119.329 0.820 25376 1159 1 5 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.124 -0.087 25376 1160 1 5 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.244 0.075 25376 1161 1 5 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.876 -0.949 25376 1162 1 5 . 1 1 82 82 GLU H H 82 8.432 8.432 7.911 0.521 25376 1163 1 5 . 1 1 83 83 ALA N N 83 120.334 120.334 123.699 -3.365 25376 1164 1 5 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.193 0.106 25376 1165 1 5 . 1 1 83 83 ALA CA C 83 53.543 53.543 54.834 -1.290 25376 1166 1 5 . 1 1 83 83 ALA CB C 83 18.334 18.334 18.722 -0.388 25376 1167 1 5 . 1 1 83 83 ALA H H 83 7.715 7.715 8.083 -0.368 25376 1168 1 5 . 1 1 84 84 SER N N 84 112.368 112.368 114.382 -2.014 25376 1169 1 5 . 1 1 84 84 SER HA H 84 4.494 4.494 4.413 0.081 25376 1170 1 5 . 1 1 84 84 SER CA C 84 58.210 58.210 57.837 0.373 25376 1171 1 5 . 1 1 84 84 SER CB C 84 63.837 63.837 63.396 0.441 25376 1172 1 5 . 1 1 84 84 SER H H 84 7.570 7.570 7.846 -0.276 25376 1173 1 5 . 1 1 85 85 GLY N N 85 110.612 110.612 111.099 -0.487 25376 1174 1 5 . 1 1 85 85 GLY CA C 85 46.841 46.841 46.234 0.607 25376 1175 1 5 . 1 1 85 85 GLY H H 85 7.955 7.955 7.480 0.475 25376 1176 1 5 . 1 1 86 86 MET N N 86 113.856 113.856 113.173 0.683 25376 1177 1 5 . 1 1 86 86 MET HA H 86 3.804 3.804 3.963 -0.159 25376 1178 1 5 . 1 1 86 86 MET CA C 86 55.160 55.160 56.300 -1.140 25376 1179 1 5 . 1 1 86 86 MET CB C 86 28.494 28.494 29.412 -0.918 25376 1180 1 5 . 1 1 86 86 MET H H 86 8.489 8.489 8.168 0.321 25376 1181 1 5 . 1 1 87 87 GLN N N 87 116.394 116.394 118.753 -2.359 25376 1182 1 5 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.226 0.223 25376 1183 1 5 . 1 1 87 87 GLN CA C 87 53.404 53.404 57.312 -3.908 25376 1184 1 5 . 1 1 87 87 GLN CB C 87 30.964 30.964 30.054 0.910 25376 1185 1 5 . 1 1 87 87 GLN H H 87 7.188 7.188 8.044 -0.856 25376 1186 1 5 . 1 1 88 88 CYS N N 88 124.484 124.484 119.578 4.906 25376 1187 1 5 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.864 -0.564 25376 1188 1 5 . 1 1 88 88 CYS CA C 88 57.101 57.101 57.028 0.073 25376 1189 1 5 . 1 1 88 88 CYS CB C 88 31.117 31.117 26.311 4.806 25376 1190 1 5 . 1 1 88 88 CYS H H 88 8.616 8.616 8.671 -0.055 25376 1191 1 5 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.325 0.184 25376 1192 1 5 . 1 1 89 89 PRO CA C 89 63.715 63.715 65.107 -1.392 25376 1193 1 5 . 1 1 89 89 PRO CB C 89 31.717 31.717 31.985 -0.268 25376 1194 1 5 . 1 1 90 90 ILE N N 90 123.484 123.484 116.813 6.671 25376 1195 1 5 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.703 0.080 25376 1196 1 5 . 1 1 90 90 ILE CA C 90 62.878 62.878 60.642 2.236 25376 1197 1 5 . 1 1 90 90 ILE CB C 90 37.483 37.483 35.573 1.910 25376 1198 1 5 . 1 1 90 90 ILE H H 90 8.908 8.908 7.933 0.975 25376 1199 1 5 . 1 1 91 91 CYS N N 91 120.890 120.890 117.223 3.667 25376 1200 1 5 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.252 0.265 25376 1201 1 5 . 1 1 91 91 CYS CA C 91 60.891 60.891 60.283 0.608 25376 1202 1 5 . 1 1 91 91 CYS CB C 91 31.244 31.244 25.911 5.333 25376 1203 1 5 . 1 1 91 91 CYS H H 91 8.587 8.587 7.596 0.991 25376 1204 1 5 . 1 1 92 92 GLN N N 92 116.563 116.563 118.833 -2.270 25376 1205 1 5 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.085 0.047 25376 1206 1 5 . 1 1 92 92 GLN CA C 92 56.824 56.824 57.665 -0.841 25376 1207 1 5 . 1 1 92 92 GLN CB C 92 27.216 27.216 29.009 -1.793 25376 1208 1 5 . 1 1 92 92 GLN H H 92 7.787 7.787 7.696 0.091 25376 1209 1 5 . 1 1 93 93 ALA N N 93 125.273 125.273 120.735 4.538 25376 1210 1 5 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.763 -0.202 25376 1211 1 5 . 1 1 93 93 ALA CA C 93 50.862 50.862 49.727 1.135 25376 1212 1 5 . 1 1 93 93 ALA CB C 93 18.415 18.415 20.562 -2.147 25376 1213 1 5 . 1 1 93 93 ALA H H 93 8.031 8.031 7.404 0.627 25376 1214 1 5 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.576 -0.038 25376 1215 1 5 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.539 -0.026 25376 1216 1 5 . 1 1 94 94 PRO CB C 94 31.684 31.684 30.111 1.573 25376 1217 1 5 . 1 1 95 95 TRP N N 95 121.986 121.986 124.701 -2.715 25376 1218 1 5 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.683 0.359 25376 1219 1 5 . 1 1 95 95 TRP CA C 95 54.005 54.005 54.201 -0.196 25376 1220 1 5 . 1 1 95 95 TRP CB C 95 28.846 28.846 28.014 0.832 25376 1221 1 5 . 1 1 95 95 TRP H H 95 8.012 8.012 8.398 -0.386 25376 1222 1 5 . 1 1 96 96 PRO HA H 96 4.490 4.490 4.147 0.343 25376 1223 1 5 . 1 1 96 96 PRO CA C 96 62.900 62.900 62.653 0.247 25376 1224 1 5 . 1 1 96 96 PRO CB C 96 31.550 31.550 31.498 0.052 25376 1225 1 5 . 1 1 97 97 LEU N N 97 122.075 122.075 121.682 0.393 25376 1226 1 5 . 1 1 97 97 LEU HA H 97 4.299 4.299 4.081 0.218 25376 1227 1 5 . 1 1 97 97 LEU CA C 97 55.206 55.206 53.451 1.755 25376 1228 1 5 . 1 1 97 97 LEU CB C 97 42.046 42.046 42.540 -0.494 25376 1229 1 5 . 1 1 97 97 LEU H H 97 8.224 8.224 7.741 0.483 25376 1230 1 5 . 1 1 98 98 GLY N N 98 110.020 110.020 105.990 4.030 25376 1231 1 5 . 1 1 98 98 GLY CA C 98 45.085 45.085 45.783 -0.698 25376 1232 1 5 . 1 1 98 98 GLY H H 98 8.444 8.444 8.540 -0.096 25376 1233 1 5 . 1 1 99 99 ALA N N 99 123.511 123.511 122.855 0.656 25376 1234 1 5 . 1 1 99 99 ALA HA H 99 4.299 4.299 3.920 0.379 25376 1235 1 5 . 1 1 99 99 ALA CA C 99 52.249 52.249 52.930 -0.681 25376 1236 1 5 . 1 1 99 99 ALA CB C 99 18.936 18.936 18.023 0.913 25376 1237 1 5 . 1 1 99 99 ALA H H 99 8.176 8.176 8.218 -0.042 25376 1238 1 5 . 1 1 100 100 ASP N N 100 119.098 119.098 119.317 -0.219 25376 1239 1 5 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.520 0.041 25376 1240 1 5 . 1 1 100 100 ASP CA C 100 53.912 53.912 54.756 -0.844 25376 1241 1 5 . 1 1 100 100 ASP CB C 100 40.580 40.580 40.446 0.134 25376 1242 1 5 . 1 1 100 100 ASP H H 100 8.383 8.383 8.249 0.134 25376 1243 1 5 . 1 1 101 101 THR N N 101 116.696 116.696 117.196 -0.500 25376 1244 1 5 . 1 1 101 101 THR HA H 101 4.517 4.517 4.378 0.139 25376 1245 1 5 . 1 1 101 101 THR CA C 101 59.551 59.551 60.424 -0.873 25376 1246 1 5 . 1 1 101 101 THR CB C 101 69.589 69.589 68.817 0.772 25376 1247 1 5 . 1 1 101 101 THR H H 101 8.017 8.017 8.034 -0.017 25376 1248 1 5 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.346 -0.010 25376 1249 1 5 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.456 0.427 25376 1250 1 5 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.343 -0.576 25376 1251 1 5 . 1 1 103 103 ALA N N 103 125.184 125.184 122.407 2.777 25376 1252 1 5 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.316 -0.031 25376 1253 1 5 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.421 0.596 25376 1254 1 5 . 1 1 103 103 ALA CB C 103 18.974 18.974 19.939 -0.965 25376 1255 1 5 . 1 1 103 103 ALA H H 103 8.333 8.333 8.123 0.210 25376 1256 1 6 . 1 1 50 50 GLU N N 50 120.583 120.583 121.731 -1.148 25376 1257 1 6 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.560 -0.392 25376 1258 1 6 . 1 1 50 50 GLU CA C 50 56.824 56.824 55.913 0.911 25376 1259 1 6 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.580 -0.862 25376 1260 1 6 . 1 1 50 50 GLU H H 50 8.300 8.300 8.593 -0.293 25376 1261 1 6 . 1 1 51 51 GLU N N 51 121.142 121.142 120.560 0.582 25376 1262 1 6 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.519 -0.395 25376 1263 1 6 . 1 1 51 51 GLU CA C 51 56.362 56.362 56.052 0.310 25376 1264 1 6 . 1 1 51 51 GLU CB C 51 29.727 29.727 30.791 -1.063 25376 1265 1 6 . 1 1 51 51 GLU H H 51 8.140 8.140 8.730 -0.591 25376 1266 1 6 . 1 1 52 52 PHE N N 52 120.500 120.500 121.380 -0.880 25376 1267 1 6 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.775 -0.260 25376 1268 1 6 . 1 1 52 52 PHE CA C 52 57.409 57.409 57.504 -0.095 25376 1269 1 6 . 1 1 52 52 PHE CB C 52 39.326 39.326 40.257 -0.931 25376 1270 1 6 . 1 1 52 52 PHE H H 52 8.106 8.106 8.470 -0.364 25376 1271 1 6 . 1 1 53 53 GLN N N 53 121.616 121.616 126.861 -5.245 25376 1272 1 6 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.507 -0.295 25376 1273 1 6 . 1 1 53 53 GLN CA C 53 55.345 55.345 55.005 0.340 25376 1274 1 6 . 1 1 53 53 GLN CB C 53 29.357 29.357 27.025 2.332 25376 1275 1 6 . 1 1 53 53 GLN H H 53 8.047 8.047 8.655 -0.608 25376 1276 1 6 . 1 1 54 54 PHE N N 54 120.217 120.217 120.747 -0.530 25376 1277 1 6 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.578 0.070 25376 1278 1 6 . 1 1 54 54 PHE CA C 54 56.824 56.824 57.638 -0.814 25376 1279 1 6 . 1 1 54 54 PHE CB C 54 39.522 39.522 42.208 -2.686 25376 1280 1 6 . 1 1 54 54 PHE H H 54 7.956 7.956 7.695 0.261 25376 1281 1 6 . 1 1 55 55 LEU N N 55 123.391 123.391 121.957 1.434 25376 1282 1 6 . 1 1 55 55 LEU HA H 55 4.386 4.386 5.103 -0.717 25376 1283 1 6 . 1 1 55 55 LEU CA C 55 54.421 54.421 53.110 1.311 25376 1284 1 6 . 1 1 55 55 LEU CB C 55 43.024 43.024 45.914 -2.890 25376 1285 1 6 . 1 1 55 55 LEU H H 55 8.567 8.567 8.788 -0.221 25376 1286 1 6 . 1 1 56 56 ARG N N 56 120.442 120.442 121.620 -1.178 25376 1287 1 6 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.903 -0.334 25376 1288 1 6 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.522 0.031 25376 1289 1 6 . 1 1 56 56 ARG CB C 56 31.817 31.817 30.961 0.856 25376 1290 1 6 . 1 1 56 56 ARG H H 56 8.101 8.101 8.489 -0.388 25376 1291 1 6 . 1 1 57 57 CYS N N 57 123.891 123.891 127.741 -3.850 25376 1292 1 6 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.272 -0.319 25376 1293 1 6 . 1 1 57 57 CYS CA C 57 59.135 59.135 60.142 -1.007 25376 1294 1 6 . 1 1 57 57 CYS CB C 57 31.290 31.290 28.453 2.837 25376 1295 1 6 . 1 1 57 57 CYS H H 57 8.828 8.828 8.707 0.121 25376 1296 1 6 . 1 1 58 58 GLN N N 58 128.172 128.172 127.381 0.791 25376 1297 1 6 . 1 1 58 58 GLN HA H 58 4.121 4.121 3.945 0.176 25376 1298 1 6 . 1 1 58 58 GLN CA C 58 58.528 58.528 57.419 1.109 25376 1299 1 6 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.003 1.947 25376 1300 1 6 . 1 1 58 58 GLN H H 58 9.222 9.222 8.428 0.794 25376 1301 1 6 . 1 1 59 59 GLN N N 59 121.709 121.709 115.285 6.424 25376 1302 1 6 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.304 0.285 25376 1303 1 6 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.606 0.003 25376 1304 1 6 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.162 0.555 25376 1305 1 6 . 1 1 59 59 GLN H H 59 9.200 9.200 7.533 1.667 25376 1306 1 6 . 1 1 60 60 CYS N N 60 119.482 119.482 117.491 1.991 25376 1307 1 6 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.699 0.095 25376 1308 1 6 . 1 1 60 60 CYS CA C 60 59.458 59.458 59.475 -0.017 25376 1309 1 6 . 1 1 60 60 CYS CB C 60 32.179 32.179 27.836 4.343 25376 1310 1 6 . 1 1 60 60 CYS H H 60 8.566 8.566 7.659 0.907 25376 1311 1 6 . 1 1 61 61 GLN N N 61 115.153 115.153 114.676 0.477 25376 1312 1 6 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.960 0.193 25376 1313 1 6 . 1 1 61 61 GLN CA C 61 57.979 57.979 56.869 1.110 25376 1314 1 6 . 1 1 61 61 GLN CB C 61 25.342 25.342 25.698 -0.356 25376 1315 1 6 . 1 1 61 61 GLN H H 61 7.672 7.672 8.470 -0.798 25376 1316 1 6 . 1 1 62 62 ALA N N 62 124.669 124.669 119.306 5.363 25376 1317 1 6 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.660 -0.223 25376 1318 1 6 . 1 1 62 62 ALA CA C 62 52.064 52.064 51.088 0.976 25376 1319 1 6 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.534 -0.712 25376 1320 1 6 . 1 1 62 62 ALA H H 62 8.728 8.728 7.619 1.109 25376 1321 1 6 . 1 1 63 63 GLU N N 63 119.649 119.649 118.931 0.718 25376 1322 1 6 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.262 -0.225 25376 1323 1 6 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.697 -0.365 25376 1324 1 6 . 1 1 63 63 GLU CB C 63 29.262 29.262 30.144 -0.882 25376 1325 1 6 . 1 1 63 63 GLU H H 63 8.523 8.523 8.563 -0.040 25376 1326 1 6 . 1 1 64 64 ALA N N 64 128.762 128.762 129.422 -0.660 25376 1327 1 6 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.687 -0.301 25376 1328 1 6 . 1 1 64 64 ALA CA C 64 50.354 50.354 50.750 -0.396 25376 1329 1 6 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.665 -1.330 25376 1330 1 6 . 1 1 64 64 ALA H H 64 8.581 8.581 8.650 -0.069 25376 1331 1 6 . 1 1 65 65 LYS N N 65 122.223 122.223 124.739 -2.516 25376 1332 1 6 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.168 -0.087 25376 1333 1 6 . 1 1 65 65 LYS CA C 65 57.055 57.055 59.380 -2.325 25376 1334 1 6 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.896 -0.590 25376 1335 1 6 . 1 1 65 65 LYS H H 65 8.175 8.175 8.678 -0.503 25376 1336 1 6 . 1 1 66 66 CYS N N 66 117.296 117.296 117.927 -0.631 25376 1337 1 6 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.809 -0.117 25376 1338 1 6 . 1 1 66 66 CYS CA C 66 53.727 53.727 55.947 -2.220 25376 1339 1 6 . 1 1 66 66 CYS H H 66 8.790 8.790 8.000 0.790 25376 1340 1 6 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.501 -0.104 25376 1341 1 6 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.897 -0.068 25376 1342 1 6 . 1 1 67 67 PRO CB C 67 31.785 31.785 32.653 -0.868 25376 1343 1 6 . 1 1 68 68 LYS N N 68 121.724 121.724 118.019 3.705 25376 1344 1 6 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.656 -0.371 25376 1345 1 6 . 1 1 68 68 LYS CA C 68 54.929 54.929 54.400 0.529 25376 1346 1 6 . 1 1 68 68 LYS CB C 68 33.327 33.327 36.063 -2.736 25376 1347 1 6 . 1 1 68 68 LYS H H 68 8.662 8.662 8.366 0.296 25376 1348 1 6 . 1 1 69 69 LEU N N 69 125.851 125.851 124.599 1.252 25376 1349 1 6 . 1 1 69 69 LEU HA H 69 4.474 4.474 4.941 -0.467 25376 1350 1 6 . 1 1 69 69 LEU CA C 69 54.454 54.454 53.503 0.951 25376 1351 1 6 . 1 1 69 69 LEU CB C 69 41.720 41.720 42.096 -0.376 25376 1352 1 6 . 1 1 69 69 LEU H H 69 8.320 8.320 8.539 -0.219 25376 1353 1 6 . 1 1 70 70 LEU N N 70 128.488 128.488 126.491 1.997 25376 1354 1 6 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.231 0.416 25376 1355 1 6 . 1 1 70 70 LEU CA C 70 53.127 53.127 54.703 -1.576 25376 1356 1 6 . 1 1 70 70 LEU CB C 70 42.832 42.832 41.529 1.304 25376 1357 1 6 . 1 1 70 70 LEU H H 70 8.677 8.677 7.960 0.717 25376 1358 1 6 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.362 -0.086 25376 1359 1 6 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.599 0.191 25376 1360 1 6 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.533 -0.073 25376 1361 1 6 . 1 1 72 72 CYS N N 72 112.135 112.135 115.798 -3.663 25376 1362 1 6 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.650 -0.376 25376 1363 1 6 . 1 1 72 72 CYS CA C 72 57.194 57.194 57.779 -0.585 25376 1364 1 6 . 1 1 72 72 CYS CB C 72 31.085 31.085 25.728 5.357 25376 1365 1 6 . 1 1 72 72 CYS H H 72 7.204 7.204 7.787 -0.583 25376 1366 1 6 . 1 1 73 73 LEU N N 73 114.341 114.341 115.456 -1.115 25376 1367 1 6 . 1 1 73 73 LEU HA H 73 3.868 3.868 4.051 -0.183 25376 1368 1 6 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.345 1.155 25376 1369 1 6 . 1 1 73 73 LEU CB C 73 37.671 37.671 39.667 -1.996 25376 1370 1 6 . 1 1 73 73 LEU H H 73 8.043 8.043 7.376 0.667 25376 1371 1 6 . 1 1 74 74 HIS N N 74 120.386 120.386 114.715 5.671 25376 1372 1 6 . 1 1 74 74 HIS HA H 74 4.990 4.990 5.047 -0.057 25376 1373 1 6 . 1 1 74 74 HIS CA C 74 58.672 58.672 53.819 4.853 25376 1374 1 6 . 1 1 74 74 HIS CB C 74 31.354 31.354 31.511 -0.157 25376 1375 1 6 . 1 1 74 74 HIS H H 74 7.831 7.831 7.691 0.140 25376 1376 1 6 . 1 1 75 75 THR N N 75 118.963 118.963 116.775 2.188 25376 1377 1 6 . 1 1 75 75 THR HA H 75 4.730 4.730 4.838 -0.108 25376 1378 1 6 . 1 1 75 75 THR CA C 75 62.185 62.185 62.335 -0.150 25376 1379 1 6 . 1 1 75 75 THR CB C 75 69.640 69.640 69.695 -0.055 25376 1380 1 6 . 1 1 75 75 THR H H 75 8.889 8.889 8.486 0.403 25376 1381 1 6 . 1 1 76 76 LEU N N 76 128.330 128.330 126.688 1.642 25376 1382 1 6 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.990 0.943 25376 1383 1 6 . 1 1 76 76 LEU CA C 76 51.509 51.509 52.976 -1.467 25376 1384 1 6 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.041 -0.847 25376 1385 1 6 . 1 1 76 76 LEU H H 76 8.767 8.767 8.113 0.654 25376 1386 1 6 . 1 1 77 77 CYS N N 77 119.360 119.360 116.911 2.449 25376 1387 1 6 . 1 1 77 77 CYS HA H 77 4.732 4.732 4.951 -0.219 25376 1388 1 6 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.256 0.614 25376 1389 1 6 . 1 1 77 77 CYS CB C 77 31.698 31.698 29.168 2.530 25376 1390 1 6 . 1 1 77 77 CYS H H 77 9.510 9.510 8.343 1.167 25376 1391 1 6 . 1 1 78 78 SER N N 78 114.841 114.841 117.443 -2.602 25376 1392 1 6 . 1 1 78 78 SER HA H 78 4.037 4.037 4.151 -0.114 25376 1393 1 6 . 1 1 78 78 SER CA C 78 61.756 61.756 61.256 0.500 25376 1394 1 6 . 1 1 78 78 SER CB C 78 62.254 62.254 63.316 -1.062 25376 1395 1 6 . 1 1 78 78 SER H H 78 8.593 8.593 8.407 0.186 25376 1396 1 6 . 1 1 79 79 GLY N N 79 111.904 111.904 108.505 3.399 25376 1397 1 6 . 1 1 79 79 GLY CA C 79 46.777 46.777 46.738 0.039 25376 1398 1 6 . 1 1 79 79 GLY H H 79 8.391 8.391 8.510 -0.119 25376 1399 1 6 . 1 1 80 80 CYS N N 80 126.807 126.807 119.252 7.555 25376 1400 1 6 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.262 -0.308 25376 1401 1 6 . 1 1 80 80 CYS CA C 80 65.189 65.189 62.184 3.006 25376 1402 1 6 . 1 1 80 80 CYS CB C 80 28.846 28.846 26.103 2.743 25376 1403 1 6 . 1 1 80 80 CYS H H 80 9.039 9.039 7.659 1.380 25376 1404 1 6 . 1 1 81 81 LEU N N 81 120.440 120.440 121.470 -1.030 25376 1405 1 6 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.022 0.110 25376 1406 1 6 . 1 1 81 81 LEU CA C 81 57.443 57.443 57.887 -0.444 25376 1407 1 6 . 1 1 81 81 LEU CB C 81 41.782 41.782 40.846 0.936 25376 1408 1 6 . 1 1 81 81 LEU H H 81 8.109 8.109 8.010 0.099 25376 1409 1 6 . 1 1 82 82 GLU N N 82 120.149 120.149 119.367 0.782 25376 1410 1 6 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.117 -0.080 25376 1411 1 6 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.224 0.095 25376 1412 1 6 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.915 -0.988 25376 1413 1 6 . 1 1 82 82 GLU H H 82 8.432 8.432 7.928 0.504 25376 1414 1 6 . 1 1 83 83 ALA N N 83 120.334 120.334 123.306 -2.972 25376 1415 1 6 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.189 0.110 25376 1416 1 6 . 1 1 83 83 ALA CA C 83 53.543 53.543 54.722 -1.179 25376 1417 1 6 . 1 1 83 83 ALA CB C 83 18.334 18.334 18.631 -0.297 25376 1418 1 6 . 1 1 83 83 ALA H H 83 7.715 7.715 8.098 -0.383 25376 1419 1 6 . 1 1 84 84 SER N N 84 112.368 112.368 113.333 -0.965 25376 1420 1 6 . 1 1 84 84 SER HA H 84 4.494 4.494 4.504 -0.010 25376 1421 1 6 . 1 1 84 84 SER CA C 84 58.210 58.210 57.733 0.477 25376 1422 1 6 . 1 1 84 84 SER CB C 84 63.837 63.837 63.264 0.573 25376 1423 1 6 . 1 1 84 84 SER H H 84 7.570 7.570 7.845 -0.275 25376 1424 1 6 . 1 1 85 85 GLY N N 85 110.612 110.612 110.049 0.563 25376 1425 1 6 . 1 1 85 85 GLY CA C 85 46.841 46.841 46.098 0.743 25376 1426 1 6 . 1 1 85 85 GLY H H 85 7.955 7.955 7.500 0.455 25376 1427 1 6 . 1 1 86 86 MET N N 86 113.856 113.856 113.016 0.840 25376 1428 1 6 . 1 1 86 86 MET HA H 86 3.804 3.804 3.982 -0.178 25376 1429 1 6 . 1 1 86 86 MET CA C 86 55.160 55.160 56.297 -1.137 25376 1430 1 6 . 1 1 86 86 MET CB C 86 28.494 28.494 29.677 -1.183 25376 1431 1 6 . 1 1 86 86 MET H H 86 8.489 8.489 8.099 0.390 25376 1432 1 6 . 1 1 87 87 GLN N N 87 116.394 116.394 117.720 -1.326 25376 1433 1 6 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.176 0.273 25376 1434 1 6 . 1 1 87 87 GLN CA C 87 53.404 53.404 57.540 -4.136 25376 1435 1 6 . 1 1 87 87 GLN CB C 87 30.964 30.964 29.791 1.173 25376 1436 1 6 . 1 1 87 87 GLN H H 87 7.188 7.188 7.741 -0.553 25376 1437 1 6 . 1 1 88 88 CYS N N 88 124.484 124.484 119.464 5.020 25376 1438 1 6 . 1 1 88 88 CYS HA H 88 4.300 4.300 5.027 -0.727 25376 1439 1 6 . 1 1 88 88 CYS CA C 88 57.101 57.101 56.730 0.372 25376 1440 1 6 . 1 1 88 88 CYS CB C 88 31.117 31.117 26.921 4.196 25376 1441 1 6 . 1 1 88 88 CYS H H 88 8.616 8.616 8.725 -0.109 25376 1442 1 6 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.336 0.173 25376 1443 1 6 . 1 1 89 89 PRO CA C 89 63.715 63.715 65.105 -1.390 25376 1444 1 6 . 1 1 89 89 PRO CB C 89 31.717 31.717 32.337 -0.620 25376 1445 1 6 . 1 1 90 90 ILE N N 90 123.484 123.484 116.499 6.985 25376 1446 1 6 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.745 0.038 25376 1447 1 6 . 1 1 90 90 ILE CA C 90 62.878 62.878 60.633 2.245 25376 1448 1 6 . 1 1 90 90 ILE CB C 90 37.483 37.483 35.527 1.956 25376 1449 1 6 . 1 1 90 90 ILE H H 90 8.908 8.908 7.935 0.973 25376 1450 1 6 . 1 1 91 91 CYS N N 91 120.890 120.890 117.116 3.774 25376 1451 1 6 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.320 0.197 25376 1452 1 6 . 1 1 91 91 CYS CA C 91 60.891 60.891 59.986 0.905 25376 1453 1 6 . 1 1 91 91 CYS CB C 91 31.244 31.244 25.761 5.483 25376 1454 1 6 . 1 1 91 91 CYS H H 91 8.587 8.587 7.565 1.022 25376 1455 1 6 . 1 1 92 92 GLN N N 92 116.563 116.563 119.209 -2.646 25376 1456 1 6 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.052 0.080 25376 1457 1 6 . 1 1 92 92 GLN CA C 92 56.824 56.824 57.773 -0.949 25376 1458 1 6 . 1 1 92 92 GLN CB C 92 27.216 27.216 29.079 -1.863 25376 1459 1 6 . 1 1 92 92 GLN H H 92 7.787 7.787 7.735 0.052 25376 1460 1 6 . 1 1 93 93 ALA N N 93 125.273 125.273 120.250 5.023 25376 1461 1 6 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.767 -0.206 25376 1462 1 6 . 1 1 93 93 ALA CA C 93 50.862 50.862 49.584 1.278 25376 1463 1 6 . 1 1 93 93 ALA CB C 93 18.415 18.415 20.548 -2.133 25376 1464 1 6 . 1 1 93 93 ALA H H 93 8.031 8.031 7.409 0.622 25376 1465 1 6 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.584 -0.046 25376 1466 1 6 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.541 -0.028 25376 1467 1 6 . 1 1 94 94 PRO CB C 94 31.684 31.684 29.818 1.866 25376 1468 1 6 . 1 1 95 95 TRP N N 95 121.986 121.986 125.106 -3.120 25376 1469 1 6 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.692 0.350 25376 1470 1 6 . 1 1 95 95 TRP CA C 95 54.005 54.005 54.841 -0.836 25376 1471 1 6 . 1 1 95 95 TRP CB C 95 28.846 28.846 27.927 0.919 25376 1472 1 6 . 1 1 95 95 TRP H H 95 8.012 8.012 8.318 -0.306 25376 1473 1 6 . 1 1 96 96 PRO HA H 96 4.490 4.490 4.177 0.313 25376 1474 1 6 . 1 1 96 96 PRO CA C 96 62.900 62.900 62.625 0.275 25376 1475 1 6 . 1 1 96 96 PRO CB C 96 31.550 31.550 31.943 -0.393 25376 1476 1 6 . 1 1 97 97 LEU N N 97 122.075 122.075 118.533 3.542 25376 1477 1 6 . 1 1 97 97 LEU HA H 97 4.299 4.299 4.140 0.159 25376 1478 1 6 . 1 1 97 97 LEU CA C 97 55.206 55.206 53.607 1.599 25376 1479 1 6 . 1 1 97 97 LEU CB C 97 42.046 42.046 43.104 -1.058 25376 1480 1 6 . 1 1 97 97 LEU H H 97 8.224 8.224 7.546 0.678 25376 1481 1 6 . 1 1 98 98 GLY N N 98 110.020 110.020 105.311 4.709 25376 1482 1 6 . 1 1 98 98 GLY CA C 98 45.085 45.085 44.651 0.434 25376 1483 1 6 . 1 1 98 98 GLY H H 98 8.444 8.444 8.831 -0.387 25376 1484 1 6 . 1 1 99 99 ALA N N 99 123.511 123.511 123.016 0.495 25376 1485 1 6 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.477 -0.178 25376 1486 1 6 . 1 1 99 99 ALA CA C 99 52.249 52.249 51.534 0.715 25376 1487 1 6 . 1 1 99 99 ALA CB C 99 18.936 18.936 20.158 -1.222 25376 1488 1 6 . 1 1 99 99 ALA H H 99 8.176 8.176 7.742 0.434 25376 1489 1 6 . 1 1 100 100 ASP N N 100 119.098 119.098 123.842 -4.744 25376 1490 1 6 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.936 -0.375 25376 1491 1 6 . 1 1 100 100 ASP CA C 100 53.912 53.912 53.776 0.136 25376 1492 1 6 . 1 1 100 100 ASP CB C 100 40.580 40.580 41.569 -0.989 25376 1493 1 6 . 1 1 100 100 ASP H H 100 8.383 8.383 8.432 -0.049 25376 1494 1 6 . 1 1 101 101 THR N N 101 116.696 116.696 115.618 1.078 25376 1495 1 6 . 1 1 101 101 THR HA H 101 4.517 4.517 4.709 -0.192 25376 1496 1 6 . 1 1 101 101 THR CA C 101 59.551 59.551 59.827 -0.276 25376 1497 1 6 . 1 1 101 101 THR CB C 101 69.589 69.589 69.117 0.472 25376 1498 1 6 . 1 1 101 101 THR H H 101 8.017 8.017 8.352 -0.335 25376 1499 1 6 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.532 -0.196 25376 1500 1 6 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.412 0.472 25376 1501 1 6 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.717 -0.950 25376 1502 1 6 . 1 1 103 103 ALA N N 103 125.184 125.184 123.997 1.187 25376 1503 1 6 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.377 -0.092 25376 1504 1 6 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.374 0.643 25376 1505 1 6 . 1 1 103 103 ALA CB C 103 18.974 18.974 19.804 -0.830 25376 1506 1 6 . 1 1 103 103 ALA H H 103 8.333 8.333 8.209 0.124 25376 1507 1 7 . 1 1 50 50 GLU N N 50 120.583 120.583 122.792 -2.209 25376 1508 1 7 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.605 -0.437 25376 1509 1 7 . 1 1 50 50 GLU CA C 50 56.824 56.824 55.712 1.112 25376 1510 1 7 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.848 -1.130 25376 1511 1 7 . 1 1 50 50 GLU H H 50 8.300 8.300 8.483 -0.183 25376 1512 1 7 . 1 1 51 51 GLU N N 51 121.142 121.142 121.306 -0.164 25376 1513 1 7 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.624 -0.500 25376 1514 1 7 . 1 1 51 51 GLU CA C 51 56.362 56.362 55.565 0.797 25376 1515 1 7 . 1 1 51 51 GLU CB C 51 29.727 29.727 30.963 -1.236 25376 1516 1 7 . 1 1 51 51 GLU H H 51 8.140 8.140 8.584 -0.444 25376 1517 1 7 . 1 1 52 52 PHE N N 52 120.500 120.500 123.490 -2.990 25376 1518 1 7 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.397 0.118 25376 1519 1 7 . 1 1 52 52 PHE CA C 52 57.409 57.409 58.848 -1.439 25376 1520 1 7 . 1 1 52 52 PHE CB C 52 39.326 39.326 40.072 -0.746 25376 1521 1 7 . 1 1 52 52 PHE H H 52 8.106 8.106 8.895 -0.789 25376 1522 1 7 . 1 1 53 53 GLN N N 53 121.616 121.616 127.005 -5.389 25376 1523 1 7 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.715 -0.503 25376 1524 1 7 . 1 1 53 53 GLN CA C 53 55.345 55.345 55.108 0.237 25376 1525 1 7 . 1 1 53 53 GLN CB C 53 29.357 29.357 27.725 1.632 25376 1526 1 7 . 1 1 53 53 GLN H H 53 8.047 8.047 8.743 -0.696 25376 1527 1 7 . 1 1 54 54 PHE N N 54 120.217 120.217 119.040 1.177 25376 1528 1 7 . 1 1 54 54 PHE HA H 54 4.648 4.648 5.051 -0.403 25376 1529 1 7 . 1 1 54 54 PHE CA C 54 56.824 56.824 56.191 0.633 25376 1530 1 7 . 1 1 54 54 PHE CB C 54 39.522 39.522 40.220 -0.698 25376 1531 1 7 . 1 1 54 54 PHE H H 54 7.956 7.956 8.095 -0.139 25376 1532 1 7 . 1 1 55 55 LEU N N 55 123.391 123.391 123.201 0.190 25376 1533 1 7 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.493 -0.107 25376 1534 1 7 . 1 1 55 55 LEU CA C 55 54.421 54.421 53.766 0.655 25376 1535 1 7 . 1 1 55 55 LEU CB C 55 43.024 43.024 42.769 0.255 25376 1536 1 7 . 1 1 55 55 LEU H H 55 8.567 8.567 8.671 -0.104 25376 1537 1 7 . 1 1 56 56 ARG N N 56 120.442 120.442 119.113 1.329 25376 1538 1 7 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.580 -0.011 25376 1539 1 7 . 1 1 56 56 ARG CA C 56 54.553 54.553 55.046 -0.493 25376 1540 1 7 . 1 1 56 56 ARG CB C 56 31.817 31.817 31.401 0.416 25376 1541 1 7 . 1 1 56 56 ARG H H 56 8.101 8.101 8.057 0.044 25376 1542 1 7 . 1 1 57 57 CYS N N 57 123.891 123.891 127.370 -3.479 25376 1543 1 7 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.323 -0.370 25376 1544 1 7 . 1 1 57 57 CYS CA C 57 59.135 59.135 59.807 -0.673 25376 1545 1 7 . 1 1 57 57 CYS CB C 57 31.290 31.290 28.295 2.995 25376 1546 1 7 . 1 1 57 57 CYS H H 57 8.828 8.828 8.479 0.349 25376 1547 1 7 . 1 1 58 58 GLN N N 58 128.172 128.172 127.159 1.013 25376 1548 1 7 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.086 0.035 25376 1549 1 7 . 1 1 58 58 GLN CA C 58 58.528 58.528 57.528 1.000 25376 1550 1 7 . 1 1 58 58 GLN CB C 58 29.950 29.950 27.906 2.044 25376 1551 1 7 . 1 1 58 58 GLN H H 58 9.222 9.222 8.387 0.835 25376 1552 1 7 . 1 1 59 59 GLN N N 59 121.709 121.709 115.559 6.150 25376 1553 1 7 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.324 0.265 25376 1554 1 7 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.599 0.011 25376 1555 1 7 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.091 0.626 25376 1556 1 7 . 1 1 59 59 GLN H H 59 9.200 9.200 7.479 1.721 25376 1557 1 7 . 1 1 60 60 CYS N N 60 119.482 119.482 117.443 2.039 25376 1558 1 7 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.689 0.105 25376 1559 1 7 . 1 1 60 60 CYS CA C 60 59.458 59.458 59.497 -0.039 25376 1560 1 7 . 1 1 60 60 CYS CB C 60 32.179 32.179 27.893 4.285 25376 1561 1 7 . 1 1 60 60 CYS H H 60 8.566 8.566 7.651 0.915 25376 1562 1 7 . 1 1 61 61 GLN N N 61 115.153 115.153 114.859 0.294 25376 1563 1 7 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.925 0.228 25376 1564 1 7 . 1 1 61 61 GLN CA C 61 57.979 57.979 56.590 1.389 25376 1565 1 7 . 1 1 61 61 GLN CB C 61 25.342 25.342 25.545 -0.203 25376 1566 1 7 . 1 1 61 61 GLN H H 61 7.672 7.672 8.492 -0.820 25376 1567 1 7 . 1 1 62 62 ALA N N 62 124.669 124.669 119.903 4.766 25376 1568 1 7 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.597 -0.160 25376 1569 1 7 . 1 1 62 62 ALA CA C 62 52.064 52.064 51.075 0.988 25376 1570 1 7 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.401 -0.579 25376 1571 1 7 . 1 1 62 62 ALA H H 62 8.728 8.728 7.550 1.178 25376 1572 1 7 . 1 1 63 63 GLU N N 63 119.649 119.649 118.894 0.755 25376 1573 1 7 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.314 -0.277 25376 1574 1 7 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.593 -0.261 25376 1575 1 7 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.987 -0.725 25376 1576 1 7 . 1 1 63 63 GLU H H 63 8.523 8.523 8.531 -0.008 25376 1577 1 7 . 1 1 64 64 ALA N N 64 128.762 128.762 128.676 0.086 25376 1578 1 7 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.671 -0.285 25376 1579 1 7 . 1 1 64 64 ALA CA C 64 50.354 50.354 50.916 -0.562 25376 1580 1 7 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.689 -1.355 25376 1581 1 7 . 1 1 64 64 ALA H H 64 8.581 8.581 8.496 0.085 25376 1582 1 7 . 1 1 65 65 LYS N N 65 122.223 122.223 124.455 -2.232 25376 1583 1 7 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.188 -0.107 25376 1584 1 7 . 1 1 65 65 LYS CA C 65 57.055 57.055 59.114 -2.059 25376 1585 1 7 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.862 -0.556 25376 1586 1 7 . 1 1 65 65 LYS H H 65 8.175 8.175 8.625 -0.450 25376 1587 1 7 . 1 1 66 66 CYS N N 66 117.296 117.296 117.078 0.218 25376 1588 1 7 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.785 -0.093 25376 1589 1 7 . 1 1 66 66 CYS CA C 66 53.727 53.727 56.263 -2.536 25376 1590 1 7 . 1 1 66 66 CYS H H 66 8.790 8.790 8.248 0.542 25376 1591 1 7 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.608 -0.211 25376 1592 1 7 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.539 0.289 25376 1593 1 7 . 1 1 67 67 PRO CB C 67 31.785 31.785 32.610 -0.825 25376 1594 1 7 . 1 1 68 68 LYS N N 68 121.724 121.724 120.315 1.409 25376 1595 1 7 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.668 -0.383 25376 1596 1 7 . 1 1 68 68 LYS CA C 68 54.929 54.929 54.772 0.157 25376 1597 1 7 . 1 1 68 68 LYS CB C 68 33.327 33.327 36.222 -2.895 25376 1598 1 7 . 1 1 68 68 LYS H H 68 8.662 8.662 8.296 0.366 25376 1599 1 7 . 1 1 69 69 LEU N N 69 125.851 125.851 123.372 2.479 25376 1600 1 7 . 1 1 69 69 LEU HA H 69 4.474 4.474 4.997 -0.523 25376 1601 1 7 . 1 1 69 69 LEU CA C 69 54.454 54.454 53.603 0.851 25376 1602 1 7 . 1 1 69 69 LEU CB C 69 41.720 41.720 41.367 0.353 25376 1603 1 7 . 1 1 69 69 LEU H H 69 8.320 8.320 8.588 -0.268 25376 1604 1 7 . 1 1 70 70 LEU N N 70 128.488 128.488 125.281 3.207 25376 1605 1 7 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.185 0.463 25376 1606 1 7 . 1 1 70 70 LEU CA C 70 53.127 53.127 54.911 -1.784 25376 1607 1 7 . 1 1 70 70 LEU CB C 70 42.832 42.832 41.661 1.171 25376 1608 1 7 . 1 1 70 70 LEU H H 70 8.677 8.677 7.790 0.887 25376 1609 1 7 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.363 -0.087 25376 1610 1 7 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.576 0.214 25376 1611 1 7 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.543 -0.083 25376 1612 1 7 . 1 1 72 72 CYS N N 72 112.135 112.135 115.918 -3.783 25376 1613 1 7 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.661 -0.387 25376 1614 1 7 . 1 1 72 72 CYS CA C 72 57.194 57.194 57.683 -0.489 25376 1615 1 7 . 1 1 72 72 CYS CB C 72 31.085 31.085 25.798 5.287 25376 1616 1 7 . 1 1 72 72 CYS H H 72 7.204 7.204 7.760 -0.556 25376 1617 1 7 . 1 1 73 73 LEU N N 73 114.341 114.341 116.032 -1.691 25376 1618 1 7 . 1 1 73 73 LEU HA H 73 3.868 3.868 4.000 -0.132 25376 1619 1 7 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.243 1.257 25376 1620 1 7 . 1 1 73 73 LEU CB C 73 37.671 37.671 39.321 -1.650 25376 1621 1 7 . 1 1 73 73 LEU H H 73 8.043 8.043 7.461 0.582 25376 1622 1 7 . 1 1 74 74 HIS N N 74 120.386 120.386 116.733 3.653 25376 1623 1 7 . 1 1 74 74 HIS HA H 74 4.990 4.990 4.907 0.083 25376 1624 1 7 . 1 1 74 74 HIS CA C 74 58.672 58.672 53.850 4.822 25376 1625 1 7 . 1 1 74 74 HIS CB C 74 31.354 31.354 31.909 -0.555 25376 1626 1 7 . 1 1 74 74 HIS H H 74 7.831 7.831 7.556 0.275 25376 1627 1 7 . 1 1 75 75 THR N N 75 118.963 118.963 117.492 1.471 25376 1628 1 7 . 1 1 75 75 THR HA H 75 4.730 4.730 4.582 0.148 25376 1629 1 7 . 1 1 75 75 THR CA C 75 62.185 62.185 62.303 -0.118 25376 1630 1 7 . 1 1 75 75 THR CB C 75 69.640 69.640 69.645 -0.005 25376 1631 1 7 . 1 1 75 75 THR H H 75 8.889 8.889 8.275 0.614 25376 1632 1 7 . 1 1 76 76 LEU N N 76 128.330 128.330 127.565 0.765 25376 1633 1 7 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.872 1.061 25376 1634 1 7 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.023 -1.514 25376 1635 1 7 . 1 1 76 76 LEU CB C 76 46.194 46.194 46.740 -0.547 25376 1636 1 7 . 1 1 76 76 LEU H H 76 8.767 8.767 8.080 0.687 25376 1637 1 7 . 1 1 77 77 CYS N N 77 119.360 119.360 116.279 3.081 25376 1638 1 7 . 1 1 77 77 CYS HA H 77 4.732 4.732 4.942 -0.210 25376 1639 1 7 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.578 0.291 25376 1640 1 7 . 1 1 77 77 CYS CB C 77 31.698 31.698 29.537 2.161 25376 1641 1 7 . 1 1 77 77 CYS H H 77 9.510 9.510 8.329 1.181 25376 1642 1 7 . 1 1 78 78 SER N N 78 114.841 114.841 118.186 -3.345 25376 1643 1 7 . 1 1 78 78 SER HA H 78 4.037 4.037 4.077 -0.040 25376 1644 1 7 . 1 1 78 78 SER CA C 78 61.756 61.756 61.699 0.057 25376 1645 1 7 . 1 1 78 78 SER CB C 78 62.254 62.254 63.017 -0.763 25376 1646 1 7 . 1 1 78 78 SER H H 78 8.593 8.593 8.679 -0.086 25376 1647 1 7 . 1 1 79 79 GLY N N 79 111.904 111.904 108.867 3.037 25376 1648 1 7 . 1 1 79 79 GLY CA C 79 46.777 46.777 46.991 -0.214 25376 1649 1 7 . 1 1 79 79 GLY H H 79 8.391 8.391 8.775 -0.384 25376 1650 1 7 . 1 1 80 80 CYS N N 80 126.807 126.807 119.505 7.302 25376 1651 1 7 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.269 -0.315 25376 1652 1 7 . 1 1 80 80 CYS CA C 80 65.189 65.189 62.180 3.009 25376 1653 1 7 . 1 1 80 80 CYS CB C 80 28.846 28.846 26.107 2.740 25376 1654 1 7 . 1 1 80 80 CYS H H 80 9.039 9.039 7.853 1.186 25376 1655 1 7 . 1 1 81 81 LEU N N 81 120.440 120.440 121.492 -1.052 25376 1656 1 7 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.035 0.097 25376 1657 1 7 . 1 1 81 81 LEU CA C 81 57.443 57.443 57.819 -0.376 25376 1658 1 7 . 1 1 81 81 LEU CB C 81 41.782 41.782 40.756 1.026 25376 1659 1 7 . 1 1 81 81 LEU H H 81 8.109 8.109 8.029 0.080 25376 1660 1 7 . 1 1 82 82 GLU N N 82 120.149 120.149 119.449 0.700 25376 1661 1 7 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.123 -0.086 25376 1662 1 7 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.272 0.047 25376 1663 1 7 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.873 -0.946 25376 1664 1 7 . 1 1 82 82 GLU H H 82 8.432 8.432 7.980 0.452 25376 1665 1 7 . 1 1 83 83 ALA N N 83 120.334 120.334 123.207 -2.873 25376 1666 1 7 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.195 0.104 25376 1667 1 7 . 1 1 83 83 ALA CA C 83 53.543 53.543 54.708 -1.165 25376 1668 1 7 . 1 1 83 83 ALA CB C 83 18.334 18.334 18.617 -0.283 25376 1669 1 7 . 1 1 83 83 ALA H H 83 7.715 7.715 8.079 -0.364 25376 1670 1 7 . 1 1 84 84 SER N N 84 112.368 112.368 113.369 -1.001 25376 1671 1 7 . 1 1 84 84 SER HA H 84 4.494 4.494 4.506 -0.012 25376 1672 1 7 . 1 1 84 84 SER CA C 84 58.210 58.210 57.477 0.733 25376 1673 1 7 . 1 1 84 84 SER CB C 84 63.837 63.837 63.208 0.629 25376 1674 1 7 . 1 1 84 84 SER H H 84 7.570 7.570 7.871 -0.301 25376 1675 1 7 . 1 1 85 85 GLY N N 85 110.612 110.612 109.791 0.821 25376 1676 1 7 . 1 1 85 85 GLY CA C 85 46.841 46.841 46.064 0.777 25376 1677 1 7 . 1 1 85 85 GLY H H 85 7.955 7.955 7.491 0.464 25376 1678 1 7 . 1 1 86 86 MET N N 86 113.856 113.856 113.245 0.611 25376 1679 1 7 . 1 1 86 86 MET HA H 86 3.804 3.804 3.959 -0.155 25376 1680 1 7 . 1 1 86 86 MET CA C 86 55.160 55.160 56.199 -1.039 25376 1681 1 7 . 1 1 86 86 MET CB C 86 28.494 28.494 29.925 -1.431 25376 1682 1 7 . 1 1 86 86 MET H H 86 8.489 8.489 8.218 0.271 25376 1683 1 7 . 1 1 87 87 GLN N N 87 116.394 116.394 117.498 -1.104 25376 1684 1 7 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.179 0.270 25376 1685 1 7 . 1 1 87 87 GLN CA C 87 53.404 53.404 57.677 -4.273 25376 1686 1 7 . 1 1 87 87 GLN CB C 87 30.964 30.964 29.898 1.066 25376 1687 1 7 . 1 1 87 87 GLN H H 87 7.188 7.188 7.691 -0.503 25376 1688 1 7 . 1 1 88 88 CYS N N 88 124.484 124.484 119.377 5.107 25376 1689 1 7 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.994 -0.694 25376 1690 1 7 . 1 1 88 88 CYS CA C 88 57.101 57.101 56.663 0.439 25376 1691 1 7 . 1 1 88 88 CYS CB C 88 31.117 31.117 26.680 4.437 25376 1692 1 7 . 1 1 88 88 CYS H H 88 8.616 8.616 8.660 -0.044 25376 1693 1 7 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.429 0.080 25376 1694 1 7 . 1 1 89 89 PRO CA C 89 63.715 63.715 65.037 -1.323 25376 1695 1 7 . 1 1 89 89 PRO CB C 89 31.717 31.717 32.281 -0.564 25376 1696 1 7 . 1 1 90 90 ILE N N 90 123.484 123.484 116.309 7.175 25376 1697 1 7 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.726 0.057 25376 1698 1 7 . 1 1 90 90 ILE CA C 90 62.878 62.878 60.498 2.380 25376 1699 1 7 . 1 1 90 90 ILE CB C 90 37.483 37.483 35.439 2.044 25376 1700 1 7 . 1 1 90 90 ILE H H 90 8.908 8.908 7.908 1.000 25376 1701 1 7 . 1 1 91 91 CYS N N 91 120.890 120.890 117.053 3.837 25376 1702 1 7 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.370 0.147 25376 1703 1 7 . 1 1 91 91 CYS CA C 91 60.891 60.891 59.546 1.345 25376 1704 1 7 . 1 1 91 91 CYS CB C 91 31.244 31.244 25.711 5.533 25376 1705 1 7 . 1 1 91 91 CYS H H 91 8.587 8.587 7.498 1.089 25376 1706 1 7 . 1 1 92 92 GLN N N 92 116.563 116.563 119.180 -2.617 25376 1707 1 7 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.038 0.094 25376 1708 1 7 . 1 1 92 92 GLN CA C 92 56.824 56.824 57.634 -0.810 25376 1709 1 7 . 1 1 92 92 GLN CB C 92 27.216 27.216 28.920 -1.704 25376 1710 1 7 . 1 1 92 92 GLN H H 92 7.787 7.787 7.704 0.083 25376 1711 1 7 . 1 1 93 93 ALA N N 93 125.273 125.273 120.343 4.930 25376 1712 1 7 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.758 -0.197 25376 1713 1 7 . 1 1 93 93 ALA CA C 93 50.862 50.862 49.555 1.307 25376 1714 1 7 . 1 1 93 93 ALA CB C 93 18.415 18.415 20.454 -2.039 25376 1715 1 7 . 1 1 93 93 ALA H H 93 8.031 8.031 7.384 0.647 25376 1716 1 7 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.578 -0.040 25376 1717 1 7 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.606 -0.093 25376 1718 1 7 . 1 1 94 94 PRO CB C 94 31.684 31.684 29.892 1.792 25376 1719 1 7 . 1 1 95 95 TRP N N 95 121.986 121.986 125.412 -3.426 25376 1720 1 7 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.801 0.241 25376 1721 1 7 . 1 1 95 95 TRP CA C 95 54.005 54.005 54.170 -0.165 25376 1722 1 7 . 1 1 95 95 TRP CB C 95 28.846 28.846 28.215 0.631 25376 1723 1 7 . 1 1 95 95 TRP H H 95 8.012 8.012 8.380 -0.368 25376 1724 1 7 . 1 1 96 96 PRO HA H 96 4.490 4.490 4.096 0.394 25376 1725 1 7 . 1 1 96 96 PRO CA C 96 62.900 62.900 62.259 0.641 25376 1726 1 7 . 1 1 96 96 PRO CB C 96 31.550 31.550 31.499 0.051 25376 1727 1 7 . 1 1 97 97 LEU N N 97 122.075 122.075 124.190 -2.115 25376 1728 1 7 . 1 1 97 97 LEU HA H 97 4.299 4.299 3.933 0.366 25376 1729 1 7 . 1 1 97 97 LEU CA C 97 55.206 55.206 55.628 -0.422 25376 1730 1 7 . 1 1 97 97 LEU CB C 97 42.046 42.046 42.551 -0.505 25376 1731 1 7 . 1 1 97 97 LEU H H 97 8.224 8.224 8.006 0.218 25376 1732 1 7 . 1 1 98 98 GLY N N 98 110.020 110.020 107.588 2.432 25376 1733 1 7 . 1 1 98 98 GLY CA C 98 45.085 45.085 44.461 0.624 25376 1734 1 7 . 1 1 98 98 GLY H H 98 8.444 8.444 8.380 0.064 25376 1735 1 7 . 1 1 99 99 ALA N N 99 123.511 123.511 124.929 -1.418 25376 1736 1 7 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.333 -0.034 25376 1737 1 7 . 1 1 99 99 ALA CA C 99 52.249 52.249 51.753 0.496 25376 1738 1 7 . 1 1 99 99 ALA CB C 99 18.936 18.936 20.121 -1.185 25376 1739 1 7 . 1 1 99 99 ALA H H 99 8.176 8.176 8.114 0.062 25376 1740 1 7 . 1 1 100 100 ASP N N 100 119.098 119.098 122.279 -3.181 25376 1741 1 7 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.582 -0.021 25376 1742 1 7 . 1 1 100 100 ASP CA C 100 53.912 53.912 55.051 -1.139 25376 1743 1 7 . 1 1 100 100 ASP CB C 100 40.580 40.580 39.929 0.651 25376 1744 1 7 . 1 1 100 100 ASP H H 100 8.383 8.383 8.409 -0.026 25376 1745 1 7 . 1 1 101 101 THR N N 101 116.696 116.696 118.822 -2.126 25376 1746 1 7 . 1 1 101 101 THR HA H 101 4.517 4.517 4.636 -0.119 25376 1747 1 7 . 1 1 101 101 THR CA C 101 59.551 59.551 59.742 -0.191 25376 1748 1 7 . 1 1 101 101 THR CB C 101 69.589 69.589 69.916 -0.327 25376 1749 1 7 . 1 1 101 101 THR H H 101 8.017 8.017 7.837 0.180 25376 1750 1 7 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.507 -0.171 25376 1751 1 7 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.484 0.400 25376 1752 1 7 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.349 -0.582 25376 1753 1 7 . 1 1 103 103 ALA N N 103 125.184 125.184 124.218 0.966 25376 1754 1 7 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.296 -0.011 25376 1755 1 7 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.725 0.292 25376 1756 1 7 . 1 1 103 103 ALA CB C 103 18.974 18.974 19.396 -0.422 25376 1757 1 7 . 1 1 103 103 ALA H H 103 8.333 8.333 8.115 0.218 25376 1758 1 8 . 1 1 50 50 GLU N N 50 120.583 120.583 120.361 0.222 25376 1759 1 8 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.465 -0.297 25376 1760 1 8 . 1 1 50 50 GLU CA C 50 56.824 56.824 55.939 0.885 25376 1761 1 8 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.541 -0.823 25376 1762 1 8 . 1 1 50 50 GLU H H 50 8.300 8.300 8.193 0.107 25376 1763 1 8 . 1 1 51 51 GLU N N 51 121.142 121.142 119.808 1.334 25376 1764 1 8 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.324 -0.200 25376 1765 1 8 . 1 1 51 51 GLU CA C 51 56.362 56.362 57.612 -1.250 25376 1766 1 8 . 1 1 51 51 GLU CB C 51 29.727 29.727 30.313 -0.586 25376 1767 1 8 . 1 1 51 51 GLU H H 51 8.140 8.140 8.616 -0.476 25376 1768 1 8 . 1 1 52 52 PHE N N 52 120.500 120.500 116.321 4.179 25376 1769 1 8 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.682 -0.167 25376 1770 1 8 . 1 1 52 52 PHE CA C 52 57.409 57.409 57.363 0.046 25376 1771 1 8 . 1 1 52 52 PHE CB C 52 39.326 39.326 42.048 -2.722 25376 1772 1 8 . 1 1 52 52 PHE H H 52 8.106 8.106 7.632 0.474 25376 1773 1 8 . 1 1 53 53 GLN N N 53 121.616 121.616 121.280 0.336 25376 1774 1 8 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.474 -0.262 25376 1775 1 8 . 1 1 53 53 GLN CA C 53 55.345 55.345 54.868 0.477 25376 1776 1 8 . 1 1 53 53 GLN CB C 53 29.357 29.357 26.970 2.387 25376 1777 1 8 . 1 1 53 53 GLN H H 53 8.047 8.047 8.106 -0.059 25376 1778 1 8 . 1 1 54 54 PHE N N 54 120.217 120.217 120.851 -0.634 25376 1779 1 8 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.657 -0.009 25376 1780 1 8 . 1 1 54 54 PHE CA C 54 56.824 56.824 57.848 -1.024 25376 1781 1 8 . 1 1 54 54 PHE CB C 54 39.522 39.522 42.399 -2.877 25376 1782 1 8 . 1 1 54 54 PHE H H 54 7.956 7.956 7.862 0.094 25376 1783 1 8 . 1 1 55 55 LEU N N 55 123.391 123.391 121.258 2.133 25376 1784 1 8 . 1 1 55 55 LEU HA H 55 4.386 4.386 5.031 -0.645 25376 1785 1 8 . 1 1 55 55 LEU CA C 55 54.421 54.421 53.179 1.242 25376 1786 1 8 . 1 1 55 55 LEU CB C 55 43.024 43.024 45.664 -2.640 25376 1787 1 8 . 1 1 55 55 LEU H H 55 8.567 8.567 8.679 -0.112 25376 1788 1 8 . 1 1 56 56 ARG N N 56 120.442 120.442 119.964 0.478 25376 1789 1 8 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.870 -0.301 25376 1790 1 8 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.569 -0.016 25376 1791 1 8 . 1 1 56 56 ARG CB C 56 31.817 31.817 31.509 0.308 25376 1792 1 8 . 1 1 56 56 ARG H H 56 8.101 8.101 8.293 -0.192 25376 1793 1 8 . 1 1 57 57 CYS N N 57 123.891 123.891 127.206 -3.315 25376 1794 1 8 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.329 -0.376 25376 1795 1 8 . 1 1 57 57 CYS CA C 57 59.135 59.135 59.764 -0.629 25376 1796 1 8 . 1 1 57 57 CYS CB C 57 31.290 31.290 28.646 2.643 25376 1797 1 8 . 1 1 57 57 CYS H H 57 8.828 8.828 8.619 0.209 25376 1798 1 8 . 1 1 58 58 GLN N N 58 128.172 128.172 127.722 0.450 25376 1799 1 8 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.138 -0.017 25376 1800 1 8 . 1 1 58 58 GLN CA C 58 58.528 58.528 57.463 1.065 25376 1801 1 8 . 1 1 58 58 GLN CB C 58 29.950 29.950 27.913 2.037 25376 1802 1 8 . 1 1 58 58 GLN H H 58 9.222 9.222 8.570 0.652 25376 1803 1 8 . 1 1 59 59 GLN N N 59 121.709 121.709 115.032 6.677 25376 1804 1 8 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.387 0.202 25376 1805 1 8 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.493 0.116 25376 1806 1 8 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.232 0.485 25376 1807 1 8 . 1 1 59 59 GLN H H 59 9.200 9.200 7.598 1.602 25376 1808 1 8 . 1 1 60 60 CYS N N 60 119.482 119.482 117.533 1.949 25376 1809 1 8 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.718 0.076 25376 1810 1 8 . 1 1 60 60 CYS CA C 60 59.458 59.458 59.483 -0.025 25376 1811 1 8 . 1 1 60 60 CYS CB C 60 32.179 32.179 27.805 4.374 25376 1812 1 8 . 1 1 60 60 CYS H H 60 8.566 8.566 7.685 0.881 25376 1813 1 8 . 1 1 61 61 GLN N N 61 115.153 115.153 114.866 0.287 25376 1814 1 8 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.981 0.172 25376 1815 1 8 . 1 1 61 61 GLN CA C 61 57.979 57.979 56.872 1.107 25376 1816 1 8 . 1 1 61 61 GLN CB C 61 25.342 25.342 25.729 -0.387 25376 1817 1 8 . 1 1 61 61 GLN H H 61 7.672 7.672 8.486 -0.814 25376 1818 1 8 . 1 1 62 62 ALA N N 62 124.669 124.669 119.160 5.509 25376 1819 1 8 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.685 -0.248 25376 1820 1 8 . 1 1 62 62 ALA CA C 62 52.064 52.064 51.224 0.840 25376 1821 1 8 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.470 -0.648 25376 1822 1 8 . 1 1 62 62 ALA H H 62 8.728 8.728 7.593 1.135 25376 1823 1 8 . 1 1 63 63 GLU N N 63 119.649 119.649 119.018 0.631 25376 1824 1 8 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.314 -0.277 25376 1825 1 8 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.870 -0.538 25376 1826 1 8 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.950 -0.688 25376 1827 1 8 . 1 1 63 63 GLU H H 63 8.523 8.523 8.556 -0.033 25376 1828 1 8 . 1 1 64 64 ALA N N 64 128.762 128.762 129.268 -0.506 25376 1829 1 8 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.768 -0.382 25376 1830 1 8 . 1 1 64 64 ALA CA C 64 50.354 50.354 50.713 -0.359 25376 1831 1 8 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.778 -1.443 25376 1832 1 8 . 1 1 64 64 ALA H H 64 8.581 8.581 8.767 -0.186 25376 1833 1 8 . 1 1 65 65 LYS N N 65 122.223 122.223 124.938 -2.715 25376 1834 1 8 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.201 -0.120 25376 1835 1 8 . 1 1 65 65 LYS CA C 65 57.055 57.055 59.703 -2.648 25376 1836 1 8 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.902 -0.596 25376 1837 1 8 . 1 1 65 65 LYS H H 65 8.175 8.175 8.579 -0.404 25376 1838 1 8 . 1 1 66 66 CYS N N 66 117.296 117.296 117.263 0.033 25376 1839 1 8 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.650 0.042 25376 1840 1 8 . 1 1 66 66 CYS CA C 66 53.727 53.727 56.148 -2.421 25376 1841 1 8 . 1 1 66 66 CYS H H 66 8.790 8.790 8.306 0.484 25376 1842 1 8 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.666 -0.269 25376 1843 1 8 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.894 -0.065 25376 1844 1 8 . 1 1 67 67 PRO CB C 67 31.785 31.785 32.707 -0.922 25376 1845 1 8 . 1 1 68 68 LYS N N 68 121.724 121.724 118.186 3.538 25376 1846 1 8 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.680 -0.395 25376 1847 1 8 . 1 1 68 68 LYS CA C 68 54.929 54.929 54.502 0.427 25376 1848 1 8 . 1 1 68 68 LYS CB C 68 33.327 33.327 36.421 -3.094 25376 1849 1 8 . 1 1 68 68 LYS H H 68 8.662 8.662 8.431 0.231 25376 1850 1 8 . 1 1 69 69 LEU N N 69 125.851 125.851 123.417 2.434 25376 1851 1 8 . 1 1 69 69 LEU HA H 69 4.474 4.474 4.911 -0.437 25376 1852 1 8 . 1 1 69 69 LEU CA C 69 54.454 54.454 53.798 0.656 25376 1853 1 8 . 1 1 69 69 LEU CB C 69 41.720 41.720 42.415 -0.695 25376 1854 1 8 . 1 1 69 69 LEU H H 69 8.320 8.320 8.526 -0.206 25376 1855 1 8 . 1 1 70 70 LEU N N 70 128.488 128.488 126.186 2.302 25376 1856 1 8 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.333 0.315 25376 1857 1 8 . 1 1 70 70 LEU CA C 70 53.127 53.127 54.170 -1.044 25376 1858 1 8 . 1 1 70 70 LEU CB C 70 42.832 42.832 41.129 1.703 25376 1859 1 8 . 1 1 70 70 LEU H H 70 8.677 8.677 8.306 0.371 25376 1860 1 8 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.401 -0.125 25376 1861 1 8 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.240 0.550 25376 1862 1 8 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.950 -0.490 25376 1863 1 8 . 1 1 72 72 CYS N N 72 112.135 112.135 116.340 -4.205 25376 1864 1 8 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.562 -0.288 25376 1865 1 8 . 1 1 72 72 CYS CA C 72 57.194 57.194 59.315 -2.121 25376 1866 1 8 . 1 1 72 72 CYS CB C 72 31.085 31.085 29.274 1.811 25376 1867 1 8 . 1 1 72 72 CYS H H 72 7.204 7.204 8.413 -1.209 25376 1868 1 8 . 1 1 73 73 LEU N N 73 114.341 114.341 112.687 1.654 25376 1869 1 8 . 1 1 73 73 LEU HA H 73 3.868 3.868 4.419 -0.551 25376 1870 1 8 . 1 1 73 73 LEU CA C 73 56.500 56.500 54.909 1.591 25376 1871 1 8 . 1 1 73 73 LEU CB C 73 37.671 37.671 41.189 -3.518 25376 1872 1 8 . 1 1 73 73 LEU H H 73 8.043 8.043 7.646 0.397 25376 1873 1 8 . 1 1 74 74 HIS N N 74 120.386 120.386 116.831 3.555 25376 1874 1 8 . 1 1 74 74 HIS HA H 74 4.990 4.990 5.125 -0.135 25376 1875 1 8 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.645 4.027 25376 1876 1 8 . 1 1 74 74 HIS CB C 74 31.354 31.354 34.225 -2.872 25376 1877 1 8 . 1 1 74 74 HIS H H 74 7.831 7.831 7.857 -0.026 25376 1878 1 8 . 1 1 75 75 THR N N 75 118.963 118.963 117.019 1.944 25376 1879 1 8 . 1 1 75 75 THR HA H 75 4.730 4.730 5.015 -0.285 25376 1880 1 8 . 1 1 75 75 THR CA C 75 62.185 62.185 62.250 -0.065 25376 1881 1 8 . 1 1 75 75 THR CB C 75 69.640 69.640 69.930 -0.289 25376 1882 1 8 . 1 1 75 75 THR H H 75 8.889 8.889 8.714 0.175 25376 1883 1 8 . 1 1 76 76 LEU N N 76 128.330 128.330 126.633 1.697 25376 1884 1 8 . 1 1 76 76 LEU HA H 76 5.933 5.933 5.025 0.908 25376 1885 1 8 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.002 -1.493 25376 1886 1 8 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.124 -0.930 25376 1887 1 8 . 1 1 76 76 LEU H H 76 8.767 8.767 8.371 0.396 25376 1888 1 8 . 1 1 77 77 CYS N N 77 119.360 119.360 117.344 2.016 25376 1889 1 8 . 1 1 77 77 CYS HA H 77 4.732 4.732 4.973 -0.241 25376 1890 1 8 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.486 0.384 25376 1891 1 8 . 1 1 77 77 CYS CB C 77 31.698 31.698 29.418 2.280 25376 1892 1 8 . 1 1 77 77 CYS H H 77 9.510 9.510 8.474 1.036 25376 1893 1 8 . 1 1 78 78 SER N N 78 114.841 114.841 117.902 -3.061 25376 1894 1 8 . 1 1 78 78 SER HA H 78 4.037 4.037 4.144 -0.107 25376 1895 1 8 . 1 1 78 78 SER CA C 78 61.756 61.756 61.990 -0.234 25376 1896 1 8 . 1 1 78 78 SER CB C 78 62.254 62.254 63.253 -0.999 25376 1897 1 8 . 1 1 78 78 SER H H 78 8.593 8.593 8.503 0.090 25376 1898 1 8 . 1 1 79 79 GLY N N 79 111.904 111.904 108.431 3.473 25376 1899 1 8 . 1 1 79 79 GLY CA C 79 46.777 46.777 47.062 -0.285 25376 1900 1 8 . 1 1 79 79 GLY H H 79 8.391 8.391 8.542 -0.151 25376 1901 1 8 . 1 1 80 80 CYS N N 80 126.807 126.807 120.259 6.548 25376 1902 1 8 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.473 -0.519 25376 1903 1 8 . 1 1 80 80 CYS CA C 80 65.189 65.189 61.493 3.696 25376 1904 1 8 . 1 1 80 80 CYS CB C 80 28.846 28.846 25.986 2.860 25376 1905 1 8 . 1 1 80 80 CYS H H 80 9.039 9.039 7.885 1.154 25376 1906 1 8 . 1 1 81 81 LEU N N 81 120.440 120.440 121.881 -1.441 25376 1907 1 8 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.054 0.078 25376 1908 1 8 . 1 1 81 81 LEU CA C 81 57.443 57.443 58.041 -0.598 25376 1909 1 8 . 1 1 81 81 LEU CB C 81 41.782 41.782 40.989 0.793 25376 1910 1 8 . 1 1 81 81 LEU H H 81 8.109 8.109 8.092 0.017 25376 1911 1 8 . 1 1 82 82 GLU N N 82 120.149 120.149 119.171 0.978 25376 1912 1 8 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.125 -0.088 25376 1913 1 8 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.219 0.100 25376 1914 1 8 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.891 -0.964 25376 1915 1 8 . 1 1 82 82 GLU H H 82 8.432 8.432 7.914 0.518 25376 1916 1 8 . 1 1 83 83 ALA N N 83 120.334 120.334 123.294 -2.960 25376 1917 1 8 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.229 0.070 25376 1918 1 8 . 1 1 83 83 ALA CA C 83 53.543 53.543 54.595 -1.052 25376 1919 1 8 . 1 1 83 83 ALA CB C 83 18.334 18.334 18.850 -0.516 25376 1920 1 8 . 1 1 83 83 ALA H H 83 7.715 7.715 8.055 -0.340 25376 1921 1 8 . 1 1 84 84 SER N N 84 112.368 112.368 113.423 -1.055 25376 1922 1 8 . 1 1 84 84 SER HA H 84 4.494 4.494 4.471 0.023 25376 1923 1 8 . 1 1 84 84 SER CA C 84 58.210 58.210 57.785 0.425 25376 1924 1 8 . 1 1 84 84 SER CB C 84 63.837 63.837 63.234 0.603 25376 1925 1 8 . 1 1 84 84 SER H H 84 7.570 7.570 8.043 -0.473 25376 1926 1 8 . 1 1 85 85 GLY N N 85 110.612 110.612 110.057 0.555 25376 1927 1 8 . 1 1 85 85 GLY CA C 85 46.841 46.841 46.146 0.695 25376 1928 1 8 . 1 1 85 85 GLY H H 85 7.955 7.955 7.493 0.462 25376 1929 1 8 . 1 1 86 86 MET N N 86 113.856 113.856 112.865 0.991 25376 1930 1 8 . 1 1 86 86 MET HA H 86 3.804 3.804 4.002 -0.198 25376 1931 1 8 . 1 1 86 86 MET CA C 86 55.160 55.160 56.229 -1.069 25376 1932 1 8 . 1 1 86 86 MET CB C 86 28.494 28.494 29.744 -1.250 25376 1933 1 8 . 1 1 86 86 MET H H 86 8.489 8.489 8.272 0.217 25376 1934 1 8 . 1 1 87 87 GLN N N 87 116.394 116.394 118.514 -2.120 25376 1935 1 8 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.230 0.219 25376 1936 1 8 . 1 1 87 87 GLN CA C 87 53.404 53.404 57.205 -3.800 25376 1937 1 8 . 1 1 87 87 GLN CB C 87 30.964 30.964 30.308 0.656 25376 1938 1 8 . 1 1 87 87 GLN H H 87 7.188 7.188 7.836 -0.648 25376 1939 1 8 . 1 1 88 88 CYS N N 88 124.484 124.484 117.921 6.563 25376 1940 1 8 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.732 -0.432 25376 1941 1 8 . 1 1 88 88 CYS CA C 88 57.101 57.101 56.865 0.236 25376 1942 1 8 . 1 1 88 88 CYS CB C 88 31.117 31.117 26.841 4.276 25376 1943 1 8 . 1 1 88 88 CYS H H 88 8.616 8.616 8.491 0.125 25376 1944 1 8 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.346 0.163 25376 1945 1 8 . 1 1 89 89 PRO CA C 89 63.715 63.715 65.082 -1.367 25376 1946 1 8 . 1 1 89 89 PRO CB C 89 31.717 31.717 31.530 0.187 25376 1947 1 8 . 1 1 90 90 ILE N N 90 123.484 123.484 117.154 6.330 25376 1948 1 8 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.869 -0.086 25376 1949 1 8 . 1 1 90 90 ILE CA C 90 62.878 62.878 61.263 1.615 25376 1950 1 8 . 1 1 90 90 ILE CB C 90 37.483 37.483 35.743 1.740 25376 1951 1 8 . 1 1 90 90 ILE H H 90 8.908 8.908 8.120 0.788 25376 1952 1 8 . 1 1 91 91 CYS N N 91 120.890 120.890 118.945 1.945 25376 1953 1 8 . 1 1 91 91 CYS HA H 91 4.517 4.517 3.992 0.525 25376 1954 1 8 . 1 1 91 91 CYS CA C 91 60.891 60.891 60.879 0.012 25376 1955 1 8 . 1 1 91 91 CYS CB C 91 31.244 31.244 25.597 5.647 25376 1956 1 8 . 1 1 91 91 CYS H H 91 8.587 8.587 7.440 1.147 25376 1957 1 8 . 1 1 92 92 GLN N N 92 116.563 116.563 118.846 -2.283 25376 1958 1 8 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.178 -0.046 25376 1959 1 8 . 1 1 92 92 GLN CA C 92 56.824 56.824 56.858 -0.034 25376 1960 1 8 . 1 1 92 92 GLN CB C 92 27.216 27.216 29.078 -1.862 25376 1961 1 8 . 1 1 92 92 GLN H H 92 7.787 7.787 7.616 0.171 25376 1962 1 8 . 1 1 93 93 ALA N N 93 125.273 125.273 123.260 2.013 25376 1963 1 8 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.726 -0.165 25376 1964 1 8 . 1 1 93 93 ALA CA C 93 50.862 50.862 49.118 1.744 25376 1965 1 8 . 1 1 93 93 ALA CB C 93 18.415 18.415 19.088 -0.673 25376 1966 1 8 . 1 1 93 93 ALA H H 93 8.031 8.031 7.747 0.284 25376 1967 1 8 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.696 -0.158 25376 1968 1 8 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.981 -0.468 25376 1969 1 8 . 1 1 94 94 PRO CB C 94 31.684 31.684 30.806 0.878 25376 1970 1 8 . 1 1 95 95 TRP N N 95 121.986 121.986 126.888 -4.902 25376 1971 1 8 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.996 0.046 25376 1972 1 8 . 1 1 95 95 TRP CA C 95 54.005 54.005 53.770 0.235 25376 1973 1 8 . 1 1 95 95 TRP CB C 95 28.846 28.846 29.082 -0.236 25376 1974 1 8 . 1 1 95 95 TRP H H 95 8.012 8.012 8.084 -0.072 25376 1975 1 8 . 1 1 96 96 PRO HA H 96 4.490 4.490 4.237 0.253 25376 1976 1 8 . 1 1 96 96 PRO CA C 96 62.900 62.900 62.807 0.093 25376 1977 1 8 . 1 1 96 96 PRO CB C 96 31.550 31.550 31.663 -0.113 25376 1978 1 8 . 1 1 97 97 LEU N N 97 122.075 122.075 121.606 0.469 25376 1979 1 8 . 1 1 97 97 LEU HA H 97 4.299 4.299 3.837 0.462 25376 1980 1 8 . 1 1 97 97 LEU CA C 97 55.206 55.206 54.464 0.742 25376 1981 1 8 . 1 1 97 97 LEU CB C 97 42.046 42.046 42.456 -0.410 25376 1982 1 8 . 1 1 97 97 LEU H H 97 8.224 8.224 7.801 0.423 25376 1983 1 8 . 1 1 98 98 GLY N N 98 110.020 110.020 107.836 2.184 25376 1984 1 8 . 1 1 98 98 GLY CA C 98 45.085 45.085 45.828 -0.743 25376 1985 1 8 . 1 1 98 98 GLY H H 98 8.444 8.444 8.907 -0.463 25376 1986 1 8 . 1 1 99 99 ALA N N 99 123.511 123.511 125.006 -1.495 25376 1987 1 8 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.646 -0.347 25376 1988 1 8 . 1 1 99 99 ALA CA C 99 52.249 52.249 51.873 0.376 25376 1989 1 8 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.374 -0.438 25376 1990 1 8 . 1 1 99 99 ALA H H 99 8.176 8.176 7.896 0.280 25376 1991 1 8 . 1 1 100 100 ASP N N 100 119.098 119.098 123.051 -3.953 25376 1992 1 8 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.925 -0.364 25376 1993 1 8 . 1 1 100 100 ASP CA C 100 53.912 53.912 54.400 -0.488 25376 1994 1 8 . 1 1 100 100 ASP CB C 100 40.580 40.580 42.548 -1.968 25376 1995 1 8 . 1 1 100 100 ASP H H 100 8.383 8.383 8.444 -0.061 25376 1996 1 8 . 1 1 101 101 THR N N 101 116.696 116.696 117.772 -1.076 25376 1997 1 8 . 1 1 101 101 THR HA H 101 4.517 4.517 4.645 -0.128 25376 1998 1 8 . 1 1 101 101 THR CA C 101 59.551 59.551 59.089 0.462 25376 1999 1 8 . 1 1 101 101 THR CB C 101 69.589 69.589 69.454 0.135 25376 2000 1 8 . 1 1 101 101 THR H H 101 8.017 8.017 8.238 -0.221 25376 2001 1 8 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.511 -0.175 25376 2002 1 8 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.412 0.472 25376 2003 1 8 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.418 -0.651 25376 2004 1 8 . 1 1 103 103 ALA N N 103 125.184 125.184 124.035 1.149 25376 2005 1 8 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.384 -0.099 25376 2006 1 8 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.603 0.414 25376 2007 1 8 . 1 1 103 103 ALA CB C 103 18.974 18.974 19.529 -0.555 25376 2008 1 8 . 1 1 103 103 ALA H H 103 8.333 8.333 8.191 0.142 25376 2009 1 9 . 1 1 50 50 GLU N N 50 120.583 120.583 120.457 0.126 25376 2010 1 9 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.722 -0.554 25376 2011 1 9 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.012 0.812 25376 2012 1 9 . 1 1 50 50 GLU CB C 50 29.718 29.718 31.648 -1.930 25376 2013 1 9 . 1 1 50 50 GLU H H 50 8.300 8.300 8.375 -0.075 25376 2014 1 9 . 1 1 51 51 GLU N N 51 121.142 121.142 119.645 1.497 25376 2015 1 9 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.717 -0.593 25376 2016 1 9 . 1 1 51 51 GLU CA C 51 56.362 56.362 55.663 0.699 25376 2017 1 9 . 1 1 51 51 GLU CB C 51 29.727 29.727 31.441 -1.714 25376 2018 1 9 . 1 1 51 51 GLU H H 51 8.140 8.140 8.443 -0.303 25376 2019 1 9 . 1 1 52 52 PHE N N 52 120.500 120.500 120.545 -0.045 25376 2020 1 9 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.863 -0.348 25376 2021 1 9 . 1 1 52 52 PHE CA C 52 57.409 57.409 57.591 -0.182 25376 2022 1 9 . 1 1 52 52 PHE CB C 52 39.326 39.326 41.934 -2.608 25376 2023 1 9 . 1 1 52 52 PHE H H 52 8.106 8.106 8.736 -0.630 25376 2024 1 9 . 1 1 53 53 GLN N N 53 121.616 121.616 124.031 -2.415 25376 2025 1 9 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.433 -0.221 25376 2026 1 9 . 1 1 53 53 GLN CA C 53 55.345 55.345 55.421 -0.076 25376 2027 1 9 . 1 1 53 53 GLN CB C 53 29.357 29.357 28.362 0.995 25376 2028 1 9 . 1 1 53 53 GLN H H 53 8.047 8.047 7.980 0.067 25376 2029 1 9 . 1 1 54 54 PHE N N 54 120.217 120.217 121.166 -0.949 25376 2030 1 9 . 1 1 54 54 PHE HA H 54 4.648 4.648 5.020 -0.372 25376 2031 1 9 . 1 1 54 54 PHE CA C 54 56.824 56.824 55.984 0.840 25376 2032 1 9 . 1 1 54 54 PHE CB C 54 39.522 39.522 40.051 -0.529 25376 2033 1 9 . 1 1 54 54 PHE H H 54 7.956 7.956 7.461 0.495 25376 2034 1 9 . 1 1 55 55 LEU N N 55 123.391 123.391 121.600 1.791 25376 2035 1 9 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.750 -0.364 25376 2036 1 9 . 1 1 55 55 LEU CA C 55 54.421 54.421 54.169 0.252 25376 2037 1 9 . 1 1 55 55 LEU CB C 55 43.024 43.024 43.244 -0.220 25376 2038 1 9 . 1 1 55 55 LEU H H 55 8.567 8.567 8.968 -0.401 25376 2039 1 9 . 1 1 56 56 ARG N N 56 120.442 120.442 119.981 0.461 25376 2040 1 9 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.764 -0.195 25376 2041 1 9 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.657 -0.104 25376 2042 1 9 . 1 1 56 56 ARG CB C 56 31.817 31.817 31.597 0.220 25376 2043 1 9 . 1 1 56 56 ARG H H 56 8.101 8.101 8.331 -0.230 25376 2044 1 9 . 1 1 57 57 CYS N N 57 123.891 123.891 127.401 -3.510 25376 2045 1 9 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.160 -0.207 25376 2046 1 9 . 1 1 57 57 CYS CA C 57 59.135 59.135 59.984 -0.849 25376 2047 1 9 . 1 1 57 57 CYS CB C 57 31.290 31.290 28.429 2.861 25376 2048 1 9 . 1 1 57 57 CYS H H 57 8.828 8.828 8.502 0.326 25376 2049 1 9 . 1 1 58 58 GLN N N 58 128.172 128.172 126.891 1.281 25376 2050 1 9 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.009 0.112 25376 2051 1 9 . 1 1 58 58 GLN CA C 58 58.528 58.528 56.909 1.619 25376 2052 1 9 . 1 1 58 58 GLN CB C 58 29.950 29.950 27.124 2.826 25376 2053 1 9 . 1 1 58 58 GLN H H 58 9.222 9.222 8.234 0.988 25376 2054 1 9 . 1 1 59 59 GLN N N 59 121.709 121.709 115.634 6.075 25376 2055 1 9 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.341 0.248 25376 2056 1 9 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.627 -0.018 25376 2057 1 9 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.095 0.622 25376 2058 1 9 . 1 1 59 59 GLN H H 59 9.200 9.200 7.456 1.744 25376 2059 1 9 . 1 1 60 60 CYS N N 60 119.482 119.482 117.454 2.028 25376 2060 1 9 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.691 0.103 25376 2061 1 9 . 1 1 60 60 CYS CA C 60 59.458 59.458 59.443 0.015 25376 2062 1 9 . 1 1 60 60 CYS CB C 60 32.179 32.179 27.925 4.254 25376 2063 1 9 . 1 1 60 60 CYS H H 60 8.566 8.566 7.616 0.950 25376 2064 1 9 . 1 1 61 61 GLN N N 61 115.153 115.153 115.001 0.152 25376 2065 1 9 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.927 0.226 25376 2066 1 9 . 1 1 61 61 GLN CA C 61 57.979 57.979 56.579 1.400 25376 2067 1 9 . 1 1 61 61 GLN CB C 61 25.342 25.342 25.496 -0.154 25376 2068 1 9 . 1 1 61 61 GLN H H 61 7.672 7.672 8.523 -0.851 25376 2069 1 9 . 1 1 62 62 ALA N N 62 124.669 124.669 120.067 4.602 25376 2070 1 9 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.547 -0.110 25376 2071 1 9 . 1 1 62 62 ALA CA C 62 52.064 52.064 51.076 0.988 25376 2072 1 9 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.608 -0.786 25376 2073 1 9 . 1 1 62 62 ALA H H 62 8.728 8.728 7.616 1.112 25376 2074 1 9 . 1 1 63 63 GLU N N 63 119.649 119.649 118.868 0.781 25376 2075 1 9 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.249 -0.212 25376 2076 1 9 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.562 -0.230 25376 2077 1 9 . 1 1 63 63 GLU CB C 63 29.262 29.262 30.170 -0.908 25376 2078 1 9 . 1 1 63 63 GLU H H 63 8.523 8.523 8.460 0.063 25376 2079 1 9 . 1 1 64 64 ALA N N 64 128.762 128.762 129.207 -0.445 25376 2080 1 9 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.658 -0.272 25376 2081 1 9 . 1 1 64 64 ALA CA C 64 50.354 50.354 51.012 -0.658 25376 2082 1 9 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.809 -1.474 25376 2083 1 9 . 1 1 64 64 ALA H H 64 8.581 8.581 8.195 0.386 25376 2084 1 9 . 1 1 65 65 LYS N N 65 122.223 122.223 124.611 -2.388 25376 2085 1 9 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.112 -0.031 25376 2086 1 9 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.872 -1.817 25376 2087 1 9 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.740 -0.434 25376 2088 1 9 . 1 1 65 65 LYS H H 65 8.175 8.175 8.551 -0.376 25376 2089 1 9 . 1 1 66 66 CYS N N 66 117.296 117.296 117.853 -0.557 25376 2090 1 9 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.768 -0.076 25376 2091 1 9 . 1 1 66 66 CYS CA C 66 53.727 53.727 55.586 -1.859 25376 2092 1 9 . 1 1 66 66 CYS H H 66 8.790 8.790 8.298 0.492 25376 2093 1 9 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.634 -0.237 25376 2094 1 9 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.787 0.042 25376 2095 1 9 . 1 1 67 67 PRO CB C 67 31.785 31.785 32.346 -0.561 25376 2096 1 9 . 1 1 68 68 LYS N N 68 121.724 121.724 121.508 0.216 25376 2097 1 9 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.737 -0.452 25376 2098 1 9 . 1 1 68 68 LYS CA C 68 54.929 54.929 53.811 1.118 25376 2099 1 9 . 1 1 68 68 LYS CB C 68 33.327 33.327 35.351 -2.024 25376 2100 1 9 . 1 1 68 68 LYS H H 68 8.662 8.662 8.048 0.614 25376 2101 1 9 . 1 1 69 69 LEU N N 69 125.851 125.851 124.166 1.685 25376 2102 1 9 . 1 1 69 69 LEU HA H 69 4.474 4.474 4.984 -0.510 25376 2103 1 9 . 1 1 69 69 LEU CA C 69 54.454 54.454 53.529 0.925 25376 2104 1 9 . 1 1 69 69 LEU CB C 69 41.720 41.720 42.109 -0.389 25376 2105 1 9 . 1 1 69 69 LEU H H 69 8.320 8.320 8.567 -0.247 25376 2106 1 9 . 1 1 70 70 LEU N N 70 128.488 128.488 125.645 2.843 25376 2107 1 9 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.195 0.453 25376 2108 1 9 . 1 1 70 70 LEU CA C 70 53.127 53.127 54.880 -1.753 25376 2109 1 9 . 1 1 70 70 LEU CB C 70 42.832 42.832 41.555 1.277 25376 2110 1 9 . 1 1 70 70 LEU H H 70 8.677 8.677 7.849 0.828 25376 2111 1 9 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.364 -0.088 25376 2112 1 9 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.545 0.245 25376 2113 1 9 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.526 -0.066 25376 2114 1 9 . 1 1 72 72 CYS N N 72 112.135 112.135 115.446 -3.311 25376 2115 1 9 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.562 -0.288 25376 2116 1 9 . 1 1 72 72 CYS CA C 72 57.194 57.194 58.126 -0.932 25376 2117 1 9 . 1 1 72 72 CYS CB C 72 31.085 31.085 25.871 5.214 25376 2118 1 9 . 1 1 72 72 CYS H H 72 7.204 7.204 7.781 -0.577 25376 2119 1 9 . 1 1 73 73 LEU N N 73 114.341 114.341 116.672 -2.331 25376 2120 1 9 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.934 -0.066 25376 2121 1 9 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.294 1.206 25376 2122 1 9 . 1 1 73 73 LEU CB C 73 37.671 37.671 38.864 -1.193 25376 2123 1 9 . 1 1 73 73 LEU H H 73 8.043 8.043 7.420 0.623 25376 2124 1 9 . 1 1 74 74 HIS N N 74 120.386 120.386 116.649 3.737 25376 2125 1 9 . 1 1 74 74 HIS HA H 74 4.990 4.990 5.087 -0.097 25376 2126 1 9 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.207 4.465 25376 2127 1 9 . 1 1 74 74 HIS CB C 74 31.354 31.354 31.832 -0.478 25376 2128 1 9 . 1 1 74 74 HIS H H 74 7.831 7.831 7.499 0.332 25376 2129 1 9 . 1 1 75 75 THR N N 75 118.963 118.963 116.907 2.056 25376 2130 1 9 . 1 1 75 75 THR HA H 75 4.730 4.730 4.579 0.151 25376 2131 1 9 . 1 1 75 75 THR CA C 75 62.185 62.185 62.255 -0.070 25376 2132 1 9 . 1 1 75 75 THR CB C 75 69.640 69.640 69.638 0.002 25376 2133 1 9 . 1 1 75 75 THR H H 75 8.889 8.889 8.261 0.628 25376 2134 1 9 . 1 1 76 76 LEU N N 76 128.330 128.330 127.287 1.043 25376 2135 1 9 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.897 1.036 25376 2136 1 9 . 1 1 76 76 LEU CA C 76 51.509 51.509 52.938 -1.429 25376 2137 1 9 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.206 -1.012 25376 2138 1 9 . 1 1 76 76 LEU H H 76 8.767 8.767 8.029 0.738 25376 2139 1 9 . 1 1 77 77 CYS N N 77 119.360 119.360 116.717 2.643 25376 2140 1 9 . 1 1 77 77 CYS HA H 77 4.732 4.732 4.965 -0.233 25376 2141 1 9 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.363 0.507 25376 2142 1 9 . 1 1 77 77 CYS CB C 77 31.698 31.698 29.593 2.104 25376 2143 1 9 . 1 1 77 77 CYS H H 77 9.510 9.510 8.378 1.132 25376 2144 1 9 . 1 1 78 78 SER N N 78 114.841 114.841 117.879 -3.038 25376 2145 1 9 . 1 1 78 78 SER HA H 78 4.037 4.037 4.142 -0.105 25376 2146 1 9 . 1 1 78 78 SER CA C 78 61.756 61.756 61.811 -0.055 25376 2147 1 9 . 1 1 78 78 SER CB C 78 62.254 62.254 63.315 -1.061 25376 2148 1 9 . 1 1 78 78 SER H H 78 8.593 8.593 8.485 0.108 25376 2149 1 9 . 1 1 79 79 GLY N N 79 111.904 111.904 108.602 3.302 25376 2150 1 9 . 1 1 79 79 GLY CA C 79 46.777 46.777 47.009 -0.232 25376 2151 1 9 . 1 1 79 79 GLY H H 79 8.391 8.391 8.535 -0.144 25376 2152 1 9 . 1 1 80 80 CYS N N 80 126.807 126.807 120.129 6.678 25376 2153 1 9 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.486 -0.532 25376 2154 1 9 . 1 1 80 80 CYS CA C 80 65.189 65.189 61.479 3.710 25376 2155 1 9 . 1 1 80 80 CYS CB C 80 28.846 28.846 25.955 2.891 25376 2156 1 9 . 1 1 80 80 CYS H H 80 9.039 9.039 7.719 1.320 25376 2157 1 9 . 1 1 81 81 LEU N N 81 120.440 120.440 121.336 -0.896 25376 2158 1 9 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.036 0.096 25376 2159 1 9 . 1 1 81 81 LEU CA C 81 57.443 57.443 57.847 -0.404 25376 2160 1 9 . 1 1 81 81 LEU CB C 81 41.782 41.782 40.801 0.981 25376 2161 1 9 . 1 1 81 81 LEU H H 81 8.109 8.109 7.975 0.134 25376 2162 1 9 . 1 1 82 82 GLU N N 82 120.149 120.149 119.444 0.705 25376 2163 1 9 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.137 -0.100 25376 2164 1 9 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.217 0.102 25376 2165 1 9 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.919 -0.992 25376 2166 1 9 . 1 1 82 82 GLU H H 82 8.432 8.432 7.902 0.530 25376 2167 1 9 . 1 1 83 83 ALA N N 83 120.334 120.334 122.967 -2.633 25376 2168 1 9 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.226 0.073 25376 2169 1 9 . 1 1 83 83 ALA CA C 83 53.543 53.543 54.700 -1.157 25376 2170 1 9 . 1 1 83 83 ALA CB C 83 18.334 18.334 18.846 -0.512 25376 2171 1 9 . 1 1 83 83 ALA H H 83 7.715 7.715 8.250 -0.535 25376 2172 1 9 . 1 1 84 84 SER N N 84 112.368 112.368 113.951 -1.583 25376 2173 1 9 . 1 1 84 84 SER HA H 84 4.494 4.494 4.585 -0.091 25376 2174 1 9 . 1 1 84 84 SER CA C 84 58.210 58.210 57.741 0.469 25376 2175 1 9 . 1 1 84 84 SER CB C 84 63.837 63.837 63.412 0.425 25376 2176 1 9 . 1 1 84 84 SER H H 84 7.570 7.570 7.863 -0.293 25376 2177 1 9 . 1 1 85 85 GLY N N 85 110.612 110.612 110.028 0.584 25376 2178 1 9 . 1 1 85 85 GLY CA C 85 46.841 46.841 46.006 0.835 25376 2179 1 9 . 1 1 85 85 GLY H H 85 7.955 7.955 7.434 0.521 25376 2180 1 9 . 1 1 86 86 MET N N 86 113.856 113.856 112.762 1.094 25376 2181 1 9 . 1 1 86 86 MET HA H 86 3.804 3.804 3.953 -0.149 25376 2182 1 9 . 1 1 86 86 MET CA C 86 55.160 55.160 56.285 -1.125 25376 2183 1 9 . 1 1 86 86 MET CB C 86 28.494 28.494 29.609 -1.115 25376 2184 1 9 . 1 1 86 86 MET H H 86 8.489 8.489 8.165 0.324 25376 2185 1 9 . 1 1 87 87 GLN N N 87 116.394 116.394 118.128 -1.734 25376 2186 1 9 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.215 0.234 25376 2187 1 9 . 1 1 87 87 GLN CA C 87 53.404 53.404 57.403 -3.998 25376 2188 1 9 . 1 1 87 87 GLN CB C 87 30.964 30.964 29.772 1.192 25376 2189 1 9 . 1 1 87 87 GLN H H 87 7.188 7.188 7.828 -0.640 25376 2190 1 9 . 1 1 88 88 CYS N N 88 124.484 124.484 119.242 5.242 25376 2191 1 9 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.807 -0.507 25376 2192 1 9 . 1 1 88 88 CYS CA C 88 57.101 57.101 56.804 0.297 25376 2193 1 9 . 1 1 88 88 CYS CB C 88 31.117 31.117 26.547 4.570 25376 2194 1 9 . 1 1 88 88 CYS H H 88 8.616 8.616 8.547 0.069 25376 2195 1 9 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.333 0.176 25376 2196 1 9 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.938 -1.223 25376 2197 1 9 . 1 1 89 89 PRO CB C 89 31.717 31.717 31.990 -0.273 25376 2198 1 9 . 1 1 90 90 ILE N N 90 123.484 123.484 118.989 4.495 25376 2199 1 9 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.783 0.000 25376 2200 1 9 . 1 1 90 90 ILE CA C 90 62.878 62.878 61.430 1.448 25376 2201 1 9 . 1 1 90 90 ILE CB C 90 37.483 37.483 35.816 1.667 25376 2202 1 9 . 1 1 90 90 ILE H H 90 8.908 8.908 7.943 0.965 25376 2203 1 9 . 1 1 91 91 CYS N N 91 120.890 120.890 116.362 4.528 25376 2204 1 9 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.261 0.256 25376 2205 1 9 . 1 1 91 91 CYS CA C 91 60.891 60.891 60.327 0.564 25376 2206 1 9 . 1 1 91 91 CYS CB C 91 31.244 31.244 26.504 4.740 25376 2207 1 9 . 1 1 91 91 CYS H H 91 8.587 8.587 8.099 0.488 25376 2208 1 9 . 1 1 92 92 GLN N N 92 116.563 116.563 117.389 -0.826 25376 2209 1 9 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.441 -0.309 25376 2210 1 9 . 1 1 92 92 GLN CA C 92 56.824 56.824 56.074 0.750 25376 2211 1 9 . 1 1 92 92 GLN CB C 92 27.216 27.216 30.071 -2.855 25376 2212 1 9 . 1 1 92 92 GLN H H 92 7.787 7.787 7.660 0.127 25376 2213 1 9 . 1 1 93 93 ALA N N 93 125.273 125.273 123.265 2.008 25376 2214 1 9 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.493 0.068 25376 2215 1 9 . 1 1 93 93 ALA CA C 93 50.862 50.862 50.471 0.391 25376 2216 1 9 . 1 1 93 93 ALA CB C 93 18.415 18.415 18.803 -0.388 25376 2217 1 9 . 1 1 93 93 ALA H H 93 8.031 8.031 7.045 0.986 25376 2218 1 9 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.389 0.149 25376 2219 1 9 . 1 1 94 94 PRO CA C 94 62.513 62.513 63.139 -0.626 25376 2220 1 9 . 1 1 94 94 PRO CB C 94 31.684 31.684 32.208 -0.524 25376 2221 1 9 . 1 1 95 95 TRP N N 95 121.986 121.986 122.068 -0.082 25376 2222 1 9 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.454 0.588 25376 2223 1 9 . 1 1 95 95 TRP CA C 95 54.005 54.005 54.845 -0.840 25376 2224 1 9 . 1 1 95 95 TRP CB C 95 28.846 28.846 29.130 -0.284 25376 2225 1 9 . 1 1 95 95 TRP H H 95 8.012 8.012 7.719 0.293 25376 2226 1 9 . 1 1 96 96 PRO HA H 96 4.490 4.490 4.341 0.149 25376 2227 1 9 . 1 1 96 96 PRO CA C 96 62.900 62.900 62.306 0.594 25376 2228 1 9 . 1 1 96 96 PRO CB C 96 31.550 31.550 31.903 -0.353 25376 2229 1 9 . 1 1 97 97 LEU N N 97 122.075 122.075 115.984 6.091 25376 2230 1 9 . 1 1 97 97 LEU HA H 97 4.299 4.299 5.008 -0.709 25376 2231 1 9 . 1 1 97 97 LEU CA C 97 55.206 55.206 53.953 1.253 25376 2232 1 9 . 1 1 97 97 LEU CB C 97 42.046 42.046 43.279 -1.232 25376 2233 1 9 . 1 1 97 97 LEU H H 97 8.224 8.224 8.048 0.176 25376 2234 1 9 . 1 1 98 98 GLY N N 98 110.020 110.020 107.101 2.919 25376 2235 1 9 . 1 1 98 98 GLY CA C 98 45.085 45.085 45.669 -0.584 25376 2236 1 9 . 1 1 98 98 GLY H H 98 8.444 8.444 8.351 0.093 25376 2237 1 9 . 1 1 99 99 ALA N N 99 123.511 123.511 121.496 2.015 25376 2238 1 9 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.673 -0.374 25376 2239 1 9 . 1 1 99 99 ALA CA C 99 52.249 52.249 51.788 0.461 25376 2240 1 9 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.405 -0.469 25376 2241 1 9 . 1 1 99 99 ALA H H 99 8.176 8.176 8.126 0.050 25376 2242 1 9 . 1 1 100 100 ASP N N 100 119.098 119.098 122.165 -3.067 25376 2243 1 9 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.531 0.030 25376 2244 1 9 . 1 1 100 100 ASP CA C 100 53.912 53.912 55.392 -1.480 25376 2245 1 9 . 1 1 100 100 ASP CB C 100 40.580 40.580 41.140 -0.560 25376 2246 1 9 . 1 1 100 100 ASP H H 100 8.383 8.383 7.997 0.386 25376 2247 1 9 . 1 1 101 101 THR N N 101 116.696 116.696 116.808 -0.112 25376 2248 1 9 . 1 1 101 101 THR HA H 101 4.517 4.517 4.491 0.026 25376 2249 1 9 . 1 1 101 101 THR CA C 101 59.551 59.551 60.070 -0.519 25376 2250 1 9 . 1 1 101 101 THR CB C 101 69.589 69.589 68.845 0.744 25376 2251 1 9 . 1 1 101 101 THR H H 101 8.017 8.017 7.952 0.065 25376 2252 1 9 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.399 -0.063 25376 2253 1 9 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.520 0.363 25376 2254 1 9 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.437 -0.670 25376 2255 1 9 . 1 1 103 103 ALA N N 103 125.184 125.184 122.430 2.754 25376 2256 1 9 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.405 -0.120 25376 2257 1 9 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.626 0.391 25376 2258 1 9 . 1 1 103 103 ALA CB C 103 18.974 18.974 19.689 -0.715 25376 2259 1 9 . 1 1 103 103 ALA H H 103 8.333 8.333 8.206 0.127 25376 2260 1 10 . 1 1 50 50 GLU N N 50 120.583 120.583 121.349 -0.766 25376 2261 1 10 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.474 -0.306 25376 2262 1 10 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.000 0.824 25376 2263 1 10 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.702 -0.984 25376 2264 1 10 . 1 1 50 50 GLU H H 50 8.300 8.300 8.417 -0.117 25376 2265 1 10 . 1 1 51 51 GLU N N 51 121.142 121.142 119.793 1.349 25376 2266 1 10 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.059 0.065 25376 2267 1 10 . 1 1 51 51 GLU CA C 51 56.362 56.362 56.366 -0.004 25376 2268 1 10 . 1 1 51 51 GLU CB C 51 29.727 29.727 30.028 -0.301 25376 2269 1 10 . 1 1 51 51 GLU H H 51 8.140 8.140 8.220 -0.080 25376 2270 1 10 . 1 1 52 52 PHE N N 52 120.500 120.500 118.686 1.814 25376 2271 1 10 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.462 0.053 25376 2272 1 10 . 1 1 52 52 PHE CA C 52 57.409 57.409 57.591 -0.182 25376 2273 1 10 . 1 1 52 52 PHE CB C 52 39.326 39.326 39.387 -0.061 25376 2274 1 10 . 1 1 52 52 PHE H H 52 8.106 8.106 7.654 0.452 25376 2275 1 10 . 1 1 53 53 GLN N N 53 121.616 121.616 120.144 1.472 25376 2276 1 10 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.598 -0.386 25376 2277 1 10 . 1 1 53 53 GLN CA C 53 55.345 55.345 55.394 -0.049 25376 2278 1 10 . 1 1 53 53 GLN CB C 53 29.357 29.357 27.231 2.126 25376 2279 1 10 . 1 1 53 53 GLN H H 53 8.047 8.047 8.850 -0.803 25376 2280 1 10 . 1 1 54 54 PHE N N 54 120.217 120.217 120.942 -0.725 25376 2281 1 10 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.754 -0.106 25376 2282 1 10 . 1 1 54 54 PHE CA C 54 56.824 56.824 57.835 -1.011 25376 2283 1 10 . 1 1 54 54 PHE CB C 54 39.522 39.522 42.484 -2.962 25376 2284 1 10 . 1 1 54 54 PHE H H 54 7.956 7.956 7.979 -0.023 25376 2285 1 10 . 1 1 55 55 LEU N N 55 123.391 123.391 121.760 1.631 25376 2286 1 10 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.553 -0.167 25376 2287 1 10 . 1 1 55 55 LEU CA C 55 54.421 54.421 54.490 -0.069 25376 2288 1 10 . 1 1 55 55 LEU CB C 55 43.024 43.024 43.534 -0.510 25376 2289 1 10 . 1 1 55 55 LEU H H 55 8.567 8.567 8.827 -0.260 25376 2290 1 10 . 1 1 56 56 ARG N N 56 120.442 120.442 119.725 0.717 25376 2291 1 10 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.743 -0.174 25376 2292 1 10 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.946 -0.393 25376 2293 1 10 . 1 1 56 56 ARG CB C 56 31.817 31.817 31.518 0.299 25376 2294 1 10 . 1 1 56 56 ARG H H 56 8.101 8.101 8.330 -0.229 25376 2295 1 10 . 1 1 57 57 CYS N N 57 123.891 123.891 127.692 -3.801 25376 2296 1 10 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.363 -0.410 25376 2297 1 10 . 1 1 57 57 CYS CA C 57 59.135 59.135 59.827 -0.692 25376 2298 1 10 . 1 1 57 57 CYS CB C 57 31.290 31.290 28.315 2.975 25376 2299 1 10 . 1 1 57 57 CYS H H 57 8.828 8.828 8.492 0.336 25376 2300 1 10 . 1 1 58 58 GLN N N 58 128.172 128.172 127.264 0.908 25376 2301 1 10 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.106 0.015 25376 2302 1 10 . 1 1 58 58 GLN CA C 58 58.528 58.528 57.483 1.045 25376 2303 1 10 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.493 1.457 25376 2304 1 10 . 1 1 58 58 GLN H H 58 9.222 9.222 8.516 0.706 25376 2305 1 10 . 1 1 59 59 GLN N N 59 121.709 121.709 115.324 6.385 25376 2306 1 10 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.351 0.238 25376 2307 1 10 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.594 0.015 25376 2308 1 10 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.294 0.422 25376 2309 1 10 . 1 1 59 59 GLN H H 59 9.200 9.200 7.590 1.610 25376 2310 1 10 . 1 1 60 60 CYS N N 60 119.482 119.482 117.557 1.925 25376 2311 1 10 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.753 0.041 25376 2312 1 10 . 1 1 60 60 CYS CA C 60 59.458 59.458 58.900 0.558 25376 2313 1 10 . 1 1 60 60 CYS CB C 60 32.179 32.179 27.757 4.422 25376 2314 1 10 . 1 1 60 60 CYS H H 60 8.566 8.566 7.928 0.638 25376 2315 1 10 . 1 1 61 61 GLN N N 61 115.153 115.153 116.022 -0.869 25376 2316 1 10 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.981 0.172 25376 2317 1 10 . 1 1 61 61 GLN CA C 61 57.979 57.979 56.872 1.107 25376 2318 1 10 . 1 1 61 61 GLN CB C 61 25.342 25.342 25.506 -0.164 25376 2319 1 10 . 1 1 61 61 GLN H H 61 7.672 7.672 8.283 -0.611 25376 2320 1 10 . 1 1 62 62 ALA N N 62 124.669 124.669 119.216 5.453 25376 2321 1 10 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.679 -0.242 25376 2322 1 10 . 1 1 62 62 ALA CA C 62 52.064 52.064 50.404 1.660 25376 2323 1 10 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.861 -1.039 25376 2324 1 10 . 1 1 62 62 ALA H H 62 8.728 8.728 7.517 1.211 25376 2325 1 10 . 1 1 63 63 GLU N N 63 119.649 119.649 120.153 -0.504 25376 2326 1 10 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.235 -0.198 25376 2327 1 10 . 1 1 63 63 GLU CA C 63 57.332 57.332 56.766 0.566 25376 2328 1 10 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.773 -0.511 25376 2329 1 10 . 1 1 63 63 GLU H H 63 8.523 8.523 8.446 0.077 25376 2330 1 10 . 1 1 64 64 ALA N N 64 128.762 128.762 128.929 -0.167 25376 2331 1 10 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.691 -0.305 25376 2332 1 10 . 1 1 64 64 ALA CA C 64 50.354 50.354 50.743 -0.389 25376 2333 1 10 . 1 1 64 64 ALA CB C 64 18.335 18.335 20.240 -1.905 25376 2334 1 10 . 1 1 64 64 ALA H H 64 8.581 8.581 8.133 0.448 25376 2335 1 10 . 1 1 65 65 LYS N N 65 122.223 122.223 124.800 -2.577 25376 2336 1 10 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.283 -0.202 25376 2337 1 10 . 1 1 65 65 LYS CA C 65 57.055 57.055 59.077 -2.022 25376 2338 1 10 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.837 -0.531 25376 2339 1 10 . 1 1 65 65 LYS H H 65 8.175 8.175 8.697 -0.522 25376 2340 1 10 . 1 1 66 66 CYS N N 66 117.296 117.296 118.644 -1.348 25376 2341 1 10 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.786 -0.094 25376 2342 1 10 . 1 1 66 66 CYS CA C 66 53.727 53.727 56.391 -2.664 25376 2343 1 10 . 1 1 66 66 CYS H H 66 8.790 8.790 8.191 0.599 25376 2344 1 10 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.680 -0.283 25376 2345 1 10 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.656 0.173 25376 2346 1 10 . 1 1 67 67 PRO CB C 67 31.785 31.785 32.394 -0.609 25376 2347 1 10 . 1 1 68 68 LYS N N 68 121.724 121.724 120.228 1.496 25376 2348 1 10 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.685 -0.400 25376 2349 1 10 . 1 1 68 68 LYS CA C 68 54.929 54.929 53.907 1.022 25376 2350 1 10 . 1 1 68 68 LYS CB C 68 33.327 33.327 35.977 -2.650 25376 2351 1 10 . 1 1 68 68 LYS H H 68 8.662 8.662 8.276 0.386 25376 2352 1 10 . 1 1 69 69 LEU N N 69 125.851 125.851 123.665 2.186 25376 2353 1 10 . 1 1 69 69 LEU HA H 69 4.474 4.474 5.050 -0.576 25376 2354 1 10 . 1 1 69 69 LEU CA C 69 54.454 54.454 53.486 0.968 25376 2355 1 10 . 1 1 69 69 LEU CB C 69 41.720 41.720 41.603 0.117 25376 2356 1 10 . 1 1 69 69 LEU H H 69 8.320 8.320 8.558 -0.238 25376 2357 1 10 . 1 1 70 70 LEU N N 70 128.488 128.488 125.124 3.364 25376 2358 1 10 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.172 0.476 25376 2359 1 10 . 1 1 70 70 LEU CA C 70 53.127 53.127 54.806 -1.679 25376 2360 1 10 . 1 1 70 70 LEU CB C 70 42.832 42.832 41.584 1.248 25376 2361 1 10 . 1 1 70 70 LEU H H 70 8.677 8.677 7.799 0.878 25376 2362 1 10 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.360 -0.084 25376 2363 1 10 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.533 0.257 25376 2364 1 10 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.501 -0.041 25376 2365 1 10 . 1 1 72 72 CYS N N 72 112.135 112.135 115.300 -3.165 25376 2366 1 10 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.603 -0.329 25376 2367 1 10 . 1 1 72 72 CYS CA C 72 57.194 57.194 58.058 -0.864 25376 2368 1 10 . 1 1 72 72 CYS CB C 72 31.085 31.085 25.805 5.280 25376 2369 1 10 . 1 1 72 72 CYS H H 72 7.204 7.204 7.741 -0.537 25376 2370 1 10 . 1 1 73 73 LEU N N 73 114.341 114.341 116.687 -2.346 25376 2371 1 10 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.941 -0.073 25376 2372 1 10 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.301 1.199 25376 2373 1 10 . 1 1 73 73 LEU CB C 73 37.671 37.671 39.051 -1.380 25376 2374 1 10 . 1 1 73 73 LEU H H 73 8.043 8.043 7.467 0.576 25376 2375 1 10 . 1 1 74 74 HIS N N 74 120.386 120.386 115.972 4.414 25376 2376 1 10 . 1 1 74 74 HIS HA H 74 4.990 4.990 4.525 0.465 25376 2377 1 10 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.332 4.340 25376 2378 1 10 . 1 1 74 74 HIS CB C 74 31.354 31.354 31.497 -0.143 25376 2379 1 10 . 1 1 74 74 HIS H H 74 7.831 7.831 7.284 0.547 25376 2380 1 10 . 1 1 75 75 THR N N 75 118.963 118.963 117.348 1.615 25376 2381 1 10 . 1 1 75 75 THR HA H 75 4.730 4.730 4.808 -0.078 25376 2382 1 10 . 1 1 75 75 THR CA C 75 62.185 62.185 61.927 0.258 25376 2383 1 10 . 1 1 75 75 THR CB C 75 69.640 69.640 69.745 -0.105 25376 2384 1 10 . 1 1 75 75 THR H H 75 8.889 8.889 8.277 0.612 25376 2385 1 10 . 1 1 76 76 LEU N N 76 128.330 128.330 127.067 1.263 25376 2386 1 10 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.968 0.965 25376 2387 1 10 . 1 1 76 76 LEU CA C 76 51.509 51.509 52.951 -1.442 25376 2388 1 10 . 1 1 76 76 LEU CB C 76 46.194 46.194 46.719 -0.525 25376 2389 1 10 . 1 1 76 76 LEU H H 76 8.767 8.767 8.031 0.736 25376 2390 1 10 . 1 1 77 77 CYS N N 77 119.360 119.360 116.637 2.723 25376 2391 1 10 . 1 1 77 77 CYS HA H 77 4.732 4.732 4.979 -0.247 25376 2392 1 10 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.221 0.648 25376 2393 1 10 . 1 1 77 77 CYS CB C 77 31.698 31.698 29.308 2.390 25376 2394 1 10 . 1 1 77 77 CYS H H 77 9.510 9.510 8.300 1.210 25376 2395 1 10 . 1 1 78 78 SER N N 78 114.841 114.841 117.362 -2.521 25376 2396 1 10 . 1 1 78 78 SER HA H 78 4.037 4.037 4.182 -0.145 25376 2397 1 10 . 1 1 78 78 SER CA C 78 61.756 61.756 61.278 0.478 25376 2398 1 10 . 1 1 78 78 SER CB C 78 62.254 62.254 63.353 -1.099 25376 2399 1 10 . 1 1 78 78 SER H H 78 8.593 8.593 8.424 0.169 25376 2400 1 10 . 1 1 79 79 GLY N N 79 111.904 111.904 108.666 3.238 25376 2401 1 10 . 1 1 79 79 GLY CA C 79 46.777 46.777 46.791 -0.014 25376 2402 1 10 . 1 1 79 79 GLY H H 79 8.391 8.391 8.489 -0.098 25376 2403 1 10 . 1 1 80 80 CYS N N 80 126.807 126.807 120.133 6.674 25376 2404 1 10 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.486 -0.532 25376 2405 1 10 . 1 1 80 80 CYS CA C 80 65.189 65.189 61.480 3.709 25376 2406 1 10 . 1 1 80 80 CYS CB C 80 28.846 28.846 25.977 2.869 25376 2407 1 10 . 1 1 80 80 CYS H H 80 9.039 9.039 7.724 1.315 25376 2408 1 10 . 1 1 81 81 LEU N N 81 120.440 120.440 121.303 -0.863 25376 2409 1 10 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.087 0.045 25376 2410 1 10 . 1 1 81 81 LEU CA C 81 57.443 57.443 57.909 -0.466 25376 2411 1 10 . 1 1 81 81 LEU CB C 81 41.782 41.782 40.828 0.954 25376 2412 1 10 . 1 1 81 81 LEU H H 81 8.109 8.109 8.058 0.051 25376 2413 1 10 . 1 1 82 82 GLU N N 82 120.149 120.149 119.489 0.660 25376 2414 1 10 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.131 -0.094 25376 2415 1 10 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.215 0.104 25376 2416 1 10 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.968 -1.041 25376 2417 1 10 . 1 1 82 82 GLU H H 82 8.432 8.432 7.927 0.505 25376 2418 1 10 . 1 1 83 83 ALA N N 83 120.334 120.334 123.194 -2.860 25376 2419 1 10 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.202 0.097 25376 2420 1 10 . 1 1 83 83 ALA CA C 83 53.543 53.543 54.752 -1.209 25376 2421 1 10 . 1 1 83 83 ALA CB C 83 18.334 18.334 18.771 -0.438 25376 2422 1 10 . 1 1 83 83 ALA H H 83 7.715 7.715 8.299 -0.584 25376 2423 1 10 . 1 1 84 84 SER N N 84 112.368 112.368 113.679 -1.311 25376 2424 1 10 . 1 1 84 84 SER HA H 84 4.494 4.494 4.492 0.002 25376 2425 1 10 . 1 1 84 84 SER CA C 84 58.210 58.210 57.453 0.757 25376 2426 1 10 . 1 1 84 84 SER CB C 84 63.837 63.837 63.147 0.690 25376 2427 1 10 . 1 1 84 84 SER H H 84 7.570 7.570 7.817 -0.247 25376 2428 1 10 . 1 1 85 85 GLY N N 85 110.612 110.612 110.173 0.439 25376 2429 1 10 . 1 1 85 85 GLY CA C 85 46.841 46.841 45.999 0.842 25376 2430 1 10 . 1 1 85 85 GLY H H 85 7.955 7.955 7.506 0.449 25376 2431 1 10 . 1 1 86 86 MET N N 86 113.856 113.856 112.629 1.227 25376 2432 1 10 . 1 1 86 86 MET HA H 86 3.804 3.804 3.918 -0.114 25376 2433 1 10 . 1 1 86 86 MET CA C 86 55.160 55.160 56.192 -1.032 25376 2434 1 10 . 1 1 86 86 MET CB C 86 28.494 28.494 29.681 -1.187 25376 2435 1 10 . 1 1 86 86 MET H H 86 8.489 8.489 8.121 0.368 25376 2436 1 10 . 1 1 87 87 GLN N N 87 116.394 116.394 118.115 -1.721 25376 2437 1 10 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.189 0.260 25376 2438 1 10 . 1 1 87 87 GLN CA C 87 53.404 53.404 57.364 -3.960 25376 2439 1 10 . 1 1 87 87 GLN CB C 87 30.964 30.964 29.723 1.241 25376 2440 1 10 . 1 1 87 87 GLN H H 87 7.188 7.188 7.863 -0.675 25376 2441 1 10 . 1 1 88 88 CYS N N 88 124.484 124.484 119.319 5.165 25376 2442 1 10 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.829 -0.529 25376 2443 1 10 . 1 1 88 88 CYS CA C 88 57.101 57.101 56.453 0.648 25376 2444 1 10 . 1 1 88 88 CYS CB C 88 31.117 31.117 26.178 4.939 25376 2445 1 10 . 1 1 88 88 CYS H H 88 8.616 8.616 8.566 0.050 25376 2446 1 10 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.319 0.190 25376 2447 1 10 . 1 1 89 89 PRO CA C 89 63.715 63.715 65.074 -1.359 25376 2448 1 10 . 1 1 89 89 PRO CB C 89 31.717 31.717 31.962 -0.245 25376 2449 1 10 . 1 1 90 90 ILE N N 90 123.484 123.484 116.793 6.691 25376 2450 1 10 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.733 0.050 25376 2451 1 10 . 1 1 90 90 ILE CA C 90 62.878 62.878 60.694 2.184 25376 2452 1 10 . 1 1 90 90 ILE CB C 90 37.483 37.483 35.506 1.977 25376 2453 1 10 . 1 1 90 90 ILE H H 90 8.908 8.908 7.906 1.002 25376 2454 1 10 . 1 1 91 91 CYS N N 91 120.890 120.890 118.062 2.828 25376 2455 1 10 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.223 0.294 25376 2456 1 10 . 1 1 91 91 CYS CA C 91 60.891 60.891 60.717 0.174 25376 2457 1 10 . 1 1 91 91 CYS CB C 91 31.244 31.244 25.880 5.364 25376 2458 1 10 . 1 1 91 91 CYS H H 91 8.587 8.587 7.590 0.997 25376 2459 1 10 . 1 1 92 92 GLN N N 92 116.563 116.563 119.351 -2.788 25376 2460 1 10 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.286 -0.154 25376 2461 1 10 . 1 1 92 92 GLN CA C 92 56.824 56.824 56.800 0.024 25376 2462 1 10 . 1 1 92 92 GLN CB C 92 27.216 27.216 28.989 -1.773 25376 2463 1 10 . 1 1 92 92 GLN H H 92 7.787 7.787 7.847 -0.060 25376 2464 1 10 . 1 1 93 93 ALA N N 93 125.273 125.273 122.840 2.433 25376 2465 1 10 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.801 -0.240 25376 2466 1 10 . 1 1 93 93 ALA CA C 93 50.862 50.862 49.186 1.676 25376 2467 1 10 . 1 1 93 93 ALA CB C 93 18.415 18.415 19.655 -1.240 25376 2468 1 10 . 1 1 93 93 ALA H H 93 8.031 8.031 7.454 0.578 25376 2469 1 10 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.668 -0.130 25376 2470 1 10 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.626 -0.113 25376 2471 1 10 . 1 1 94 94 PRO CB C 94 31.684 31.684 29.688 1.996 25376 2472 1 10 . 1 1 95 95 TRP N N 95 121.986 121.986 124.772 -2.786 25376 2473 1 10 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.548 0.494 25376 2474 1 10 . 1 1 95 95 TRP CA C 95 54.005 54.005 55.309 -1.304 25376 2475 1 10 . 1 1 95 95 TRP CB C 95 28.846 28.846 28.617 0.229 25376 2476 1 10 . 1 1 95 95 TRP H H 95 8.012 8.012 8.452 -0.440 25376 2477 1 10 . 1 1 96 96 PRO HA H 96 4.490 4.490 4.125 0.365 25376 2478 1 10 . 1 1 96 96 PRO CA C 96 62.900 62.900 62.572 0.328 25376 2479 1 10 . 1 1 96 96 PRO CB C 96 31.550 31.550 31.854 -0.304 25376 2480 1 10 . 1 1 97 97 LEU N N 97 122.075 122.075 123.225 -1.150 25376 2481 1 10 . 1 1 97 97 LEU HA H 97 4.299 4.299 3.848 0.451 25376 2482 1 10 . 1 1 97 97 LEU CA C 97 55.206 55.206 55.259 -0.053 25376 2483 1 10 . 1 1 97 97 LEU CB C 97 42.046 42.046 42.362 -0.316 25376 2484 1 10 . 1 1 97 97 LEU H H 97 8.224 8.224 7.962 0.262 25376 2485 1 10 . 1 1 98 98 GLY N N 98 110.020 110.020 107.849 2.171 25376 2486 1 10 . 1 1 98 98 GLY CA C 98 45.085 45.085 44.744 0.341 25376 2487 1 10 . 1 1 98 98 GLY H H 98 8.444 8.444 8.966 -0.522 25376 2488 1 10 . 1 1 99 99 ALA N N 99 123.511 123.511 124.881 -1.370 25376 2489 1 10 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.696 -0.397 25376 2490 1 10 . 1 1 99 99 ALA CA C 99 52.249 52.249 51.665 0.584 25376 2491 1 10 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.883 -0.947 25376 2492 1 10 . 1 1 99 99 ALA H H 99 8.176 8.176 7.900 0.276 25376 2493 1 10 . 1 1 100 100 ASP N N 100 119.098 119.098 123.983 -4.885 25376 2494 1 10 . 1 1 100 100 ASP HA H 100 4.561 4.561 5.073 -0.512 25376 2495 1 10 . 1 1 100 100 ASP CA C 100 53.912 53.912 54.641 -0.729 25376 2496 1 10 . 1 1 100 100 ASP CB C 100 40.580 40.580 43.590 -3.010 25376 2497 1 10 . 1 1 100 100 ASP H H 100 8.383 8.383 8.645 -0.262 25376 2498 1 10 . 1 1 101 101 THR N N 101 116.696 116.696 116.044 0.652 25376 2499 1 10 . 1 1 101 101 THR HA H 101 4.517 4.517 4.851 -0.334 25376 2500 1 10 . 1 1 101 101 THR CA C 101 59.551 59.551 59.639 -0.088 25376 2501 1 10 . 1 1 101 101 THR CB C 101 69.589 69.589 70.214 -0.625 25376 2502 1 10 . 1 1 101 101 THR H H 101 8.017 8.017 8.101 -0.084 25376 2503 1 10 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.446 -0.110 25376 2504 1 10 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.437 0.447 25376 2505 1 10 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.524 -0.757 25376 2506 1 10 . 1 1 103 103 ALA N N 103 125.184 125.184 121.657 3.527 25376 2507 1 10 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.362 -0.077 25376 2508 1 10 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.045 0.972 25376 2509 1 10 . 1 1 103 103 ALA CB C 103 18.974 18.974 19.575 -0.601 25376 2510 1 10 . 1 1 103 103 ALA H H 103 8.333 8.333 8.109 0.224 25376 2511 1 11 . 1 1 50 50 GLU N N 50 120.583 120.583 123.419 -2.836 25376 2512 1 11 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.691 -0.523 25376 2513 1 11 . 1 1 50 50 GLU CA C 50 56.824 56.824 55.694 1.130 25376 2514 1 11 . 1 1 50 50 GLU CB C 50 29.718 29.718 31.363 -1.645 25376 2515 1 11 . 1 1 50 50 GLU H H 50 8.300 8.300 8.543 -0.243 25376 2516 1 11 . 1 1 51 51 GLU N N 51 121.142 121.142 120.034 1.108 25376 2517 1 11 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.784 -0.660 25376 2518 1 11 . 1 1 51 51 GLU CA C 51 56.362 56.362 55.592 0.770 25376 2519 1 11 . 1 1 51 51 GLU CB C 51 29.727 29.727 30.614 -0.887 25376 2520 1 11 . 1 1 51 51 GLU H H 51 8.140 8.140 8.486 -0.346 25376 2521 1 11 . 1 1 52 52 PHE N N 52 120.500 120.500 122.187 -1.687 25376 2522 1 11 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.646 -0.131 25376 2523 1 11 . 1 1 52 52 PHE CA C 52 57.409 57.409 57.395 0.014 25376 2524 1 11 . 1 1 52 52 PHE CB C 52 39.326 39.326 39.611 -0.285 25376 2525 1 11 . 1 1 52 52 PHE H H 52 8.106 8.106 8.426 -0.320 25376 2526 1 11 . 1 1 53 53 GLN N N 53 121.616 121.616 125.527 -3.911 25376 2527 1 11 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.531 -0.319 25376 2528 1 11 . 1 1 53 53 GLN CA C 53 55.345 55.345 54.770 0.575 25376 2529 1 11 . 1 1 53 53 GLN CB C 53 29.357 29.357 27.555 1.802 25376 2530 1 11 . 1 1 53 53 GLN H H 53 8.047 8.047 8.944 -0.897 25376 2531 1 11 . 1 1 54 54 PHE N N 54 120.217 120.217 119.261 0.956 25376 2532 1 11 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.774 -0.126 25376 2533 1 11 . 1 1 54 54 PHE CA C 54 56.824 56.824 57.462 -0.638 25376 2534 1 11 . 1 1 54 54 PHE CB C 54 39.522 39.522 42.412 -2.890 25376 2535 1 11 . 1 1 54 54 PHE H H 54 7.956 7.956 7.757 0.199 25376 2536 1 11 . 1 1 55 55 LEU N N 55 123.391 123.391 121.059 2.332 25376 2537 1 11 . 1 1 55 55 LEU HA H 55 4.386 4.386 5.007 -0.621 25376 2538 1 11 . 1 1 55 55 LEU CA C 55 54.421 54.421 53.750 0.671 25376 2539 1 11 . 1 1 55 55 LEU CB C 55 43.024 43.024 43.644 -0.620 25376 2540 1 11 . 1 1 55 55 LEU H H 55 8.567 8.567 9.034 -0.467 25376 2541 1 11 . 1 1 56 56 ARG N N 56 120.442 120.442 119.677 0.765 25376 2542 1 11 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.762 -0.193 25376 2543 1 11 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.902 -0.349 25376 2544 1 11 . 1 1 56 56 ARG CB C 56 31.817 31.817 31.665 0.152 25376 2545 1 11 . 1 1 56 56 ARG H H 56 8.101 8.101 8.321 -0.220 25376 2546 1 11 . 1 1 57 57 CYS N N 57 123.891 123.891 127.462 -3.571 25376 2547 1 11 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.280 -0.327 25376 2548 1 11 . 1 1 57 57 CYS CA C 57 59.135 59.135 59.876 -0.741 25376 2549 1 11 . 1 1 57 57 CYS CB C 57 31.290 31.290 28.483 2.807 25376 2550 1 11 . 1 1 57 57 CYS H H 57 8.828 8.828 8.541 0.287 25376 2551 1 11 . 1 1 58 58 GLN N N 58 128.172 128.172 127.167 1.005 25376 2552 1 11 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.163 -0.042 25376 2553 1 11 . 1 1 58 58 GLN CA C 58 58.528 58.528 57.374 1.154 25376 2554 1 11 . 1 1 58 58 GLN CB C 58 29.950 29.950 27.910 2.040 25376 2555 1 11 . 1 1 58 58 GLN H H 58 9.222 9.222 8.465 0.757 25376 2556 1 11 . 1 1 59 59 GLN N N 59 121.709 121.709 115.206 6.503 25376 2557 1 11 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.367 0.222 25376 2558 1 11 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.546 0.063 25376 2559 1 11 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.214 0.503 25376 2560 1 11 . 1 1 59 59 GLN H H 59 9.200 9.200 7.588 1.612 25376 2561 1 11 . 1 1 60 60 CYS N N 60 119.482 119.482 117.420 2.062 25376 2562 1 11 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.712 0.082 25376 2563 1 11 . 1 1 60 60 CYS CA C 60 59.458 59.458 59.364 0.094 25376 2564 1 11 . 1 1 60 60 CYS CB C 60 32.179 32.179 27.819 4.360 25376 2565 1 11 . 1 1 60 60 CYS H H 60 8.566 8.566 7.636 0.930 25376 2566 1 11 . 1 1 61 61 GLN N N 61 115.153 115.153 115.219 -0.066 25376 2567 1 11 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.954 0.199 25376 2568 1 11 . 1 1 61 61 GLN CA C 61 57.979 57.979 56.959 1.020 25376 2569 1 11 . 1 1 61 61 GLN CB C 61 25.342 25.342 25.636 -0.294 25376 2570 1 11 . 1 1 61 61 GLN H H 61 7.672 7.672 8.510 -0.838 25376 2571 1 11 . 1 1 62 62 ALA N N 62 124.669 124.669 119.239 5.430 25376 2572 1 11 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.631 -0.194 25376 2573 1 11 . 1 1 62 62 ALA CA C 62 52.064 52.064 51.171 0.893 25376 2574 1 11 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.541 -0.719 25376 2575 1 11 . 1 1 62 62 ALA H H 62 8.728 8.728 7.614 1.114 25376 2576 1 11 . 1 1 63 63 GLU N N 63 119.649 119.649 118.925 0.724 25376 2577 1 11 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.233 -0.196 25376 2578 1 11 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.142 0.190 25376 2579 1 11 . 1 1 63 63 GLU CB C 63 29.262 29.262 30.082 -0.820 25376 2580 1 11 . 1 1 63 63 GLU H H 63 8.523 8.523 8.497 0.026 25376 2581 1 11 . 1 1 64 64 ALA N N 64 128.762 128.762 128.904 -0.142 25376 2582 1 11 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.712 -0.326 25376 2583 1 11 . 1 1 64 64 ALA CA C 64 50.354 50.354 50.887 -0.533 25376 2584 1 11 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.770 -1.435 25376 2585 1 11 . 1 1 64 64 ALA H H 64 8.581 8.581 8.461 0.120 25376 2586 1 11 . 1 1 65 65 LYS N N 65 122.223 122.223 124.122 -1.899 25376 2587 1 11 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.312 -0.231 25376 2588 1 11 . 1 1 65 65 LYS CA C 65 57.055 57.055 59.357 -2.302 25376 2589 1 11 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.888 -0.582 25376 2590 1 11 . 1 1 65 65 LYS H H 65 8.175 8.175 8.696 -0.521 25376 2591 1 11 . 1 1 66 66 CYS N N 66 117.296 117.296 117.360 -0.064 25376 2592 1 11 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.820 -0.128 25376 2593 1 11 . 1 1 66 66 CYS CA C 66 53.727 53.727 55.118 -1.391 25376 2594 1 11 . 1 1 66 66 CYS H H 66 8.790 8.790 8.231 0.559 25376 2595 1 11 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.681 -0.284 25376 2596 1 11 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.745 0.084 25376 2597 1 11 . 1 1 67 67 PRO CB C 67 31.785 31.785 32.477 -0.692 25376 2598 1 11 . 1 1 68 68 LYS N N 68 121.724 121.724 119.071 2.653 25376 2599 1 11 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.682 -0.397 25376 2600 1 11 . 1 1 68 68 LYS CA C 68 54.929 54.929 54.862 0.067 25376 2601 1 11 . 1 1 68 68 LYS CB C 68 33.327 33.327 36.536 -3.209 25376 2602 1 11 . 1 1 68 68 LYS H H 68 8.662 8.662 8.302 0.360 25376 2603 1 11 . 1 1 69 69 LEU N N 69 125.851 125.851 123.408 2.443 25376 2604 1 11 . 1 1 69 69 LEU HA H 69 4.474 4.474 4.804 -0.330 25376 2605 1 11 . 1 1 69 69 LEU CA C 69 54.454 54.454 54.005 0.449 25376 2606 1 11 . 1 1 69 69 LEU CB C 69 41.720 41.720 41.598 0.122 25376 2607 1 11 . 1 1 69 69 LEU H H 69 8.320 8.320 8.575 -0.255 25376 2608 1 11 . 1 1 70 70 LEU N N 70 128.488 128.488 126.598 1.890 25376 2609 1 11 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.259 0.389 25376 2610 1 11 . 1 1 70 70 LEU CA C 70 53.127 53.127 54.737 -1.610 25376 2611 1 11 . 1 1 70 70 LEU CB C 70 42.832 42.832 41.974 0.858 25376 2612 1 11 . 1 1 70 70 LEU H H 70 8.677 8.677 7.859 0.819 25376 2613 1 11 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.357 -0.081 25376 2614 1 11 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.168 0.622 25376 2615 1 11 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.758 -0.298 25376 2616 1 11 . 1 1 72 72 CYS N N 72 112.135 112.135 116.655 -4.520 25376 2617 1 11 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.465 -0.191 25376 2618 1 11 . 1 1 72 72 CYS CA C 72 57.194 57.194 59.954 -2.760 25376 2619 1 11 . 1 1 72 72 CYS CB C 72 31.085 31.085 28.770 2.315 25376 2620 1 11 . 1 1 72 72 CYS H H 72 7.204 7.204 8.360 -1.156 25376 2621 1 11 . 1 1 73 73 LEU N N 73 114.341 114.341 113.056 1.285 25376 2622 1 11 . 1 1 73 73 LEU HA H 73 3.868 3.868 4.419 -0.551 25376 2623 1 11 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.165 1.335 25376 2624 1 11 . 1 1 73 73 LEU CB C 73 37.671 37.671 40.683 -3.012 25376 2625 1 11 . 1 1 73 73 LEU H H 73 8.043 8.043 7.616 0.427 25376 2626 1 11 . 1 1 74 74 HIS N N 74 120.386 120.386 116.913 3.473 25376 2627 1 11 . 1 1 74 74 HIS HA H 74 4.990 4.990 5.181 -0.191 25376 2628 1 11 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.580 4.093 25376 2629 1 11 . 1 1 74 74 HIS CB C 74 31.354 31.354 33.606 -2.252 25376 2630 1 11 . 1 1 74 74 HIS H H 74 7.831 7.831 7.713 0.118 25376 2631 1 11 . 1 1 75 75 THR N N 75 118.963 118.963 116.966 1.997 25376 2632 1 11 . 1 1 75 75 THR HA H 75 4.730 4.730 4.882 -0.152 25376 2633 1 11 . 1 1 75 75 THR CA C 75 62.185 62.185 62.221 -0.036 25376 2634 1 11 . 1 1 75 75 THR CB C 75 69.640 69.640 70.093 -0.453 25376 2635 1 11 . 1 1 75 75 THR H H 75 8.889 8.889 8.556 0.333 25376 2636 1 11 . 1 1 76 76 LEU N N 76 128.330 128.330 126.630 1.700 25376 2637 1 11 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.966 0.967 25376 2638 1 11 . 1 1 76 76 LEU CA C 76 51.509 51.509 52.987 -1.478 25376 2639 1 11 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.192 -0.998 25376 2640 1 11 . 1 1 76 76 LEU H H 76 8.767 8.767 8.210 0.557 25376 2641 1 11 . 1 1 77 77 CYS N N 77 119.360 119.360 116.505 2.855 25376 2642 1 11 . 1 1 77 77 CYS HA H 77 4.732 4.732 4.971 -0.239 25376 2643 1 11 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.740 0.130 25376 2644 1 11 . 1 1 77 77 CYS CB C 77 31.698 31.698 29.420 2.278 25376 2645 1 11 . 1 1 77 77 CYS H H 77 9.510 9.510 8.384 1.126 25376 2646 1 11 . 1 1 78 78 SER N N 78 114.841 114.841 118.412 -3.571 25376 2647 1 11 . 1 1 78 78 SER HA H 78 4.037 4.037 4.083 -0.046 25376 2648 1 11 . 1 1 78 78 SER CA C 78 61.756 61.756 61.650 0.106 25376 2649 1 11 . 1 1 78 78 SER CB C 78 62.254 62.254 63.010 -0.756 25376 2650 1 11 . 1 1 78 78 SER H H 78 8.593 8.593 8.707 -0.114 25376 2651 1 11 . 1 1 79 79 GLY N N 79 111.904 111.904 109.039 2.865 25376 2652 1 11 . 1 1 79 79 GLY CA C 79 46.777 46.777 46.913 -0.136 25376 2653 1 11 . 1 1 79 79 GLY H H 79 8.391 8.391 8.791 -0.400 25376 2654 1 11 . 1 1 80 80 CYS N N 80 126.807 126.807 120.439 6.368 25376 2655 1 11 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.241 -0.287 25376 2656 1 11 . 1 1 80 80 CYS CA C 80 65.189 65.189 62.363 2.826 25376 2657 1 11 . 1 1 80 80 CYS CB C 80 28.846 28.846 26.067 2.779 25376 2658 1 11 . 1 1 80 80 CYS H H 80 9.039 9.039 7.843 1.196 25376 2659 1 11 . 1 1 81 81 LEU N N 81 120.440 120.440 121.153 -0.713 25376 2660 1 11 . 1 1 81 81 LEU HA H 81 4.132 4.132 3.990 0.142 25376 2661 1 11 . 1 1 81 81 LEU CA C 81 57.443 57.443 58.092 -0.649 25376 2662 1 11 . 1 1 81 81 LEU CB C 81 41.782 41.782 40.707 1.075 25376 2663 1 11 . 1 1 81 81 LEU H H 81 8.109 8.109 8.100 0.009 25376 2664 1 11 . 1 1 82 82 GLU N N 82 120.149 120.149 119.328 0.821 25376 2665 1 11 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.133 -0.096 25376 2666 1 11 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.223 0.096 25376 2667 1 11 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.944 -1.016 25376 2668 1 11 . 1 1 82 82 GLU H H 82 8.432 8.432 7.958 0.474 25376 2669 1 11 . 1 1 83 83 ALA N N 83 120.334 120.334 123.431 -3.097 25376 2670 1 11 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.197 0.102 25376 2671 1 11 . 1 1 83 83 ALA CA C 83 53.543 53.543 54.771 -1.228 25376 2672 1 11 . 1 1 83 83 ALA CB C 83 18.334 18.334 18.660 -0.326 25376 2673 1 11 . 1 1 83 83 ALA H H 83 7.715 7.715 8.156 -0.441 25376 2674 1 11 . 1 1 84 84 SER N N 84 112.368 112.368 113.553 -1.185 25376 2675 1 11 . 1 1 84 84 SER HA H 84 4.494 4.494 4.422 0.072 25376 2676 1 11 . 1 1 84 84 SER CA C 84 58.210 58.210 58.203 0.007 25376 2677 1 11 . 1 1 84 84 SER CB C 84 63.837 63.837 63.335 0.502 25376 2678 1 11 . 1 1 84 84 SER H H 84 7.570 7.570 7.903 -0.333 25376 2679 1 11 . 1 1 85 85 GLY N N 85 110.612 110.612 109.887 0.725 25376 2680 1 11 . 1 1 85 85 GLY CA C 85 46.841 46.841 46.095 0.746 25376 2681 1 11 . 1 1 85 85 GLY H H 85 7.955 7.955 7.500 0.455 25376 2682 1 11 . 1 1 86 86 MET N N 86 113.856 113.856 112.882 0.974 25376 2683 1 11 . 1 1 86 86 MET HA H 86 3.804 3.804 3.985 -0.181 25376 2684 1 11 . 1 1 86 86 MET CA C 86 55.160 55.160 56.171 -1.011 25376 2685 1 11 . 1 1 86 86 MET CB C 86 28.494 28.494 29.830 -1.336 25376 2686 1 11 . 1 1 86 86 MET H H 86 8.489 8.489 8.168 0.321 25376 2687 1 11 . 1 1 87 87 GLN N N 87 116.394 116.394 117.668 -1.274 25376 2688 1 11 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.182 0.267 25376 2689 1 11 . 1 1 87 87 GLN CA C 87 53.404 53.404 57.682 -4.278 25376 2690 1 11 . 1 1 87 87 GLN CB C 87 30.964 30.964 29.814 1.150 25376 2691 1 11 . 1 1 87 87 GLN H H 87 7.188 7.188 7.690 -0.502 25376 2692 1 11 . 1 1 88 88 CYS N N 88 124.484 124.484 119.103 5.381 25376 2693 1 11 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.845 -0.545 25376 2694 1 11 . 1 1 88 88 CYS CA C 88 57.101 57.101 56.398 0.703 25376 2695 1 11 . 1 1 88 88 CYS CB C 88 31.117 31.117 26.623 4.494 25376 2696 1 11 . 1 1 88 88 CYS H H 88 8.616 8.616 8.636 -0.020 25376 2697 1 11 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.300 0.209 25376 2698 1 11 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.648 -0.933 25376 2699 1 11 . 1 1 89 89 PRO CB C 89 31.717 31.717 32.251 -0.534 25376 2700 1 11 . 1 1 90 90 ILE N N 90 123.484 123.484 117.321 6.163 25376 2701 1 11 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.801 -0.018 25376 2702 1 11 . 1 1 90 90 ILE CA C 90 62.878 62.878 60.810 2.067 25376 2703 1 11 . 1 1 90 90 ILE CB C 90 37.483 37.483 35.820 1.663 25376 2704 1 11 . 1 1 90 90 ILE H H 90 8.908 8.908 7.780 1.128 25376 2705 1 11 . 1 1 91 91 CYS N N 91 120.890 120.890 119.261 1.629 25376 2706 1 11 . 1 1 91 91 CYS HA H 91 4.517 4.517 3.998 0.519 25376 2707 1 11 . 1 1 91 91 CYS CA C 91 60.891 60.891 60.971 -0.081 25376 2708 1 11 . 1 1 91 91 CYS CB C 91 31.244 31.244 25.515 5.729 25376 2709 1 11 . 1 1 91 91 CYS H H 91 8.587 8.587 8.091 0.496 25376 2710 1 11 . 1 1 92 92 GLN N N 92 116.563 116.563 119.975 -3.412 25376 2711 1 11 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.108 0.024 25376 2712 1 11 . 1 1 92 92 GLN CA C 92 56.824 56.824 57.311 -0.487 25376 2713 1 11 . 1 1 92 92 GLN CB C 92 27.216 27.216 28.804 -1.588 25376 2714 1 11 . 1 1 92 92 GLN H H 92 7.787 7.787 7.775 0.012 25376 2715 1 11 . 1 1 93 93 ALA N N 93 125.273 125.273 124.268 1.005 25376 2716 1 11 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.735 -0.174 25376 2717 1 11 . 1 1 93 93 ALA CA C 93 50.862 50.862 48.913 1.949 25376 2718 1 11 . 1 1 93 93 ALA CB C 93 18.415 18.415 19.183 -0.768 25376 2719 1 11 . 1 1 93 93 ALA H H 93 8.031 8.031 7.838 0.193 25376 2720 1 11 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.693 -0.155 25376 2721 1 11 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.983 -0.470 25376 2722 1 11 . 1 1 94 94 PRO CB C 94 31.684 31.684 31.728 -0.044 25376 2723 1 11 . 1 1 95 95 TRP N N 95 121.986 121.986 127.685 -5.699 25376 2724 1 11 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.959 0.083 25376 2725 1 11 . 1 1 95 95 TRP CA C 95 54.005 54.005 54.155 -0.150 25376 2726 1 11 . 1 1 95 95 TRP CB C 95 28.846 28.846 29.222 -0.376 25376 2727 1 11 . 1 1 95 95 TRP H H 95 8.012 8.012 8.278 -0.266 25376 2728 1 11 . 1 1 96 96 PRO HA H 96 4.490 4.490 4.171 0.319 25376 2729 1 11 . 1 1 96 96 PRO CA C 96 62.900 62.900 62.650 0.250 25376 2730 1 11 . 1 1 96 96 PRO CB C 96 31.550 31.550 32.014 -0.464 25376 2731 1 11 . 1 1 97 97 LEU N N 97 122.075 122.075 117.352 4.723 25376 2732 1 11 . 1 1 97 97 LEU HA H 97 4.299 4.299 4.192 0.107 25376 2733 1 11 . 1 1 97 97 LEU CA C 97 55.206 55.206 53.747 1.459 25376 2734 1 11 . 1 1 97 97 LEU CB C 97 42.046 42.046 43.235 -1.189 25376 2735 1 11 . 1 1 97 97 LEU H H 97 8.224 8.224 7.605 0.619 25376 2736 1 11 . 1 1 98 98 GLY N N 98 110.020 110.020 109.028 0.992 25376 2737 1 11 . 1 1 98 98 GLY CA C 98 45.085 45.085 45.162 -0.077 25376 2738 1 11 . 1 1 98 98 GLY H H 98 8.444 8.444 8.564 -0.120 25376 2739 1 11 . 1 1 99 99 ALA N N 99 123.511 123.511 122.290 1.221 25376 2740 1 11 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.633 -0.334 25376 2741 1 11 . 1 1 99 99 ALA CA C 99 52.249 52.249 51.820 0.429 25376 2742 1 11 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.702 -0.766 25376 2743 1 11 . 1 1 99 99 ALA H H 99 8.176 8.176 8.167 0.009 25376 2744 1 11 . 1 1 100 100 ASP N N 100 119.098 119.098 121.386 -2.288 25376 2745 1 11 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.505 0.056 25376 2746 1 11 . 1 1 100 100 ASP CA C 100 53.912 53.912 54.812 -0.900 25376 2747 1 11 . 1 1 100 100 ASP CB C 100 40.580 40.580 40.000 0.580 25376 2748 1 11 . 1 1 100 100 ASP H H 100 8.383 8.383 8.199 0.184 25376 2749 1 11 . 1 1 101 101 THR N N 101 116.696 116.696 117.525 -0.829 25376 2750 1 11 . 1 1 101 101 THR HA H 101 4.517 4.517 4.427 0.090 25376 2751 1 11 . 1 1 101 101 THR CA C 101 59.551 59.551 60.588 -1.037 25376 2752 1 11 . 1 1 101 101 THR CB C 101 69.589 69.589 68.508 1.081 25376 2753 1 11 . 1 1 101 101 THR H H 101 8.017 8.017 7.830 0.188 25376 2754 1 11 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.401 -0.065 25376 2755 1 11 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.463 0.421 25376 2756 1 11 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.313 -0.546 25376 2757 1 11 . 1 1 103 103 ALA N N 103 125.184 125.184 121.664 3.520 25376 2758 1 11 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.397 -0.112 25376 2759 1 11 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.224 0.793 25376 2760 1 11 . 1 1 103 103 ALA CB C 103 18.974 18.974 19.991 -1.018 25376 2761 1 11 . 1 1 103 103 ALA H H 103 8.333 8.333 8.136 0.197 25376 2762 1 12 . 1 1 50 50 GLU N N 50 120.583 120.583 122.645 -2.062 25376 2763 1 12 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.612 -0.444 25376 2764 1 12 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.345 0.479 25376 2765 1 12 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.412 -0.694 25376 2766 1 12 . 1 1 50 50 GLU H H 50 8.300 8.300 8.514 -0.214 25376 2767 1 12 . 1 1 51 51 GLU N N 51 121.142 121.142 120.322 0.820 25376 2768 1 12 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.539 -0.415 25376 2769 1 12 . 1 1 51 51 GLU CA C 51 56.362 56.362 55.359 1.003 25376 2770 1 12 . 1 1 51 51 GLU CB C 51 29.727 29.727 30.736 -1.010 25376 2771 1 12 . 1 1 51 51 GLU H H 51 8.140 8.140 8.706 -0.566 25376 2772 1 12 . 1 1 52 52 PHE N N 52 120.500 120.500 117.730 2.770 25376 2773 1 12 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.899 -0.384 25376 2774 1 12 . 1 1 52 52 PHE CA C 52 57.409 57.409 55.820 1.589 25376 2775 1 12 . 1 1 52 52 PHE CB C 52 39.326 39.326 40.234 -0.908 25376 2776 1 12 . 1 1 52 52 PHE H H 52 8.106 8.106 7.322 0.784 25376 2777 1 12 . 1 1 53 53 GLN N N 53 121.616 121.616 121.763 -0.147 25376 2778 1 12 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.656 -0.444 25376 2779 1 12 . 1 1 53 53 GLN CA C 53 55.345 55.345 55.148 0.197 25376 2780 1 12 . 1 1 53 53 GLN CB C 53 29.357 29.357 27.425 1.932 25376 2781 1 12 . 1 1 53 53 GLN H H 53 8.047 8.047 8.854 -0.807 25376 2782 1 12 . 1 1 54 54 PHE N N 54 120.217 120.217 118.842 1.375 25376 2783 1 12 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.767 -0.119 25376 2784 1 12 . 1 1 54 54 PHE CA C 54 56.824 56.824 58.094 -1.270 25376 2785 1 12 . 1 1 54 54 PHE CB C 54 39.522 39.522 42.530 -3.008 25376 2786 1 12 . 1 1 54 54 PHE H H 54 7.956 7.956 7.884 0.072 25376 2787 1 12 . 1 1 55 55 LEU N N 55 123.391 123.391 120.874 2.517 25376 2788 1 12 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.812 -0.426 25376 2789 1 12 . 1 1 55 55 LEU CA C 55 54.421 54.421 53.810 0.611 25376 2790 1 12 . 1 1 55 55 LEU CB C 55 43.024 43.024 43.649 -0.625 25376 2791 1 12 . 1 1 55 55 LEU H H 55 8.567 8.567 8.904 -0.337 25376 2792 1 12 . 1 1 56 56 ARG N N 56 120.442 120.442 119.545 0.897 25376 2793 1 12 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.757 -0.188 25376 2794 1 12 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.903 -0.350 25376 2795 1 12 . 1 1 56 56 ARG CB C 56 31.817 31.817 31.706 0.111 25376 2796 1 12 . 1 1 56 56 ARG H H 56 8.101 8.101 8.333 -0.232 25376 2797 1 12 . 1 1 57 57 CYS N N 57 123.891 123.891 127.198 -3.307 25376 2798 1 12 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.267 -0.314 25376 2799 1 12 . 1 1 57 57 CYS CA C 57 59.135 59.135 60.044 -0.909 25376 2800 1 12 . 1 1 57 57 CYS CB C 57 31.290 31.290 28.603 2.687 25376 2801 1 12 . 1 1 57 57 CYS H H 57 8.828 8.828 8.606 0.222 25376 2802 1 12 . 1 1 58 58 GLN N N 58 128.172 128.172 127.071 1.101 25376 2803 1 12 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.100 0.021 25376 2804 1 12 . 1 1 58 58 GLN CA C 58 58.528 58.528 57.211 1.317 25376 2805 1 12 . 1 1 58 58 GLN CB C 58 29.950 29.950 27.552 2.397 25376 2806 1 12 . 1 1 58 58 GLN H H 58 9.222 9.222 8.402 0.820 25376 2807 1 12 . 1 1 59 59 GLN N N 59 121.709 121.709 115.684 6.025 25376 2808 1 12 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.302 0.287 25376 2809 1 12 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.626 -0.017 25376 2810 1 12 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.094 0.623 25376 2811 1 12 . 1 1 59 59 GLN H H 59 9.200 9.200 7.492 1.708 25376 2812 1 12 . 1 1 60 60 CYS N N 60 119.482 119.482 117.459 2.023 25376 2813 1 12 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.689 0.105 25376 2814 1 12 . 1 1 60 60 CYS CA C 60 59.458 59.458 59.419 0.039 25376 2815 1 12 . 1 1 60 60 CYS CB C 60 32.179 32.179 27.958 4.221 25376 2816 1 12 . 1 1 60 60 CYS H H 60 8.566 8.566 7.627 0.939 25376 2817 1 12 . 1 1 61 61 GLN N N 61 115.153 115.153 115.099 0.054 25376 2818 1 12 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.939 0.214 25376 2819 1 12 . 1 1 61 61 GLN CA C 61 57.979 57.979 56.574 1.405 25376 2820 1 12 . 1 1 61 61 GLN CB C 61 25.342 25.342 25.489 -0.147 25376 2821 1 12 . 1 1 61 61 GLN H H 61 7.672 7.672 8.557 -0.885 25376 2822 1 12 . 1 1 62 62 ALA N N 62 124.669 124.669 119.850 4.819 25376 2823 1 12 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.555 -0.118 25376 2824 1 12 . 1 1 62 62 ALA CA C 62 52.064 52.064 51.155 0.909 25376 2825 1 12 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.393 -0.571 25376 2826 1 12 . 1 1 62 62 ALA H H 62 8.728 8.728 7.560 1.168 25376 2827 1 12 . 1 1 63 63 GLU N N 63 119.649 119.649 118.906 0.743 25376 2828 1 12 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.253 -0.216 25376 2829 1 12 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.416 -0.084 25376 2830 1 12 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.851 -0.589 25376 2831 1 12 . 1 1 63 63 GLU H H 63 8.523 8.523 8.460 0.063 25376 2832 1 12 . 1 1 64 64 ALA N N 64 128.762 128.762 129.193 -0.431 25376 2833 1 12 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.675 -0.289 25376 2834 1 12 . 1 1 64 64 ALA CA C 64 50.354 50.354 51.046 -0.692 25376 2835 1 12 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.995 -1.660 25376 2836 1 12 . 1 1 64 64 ALA H H 64 8.581 8.581 8.399 0.182 25376 2837 1 12 . 1 1 65 65 LYS N N 65 122.223 122.223 124.659 -2.436 25376 2838 1 12 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.318 -0.237 25376 2839 1 12 . 1 1 65 65 LYS CA C 65 57.055 57.055 59.074 -2.019 25376 2840 1 12 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.847 -0.541 25376 2841 1 12 . 1 1 65 65 LYS H H 65 8.175 8.175 8.820 -0.645 25376 2842 1 12 . 1 1 66 66 CYS N N 66 117.296 117.296 118.844 -1.548 25376 2843 1 12 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.759 -0.067 25376 2844 1 12 . 1 1 66 66 CYS CA C 66 53.727 53.727 55.409 -1.682 25376 2845 1 12 . 1 1 66 66 CYS H H 66 8.790 8.790 8.122 0.668 25376 2846 1 12 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.661 -0.264 25376 2847 1 12 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.614 0.215 25376 2848 1 12 . 1 1 67 67 PRO CB C 67 31.785 31.785 32.537 -0.752 25376 2849 1 12 . 1 1 68 68 LYS N N 68 121.724 121.724 120.875 0.849 25376 2850 1 12 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.749 -0.464 25376 2851 1 12 . 1 1 68 68 LYS CA C 68 54.929 54.929 53.920 1.009 25376 2852 1 12 . 1 1 68 68 LYS CB C 68 33.327 33.327 35.964 -2.637 25376 2853 1 12 . 1 1 68 68 LYS H H 68 8.662 8.662 8.111 0.551 25376 2854 1 12 . 1 1 69 69 LEU N N 69 125.851 125.851 123.995 1.856 25376 2855 1 12 . 1 1 69 69 LEU HA H 69 4.474 4.474 5.082 -0.608 25376 2856 1 12 . 1 1 69 69 LEU CA C 69 54.454 54.454 53.523 0.931 25376 2857 1 12 . 1 1 69 69 LEU CB C 69 41.720 41.720 42.403 -0.682 25376 2858 1 12 . 1 1 69 69 LEU H H 69 8.320 8.320 8.543 -0.223 25376 2859 1 12 . 1 1 70 70 LEU N N 70 128.488 128.488 125.820 2.668 25376 2860 1 12 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.253 0.395 25376 2861 1 12 . 1 1 70 70 LEU CA C 70 53.127 53.127 54.359 -1.232 25376 2862 1 12 . 1 1 70 70 LEU CB C 70 42.832 42.832 40.663 2.169 25376 2863 1 12 . 1 1 70 70 LEU H H 70 8.677 8.677 7.897 0.780 25376 2864 1 12 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.411 -0.135 25376 2865 1 12 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.503 0.287 25376 2866 1 12 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.530 -0.070 25376 2867 1 12 . 1 1 72 72 CYS N N 72 112.135 112.135 115.145 -3.010 25376 2868 1 12 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.603 -0.329 25376 2869 1 12 . 1 1 72 72 CYS CA C 72 57.194 57.194 58.120 -0.926 25376 2870 1 12 . 1 1 72 72 CYS CB C 72 31.085 31.085 26.385 4.700 25376 2871 1 12 . 1 1 72 72 CYS H H 72 7.204 7.204 7.853 -0.649 25376 2872 1 12 . 1 1 73 73 LEU N N 73 114.341 114.341 117.107 -2.766 25376 2873 1 12 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.967 -0.099 25376 2874 1 12 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.276 1.224 25376 2875 1 12 . 1 1 73 73 LEU CB C 73 37.671 37.671 38.835 -1.164 25376 2876 1 12 . 1 1 73 73 LEU H H 73 8.043 8.043 7.431 0.612 25376 2877 1 12 . 1 1 74 74 HIS N N 74 120.386 120.386 116.794 3.592 25376 2878 1 12 . 1 1 74 74 HIS HA H 74 4.990 4.990 5.151 -0.161 25376 2879 1 12 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.302 4.370 25376 2880 1 12 . 1 1 74 74 HIS CB C 74 31.354 31.354 32.090 -0.736 25376 2881 1 12 . 1 1 74 74 HIS H H 74 7.831 7.831 7.622 0.209 25376 2882 1 12 . 1 1 75 75 THR N N 75 118.963 118.963 116.774 2.189 25376 2883 1 12 . 1 1 75 75 THR HA H 75 4.730 4.730 4.687 0.043 25376 2884 1 12 . 1 1 75 75 THR CA C 75 62.185 62.185 62.454 -0.269 25376 2885 1 12 . 1 1 75 75 THR CB C 75 69.640 69.640 69.884 -0.244 25376 2886 1 12 . 1 1 75 75 THR H H 75 8.889 8.889 8.427 0.462 25376 2887 1 12 . 1 1 76 76 LEU N N 76 128.330 128.330 126.989 1.341 25376 2888 1 12 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.936 0.997 25376 2889 1 12 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.156 -1.647 25376 2890 1 12 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.239 -1.045 25376 2891 1 12 . 1 1 76 76 LEU H H 76 8.767 8.767 8.190 0.577 25376 2892 1 12 . 1 1 77 77 CYS N N 77 119.360 119.360 116.726 2.634 25376 2893 1 12 . 1 1 77 77 CYS HA H 77 4.732 4.732 4.995 -0.263 25376 2894 1 12 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.374 0.496 25376 2895 1 12 . 1 1 77 77 CYS CB C 77 31.698 31.698 29.380 2.318 25376 2896 1 12 . 1 1 77 77 CYS H H 77 9.510 9.510 8.295 1.215 25376 2897 1 12 . 1 1 78 78 SER N N 78 114.841 114.841 116.901 -2.060 25376 2898 1 12 . 1 1 78 78 SER HA H 78 4.037 4.037 4.282 -0.245 25376 2899 1 12 . 1 1 78 78 SER CA C 78 61.756 61.756 61.496 0.260 25376 2900 1 12 . 1 1 78 78 SER CB C 78 62.254 62.254 63.412 -1.158 25376 2901 1 12 . 1 1 78 78 SER H H 78 8.593 8.593 8.421 0.172 25376 2902 1 12 . 1 1 79 79 GLY N N 79 111.904 111.904 108.570 3.334 25376 2903 1 12 . 1 1 79 79 GLY CA C 79 46.777 46.777 46.755 0.022 25376 2904 1 12 . 1 1 79 79 GLY H H 79 8.391 8.391 8.531 -0.140 25376 2905 1 12 . 1 1 80 80 CYS N N 80 126.807 126.807 120.004 6.803 25376 2906 1 12 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.486 -0.532 25376 2907 1 12 . 1 1 80 80 CYS CA C 80 65.189 65.189 61.391 3.799 25376 2908 1 12 . 1 1 80 80 CYS CB C 80 28.846 28.846 25.955 2.891 25376 2909 1 12 . 1 1 80 80 CYS H H 80 9.039 9.039 7.719 1.320 25376 2910 1 12 . 1 1 81 81 LEU N N 81 120.440 120.440 121.545 -1.105 25376 2911 1 12 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.049 0.083 25376 2912 1 12 . 1 1 81 81 LEU CA C 81 57.443 57.443 57.834 -0.391 25376 2913 1 12 . 1 1 81 81 LEU CB C 81 41.782 41.782 40.758 1.024 25376 2914 1 12 . 1 1 81 81 LEU H H 81 8.109 8.109 8.117 -0.008 25376 2915 1 12 . 1 1 82 82 GLU N N 82 120.149 120.149 119.541 0.608 25376 2916 1 12 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.123 -0.086 25376 2917 1 12 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.272 0.047 25376 2918 1 12 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.874 -0.947 25376 2919 1 12 . 1 1 82 82 GLU H H 82 8.432 8.432 7.976 0.456 25376 2920 1 12 . 1 1 83 83 ALA N N 83 120.334 120.334 122.978 -2.644 25376 2921 1 12 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.218 0.081 25376 2922 1 12 . 1 1 83 83 ALA CA C 83 53.543 53.543 54.715 -1.172 25376 2923 1 12 . 1 1 83 83 ALA CB C 83 18.334 18.334 18.862 -0.528 25376 2924 1 12 . 1 1 83 83 ALA H H 83 7.715 7.715 8.086 -0.371 25376 2925 1 12 . 1 1 84 84 SER N N 84 112.368 112.368 113.795 -1.427 25376 2926 1 12 . 1 1 84 84 SER HA H 84 4.494 4.494 4.597 -0.103 25376 2927 1 12 . 1 1 84 84 SER CA C 84 58.210 58.210 57.696 0.514 25376 2928 1 12 . 1 1 84 84 SER CB C 84 63.837 63.837 63.483 0.354 25376 2929 1 12 . 1 1 84 84 SER H H 84 7.570 7.570 7.875 -0.305 25376 2930 1 12 . 1 1 85 85 GLY N N 85 110.612 110.612 110.107 0.505 25376 2931 1 12 . 1 1 85 85 GLY CA C 85 46.841 46.841 46.053 0.788 25376 2932 1 12 . 1 1 85 85 GLY H H 85 7.955 7.955 7.436 0.519 25376 2933 1 12 . 1 1 86 86 MET N N 86 113.856 113.856 113.350 0.506 25376 2934 1 12 . 1 1 86 86 MET HA H 86 3.804 3.804 3.950 -0.146 25376 2935 1 12 . 1 1 86 86 MET CA C 86 55.160 55.160 56.239 -1.079 25376 2936 1 12 . 1 1 86 86 MET CB C 86 28.494 28.494 29.818 -1.324 25376 2937 1 12 . 1 1 86 86 MET H H 86 8.489 8.489 8.236 0.253 25376 2938 1 12 . 1 1 87 87 GLN N N 87 116.394 116.394 118.341 -1.947 25376 2939 1 12 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.243 0.206 25376 2940 1 12 . 1 1 87 87 GLN CA C 87 53.404 53.404 57.258 -3.854 25376 2941 1 12 . 1 1 87 87 GLN CB C 87 30.964 30.964 30.238 0.727 25376 2942 1 12 . 1 1 87 87 GLN H H 87 7.188 7.188 7.748 -0.560 25376 2943 1 12 . 1 1 88 88 CYS N N 88 124.484 124.484 119.069 5.415 25376 2944 1 12 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.789 -0.489 25376 2945 1 12 . 1 1 88 88 CYS CA C 88 57.101 57.101 57.332 -0.231 25376 2946 1 12 . 1 1 88 88 CYS CB C 88 31.117 31.117 26.637 4.481 25376 2947 1 12 . 1 1 88 88 CYS H H 88 8.616 8.616 8.601 0.015 25376 2948 1 12 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.323 0.186 25376 2949 1 12 . 1 1 89 89 PRO CA C 89 63.715 63.715 65.184 -1.469 25376 2950 1 12 . 1 1 89 89 PRO CB C 89 31.717 31.717 31.952 -0.235 25376 2951 1 12 . 1 1 90 90 ILE N N 90 123.484 123.484 116.614 6.870 25376 2952 1 12 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.737 0.046 25376 2953 1 12 . 1 1 90 90 ILE CA C 90 62.878 62.878 60.658 2.220 25376 2954 1 12 . 1 1 90 90 ILE CB C 90 37.483 37.483 35.564 1.919 25376 2955 1 12 . 1 1 90 90 ILE H H 90 8.908 8.908 7.937 0.971 25376 2956 1 12 . 1 1 91 91 CYS N N 91 120.890 120.890 117.505 3.385 25376 2957 1 12 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.289 0.228 25376 2958 1 12 . 1 1 91 91 CYS CA C 91 60.891 60.891 60.001 0.890 25376 2959 1 12 . 1 1 91 91 CYS CB C 91 31.244 31.244 25.868 5.376 25376 2960 1 12 . 1 1 91 91 CYS H H 91 8.587 8.587 7.609 0.978 25376 2961 1 12 . 1 1 92 92 GLN N N 92 116.563 116.563 118.832 -2.269 25376 2962 1 12 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.080 0.052 25376 2963 1 12 . 1 1 92 92 GLN CA C 92 56.824 56.824 57.690 -0.866 25376 2964 1 12 . 1 1 92 92 GLN CB C 92 27.216 27.216 29.005 -1.789 25376 2965 1 12 . 1 1 92 92 GLN H H 92 7.787 7.787 7.750 0.037 25376 2966 1 12 . 1 1 93 93 ALA N N 93 125.273 125.273 120.751 4.522 25376 2967 1 12 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.759 -0.198 25376 2968 1 12 . 1 1 93 93 ALA CA C 93 50.862 50.862 49.753 1.109 25376 2969 1 12 . 1 1 93 93 ALA CB C 93 18.415 18.415 20.482 -2.067 25376 2970 1 12 . 1 1 93 93 ALA H H 93 8.031 8.031 7.389 0.642 25376 2971 1 12 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.578 -0.040 25376 2972 1 12 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.533 -0.020 25376 2973 1 12 . 1 1 94 94 PRO CB C 94 31.684 31.684 29.789 1.895 25376 2974 1 12 . 1 1 95 95 TRP N N 95 121.986 121.986 124.666 -2.680 25376 2975 1 12 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.692 0.350 25376 2976 1 12 . 1 1 95 95 TRP CA C 95 54.005 54.005 54.402 -0.397 25376 2977 1 12 . 1 1 95 95 TRP CB C 95 28.846 28.846 27.961 0.885 25376 2978 1 12 . 1 1 95 95 TRP H H 95 8.012 8.012 8.376 -0.364 25376 2979 1 12 . 1 1 96 96 PRO HA H 96 4.490 4.490 4.163 0.327 25376 2980 1 12 . 1 1 96 96 PRO CA C 96 62.900 62.900 62.568 0.332 25376 2981 1 12 . 1 1 96 96 PRO CB C 96 31.550 31.550 31.570 -0.020 25376 2982 1 12 . 1 1 97 97 LEU N N 97 122.075 122.075 121.471 0.604 25376 2983 1 12 . 1 1 97 97 LEU HA H 97 4.299 4.299 4.257 0.042 25376 2984 1 12 . 1 1 97 97 LEU CA C 97 55.206 55.206 53.893 1.313 25376 2985 1 12 . 1 1 97 97 LEU CB C 97 42.046 42.046 43.114 -1.068 25376 2986 1 12 . 1 1 97 97 LEU H H 97 8.224 8.224 7.787 0.437 25376 2987 1 12 . 1 1 98 98 GLY N N 98 110.020 110.020 106.807 3.213 25376 2988 1 12 . 1 1 98 98 GLY CA C 98 45.085 45.085 45.431 -0.346 25376 2989 1 12 . 1 1 98 98 GLY H H 98 8.444 8.444 8.308 0.136 25376 2990 1 12 . 1 1 99 99 ALA N N 99 123.511 123.511 122.472 1.039 25376 2991 1 12 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.599 -0.300 25376 2992 1 12 . 1 1 99 99 ALA CA C 99 52.249 52.249 51.652 0.597 25376 2993 1 12 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.578 -0.642 25376 2994 1 12 . 1 1 99 99 ALA H H 99 8.176 8.176 8.173 0.003 25376 2995 1 12 . 1 1 100 100 ASP N N 100 119.098 119.098 119.095 0.003 25376 2996 1 12 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.414 0.147 25376 2997 1 12 . 1 1 100 100 ASP CA C 100 53.912 53.912 54.354 -0.442 25376 2998 1 12 . 1 1 100 100 ASP CB C 100 40.580 40.580 39.990 0.590 25376 2999 1 12 . 1 1 100 100 ASP H H 100 8.383 8.383 7.931 0.452 25376 3000 1 12 . 1 1 101 101 THR N N 101 116.696 116.696 115.610 1.086 25376 3001 1 12 . 1 1 101 101 THR HA H 101 4.517 4.517 4.400 0.117 25376 3002 1 12 . 1 1 101 101 THR CA C 101 59.551 59.551 60.440 -0.889 25376 3003 1 12 . 1 1 101 101 THR CB C 101 69.589 69.589 68.624 0.965 25376 3004 1 12 . 1 1 101 101 THR H H 101 8.017 8.017 7.963 0.054 25376 3005 1 12 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.395 -0.059 25376 3006 1 12 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.550 0.334 25376 3007 1 12 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.452 -0.684 25376 3008 1 12 . 1 1 103 103 ALA N N 103 125.184 125.184 122.099 3.085 25376 3009 1 12 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.400 -0.115 25376 3010 1 12 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.225 0.792 25376 3011 1 12 . 1 1 103 103 ALA CB C 103 18.974 18.974 19.897 -0.923 25376 3012 1 12 . 1 1 103 103 ALA H H 103 8.333 8.333 8.161 0.172 25376 3013 1 13 . 1 1 50 50 GLU N N 50 120.583 120.583 121.286 -0.703 25376 3014 1 13 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.541 -0.373 25376 3015 1 13 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.175 0.649 25376 3016 1 13 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.063 -0.345 25376 3017 1 13 . 1 1 50 50 GLU H H 50 8.300 8.300 8.341 -0.041 25376 3018 1 13 . 1 1 51 51 GLU N N 51 121.142 121.142 123.117 -1.975 25376 3019 1 13 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.327 -0.203 25376 3020 1 13 . 1 1 51 51 GLU CA C 51 56.362 56.362 57.625 -1.263 25376 3021 1 13 . 1 1 51 51 GLU CB C 51 29.727 29.727 30.469 -0.742 25376 3022 1 13 . 1 1 51 51 GLU H H 51 8.140 8.140 8.925 -0.785 25376 3023 1 13 . 1 1 52 52 PHE N N 52 120.500 120.500 119.046 1.454 25376 3024 1 13 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.701 -0.186 25376 3025 1 13 . 1 1 52 52 PHE CA C 52 57.409 57.409 58.115 -0.706 25376 3026 1 13 . 1 1 52 52 PHE CB C 52 39.326 39.326 40.684 -1.358 25376 3027 1 13 . 1 1 52 52 PHE H H 52 8.106 8.106 7.764 0.342 25376 3028 1 13 . 1 1 53 53 GLN N N 53 121.616 121.616 125.076 -3.460 25376 3029 1 13 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.366 -0.154 25376 3030 1 13 . 1 1 53 53 GLN CA C 53 55.345 55.345 54.904 0.441 25376 3031 1 13 . 1 1 53 53 GLN CB C 53 29.357 29.357 26.857 2.500 25376 3032 1 13 . 1 1 53 53 GLN H H 53 8.047 8.047 8.106 -0.059 25376 3033 1 13 . 1 1 54 54 PHE N N 54 120.217 120.217 121.114 -0.897 25376 3034 1 13 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.588 0.060 25376 3035 1 13 . 1 1 54 54 PHE CA C 54 56.824 56.824 56.988 -0.164 25376 3036 1 13 . 1 1 54 54 PHE CB C 54 39.522 39.522 40.605 -1.083 25376 3037 1 13 . 1 1 54 54 PHE H H 54 7.956 7.956 7.638 0.318 25376 3038 1 13 . 1 1 55 55 LEU N N 55 123.391 123.391 124.816 -1.425 25376 3039 1 13 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.544 -0.158 25376 3040 1 13 . 1 1 55 55 LEU CA C 55 54.421 54.421 54.153 0.268 25376 3041 1 13 . 1 1 55 55 LEU CB C 55 43.024 43.024 42.428 0.595 25376 3042 1 13 . 1 1 55 55 LEU H H 55 8.567 8.567 8.501 0.066 25376 3043 1 13 . 1 1 56 56 ARG N N 56 120.442 120.442 119.062 1.380 25376 3044 1 13 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.612 -0.043 25376 3045 1 13 . 1 1 56 56 ARG CA C 56 54.553 54.553 55.066 -0.513 25376 3046 1 13 . 1 1 56 56 ARG CB C 56 31.817 31.817 31.444 0.373 25376 3047 1 13 . 1 1 56 56 ARG H H 56 8.101 8.101 8.145 -0.044 25376 3048 1 13 . 1 1 57 57 CYS N N 57 123.891 123.891 127.444 -3.553 25376 3049 1 13 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.300 -0.347 25376 3050 1 13 . 1 1 57 57 CYS CA C 57 59.135 59.135 59.734 -0.599 25376 3051 1 13 . 1 1 57 57 CYS CB C 57 31.290 31.290 28.092 3.198 25376 3052 1 13 . 1 1 57 57 CYS H H 57 8.828 8.828 8.459 0.369 25376 3053 1 13 . 1 1 58 58 GLN N N 58 128.172 128.172 127.090 1.082 25376 3054 1 13 . 1 1 58 58 GLN HA H 58 4.121 4.121 3.954 0.167 25376 3055 1 13 . 1 1 58 58 GLN CA C 58 58.528 58.528 57.383 1.145 25376 3056 1 13 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.007 1.943 25376 3057 1 13 . 1 1 58 58 GLN H H 58 9.222 9.222 8.310 0.912 25376 3058 1 13 . 1 1 59 59 GLN N N 59 121.709 121.709 115.373 6.336 25376 3059 1 13 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.330 0.259 25376 3060 1 13 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.624 -0.015 25376 3061 1 13 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.184 0.532 25376 3062 1 13 . 1 1 59 59 GLN H H 59 9.200 9.200 7.550 1.650 25376 3063 1 13 . 1 1 60 60 CYS N N 60 119.482 119.482 117.449 2.033 25376 3064 1 13 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.694 0.100 25376 3065 1 13 . 1 1 60 60 CYS CA C 60 59.458 59.458 59.471 -0.013 25376 3066 1 13 . 1 1 60 60 CYS CB C 60 32.179 32.179 27.969 4.210 25376 3067 1 13 . 1 1 60 60 CYS H H 60 8.566 8.566 7.628 0.938 25376 3068 1 13 . 1 1 61 61 GLN N N 61 115.153 115.153 115.141 0.012 25376 3069 1 13 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.936 0.217 25376 3070 1 13 . 1 1 61 61 GLN CA C 61 57.979 57.979 56.879 1.100 25376 3071 1 13 . 1 1 61 61 GLN CB C 61 25.342 25.342 25.637 -0.295 25376 3072 1 13 . 1 1 61 61 GLN H H 61 7.672 7.672 8.482 -0.810 25376 3073 1 13 . 1 1 62 62 ALA N N 62 124.669 124.669 119.202 5.467 25376 3074 1 13 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.638 -0.201 25376 3075 1 13 . 1 1 62 62 ALA CA C 62 52.064 52.064 51.242 0.822 25376 3076 1 13 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.392 -0.570 25376 3077 1 13 . 1 1 62 62 ALA H H 62 8.728 8.728 7.579 1.149 25376 3078 1 13 . 1 1 63 63 GLU N N 63 119.649 119.649 118.853 0.796 25376 3079 1 13 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.197 -0.160 25376 3080 1 13 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.447 -0.115 25376 3081 1 13 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.814 -0.552 25376 3082 1 13 . 1 1 63 63 GLU H H 63 8.523 8.523 8.463 0.060 25376 3083 1 13 . 1 1 64 64 ALA N N 64 128.762 128.762 128.770 -0.008 25376 3084 1 13 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.639 -0.253 25376 3085 1 13 . 1 1 64 64 ALA CA C 64 50.354 50.354 50.896 -0.542 25376 3086 1 13 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.660 -1.325 25376 3087 1 13 . 1 1 64 64 ALA H H 64 8.581 8.581 8.425 0.157 25376 3088 1 13 . 1 1 65 65 LYS N N 65 122.223 122.223 124.717 -2.494 25376 3089 1 13 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.269 -0.188 25376 3090 1 13 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.999 -1.944 25376 3091 1 13 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.856 -0.550 25376 3092 1 13 . 1 1 65 65 LYS H H 65 8.175 8.175 8.658 -0.483 25376 3093 1 13 . 1 1 66 66 CYS N N 66 117.296 117.296 117.797 -0.501 25376 3094 1 13 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.792 -0.100 25376 3095 1 13 . 1 1 66 66 CYS CA C 66 53.727 53.727 56.456 -2.729 25376 3096 1 13 . 1 1 66 66 CYS H H 66 8.790 8.790 8.339 0.451 25376 3097 1 13 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.615 -0.218 25376 3098 1 13 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.517 0.311 25376 3099 1 13 . 1 1 67 67 PRO CB C 67 31.785 31.785 32.416 -0.631 25376 3100 1 13 . 1 1 68 68 LYS N N 68 121.724 121.724 118.565 3.159 25376 3101 1 13 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.654 -0.369 25376 3102 1 13 . 1 1 68 68 LYS CA C 68 54.929 54.929 55.066 -0.137 25376 3103 1 13 . 1 1 68 68 LYS CB C 68 33.327 33.327 36.621 -3.294 25376 3104 1 13 . 1 1 68 68 LYS H H 68 8.662 8.662 8.230 0.432 25376 3105 1 13 . 1 1 69 69 LEU N N 69 125.851 125.851 123.662 2.189 25376 3106 1 13 . 1 1 69 69 LEU HA H 69 4.474 4.474 5.030 -0.556 25376 3107 1 13 . 1 1 69 69 LEU CA C 69 54.454 54.454 53.675 0.779 25376 3108 1 13 . 1 1 69 69 LEU CB C 69 41.720 41.720 41.266 0.454 25376 3109 1 13 . 1 1 69 69 LEU H H 69 8.320 8.320 8.593 -0.273 25376 3110 1 13 . 1 1 70 70 LEU N N 70 128.488 128.488 125.181 3.307 25376 3111 1 13 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.190 0.458 25376 3112 1 13 . 1 1 70 70 LEU CA C 70 53.127 53.127 54.846 -1.719 25376 3113 1 13 . 1 1 70 70 LEU CB C 70 42.832 42.832 41.666 1.166 25376 3114 1 13 . 1 1 70 70 LEU H H 70 8.677 8.677 7.785 0.892 25376 3115 1 13 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.367 -0.091 25376 3116 1 13 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.542 0.248 25376 3117 1 13 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.509 -0.049 25376 3118 1 13 . 1 1 72 72 CYS N N 72 112.135 112.135 115.320 -3.185 25376 3119 1 13 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.561 -0.287 25376 3120 1 13 . 1 1 72 72 CYS CA C 72 57.194 57.194 58.152 -0.958 25376 3121 1 13 . 1 1 72 72 CYS CB C 72 31.085 31.085 25.892 5.193 25376 3122 1 13 . 1 1 72 72 CYS H H 72 7.204 7.204 7.787 -0.583 25376 3123 1 13 . 1 1 73 73 LEU N N 73 114.341 114.341 116.172 -1.831 25376 3124 1 13 . 1 1 73 73 LEU HA H 73 3.868 3.868 4.121 -0.253 25376 3125 1 13 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.329 1.171 25376 3126 1 13 . 1 1 73 73 LEU CB C 73 37.671 37.671 38.932 -1.261 25376 3127 1 13 . 1 1 73 73 LEU H H 73 8.043 8.043 7.438 0.605 25376 3128 1 13 . 1 1 74 74 HIS N N 74 120.386 120.386 115.681 4.705 25376 3129 1 13 . 1 1 74 74 HIS HA H 74 4.990 4.990 5.081 -0.091 25376 3130 1 13 . 1 1 74 74 HIS CA C 74 58.672 58.672 53.542 5.130 25376 3131 1 13 . 1 1 74 74 HIS CB C 74 31.354 31.354 32.048 -0.694 25376 3132 1 13 . 1 1 74 74 HIS H H 74 7.831 7.831 7.309 0.522 25376 3133 1 13 . 1 1 75 75 THR N N 75 118.963 118.963 117.130 1.833 25376 3134 1 13 . 1 1 75 75 THR HA H 75 4.730 4.730 4.771 -0.041 25376 3135 1 13 . 1 1 75 75 THR CA C 75 62.185 62.185 62.392 -0.207 25376 3136 1 13 . 1 1 75 75 THR CB C 75 69.640 69.640 69.545 0.095 25376 3137 1 13 . 1 1 75 75 THR H H 75 8.889 8.889 8.320 0.569 25376 3138 1 13 . 1 1 76 76 LEU N N 76 128.330 128.330 126.863 1.467 25376 3139 1 13 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.956 0.977 25376 3140 1 13 . 1 1 76 76 LEU CA C 76 51.509 51.509 52.954 -1.445 25376 3141 1 13 . 1 1 76 76 LEU CB C 76 46.194 46.194 46.980 -0.786 25376 3142 1 13 . 1 1 76 76 LEU H H 76 8.767 8.767 8.046 0.721 25376 3143 1 13 . 1 1 77 77 CYS N N 77 119.360 119.360 116.128 3.232 25376 3144 1 13 . 1 1 77 77 CYS HA H 77 4.732 4.732 4.939 -0.207 25376 3145 1 13 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.776 0.094 25376 3146 1 13 . 1 1 77 77 CYS CB C 77 31.698 31.698 29.559 2.139 25376 3147 1 13 . 1 1 77 77 CYS H H 77 9.510 9.510 8.282 1.228 25376 3148 1 13 . 1 1 78 78 SER N N 78 114.841 114.841 118.748 -3.907 25376 3149 1 13 . 1 1 78 78 SER HA H 78 4.037 4.037 4.098 -0.061 25376 3150 1 13 . 1 1 78 78 SER CA C 78 61.756 61.756 62.001 -0.245 25376 3151 1 13 . 1 1 78 78 SER CB C 78 62.254 62.254 63.056 -0.802 25376 3152 1 13 . 1 1 78 78 SER H H 78 8.593 8.593 8.712 -0.119 25376 3153 1 13 . 1 1 79 79 GLY N N 79 111.904 111.904 107.778 4.126 25376 3154 1 13 . 1 1 79 79 GLY CA C 79 46.777 46.777 46.894 -0.117 25376 3155 1 13 . 1 1 79 79 GLY H H 79 8.391 8.391 8.521 -0.130 25376 3156 1 13 . 1 1 80 80 CYS N N 80 126.807 126.807 119.524 7.283 25376 3157 1 13 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.275 -0.321 25376 3158 1 13 . 1 1 80 80 CYS CA C 80 65.189 65.189 62.168 3.021 25376 3159 1 13 . 1 1 80 80 CYS CB C 80 28.846 28.846 26.102 2.744 25376 3160 1 13 . 1 1 80 80 CYS H H 80 9.039 9.039 7.846 1.193 25376 3161 1 13 . 1 1 81 81 LEU N N 81 120.440 120.440 121.558 -1.118 25376 3162 1 13 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.046 0.086 25376 3163 1 13 . 1 1 81 81 LEU CA C 81 57.443 57.443 57.940 -0.497 25376 3164 1 13 . 1 1 81 81 LEU CB C 81 41.782 41.782 40.861 0.921 25376 3165 1 13 . 1 1 81 81 LEU H H 81 8.109 8.109 8.072 0.037 25376 3166 1 13 . 1 1 82 82 GLU N N 82 120.149 120.149 119.337 0.812 25376 3167 1 13 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.129 -0.092 25376 3168 1 13 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.175 0.144 25376 3169 1 13 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.910 -0.983 25376 3170 1 13 . 1 1 82 82 GLU H H 82 8.432 8.432 7.932 0.500 25376 3171 1 13 . 1 1 83 83 ALA N N 83 120.334 120.334 123.103 -2.769 25376 3172 1 13 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.229 0.070 25376 3173 1 13 . 1 1 83 83 ALA CA C 83 53.543 53.543 54.630 -1.087 25376 3174 1 13 . 1 1 83 83 ALA CB C 83 18.334 18.334 18.787 -0.453 25376 3175 1 13 . 1 1 83 83 ALA H H 83 7.715 7.715 8.026 -0.311 25376 3176 1 13 . 1 1 84 84 SER N N 84 112.368 112.368 113.686 -1.318 25376 3177 1 13 . 1 1 84 84 SER HA H 84 4.494 4.494 4.445 0.049 25376 3178 1 13 . 1 1 84 84 SER CA C 84 58.210 58.210 58.041 0.169 25376 3179 1 13 . 1 1 84 84 SER CB C 84 63.837 63.837 63.338 0.499 25376 3180 1 13 . 1 1 84 84 SER H H 84 7.570 7.570 7.898 -0.328 25376 3181 1 13 . 1 1 85 85 GLY N N 85 110.612 110.612 109.697 0.915 25376 3182 1 13 . 1 1 85 85 GLY CA C 85 46.841 46.841 46.074 0.767 25376 3183 1 13 . 1 1 85 85 GLY H H 85 7.955 7.955 7.382 0.573 25376 3184 1 13 . 1 1 86 86 MET N N 86 113.856 113.856 113.252 0.604 25376 3185 1 13 . 1 1 86 86 MET HA H 86 3.804 3.804 3.970 -0.166 25376 3186 1 13 . 1 1 86 86 MET CA C 86 55.160 55.160 56.181 -1.021 25376 3187 1 13 . 1 1 86 86 MET CB C 86 28.494 28.494 29.938 -1.444 25376 3188 1 13 . 1 1 86 86 MET H H 86 8.489 8.489 8.180 0.309 25376 3189 1 13 . 1 1 87 87 GLN N N 87 116.394 116.394 117.523 -1.129 25376 3190 1 13 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.196 0.253 25376 3191 1 13 . 1 1 87 87 GLN CA C 87 53.404 53.404 57.599 -4.195 25376 3192 1 13 . 1 1 87 87 GLN CB C 87 30.964 30.964 29.944 1.020 25376 3193 1 13 . 1 1 87 87 GLN H H 87 7.188 7.188 7.647 -0.459 25376 3194 1 13 . 1 1 88 88 CYS N N 88 124.484 124.484 119.106 5.378 25376 3195 1 13 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.876 -0.576 25376 3196 1 13 . 1 1 88 88 CYS CA C 88 57.101 57.101 56.978 0.123 25376 3197 1 13 . 1 1 88 88 CYS CB C 88 31.117 31.117 26.928 4.189 25376 3198 1 13 . 1 1 88 88 CYS H H 88 8.616 8.616 8.671 -0.055 25376 3199 1 13 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.339 0.170 25376 3200 1 13 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.951 -1.236 25376 3201 1 13 . 1 1 89 89 PRO CB C 89 31.717 31.717 32.020 -0.303 25376 3202 1 13 . 1 1 90 90 ILE N N 90 123.484 123.484 118.869 4.615 25376 3203 1 13 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.792 -0.009 25376 3204 1 13 . 1 1 90 90 ILE CA C 90 62.878 62.878 61.995 0.883 25376 3205 1 13 . 1 1 90 90 ILE CB C 90 37.483 37.483 35.771 1.712 25376 3206 1 13 . 1 1 90 90 ILE H H 90 8.908 8.908 7.955 0.953 25376 3207 1 13 . 1 1 91 91 CYS N N 91 120.890 120.890 116.387 4.503 25376 3208 1 13 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.199 0.318 25376 3209 1 13 . 1 1 91 91 CYS CA C 91 60.891 60.891 60.800 0.091 25376 3210 1 13 . 1 1 91 91 CYS CB C 91 31.244 31.244 26.124 5.120 25376 3211 1 13 . 1 1 91 91 CYS H H 91 8.587 8.587 8.274 0.313 25376 3212 1 13 . 1 1 92 92 GLN N N 92 116.563 116.563 116.980 -0.417 25376 3213 1 13 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.385 -0.253 25376 3214 1 13 . 1 1 92 92 GLN CA C 92 56.824 56.824 55.958 0.866 25376 3215 1 13 . 1 1 92 92 GLN CB C 92 27.216 27.216 30.078 -2.861 25376 3216 1 13 . 1 1 92 92 GLN H H 92 7.787 7.787 7.640 0.147 25376 3217 1 13 . 1 1 93 93 ALA N N 93 125.273 125.273 122.809 2.464 25376 3218 1 13 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.453 0.108 25376 3219 1 13 . 1 1 93 93 ALA CA C 93 50.862 50.862 50.423 0.439 25376 3220 1 13 . 1 1 93 93 ALA CB C 93 18.415 18.415 18.834 -0.418 25376 3221 1 13 . 1 1 93 93 ALA H H 93 8.031 8.031 7.182 0.849 25376 3222 1 13 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.375 0.163 25376 3223 1 13 . 1 1 94 94 PRO CA C 94 62.513 62.513 63.269 -0.756 25376 3224 1 13 . 1 1 94 94 PRO CB C 94 31.684 31.684 32.154 -0.470 25376 3225 1 13 . 1 1 95 95 TRP N N 95 121.986 121.986 123.144 -1.158 25376 3226 1 13 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.552 0.490 25376 3227 1 13 . 1 1 95 95 TRP CA C 95 54.005 54.005 55.040 -1.035 25376 3228 1 13 . 1 1 95 95 TRP CB C 95 28.846 28.846 29.323 -0.477 25376 3229 1 13 . 1 1 95 95 TRP H H 95 8.012 8.012 7.978 0.034 25376 3230 1 13 . 1 1 96 96 PRO HA H 96 4.490 4.490 4.404 0.086 25376 3231 1 13 . 1 1 96 96 PRO CA C 96 62.900 62.900 62.320 0.580 25376 3232 1 13 . 1 1 96 96 PRO CB C 96 31.550 31.550 32.482 -0.932 25376 3233 1 13 . 1 1 97 97 LEU N N 97 122.075 122.075 122.271 -0.196 25376 3234 1 13 . 1 1 97 97 LEU HA H 97 4.299 4.299 4.015 0.284 25376 3235 1 13 . 1 1 97 97 LEU CA C 97 55.206 55.206 56.521 -1.315 25376 3236 1 13 . 1 1 97 97 LEU CB C 97 42.046 42.046 42.149 -0.103 25376 3237 1 13 . 1 1 97 97 LEU H H 97 8.224 8.224 8.336 -0.112 25376 3238 1 13 . 1 1 98 98 GLY N N 98 110.020 110.020 107.068 2.952 25376 3239 1 13 . 1 1 98 98 GLY CA C 98 45.085 45.085 44.823 0.262 25376 3240 1 13 . 1 1 98 98 GLY H H 98 8.444 8.444 8.885 -0.441 25376 3241 1 13 . 1 1 99 99 ALA N N 99 123.511 123.511 127.240 -3.729 25376 3242 1 13 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.665 -0.366 25376 3243 1 13 . 1 1 99 99 ALA CA C 99 52.249 52.249 51.465 0.784 25376 3244 1 13 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.714 -0.778 25376 3245 1 13 . 1 1 99 99 ALA H H 99 8.176 8.176 7.698 0.478 25376 3246 1 13 . 1 1 100 100 ASP N N 100 119.098 119.098 121.414 -2.316 25376 3247 1 13 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.993 -0.432 25376 3248 1 13 . 1 1 100 100 ASP CA C 100 53.912 53.912 53.781 0.131 25376 3249 1 13 . 1 1 100 100 ASP CB C 100 40.580 40.580 42.993 -2.413 25376 3250 1 13 . 1 1 100 100 ASP H H 100 8.383 8.383 8.431 -0.048 25376 3251 1 13 . 1 1 101 101 THR N N 101 116.696 116.696 114.952 1.744 25376 3252 1 13 . 1 1 101 101 THR HA H 101 4.517 4.517 4.816 -0.299 25376 3253 1 13 . 1 1 101 101 THR CA C 101 59.551 59.551 59.531 0.020 25376 3254 1 13 . 1 1 101 101 THR CB C 101 69.589 69.589 70.268 -0.679 25376 3255 1 13 . 1 1 101 101 THR H H 101 8.017 8.017 8.142 -0.125 25376 3256 1 13 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.430 -0.094 25376 3257 1 13 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.234 0.650 25376 3258 1 13 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.465 -0.698 25376 3259 1 13 . 1 1 103 103 ALA N N 103 125.184 125.184 123.615 1.569 25376 3260 1 13 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.315 -0.030 25376 3261 1 13 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.803 0.214 25376 3262 1 13 . 1 1 103 103 ALA CB C 103 18.974 18.974 18.088 0.886 25376 3263 1 13 . 1 1 103 103 ALA H H 103 8.333 8.333 8.222 0.111 25376 3264 1 14 . 1 1 50 50 GLU N N 50 120.583 120.583 122.447 -1.864 25376 3265 1 14 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.559 -0.391 25376 3266 1 14 . 1 1 50 50 GLU CA C 50 56.824 56.824 55.708 1.116 25376 3267 1 14 . 1 1 50 50 GLU CB C 50 29.718 29.718 31.117 -1.399 25376 3268 1 14 . 1 1 50 50 GLU H H 50 8.300 8.300 8.685 -0.385 25376 3269 1 14 . 1 1 51 51 GLU N N 51 121.142 121.142 119.352 1.790 25376 3270 1 14 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.297 -0.173 25376 3271 1 14 . 1 1 51 51 GLU CA C 51 56.362 56.362 58.022 -1.660 25376 3272 1 14 . 1 1 51 51 GLU CB C 51 29.727 29.727 30.186 -0.459 25376 3273 1 14 . 1 1 51 51 GLU H H 51 8.140 8.140 8.648 -0.508 25376 3274 1 14 . 1 1 52 52 PHE N N 52 120.500 120.500 117.676 2.824 25376 3275 1 14 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.678 -0.163 25376 3276 1 14 . 1 1 52 52 PHE CA C 52 57.409 57.409 58.056 -0.647 25376 3277 1 14 . 1 1 52 52 PHE CB C 52 39.326 39.326 41.740 -2.414 25376 3278 1 14 . 1 1 52 52 PHE H H 52 8.106 8.106 7.764 0.342 25376 3279 1 14 . 1 1 53 53 GLN N N 53 121.616 121.616 124.763 -3.147 25376 3280 1 14 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.447 -0.235 25376 3281 1 14 . 1 1 53 53 GLN CA C 53 55.345 55.345 55.067 0.278 25376 3282 1 14 . 1 1 53 53 GLN CB C 53 29.357 29.357 29.150 0.207 25376 3283 1 14 . 1 1 53 53 GLN H H 53 8.047 8.047 8.017 0.030 25376 3284 1 14 . 1 1 54 54 PHE N N 54 120.217 120.217 119.402 0.815 25376 3285 1 14 . 1 1 54 54 PHE HA H 54 4.648 4.648 5.212 -0.564 25376 3286 1 14 . 1 1 54 54 PHE CA C 54 56.824 56.824 55.692 1.132 25376 3287 1 14 . 1 1 54 54 PHE CB C 54 39.522 39.522 40.305 -0.783 25376 3288 1 14 . 1 1 54 54 PHE H H 54 7.956 7.956 7.644 0.312 25376 3289 1 14 . 1 1 55 55 LEU N N 55 123.391 123.391 121.514 1.877 25376 3290 1 14 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.624 -0.238 25376 3291 1 14 . 1 1 55 55 LEU CA C 55 54.421 54.421 54.196 0.225 25376 3292 1 14 . 1 1 55 55 LEU CB C 55 43.024 43.024 43.067 -0.043 25376 3293 1 14 . 1 1 55 55 LEU H H 55 8.567 8.567 8.774 -0.207 25376 3294 1 14 . 1 1 56 56 ARG N N 56 120.442 120.442 120.951 -0.509 25376 3295 1 14 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.733 -0.164 25376 3296 1 14 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.965 -0.412 25376 3297 1 14 . 1 1 56 56 ARG CB C 56 31.817 31.817 31.498 0.319 25376 3298 1 14 . 1 1 56 56 ARG H H 56 8.101 8.101 8.285 -0.184 25376 3299 1 14 . 1 1 57 57 CYS N N 57 123.891 123.891 127.428 -3.537 25376 3300 1 14 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.224 -0.271 25376 3301 1 14 . 1 1 57 57 CYS CA C 57 59.135 59.135 60.012 -0.877 25376 3302 1 14 . 1 1 57 57 CYS CB C 57 31.290 31.290 28.543 2.747 25376 3303 1 14 . 1 1 57 57 CYS H H 57 8.828 8.828 8.538 0.290 25376 3304 1 14 . 1 1 58 58 GLN N N 58 128.172 128.172 127.130 1.042 25376 3305 1 14 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.045 0.076 25376 3306 1 14 . 1 1 58 58 GLN CA C 58 58.528 58.528 57.552 0.976 25376 3307 1 14 . 1 1 58 58 GLN CB C 58 29.950 29.950 27.973 1.977 25376 3308 1 14 . 1 1 58 58 GLN H H 58 9.222 9.222 8.408 0.814 25376 3309 1 14 . 1 1 59 59 GLN N N 59 121.709 121.709 115.240 6.469 25376 3310 1 14 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.325 0.264 25376 3311 1 14 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.628 -0.019 25376 3312 1 14 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.084 0.633 25376 3313 1 14 . 1 1 59 59 GLN H H 59 9.200 9.200 7.549 1.651 25376 3314 1 14 . 1 1 60 60 CYS N N 60 119.482 119.482 117.427 2.055 25376 3315 1 14 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.688 0.106 25376 3316 1 14 . 1 1 60 60 CYS CA C 60 59.458 59.458 59.402 0.056 25376 3317 1 14 . 1 1 60 60 CYS CB C 60 32.179 32.179 27.841 4.338 25376 3318 1 14 . 1 1 60 60 CYS H H 60 8.566 8.566 7.599 0.967 25376 3319 1 14 . 1 1 61 61 GLN N N 61 115.153 115.153 115.086 0.067 25376 3320 1 14 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.950 0.203 25376 3321 1 14 . 1 1 61 61 GLN CA C 61 57.979 57.979 56.901 1.078 25376 3322 1 14 . 1 1 61 61 GLN CB C 61 25.342 25.342 25.630 -0.288 25376 3323 1 14 . 1 1 61 61 GLN H H 61 7.672 7.672 8.514 -0.842 25376 3324 1 14 . 1 1 62 62 ALA N N 62 124.669 124.669 119.239 5.430 25376 3325 1 14 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.671 -0.234 25376 3326 1 14 . 1 1 62 62 ALA CA C 62 52.064 52.064 51.252 0.812 25376 3327 1 14 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.403 -0.581 25376 3328 1 14 . 1 1 62 62 ALA H H 62 8.728 8.728 7.597 1.131 25376 3329 1 14 . 1 1 63 63 GLU N N 63 119.649 119.649 118.833 0.816 25376 3330 1 14 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.297 -0.260 25376 3331 1 14 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.517 -0.185 25376 3332 1 14 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.902 -0.640 25376 3333 1 14 . 1 1 63 63 GLU H H 63 8.523 8.523 8.529 -0.006 25376 3334 1 14 . 1 1 64 64 ALA N N 64 128.762 128.762 128.746 0.016 25376 3335 1 14 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.651 -0.265 25376 3336 1 14 . 1 1 64 64 ALA CA C 64 50.354 50.354 50.871 -0.517 25376 3337 1 14 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.706 -1.371 25376 3338 1 14 . 1 1 64 64 ALA H H 64 8.581 8.581 8.055 0.526 25376 3339 1 14 . 1 1 65 65 LYS N N 65 122.223 122.223 122.902 -0.679 25376 3340 1 14 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.126 -0.045 25376 3341 1 14 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.868 -1.813 25376 3342 1 14 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.822 -0.516 25376 3343 1 14 . 1 1 65 65 LYS H H 65 8.175 8.175 8.837 -0.662 25376 3344 1 14 . 1 1 66 66 CYS N N 66 117.296 117.296 118.893 -1.597 25376 3345 1 14 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.932 -0.240 25376 3346 1 14 . 1 1 66 66 CYS CA C 66 53.727 53.727 54.773 -1.046 25376 3347 1 14 . 1 1 66 66 CYS H H 66 8.790 8.790 8.134 0.656 25376 3348 1 14 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.731 -0.334 25376 3349 1 14 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.567 0.262 25376 3350 1 14 . 1 1 67 67 PRO CB C 67 31.785 31.785 32.471 -0.686 25376 3351 1 14 . 1 1 68 68 LYS N N 68 121.724 121.724 119.828 1.896 25376 3352 1 14 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.723 -0.438 25376 3353 1 14 . 1 1 68 68 LYS CA C 68 54.929 54.929 54.156 0.773 25376 3354 1 14 . 1 1 68 68 LYS CB C 68 33.327 33.327 36.097 -2.771 25376 3355 1 14 . 1 1 68 68 LYS H H 68 8.662 8.662 8.275 0.387 25376 3356 1 14 . 1 1 69 69 LEU N N 69 125.851 125.851 122.835 3.016 25376 3357 1 14 . 1 1 69 69 LEU HA H 69 4.474 4.474 4.737 -0.263 25376 3358 1 14 . 1 1 69 69 LEU CA C 69 54.454 54.454 54.117 0.337 25376 3359 1 14 . 1 1 69 69 LEU CB C 69 41.720 41.720 41.632 0.088 25376 3360 1 14 . 1 1 69 69 LEU H H 69 8.320 8.320 8.532 -0.212 25376 3361 1 14 . 1 1 70 70 LEU N N 70 128.488 128.488 126.950 1.538 25376 3362 1 14 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.279 0.369 25376 3363 1 14 . 1 1 70 70 LEU CA C 70 53.127 53.127 54.368 -1.241 25376 3364 1 14 . 1 1 70 70 LEU CB C 70 42.832 42.832 41.706 1.126 25376 3365 1 14 . 1 1 70 70 LEU H H 70 8.677 8.677 8.112 0.565 25376 3366 1 14 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.373 -0.097 25376 3367 1 14 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.287 0.503 25376 3368 1 14 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.836 -0.376 25376 3369 1 14 . 1 1 72 72 CYS N N 72 112.135 112.135 116.800 -4.665 25376 3370 1 14 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.545 -0.271 25376 3371 1 14 . 1 1 72 72 CYS CA C 72 57.194 57.194 60.080 -2.886 25376 3372 1 14 . 1 1 72 72 CYS CB C 72 31.085 31.085 29.009 2.076 25376 3373 1 14 . 1 1 72 72 CYS H H 72 7.204 7.204 8.489 -1.285 25376 3374 1 14 . 1 1 73 73 LEU N N 73 114.341 114.341 113.276 1.065 25376 3375 1 14 . 1 1 73 73 LEU HA H 73 3.868 3.868 4.515 -0.647 25376 3376 1 14 . 1 1 73 73 LEU CA C 73 56.500 56.500 54.991 1.509 25376 3377 1 14 . 1 1 73 73 LEU CB C 73 37.671 37.671 40.679 -3.008 25376 3378 1 14 . 1 1 73 73 LEU H H 73 8.043 8.043 8.015 0.028 25376 3379 1 14 . 1 1 74 74 HIS N N 74 120.386 120.386 117.711 2.675 25376 3380 1 14 . 1 1 74 74 HIS HA H 74 4.990 4.990 5.323 -0.333 25376 3381 1 14 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.075 4.597 25376 3382 1 14 . 1 1 74 74 HIS CB C 74 31.354 31.354 33.224 -1.870 25376 3383 1 14 . 1 1 74 74 HIS H H 74 7.831 7.831 7.885 -0.054 25376 3384 1 14 . 1 1 75 75 THR N N 75 118.963 118.963 116.491 2.472 25376 3385 1 14 . 1 1 75 75 THR HA H 75 4.730 4.730 4.976 -0.246 25376 3386 1 14 . 1 1 75 75 THR CA C 75 62.185 62.185 62.120 0.065 25376 3387 1 14 . 1 1 75 75 THR CB C 75 69.640 69.640 69.888 -0.248 25376 3388 1 14 . 1 1 75 75 THR H H 75 8.889 8.889 8.500 0.389 25376 3389 1 14 . 1 1 76 76 LEU N N 76 128.330 128.330 125.858 2.472 25376 3390 1 14 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.888 1.045 25376 3391 1 14 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.168 -1.659 25376 3392 1 14 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.194 -1.000 25376 3393 1 14 . 1 1 76 76 LEU H H 76 8.767 8.767 8.203 0.564 25376 3394 1 14 . 1 1 77 77 CYS N N 77 119.360 119.360 116.759 2.601 25376 3395 1 14 . 1 1 77 77 CYS HA H 77 4.732 4.732 4.965 -0.233 25376 3396 1 14 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.322 0.548 25376 3397 1 14 . 1 1 77 77 CYS CB C 77 31.698 31.698 29.143 2.555 25376 3398 1 14 . 1 1 77 77 CYS H H 77 9.510 9.510 8.301 1.209 25376 3399 1 14 . 1 1 78 78 SER N N 78 114.841 114.841 117.180 -2.339 25376 3400 1 14 . 1 1 78 78 SER HA H 78 4.037 4.037 4.230 -0.193 25376 3401 1 14 . 1 1 78 78 SER CA C 78 61.756 61.756 61.693 0.063 25376 3402 1 14 . 1 1 78 78 SER CB C 78 62.254 62.254 63.321 -1.067 25376 3403 1 14 . 1 1 78 78 SER H H 78 8.593 8.593 8.449 0.144 25376 3404 1 14 . 1 1 79 79 GLY N N 79 111.904 111.904 108.368 3.536 25376 3405 1 14 . 1 1 79 79 GLY CA C 79 46.777 46.777 46.705 0.072 25376 3406 1 14 . 1 1 79 79 GLY H H 79 8.391 8.391 8.528 -0.137 25376 3407 1 14 . 1 1 80 80 CYS N N 80 126.807 126.807 119.976 6.831 25376 3408 1 14 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.489 -0.535 25376 3409 1 14 . 1 1 80 80 CYS CA C 80 65.189 65.189 61.448 3.741 25376 3410 1 14 . 1 1 80 80 CYS CB C 80 28.846 28.846 26.025 2.821 25376 3411 1 14 . 1 1 80 80 CYS H H 80 9.039 9.039 7.701 1.338 25376 3412 1 14 . 1 1 81 81 LEU N N 81 120.440 120.440 121.382 -0.942 25376 3413 1 14 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.046 0.086 25376 3414 1 14 . 1 1 81 81 LEU CA C 81 57.443 57.443 57.846 -0.403 25376 3415 1 14 . 1 1 81 81 LEU CB C 81 41.782 41.782 40.811 0.971 25376 3416 1 14 . 1 1 81 81 LEU H H 81 8.109 8.109 8.015 0.094 25376 3417 1 14 . 1 1 82 82 GLU N N 82 120.149 120.149 119.574 0.575 25376 3418 1 14 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.126 -0.089 25376 3419 1 14 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.289 0.029 25376 3420 1 14 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.875 -0.948 25376 3421 1 14 . 1 1 82 82 GLU H H 82 8.432 8.432 8.030 0.402 25376 3422 1 14 . 1 1 83 83 ALA N N 83 120.334 120.334 123.278 -2.944 25376 3423 1 14 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.195 0.104 25376 3424 1 14 . 1 1 83 83 ALA CA C 83 53.543 53.543 54.723 -1.180 25376 3425 1 14 . 1 1 83 83 ALA CB C 83 18.334 18.334 18.692 -0.358 25376 3426 1 14 . 1 1 83 83 ALA H H 83 7.715 7.715 8.125 -0.410 25376 3427 1 14 . 1 1 84 84 SER N N 84 112.368 112.368 113.514 -1.146 25376 3428 1 14 . 1 1 84 84 SER HA H 84 4.494 4.494 4.466 0.028 25376 3429 1 14 . 1 1 84 84 SER CA C 84 58.210 58.210 57.711 0.499 25376 3430 1 14 . 1 1 84 84 SER CB C 84 63.837 63.837 63.609 0.228 25376 3431 1 14 . 1 1 84 84 SER H H 84 7.570 7.570 7.872 -0.302 25376 3432 1 14 . 1 1 85 85 GLY N N 85 110.612 110.612 110.353 0.259 25376 3433 1 14 . 1 1 85 85 GLY CA C 85 46.841 46.841 46.101 0.740 25376 3434 1 14 . 1 1 85 85 GLY H H 85 7.955 7.955 7.550 0.406 25376 3435 1 14 . 1 1 86 86 MET N N 86 113.856 113.856 112.828 1.028 25376 3436 1 14 . 1 1 86 86 MET HA H 86 3.804 3.804 3.964 -0.160 25376 3437 1 14 . 1 1 86 86 MET CA C 86 55.160 55.160 56.214 -1.054 25376 3438 1 14 . 1 1 86 86 MET CB C 86 28.494 28.494 29.743 -1.249 25376 3439 1 14 . 1 1 86 86 MET H H 86 8.489 8.489 8.174 0.315 25376 3440 1 14 . 1 1 87 87 GLN N N 87 116.394 116.394 118.430 -2.036 25376 3441 1 14 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.198 0.251 25376 3442 1 14 . 1 1 87 87 GLN CA C 87 53.404 53.404 57.245 -3.841 25376 3443 1 14 . 1 1 87 87 GLN CB C 87 30.964 30.964 30.189 0.775 25376 3444 1 14 . 1 1 87 87 GLN H H 87 7.188 7.188 7.829 -0.641 25376 3445 1 14 . 1 1 88 88 CYS N N 88 124.484 124.484 117.689 6.795 25376 3446 1 14 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.715 -0.415 25376 3447 1 14 . 1 1 88 88 CYS CA C 88 57.101 57.101 56.450 0.651 25376 3448 1 14 . 1 1 88 88 CYS CB C 88 31.117 31.117 26.640 4.478 25376 3449 1 14 . 1 1 88 88 CYS H H 88 8.616 8.616 8.464 0.152 25376 3450 1 14 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.282 0.227 25376 3451 1 14 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.907 -1.192 25376 3452 1 14 . 1 1 89 89 PRO CB C 89 31.717 31.717 32.128 -0.411 25376 3453 1 14 . 1 1 90 90 ILE N N 90 123.484 123.484 116.761 6.723 25376 3454 1 14 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.783 -0.000 25376 3455 1 14 . 1 1 90 90 ILE CA C 90 62.878 62.878 61.500 1.378 25376 3456 1 14 . 1 1 90 90 ILE CB C 90 37.483 37.483 35.901 1.582 25376 3457 1 14 . 1 1 90 90 ILE H H 90 8.908 8.908 7.882 1.026 25376 3458 1 14 . 1 1 91 91 CYS N N 91 120.890 120.890 118.074 2.816 25376 3459 1 14 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.160 0.357 25376 3460 1 14 . 1 1 91 91 CYS CA C 91 60.891 60.891 60.966 -0.075 25376 3461 1 14 . 1 1 91 91 CYS CB C 91 31.244 31.244 25.689 5.556 25376 3462 1 14 . 1 1 91 91 CYS H H 91 8.587 8.587 7.513 1.074 25376 3463 1 14 . 1 1 92 92 GLN N N 92 116.563 116.563 118.938 -2.375 25376 3464 1 14 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.325 -0.193 25376 3465 1 14 . 1 1 92 92 GLN CA C 92 56.824 56.824 56.567 0.257 25376 3466 1 14 . 1 1 92 92 GLN CB C 92 27.216 27.216 29.016 -1.800 25376 3467 1 14 . 1 1 92 92 GLN H H 92 7.787 7.787 7.927 -0.140 25376 3468 1 14 . 1 1 93 93 ALA N N 93 125.273 125.273 124.055 1.218 25376 3469 1 14 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.779 -0.218 25376 3470 1 14 . 1 1 93 93 ALA CA C 93 50.862 50.862 49.183 1.679 25376 3471 1 14 . 1 1 93 93 ALA CB C 93 18.415 18.415 19.204 -0.789 25376 3472 1 14 . 1 1 93 93 ALA H H 93 8.031 8.031 7.453 0.578 25376 3473 1 14 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.618 -0.080 25376 3474 1 14 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.415 0.098 25376 3475 1 14 . 1 1 94 94 PRO CB C 94 31.684 31.684 30.021 1.663 25376 3476 1 14 . 1 1 95 95 TRP N N 95 121.986 121.986 124.683 -2.697 25376 3477 1 14 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.765 0.277 25376 3478 1 14 . 1 1 95 95 TRP CA C 95 54.005 54.005 54.175 -0.169 25376 3479 1 14 . 1 1 95 95 TRP CB C 95 28.846 28.846 28.101 0.745 25376 3480 1 14 . 1 1 95 95 TRP H H 95 8.012 8.012 8.493 -0.481 25376 3481 1 14 . 1 1 96 96 PRO HA H 96 4.490 4.490 4.154 0.336 25376 3482 1 14 . 1 1 96 96 PRO CA C 96 62.900 62.900 62.567 0.333 25376 3483 1 14 . 1 1 96 96 PRO CB C 96 31.550 31.550 31.734 -0.184 25376 3484 1 14 . 1 1 97 97 LEU N N 97 122.075 122.075 123.721 -1.646 25376 3485 1 14 . 1 1 97 97 LEU HA H 97 4.299 4.299 3.236 1.063 25376 3486 1 14 . 1 1 97 97 LEU CA C 97 55.206 55.206 54.917 0.289 25376 3487 1 14 . 1 1 97 97 LEU CB C 97 42.046 42.046 42.065 -0.019 25376 3488 1 14 . 1 1 97 97 LEU H H 97 8.224 8.224 7.902 0.322 25376 3489 1 14 . 1 1 98 98 GLY N N 98 110.020 110.020 108.031 1.989 25376 3490 1 14 . 1 1 98 98 GLY CA C 98 45.085 45.085 45.862 -0.777 25376 3491 1 14 . 1 1 98 98 GLY H H 98 8.444 8.444 8.290 0.154 25376 3492 1 14 . 1 1 99 99 ALA N N 99 123.511 123.511 126.291 -2.780 25376 3493 1 14 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.649 -0.350 25376 3494 1 14 . 1 1 99 99 ALA CA C 99 52.249 52.249 51.582 0.667 25376 3495 1 14 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.263 -0.327 25376 3496 1 14 . 1 1 99 99 ALA H H 99 8.176 8.176 8.241 -0.065 25376 3497 1 14 . 1 1 100 100 ASP N N 100 119.098 119.098 124.834 -5.736 25376 3498 1 14 . 1 1 100 100 ASP HA H 100 4.561 4.561 5.016 -0.455 25376 3499 1 14 . 1 1 100 100 ASP CA C 100 53.912 53.912 54.107 -0.195 25376 3500 1 14 . 1 1 100 100 ASP CB C 100 40.580 40.580 42.027 -1.447 25376 3501 1 14 . 1 1 100 100 ASP H H 100 8.383 8.383 8.609 -0.226 25376 3502 1 14 . 1 1 101 101 THR N N 101 116.696 116.696 116.019 0.677 25376 3503 1 14 . 1 1 101 101 THR HA H 101 4.517 4.517 4.682 -0.165 25376 3504 1 14 . 1 1 101 101 THR CA C 101 59.551 59.551 58.906 0.645 25376 3505 1 14 . 1 1 101 101 THR CB C 101 69.589 69.589 70.829 -1.240 25376 3506 1 14 . 1 1 101 101 THR H H 101 8.017 8.017 8.057 -0.040 25376 3507 1 14 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.472 -0.136 25376 3508 1 14 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.394 0.490 25376 3509 1 14 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.456 -0.689 25376 3510 1 14 . 1 1 103 103 ALA N N 103 125.184 125.184 121.955 3.229 25376 3511 1 14 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.452 -0.167 25376 3512 1 14 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.350 0.667 25376 3513 1 14 . 1 1 103 103 ALA CB C 103 18.974 18.974 20.189 -1.215 25376 3514 1 14 . 1 1 103 103 ALA H H 103 8.333 8.333 8.165 0.168 25376 3515 1 15 . 1 1 50 50 GLU N N 50 120.583 120.583 121.953 -1.370 25376 3516 1 15 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.481 -0.313 25376 3517 1 15 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.373 0.451 25376 3518 1 15 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.694 -0.976 25376 3519 1 15 . 1 1 50 50 GLU H H 50 8.300 8.300 8.440 -0.140 25376 3520 1 15 . 1 1 51 51 GLU N N 51 121.142 121.142 123.155 -2.013 25376 3521 1 15 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.185 -0.061 25376 3522 1 15 . 1 1 51 51 GLU CA C 51 56.362 56.362 55.680 0.682 25376 3523 1 15 . 1 1 51 51 GLU CB C 51 29.727 29.727 29.670 0.057 25376 3524 1 15 . 1 1 51 51 GLU H H 51 8.140 8.140 8.416 -0.276 25376 3525 1 15 . 1 1 52 52 PHE N N 52 120.500 120.500 117.683 2.817 25376 3526 1 15 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.379 0.136 25376 3527 1 15 . 1 1 52 52 PHE CA C 52 57.409 57.409 58.545 -1.136 25376 3528 1 15 . 1 1 52 52 PHE CB C 52 39.326 39.326 39.316 0.011 25376 3529 1 15 . 1 1 52 52 PHE H H 52 8.106 8.106 7.759 0.347 25376 3530 1 15 . 1 1 53 53 GLN N N 53 121.616 121.616 119.586 2.030 25376 3531 1 15 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.569 -0.357 25376 3532 1 15 . 1 1 53 53 GLN CA C 53 55.345 55.345 54.981 0.364 25376 3533 1 15 . 1 1 53 53 GLN CB C 53 29.357 29.357 27.810 1.547 25376 3534 1 15 . 1 1 53 53 GLN H H 53 8.047 8.047 8.826 -0.779 25376 3535 1 15 . 1 1 54 54 PHE N N 54 120.217 120.217 119.772 0.445 25376 3536 1 15 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.783 -0.135 25376 3537 1 15 . 1 1 54 54 PHE CA C 54 56.824 56.824 57.642 -0.819 25376 3538 1 15 . 1 1 54 54 PHE CB C 54 39.522 39.522 42.040 -2.518 25376 3539 1 15 . 1 1 54 54 PHE H H 54 7.956 7.956 8.134 -0.178 25376 3540 1 15 . 1 1 55 55 LEU N N 55 123.391 123.391 121.820 1.571 25376 3541 1 15 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.918 -0.532 25376 3542 1 15 . 1 1 55 55 LEU CA C 55 54.421 54.421 53.741 0.680 25376 3543 1 15 . 1 1 55 55 LEU CB C 55 43.024 43.024 43.872 -0.848 25376 3544 1 15 . 1 1 55 55 LEU H H 55 8.567 8.567 9.077 -0.510 25376 3545 1 15 . 1 1 56 56 ARG N N 56 120.442 120.442 120.112 0.330 25376 3546 1 15 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.749 -0.180 25376 3547 1 15 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.803 -0.250 25376 3548 1 15 . 1 1 56 56 ARG CB C 56 31.817 31.817 31.701 0.116 25376 3549 1 15 . 1 1 56 56 ARG H H 56 8.101 8.101 8.181 -0.080 25376 3550 1 15 . 1 1 57 57 CYS N N 57 123.891 123.891 127.495 -3.604 25376 3551 1 15 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.370 -0.417 25376 3552 1 15 . 1 1 57 57 CYS CA C 57 59.135 59.135 60.521 -1.386 25376 3553 1 15 . 1 1 57 57 CYS CB C 57 31.290 31.290 28.612 2.678 25376 3554 1 15 . 1 1 57 57 CYS H H 57 8.828 8.828 8.890 -0.062 25376 3555 1 15 . 1 1 58 58 GLN N N 58 128.172 128.172 127.672 0.500 25376 3556 1 15 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.092 0.029 25376 3557 1 15 . 1 1 58 58 GLN CA C 58 58.528 58.528 57.815 0.713 25376 3558 1 15 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.326 1.624 25376 3559 1 15 . 1 1 58 58 GLN H H 58 9.222 9.222 8.705 0.517 25376 3560 1 15 . 1 1 59 59 GLN N N 59 121.709 121.709 115.098 6.611 25376 3561 1 15 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.372 0.217 25376 3562 1 15 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.575 0.034 25376 3563 1 15 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.230 0.487 25376 3564 1 15 . 1 1 59 59 GLN H H 59 9.200 9.200 7.586 1.614 25376 3565 1 15 . 1 1 60 60 CYS N N 60 119.482 119.482 117.651 1.831 25376 3566 1 15 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.736 0.058 25376 3567 1 15 . 1 1 60 60 CYS CA C 60 59.458 59.458 58.896 0.562 25376 3568 1 15 . 1 1 60 60 CYS CB C 60 32.179 32.179 27.884 4.295 25376 3569 1 15 . 1 1 60 60 CYS H H 60 8.566 8.566 7.876 0.690 25376 3570 1 15 . 1 1 61 61 GLN N N 61 115.153 115.153 116.672 -1.519 25376 3571 1 15 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.998 0.155 25376 3572 1 15 . 1 1 61 61 GLN CA C 61 57.979 57.979 56.849 1.130 25376 3573 1 15 . 1 1 61 61 GLN CB C 61 25.342 25.342 25.794 -0.452 25376 3574 1 15 . 1 1 61 61 GLN H H 61 7.672 7.672 8.294 -0.622 25376 3575 1 15 . 1 1 62 62 ALA N N 62 124.669 124.669 118.954 5.715 25376 3576 1 15 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.634 -0.197 25376 3577 1 15 . 1 1 62 62 ALA CA C 62 52.064 52.064 50.758 1.306 25376 3578 1 15 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.718 -0.896 25376 3579 1 15 . 1 1 62 62 ALA H H 62 8.728 8.728 7.443 1.285 25376 3580 1 15 . 1 1 63 63 GLU N N 63 119.649 119.649 119.569 0.080 25376 3581 1 15 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.276 -0.239 25376 3582 1 15 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.158 0.174 25376 3583 1 15 . 1 1 63 63 GLU CB C 63 29.262 29.262 30.184 -0.922 25376 3584 1 15 . 1 1 63 63 GLU H H 63 8.523 8.523 8.511 0.012 25376 3585 1 15 . 1 1 64 64 ALA N N 64 128.762 128.762 129.130 -0.368 25376 3586 1 15 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.731 -0.344 25376 3587 1 15 . 1 1 64 64 ALA CA C 64 50.354 50.354 50.880 -0.526 25376 3588 1 15 . 1 1 64 64 ALA CB C 64 18.335 18.335 20.093 -1.758 25376 3589 1 15 . 1 1 64 64 ALA H H 64 8.581 8.581 8.233 0.348 25376 3590 1 15 . 1 1 65 65 LYS N N 65 122.223 122.223 124.606 -2.383 25376 3591 1 15 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.328 -0.247 25376 3592 1 15 . 1 1 65 65 LYS CA C 65 57.055 57.055 59.290 -2.235 25376 3593 1 15 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.972 -0.666 25376 3594 1 15 . 1 1 65 65 LYS H H 65 8.175 8.175 8.757 -0.582 25376 3595 1 15 . 1 1 66 66 CYS N N 66 117.296 117.296 118.423 -1.127 25376 3596 1 15 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.809 -0.117 25376 3597 1 15 . 1 1 66 66 CYS CA C 66 53.727 53.727 55.898 -2.171 25376 3598 1 15 . 1 1 66 66 CYS H H 66 8.790 8.790 8.049 0.741 25376 3599 1 15 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.652 -0.255 25376 3600 1 15 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.770 0.058 25376 3601 1 15 . 1 1 67 67 PRO CB C 67 31.785 31.785 32.388 -0.603 25376 3602 1 15 . 1 1 68 68 LYS N N 68 121.724 121.724 119.307 2.417 25376 3603 1 15 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.700 -0.415 25376 3604 1 15 . 1 1 68 68 LYS CA C 68 54.929 54.929 54.543 0.386 25376 3605 1 15 . 1 1 68 68 LYS CB C 68 33.327 33.327 36.367 -3.040 25376 3606 1 15 . 1 1 68 68 LYS H H 68 8.662 8.662 8.371 0.291 25376 3607 1 15 . 1 1 69 69 LEU N N 69 125.851 125.851 123.732 2.119 25376 3608 1 15 . 1 1 69 69 LEU HA H 69 4.474 4.474 4.816 -0.342 25376 3609 1 15 . 1 1 69 69 LEU CA C 69 54.454 54.454 53.883 0.570 25376 3610 1 15 . 1 1 69 69 LEU CB C 69 41.720 41.720 42.439 -0.719 25376 3611 1 15 . 1 1 69 69 LEU H H 69 8.320 8.320 8.565 -0.245 25376 3612 1 15 . 1 1 70 70 LEU N N 70 128.488 128.488 126.709 1.779 25376 3613 1 15 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.361 0.287 25376 3614 1 15 . 1 1 70 70 LEU CA C 70 53.127 53.127 53.613 -0.486 25376 3615 1 15 . 1 1 70 70 LEU CB C 70 42.832 42.832 41.065 1.767 25376 3616 1 15 . 1 1 70 70 LEU H H 70 8.677 8.677 8.116 0.561 25376 3617 1 15 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.380 -0.104 25376 3618 1 15 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.103 0.687 25376 3619 1 15 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.914 -0.454 25376 3620 1 15 . 1 1 72 72 CYS N N 72 112.135 112.135 116.772 -4.637 25376 3621 1 15 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.460 -0.186 25376 3622 1 15 . 1 1 72 72 CYS CA C 72 57.194 57.194 60.040 -2.846 25376 3623 1 15 . 1 1 72 72 CYS CB C 72 31.085 31.085 28.840 2.245 25376 3624 1 15 . 1 1 72 72 CYS H H 72 7.204 7.204 8.402 -1.198 25376 3625 1 15 . 1 1 73 73 LEU N N 73 114.341 114.341 112.949 1.392 25376 3626 1 15 . 1 1 73 73 LEU HA H 73 3.868 3.868 4.363 -0.495 25376 3627 1 15 . 1 1 73 73 LEU CA C 73 56.500 56.500 54.981 1.519 25376 3628 1 15 . 1 1 73 73 LEU CB C 73 37.671 37.671 40.688 -3.017 25376 3629 1 15 . 1 1 73 73 LEU H H 73 8.043 8.043 7.747 0.296 25376 3630 1 15 . 1 1 74 74 HIS N N 74 120.386 120.386 116.555 3.831 25376 3631 1 15 . 1 1 74 74 HIS HA H 74 4.990 4.990 5.350 -0.360 25376 3632 1 15 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.545 4.127 25376 3633 1 15 . 1 1 74 74 HIS CB C 74 31.354 31.354 33.627 -2.273 25376 3634 1 15 . 1 1 74 74 HIS H H 74 7.831 7.831 7.799 0.032 25376 3635 1 15 . 1 1 75 75 THR N N 75 118.963 118.963 116.133 2.830 25376 3636 1 15 . 1 1 75 75 THR HA H 75 4.730 4.730 5.099 -0.369 25376 3637 1 15 . 1 1 75 75 THR CA C 75 62.185 62.185 62.010 0.175 25376 3638 1 15 . 1 1 75 75 THR CB C 75 69.640 69.640 70.996 -1.356 25376 3639 1 15 . 1 1 75 75 THR H H 75 8.889 8.889 8.534 0.355 25376 3640 1 15 . 1 1 76 76 LEU N N 76 128.330 128.330 125.180 3.150 25376 3641 1 15 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.886 1.047 25376 3642 1 15 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.178 -1.669 25376 3643 1 15 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.278 -1.084 25376 3644 1 15 . 1 1 76 76 LEU H H 76 8.767 8.767 8.545 0.222 25376 3645 1 15 . 1 1 77 77 CYS N N 77 119.360 119.360 116.802 2.558 25376 3646 1 15 . 1 1 77 77 CYS HA H 77 4.732 4.732 4.994 -0.262 25376 3647 1 15 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.325 0.545 25376 3648 1 15 . 1 1 77 77 CYS CB C 77 31.698 31.698 29.177 2.521 25376 3649 1 15 . 1 1 77 77 CYS H H 77 9.510 9.510 8.360 1.150 25376 3650 1 15 . 1 1 78 78 SER N N 78 114.841 114.841 117.348 -2.507 25376 3651 1 15 . 1 1 78 78 SER HA H 78 4.037 4.037 4.238 -0.201 25376 3652 1 15 . 1 1 78 78 SER CA C 78 61.756 61.756 61.742 0.014 25376 3653 1 15 . 1 1 78 78 SER CB C 78 62.254 62.254 63.261 -1.007 25376 3654 1 15 . 1 1 78 78 SER H H 78 8.593 8.593 8.500 0.093 25376 3655 1 15 . 1 1 79 79 GLY N N 79 111.904 111.904 108.358 3.546 25376 3656 1 15 . 1 1 79 79 GLY CA C 79 46.777 46.777 46.696 0.081 25376 3657 1 15 . 1 1 79 79 GLY H H 79 8.391 8.391 8.562 -0.171 25376 3658 1 15 . 1 1 80 80 CYS N N 80 126.807 126.807 119.259 7.548 25376 3659 1 15 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.283 -0.329 25376 3660 1 15 . 1 1 80 80 CYS CA C 80 65.189 65.189 62.136 3.053 25376 3661 1 15 . 1 1 80 80 CYS CB C 80 28.846 28.846 26.091 2.755 25376 3662 1 15 . 1 1 80 80 CYS H H 80 9.039 9.039 7.694 1.345 25376 3663 1 15 . 1 1 81 81 LEU N N 81 120.440 120.440 121.585 -1.145 25376 3664 1 15 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.054 0.078 25376 3665 1 15 . 1 1 81 81 LEU CA C 81 57.443 57.443 57.797 -0.354 25376 3666 1 15 . 1 1 81 81 LEU CB C 81 41.782 41.782 40.732 1.050 25376 3667 1 15 . 1 1 81 81 LEU H H 81 8.109 8.109 8.020 0.089 25376 3668 1 15 . 1 1 82 82 GLU N N 82 120.149 120.149 119.353 0.796 25376 3669 1 15 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.148 -0.111 25376 3670 1 15 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.309 0.010 25376 3671 1 15 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.900 -0.973 25376 3672 1 15 . 1 1 82 82 GLU H H 82 8.432 8.432 7.932 0.500 25376 3673 1 15 . 1 1 83 83 ALA N N 83 120.334 120.334 123.564 -3.230 25376 3674 1 15 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.209 0.090 25376 3675 1 15 . 1 1 83 83 ALA CA C 83 53.543 53.543 54.611 -1.068 25376 3676 1 15 . 1 1 83 83 ALA CB C 83 18.334 18.334 18.674 -0.340 25376 3677 1 15 . 1 1 83 83 ALA H H 83 7.715 7.715 8.100 -0.385 25376 3678 1 15 . 1 1 84 84 SER N N 84 112.368 112.368 113.342 -0.974 25376 3679 1 15 . 1 1 84 84 SER HA H 84 4.494 4.494 4.513 -0.019 25376 3680 1 15 . 1 1 84 84 SER CA C 84 58.210 58.210 57.467 0.743 25376 3681 1 15 . 1 1 84 84 SER CB C 84 63.837 63.837 63.221 0.616 25376 3682 1 15 . 1 1 84 84 SER H H 84 7.570 7.570 7.861 -0.291 25376 3683 1 15 . 1 1 85 85 GLY N N 85 110.612 110.612 110.046 0.566 25376 3684 1 15 . 1 1 85 85 GLY CA C 85 46.841 46.841 46.110 0.731 25376 3685 1 15 . 1 1 85 85 GLY H H 85 7.955 7.955 7.505 0.450 25376 3686 1 15 . 1 1 86 86 MET N N 86 113.856 113.856 112.903 0.953 25376 3687 1 15 . 1 1 86 86 MET HA H 86 3.804 3.804 3.992 -0.188 25376 3688 1 15 . 1 1 86 86 MET CA C 86 55.160 55.160 56.253 -1.093 25376 3689 1 15 . 1 1 86 86 MET CB C 86 28.494 28.494 29.617 -1.123 25376 3690 1 15 . 1 1 86 86 MET H H 86 8.489 8.489 8.221 0.268 25376 3691 1 15 . 1 1 87 87 GLN N N 87 116.394 116.394 117.485 -1.091 25376 3692 1 15 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.172 0.277 25376 3693 1 15 . 1 1 87 87 GLN CA C 87 53.404 53.404 57.651 -4.247 25376 3694 1 15 . 1 1 87 87 GLN CB C 87 30.964 30.964 30.227 0.737 25376 3695 1 15 . 1 1 87 87 GLN H H 87 7.188 7.188 7.723 -0.535 25376 3696 1 15 . 1 1 88 88 CYS N N 88 124.484 124.484 118.438 6.046 25376 3697 1 15 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.797 -0.497 25376 3698 1 15 . 1 1 88 88 CYS CA C 88 57.101 57.101 56.593 0.508 25376 3699 1 15 . 1 1 88 88 CYS CB C 88 31.117 31.117 27.200 3.917 25376 3700 1 15 . 1 1 88 88 CYS H H 88 8.616 8.616 8.642 -0.026 25376 3701 1 15 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.449 0.060 25376 3702 1 15 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.682 -0.967 25376 3703 1 15 . 1 1 89 89 PRO CB C 89 31.717 31.717 31.832 -0.115 25376 3704 1 15 . 1 1 90 90 ILE N N 90 123.484 123.484 117.085 6.399 25376 3705 1 15 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.838 -0.055 25376 3706 1 15 . 1 1 90 90 ILE CA C 90 62.878 62.878 61.528 1.350 25376 3707 1 15 . 1 1 90 90 ILE CB C 90 37.483 37.483 35.798 1.685 25376 3708 1 15 . 1 1 90 90 ILE H H 90 8.908 8.908 8.120 0.788 25376 3709 1 15 . 1 1 91 91 CYS N N 91 120.890 120.890 117.801 3.089 25376 3710 1 15 . 1 1 91 91 CYS HA H 91 4.517 4.517 3.949 0.568 25376 3711 1 15 . 1 1 91 91 CYS CA C 91 60.891 60.891 60.792 0.099 25376 3712 1 15 . 1 1 91 91 CYS CB C 91 31.244 31.244 25.680 5.564 25376 3713 1 15 . 1 1 91 91 CYS H H 91 8.587 8.587 7.428 1.159 25376 3714 1 15 . 1 1 92 92 GLN N N 92 116.563 116.563 117.919 -1.356 25376 3715 1 15 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.150 -0.018 25376 3716 1 15 . 1 1 92 92 GLN CA C 92 56.824 56.824 57.273 -0.449 25376 3717 1 15 . 1 1 92 92 GLN CB C 92 27.216 27.216 28.969 -1.753 25376 3718 1 15 . 1 1 92 92 GLN H H 92 7.787 7.787 7.467 0.320 25376 3719 1 15 . 1 1 93 93 ALA N N 93 125.273 125.273 123.105 2.168 25376 3720 1 15 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.741 -0.180 25376 3721 1 15 . 1 1 93 93 ALA CA C 93 50.862 50.862 48.981 1.881 25376 3722 1 15 . 1 1 93 93 ALA CB C 93 18.415 18.415 19.140 -0.725 25376 3723 1 15 . 1 1 93 93 ALA H H 93 8.031 8.031 7.799 0.232 25376 3724 1 15 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.626 -0.088 25376 3725 1 15 . 1 1 94 94 PRO CA C 94 62.513 62.513 63.062 -0.548 25376 3726 1 15 . 1 1 94 94 PRO CB C 94 31.684 31.684 30.612 1.072 25376 3727 1 15 . 1 1 95 95 TRP N N 95 121.986 121.986 126.696 -4.710 25376 3728 1 15 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.995 0.047 25376 3729 1 15 . 1 1 95 95 TRP CA C 95 54.005 54.005 53.904 0.101 25376 3730 1 15 . 1 1 95 95 TRP CB C 95 28.846 28.846 28.968 -0.122 25376 3731 1 15 . 1 1 95 95 TRP H H 95 8.012 8.012 8.088 -0.076 25376 3732 1 15 . 1 1 96 96 PRO HA H 96 4.490 4.490 4.141 0.349 25376 3733 1 15 . 1 1 96 96 PRO CA C 96 62.900 62.900 62.256 0.644 25376 3734 1 15 . 1 1 96 96 PRO CB C 96 31.550 31.550 32.185 -0.635 25376 3735 1 15 . 1 1 97 97 LEU N N 97 122.075 122.075 119.230 2.845 25376 3736 1 15 . 1 1 97 97 LEU HA H 97 4.299 4.299 3.551 0.748 25376 3737 1 15 . 1 1 97 97 LEU CA C 97 55.206 55.206 55.729 -0.523 25376 3738 1 15 . 1 1 97 97 LEU CB C 97 42.046 42.046 42.107 -0.061 25376 3739 1 15 . 1 1 97 97 LEU H H 97 8.224 8.224 7.921 0.303 25376 3740 1 15 . 1 1 98 98 GLY N N 98 110.020 110.020 105.740 4.280 25376 3741 1 15 . 1 1 98 98 GLY CA C 98 45.085 45.085 45.198 -0.113 25376 3742 1 15 . 1 1 98 98 GLY H H 98 8.444 8.444 8.450 -0.006 25376 3743 1 15 . 1 1 99 99 ALA N N 99 123.511 123.511 120.998 2.513 25376 3744 1 15 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.491 -0.192 25376 3745 1 15 . 1 1 99 99 ALA CA C 99 52.249 52.249 52.223 0.026 25376 3746 1 15 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.728 -0.792 25376 3747 1 15 . 1 1 99 99 ALA H H 99 8.176 8.176 8.485 -0.309 25376 3748 1 15 . 1 1 100 100 ASP N N 100 119.098 119.098 121.219 -2.121 25376 3749 1 15 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.519 0.042 25376 3750 1 15 . 1 1 100 100 ASP CA C 100 53.912 53.912 53.922 -0.010 25376 3751 1 15 . 1 1 100 100 ASP CB C 100 40.580 40.580 39.641 0.939 25376 3752 1 15 . 1 1 100 100 ASP H H 100 8.383 8.383 8.205 0.178 25376 3753 1 15 . 1 1 101 101 THR N N 101 116.696 116.696 117.174 -0.478 25376 3754 1 15 . 1 1 101 101 THR HA H 101 4.517 4.517 4.314 0.203 25376 3755 1 15 . 1 1 101 101 THR CA C 101 59.551 59.551 60.780 -1.229 25376 3756 1 15 . 1 1 101 101 THR CB C 101 69.589 69.589 68.380 1.208 25376 3757 1 15 . 1 1 101 101 THR H H 101 8.017 8.017 7.772 0.245 25376 3758 1 15 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.386 -0.050 25376 3759 1 15 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.672 0.211 25376 3760 1 15 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.389 -0.622 25376 3761 1 15 . 1 1 103 103 ALA N N 103 125.184 125.184 123.280 1.904 25376 3762 1 15 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.367 -0.082 25376 3763 1 15 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.447 0.570 25376 3764 1 15 . 1 1 103 103 ALA CB C 103 18.974 18.974 20.020 -1.046 25376 3765 1 15 . 1 1 103 103 ALA H H 103 8.333 8.333 8.166 0.167 25376 3766 1 16 . 1 1 50 50 GLU N N 50 120.583 120.583 122.615 -2.032 25376 3767 1 16 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.702 -0.534 25376 3768 1 16 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.148 0.676 25376 3769 1 16 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.686 -0.968 25376 3770 1 16 . 1 1 50 50 GLU H H 50 8.300 8.300 8.583 -0.283 25376 3771 1 16 . 1 1 51 51 GLU N N 51 121.142 121.142 119.751 1.391 25376 3772 1 16 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.631 -0.507 25376 3773 1 16 . 1 1 51 51 GLU CA C 51 56.362 56.362 55.617 0.745 25376 3774 1 16 . 1 1 51 51 GLU CB C 51 29.727 29.727 31.008 -1.281 25376 3775 1 16 . 1 1 51 51 GLU H H 51 8.140 8.140 8.638 -0.498 25376 3776 1 16 . 1 1 52 52 PHE N N 52 120.500 120.500 119.315 1.185 25376 3777 1 16 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.748 -0.233 25376 3778 1 16 . 1 1 52 52 PHE CA C 52 57.409 57.409 56.410 0.999 25376 3779 1 16 . 1 1 52 52 PHE CB C 52 39.326 39.326 41.105 -1.779 25376 3780 1 16 . 1 1 52 52 PHE H H 52 8.106 8.106 8.531 -0.425 25376 3781 1 16 . 1 1 53 53 GLN N N 53 121.616 121.616 121.900 -0.284 25376 3782 1 16 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.420 -0.208 25376 3783 1 16 . 1 1 53 53 GLN CA C 53 55.345 55.345 54.799 0.546 25376 3784 1 16 . 1 1 53 53 GLN CB C 53 29.357 29.357 26.478 2.879 25376 3785 1 16 . 1 1 53 53 GLN H H 53 8.047 8.047 7.926 0.121 25376 3786 1 16 . 1 1 54 54 PHE N N 54 120.217 120.217 119.146 1.071 25376 3787 1 16 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.656 -0.008 25376 3788 1 16 . 1 1 54 54 PHE CA C 54 56.824 56.824 58.297 -1.473 25376 3789 1 16 . 1 1 54 54 PHE CB C 54 39.522 39.522 42.682 -3.160 25376 3790 1 16 . 1 1 54 54 PHE H H 54 7.956 7.956 7.670 0.286 25376 3791 1 16 . 1 1 55 55 LEU N N 55 123.391 123.391 119.585 3.806 25376 3792 1 16 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.802 -0.416 25376 3793 1 16 . 1 1 55 55 LEU CA C 55 54.421 54.421 53.598 0.823 25376 3794 1 16 . 1 1 55 55 LEU CB C 55 43.024 43.024 43.246 -0.222 25376 3795 1 16 . 1 1 55 55 LEU H H 55 8.567 8.567 8.918 -0.351 25376 3796 1 16 . 1 1 56 56 ARG N N 56 120.442 120.442 119.343 1.099 25376 3797 1 16 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.718 -0.149 25376 3798 1 16 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.854 -0.301 25376 3799 1 16 . 1 1 56 56 ARG CB C 56 31.817 31.817 31.428 0.389 25376 3800 1 16 . 1 1 56 56 ARG H H 56 8.101 8.101 8.299 -0.198 25376 3801 1 16 . 1 1 57 57 CYS N N 57 123.891 123.891 126.897 -3.006 25376 3802 1 16 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.244 -0.291 25376 3803 1 16 . 1 1 57 57 CYS CA C 57 59.135 59.135 60.081 -0.946 25376 3804 1 16 . 1 1 57 57 CYS CB C 57 31.290 31.290 28.790 2.500 25376 3805 1 16 . 1 1 57 57 CYS H H 57 8.828 8.828 8.573 0.255 25376 3806 1 16 . 1 1 58 58 GLN N N 58 128.172 128.172 126.840 1.332 25376 3807 1 16 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.049 0.072 25376 3808 1 16 . 1 1 58 58 GLN CA C 58 58.528 58.528 57.291 1.237 25376 3809 1 16 . 1 1 58 58 GLN CB C 58 29.950 29.950 27.596 2.354 25376 3810 1 16 . 1 1 58 58 GLN H H 58 9.222 9.222 8.452 0.770 25376 3811 1 16 . 1 1 59 59 GLN N N 59 121.709 121.709 115.263 6.446 25376 3812 1 16 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.328 0.261 25376 3813 1 16 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.718 -0.109 25376 3814 1 16 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.006 0.711 25376 3815 1 16 . 1 1 59 59 GLN H H 59 9.200 9.200 7.543 1.657 25376 3816 1 16 . 1 1 60 60 CYS N N 60 119.482 119.482 117.618 1.864 25376 3817 1 16 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.690 0.104 25376 3818 1 16 . 1 1 60 60 CYS CA C 60 59.458 59.458 59.345 0.113 25376 3819 1 16 . 1 1 60 60 CYS CB C 60 32.179 32.179 27.574 4.605 25376 3820 1 16 . 1 1 60 60 CYS H H 60 8.566 8.566 7.605 0.961 25376 3821 1 16 . 1 1 61 61 GLN N N 61 115.153 115.153 115.022 0.131 25376 3822 1 16 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.933 0.220 25376 3823 1 16 . 1 1 61 61 GLN CA C 61 57.979 57.979 56.935 1.044 25376 3824 1 16 . 1 1 61 61 GLN CB C 61 25.342 25.342 25.643 -0.301 25376 3825 1 16 . 1 1 61 61 GLN H H 61 7.672 7.672 8.447 -0.775 25376 3826 1 16 . 1 1 62 62 ALA N N 62 124.669 124.669 119.293 5.376 25376 3827 1 16 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.604 -0.167 25376 3828 1 16 . 1 1 62 62 ALA CA C 62 52.064 52.064 51.131 0.933 25376 3829 1 16 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.539 -0.717 25376 3830 1 16 . 1 1 62 62 ALA H H 62 8.728 8.728 7.603 1.125 25376 3831 1 16 . 1 1 63 63 GLU N N 63 119.649 119.649 119.025 0.624 25376 3832 1 16 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.184 -0.147 25376 3833 1 16 . 1 1 63 63 GLU CA C 63 57.332 57.332 56.887 0.445 25376 3834 1 16 . 1 1 63 63 GLU CB C 63 29.262 29.262 30.040 -0.778 25376 3835 1 16 . 1 1 63 63 GLU H H 63 8.523 8.523 8.455 0.068 25376 3836 1 16 . 1 1 64 64 ALA N N 64 128.762 128.762 129.200 -0.438 25376 3837 1 16 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.678 -0.292 25376 3838 1 16 . 1 1 64 64 ALA CA C 64 50.354 50.354 50.878 -0.524 25376 3839 1 16 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.861 -1.526 25376 3840 1 16 . 1 1 64 64 ALA H H 64 8.581 8.581 8.267 0.314 25376 3841 1 16 . 1 1 65 65 LYS N N 65 122.223 122.223 125.074 -2.851 25376 3842 1 16 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.317 -0.236 25376 3843 1 16 . 1 1 65 65 LYS CA C 65 57.055 57.055 59.578 -2.523 25376 3844 1 16 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.838 -0.532 25376 3845 1 16 . 1 1 65 65 LYS H H 65 8.175 8.175 8.543 -0.368 25376 3846 1 16 . 1 1 66 66 CYS N N 66 117.296 117.296 117.364 -0.068 25376 3847 1 16 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.790 -0.098 25376 3848 1 16 . 1 1 66 66 CYS CA C 66 53.727 53.727 56.268 -2.541 25376 3849 1 16 . 1 1 66 66 CYS H H 66 8.790 8.790 8.311 0.479 25376 3850 1 16 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.683 -0.286 25376 3851 1 16 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.877 -0.049 25376 3852 1 16 . 1 1 67 67 PRO CB C 67 31.785 31.785 32.720 -0.935 25376 3853 1 16 . 1 1 68 68 LYS N N 68 121.724 121.724 120.678 1.046 25376 3854 1 16 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.664 -0.379 25376 3855 1 16 . 1 1 68 68 LYS CA C 68 54.929 54.929 54.448 0.481 25376 3856 1 16 . 1 1 68 68 LYS CB C 68 33.327 33.327 35.633 -2.306 25376 3857 1 16 . 1 1 68 68 LYS H H 68 8.662 8.662 8.167 0.495 25376 3858 1 16 . 1 1 69 69 LEU N N 69 125.851 125.851 123.314 2.537 25376 3859 1 16 . 1 1 69 69 LEU HA H 69 4.474 4.474 4.804 -0.330 25376 3860 1 16 . 1 1 69 69 LEU CA C 69 54.454 54.454 54.001 0.453 25376 3861 1 16 . 1 1 69 69 LEU CB C 69 41.720 41.720 41.967 -0.247 25376 3862 1 16 . 1 1 69 69 LEU H H 69 8.320 8.320 8.536 -0.216 25376 3863 1 16 . 1 1 70 70 LEU N N 70 128.488 128.488 126.380 2.108 25376 3864 1 16 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.248 0.400 25376 3865 1 16 . 1 1 70 70 LEU CA C 70 53.127 53.127 54.282 -1.155 25376 3866 1 16 . 1 1 70 70 LEU CB C 70 42.832 42.832 41.522 1.310 25376 3867 1 16 . 1 1 70 70 LEU H H 70 8.677 8.677 8.190 0.487 25376 3868 1 16 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.393 -0.117 25376 3869 1 16 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.643 0.147 25376 3870 1 16 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.498 -0.039 25376 3871 1 16 . 1 1 72 72 CYS N N 72 112.135 112.135 115.472 -3.337 25376 3872 1 16 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.585 -0.311 25376 3873 1 16 . 1 1 72 72 CYS CA C 72 57.194 57.194 58.184 -0.990 25376 3874 1 16 . 1 1 72 72 CYS CB C 72 31.085 31.085 26.423 4.662 25376 3875 1 16 . 1 1 72 72 CYS H H 72 7.204 7.204 7.951 -0.747 25376 3876 1 16 . 1 1 73 73 LEU N N 73 114.341 114.341 115.989 -1.648 25376 3877 1 16 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.943 -0.075 25376 3878 1 16 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.669 0.831 25376 3879 1 16 . 1 1 73 73 LEU CB C 73 37.671 37.671 38.951 -1.280 25376 3880 1 16 . 1 1 73 73 LEU H H 73 8.043 8.043 7.431 0.612 25376 3881 1 16 . 1 1 74 74 HIS N N 74 120.386 120.386 115.975 4.411 25376 3882 1 16 . 1 1 74 74 HIS HA H 74 4.990 4.990 5.100 -0.110 25376 3883 1 16 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.364 4.308 25376 3884 1 16 . 1 1 74 74 HIS CB C 74 31.354 31.354 31.361 -0.007 25376 3885 1 16 . 1 1 74 74 HIS H H 74 7.831 7.831 7.872 -0.041 25376 3886 1 16 . 1 1 75 75 THR N N 75 118.963 118.963 116.423 2.540 25376 3887 1 16 . 1 1 75 75 THR HA H 75 4.730 4.730 4.628 0.102 25376 3888 1 16 . 1 1 75 75 THR CA C 75 62.185 62.185 62.235 -0.050 25376 3889 1 16 . 1 1 75 75 THR CB C 75 69.640 69.640 70.182 -0.542 25376 3890 1 16 . 1 1 75 75 THR H H 75 8.889 8.889 8.149 0.740 25376 3891 1 16 . 1 1 76 76 LEU N N 76 128.330 128.330 126.472 1.858 25376 3892 1 16 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.786 1.147 25376 3893 1 16 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.320 -1.811 25376 3894 1 16 . 1 1 76 76 LEU CB C 76 46.194 46.194 47.361 -1.167 25376 3895 1 16 . 1 1 76 76 LEU H H 76 8.767 8.767 8.096 0.671 25376 3896 1 16 . 1 1 77 77 CYS N N 77 119.360 119.360 116.479 2.881 25376 3897 1 16 . 1 1 77 77 CYS HA H 77 4.732 4.732 4.996 -0.264 25376 3898 1 16 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.560 0.310 25376 3899 1 16 . 1 1 77 77 CYS CB C 77 31.698 31.698 29.667 2.031 25376 3900 1 16 . 1 1 77 77 CYS H H 77 9.510 9.510 8.387 1.123 25376 3901 1 16 . 1 1 78 78 SER N N 78 114.841 114.841 118.192 -3.351 25376 3902 1 16 . 1 1 78 78 SER HA H 78 4.037 4.037 4.093 -0.056 25376 3903 1 16 . 1 1 78 78 SER CA C 78 61.756 61.756 61.685 0.071 25376 3904 1 16 . 1 1 78 78 SER CB C 78 62.254 62.254 63.034 -0.780 25376 3905 1 16 . 1 1 78 78 SER H H 78 8.593 8.593 8.705 -0.112 25376 3906 1 16 . 1 1 79 79 GLY N N 79 111.904 111.904 108.894 3.010 25376 3907 1 16 . 1 1 79 79 GLY CA C 79 46.777 46.777 46.985 -0.208 25376 3908 1 16 . 1 1 79 79 GLY H H 79 8.391 8.391 8.776 -0.385 25376 3909 1 16 . 1 1 80 80 CYS N N 80 126.807 126.807 120.276 6.531 25376 3910 1 16 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.479 -0.525 25376 3911 1 16 . 1 1 80 80 CYS CA C 80 65.189 65.189 61.451 3.738 25376 3912 1 16 . 1 1 80 80 CYS CB C 80 28.846 28.846 25.978 2.868 25376 3913 1 16 . 1 1 80 80 CYS H H 80 9.039 9.039 7.891 1.148 25376 3914 1 16 . 1 1 81 81 LEU N N 81 120.440 120.440 121.621 -1.181 25376 3915 1 16 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.059 0.073 25376 3916 1 16 . 1 1 81 81 LEU CA C 81 57.443 57.443 57.935 -0.492 25376 3917 1 16 . 1 1 81 81 LEU CB C 81 41.782 41.782 40.877 0.905 25376 3918 1 16 . 1 1 81 81 LEU H H 81 8.109 8.109 8.086 0.023 25376 3919 1 16 . 1 1 82 82 GLU N N 82 120.149 120.149 119.348 0.801 25376 3920 1 16 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.134 -0.097 25376 3921 1 16 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.190 0.129 25376 3922 1 16 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.939 -1.012 25376 3923 1 16 . 1 1 82 82 GLU H H 82 8.432 8.432 7.949 0.483 25376 3924 1 16 . 1 1 83 83 ALA N N 83 120.334 120.334 123.516 -3.182 25376 3925 1 16 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.237 0.062 25376 3926 1 16 . 1 1 83 83 ALA CA C 83 53.543 53.543 54.701 -1.158 25376 3927 1 16 . 1 1 83 83 ALA CB C 83 18.334 18.334 18.950 -0.616 25376 3928 1 16 . 1 1 83 83 ALA H H 83 7.715 7.715 8.090 -0.375 25376 3929 1 16 . 1 1 84 84 SER N N 84 112.368 112.368 112.985 -0.617 25376 3930 1 16 . 1 1 84 84 SER HA H 84 4.494 4.494 4.490 0.004 25376 3931 1 16 . 1 1 84 84 SER CA C 84 58.210 58.210 58.106 0.104 25376 3932 1 16 . 1 1 84 84 SER CB C 84 63.837 63.837 63.117 0.720 25376 3933 1 16 . 1 1 84 84 SER H H 84 7.570 7.570 7.947 -0.377 25376 3934 1 16 . 1 1 85 85 GLY N N 85 110.612 110.612 109.882 0.730 25376 3935 1 16 . 1 1 85 85 GLY CA C 85 46.841 46.841 46.164 0.677 25376 3936 1 16 . 1 1 85 85 GLY H H 85 7.955 7.955 7.410 0.545 25376 3937 1 16 . 1 1 86 86 MET N N 86 113.856 113.856 113.245 0.611 25376 3938 1 16 . 1 1 86 86 MET HA H 86 3.804 3.804 3.971 -0.167 25376 3939 1 16 . 1 1 86 86 MET CA C 86 55.160 55.160 56.196 -1.036 25376 3940 1 16 . 1 1 86 86 MET CB C 86 28.494 28.494 29.924 -1.429 25376 3941 1 16 . 1 1 86 86 MET H H 86 8.489 8.489 8.200 0.289 25376 3942 1 16 . 1 1 87 87 GLN N N 87 116.394 116.394 117.535 -1.141 25376 3943 1 16 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.190 0.259 25376 3944 1 16 . 1 1 87 87 GLN CA C 87 53.404 53.404 57.489 -4.085 25376 3945 1 16 . 1 1 87 87 GLN CB C 87 30.964 30.964 30.205 0.759 25376 3946 1 16 . 1 1 87 87 GLN H H 87 7.188 7.188 7.741 -0.553 25376 3947 1 16 . 1 1 88 88 CYS N N 88 124.484 124.484 118.715 5.769 25376 3948 1 16 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.860 -0.560 25376 3949 1 16 . 1 1 88 88 CYS CA C 88 57.101 57.101 57.450 -0.349 25376 3950 1 16 . 1 1 88 88 CYS CB C 88 31.117 31.117 26.626 4.491 25376 3951 1 16 . 1 1 88 88 CYS H H 88 8.616 8.616 8.683 -0.067 25376 3952 1 16 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.627 -0.118 25376 3953 1 16 . 1 1 89 89 PRO CA C 89 63.715 63.715 65.136 -1.421 25376 3954 1 16 . 1 1 89 89 PRO CB C 89 31.717 31.717 32.367 -0.651 25376 3955 1 16 . 1 1 90 90 ILE N N 90 123.484 123.484 117.677 5.807 25376 3956 1 16 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.738 0.045 25376 3957 1 16 . 1 1 90 90 ILE CA C 90 62.878 62.878 61.905 0.973 25376 3958 1 16 . 1 1 90 90 ILE CB C 90 37.483 37.483 35.953 1.530 25376 3959 1 16 . 1 1 90 90 ILE H H 90 8.908 8.908 8.025 0.883 25376 3960 1 16 . 1 1 91 91 CYS N N 91 120.890 120.890 118.470 2.420 25376 3961 1 16 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.214 0.303 25376 3962 1 16 . 1 1 91 91 CYS CA C 91 60.891 60.891 61.646 -0.755 25376 3963 1 16 . 1 1 91 91 CYS CB C 91 31.244 31.244 26.005 5.239 25376 3964 1 16 . 1 1 91 91 CYS H H 91 8.587 8.587 7.924 0.663 25376 3965 1 16 . 1 1 92 92 GLN N N 92 116.563 116.563 119.768 -3.205 25376 3966 1 16 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.150 -0.018 25376 3967 1 16 . 1 1 92 92 GLN CA C 92 56.824 56.824 57.932 -1.108 25376 3968 1 16 . 1 1 92 92 GLN CB C 92 27.216 27.216 29.156 -1.940 25376 3969 1 16 . 1 1 92 92 GLN H H 92 7.787 7.787 8.240 -0.453 25376 3970 1 16 . 1 1 93 93 ALA N N 93 125.273 125.273 121.572 3.701 25376 3971 1 16 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.800 -0.239 25376 3972 1 16 . 1 1 93 93 ALA CA C 93 50.862 50.862 48.972 1.890 25376 3973 1 16 . 1 1 93 93 ALA CB C 93 18.415 18.415 19.609 -1.194 25376 3974 1 16 . 1 1 93 93 ALA H H 93 8.031 8.031 7.609 0.422 25376 3975 1 16 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.516 0.022 25376 3976 1 16 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.358 0.155 25376 3977 1 16 . 1 1 94 94 PRO CB C 94 31.684 31.684 30.048 1.636 25376 3978 1 16 . 1 1 95 95 TRP N N 95 121.986 121.986 124.670 -2.684 25376 3979 1 16 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.661 0.381 25376 3980 1 16 . 1 1 95 95 TRP CA C 95 54.005 54.005 54.284 -0.279 25376 3981 1 16 . 1 1 95 95 TRP CB C 95 28.846 28.846 28.011 0.835 25376 3982 1 16 . 1 1 95 95 TRP H H 95 8.012 8.012 8.364 -0.352 25376 3983 1 16 . 1 1 96 96 PRO HA H 96 4.490 4.490 4.119 0.371 25376 3984 1 16 . 1 1 96 96 PRO CA C 96 62.900 62.900 62.433 0.467 25376 3985 1 16 . 1 1 96 96 PRO CB C 96 31.550 31.550 31.765 -0.215 25376 3986 1 16 . 1 1 97 97 LEU N N 97 122.075 122.075 123.671 -1.596 25376 3987 1 16 . 1 1 97 97 LEU HA H 97 4.299 4.299 3.537 0.762 25376 3988 1 16 . 1 1 97 97 LEU CA C 97 55.206 55.206 55.470 -0.264 25376 3989 1 16 . 1 1 97 97 LEU CB C 97 42.046 42.046 42.111 -0.065 25376 3990 1 16 . 1 1 97 97 LEU H H 97 8.224 8.224 8.054 0.170 25376 3991 1 16 . 1 1 98 98 GLY N N 98 110.020 110.020 108.888 1.132 25376 3992 1 16 . 1 1 98 98 GLY CA C 98 45.085 45.085 45.264 -0.180 25376 3993 1 16 . 1 1 98 98 GLY H H 98 8.444 8.444 8.328 0.116 25376 3994 1 16 . 1 1 99 99 ALA N N 99 123.511 123.511 121.965 1.546 25376 3995 1 16 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.608 -0.309 25376 3996 1 16 . 1 1 99 99 ALA CA C 99 52.249 52.249 51.634 0.615 25376 3997 1 16 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.536 -0.600 25376 3998 1 16 . 1 1 99 99 ALA H H 99 8.176 8.176 8.187 -0.011 25376 3999 1 16 . 1 1 100 100 ASP N N 100 119.098 119.098 121.099 -2.001 25376 4000 1 16 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.508 0.053 25376 4001 1 16 . 1 1 100 100 ASP CA C 100 53.912 53.912 54.291 -0.379 25376 4002 1 16 . 1 1 100 100 ASP CB C 100 40.580 40.580 40.745 -0.165 25376 4003 1 16 . 1 1 100 100 ASP H H 100 8.383 8.383 8.050 0.333 25376 4004 1 16 . 1 1 101 101 THR N N 101 116.696 116.696 120.184 -3.488 25376 4005 1 16 . 1 1 101 101 THR HA H 101 4.517 4.517 4.396 0.121 25376 4006 1 16 . 1 1 101 101 THR CA C 101 59.551 59.551 59.977 -0.426 25376 4007 1 16 . 1 1 101 101 THR CB C 101 69.589 69.589 67.950 1.639 25376 4008 1 16 . 1 1 101 101 THR H H 101 8.017 8.017 7.849 0.168 25376 4009 1 16 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.398 -0.062 25376 4010 1 16 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.581 0.302 25376 4011 1 16 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.354 -0.587 25376 4012 1 16 . 1 1 103 103 ALA N N 103 125.184 125.184 123.111 2.073 25376 4013 1 16 . 1 1 103 103 ALA HA H 103 4.285 4.285 3.989 0.296 25376 4014 1 16 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.889 0.128 25376 4015 1 16 . 1 1 103 103 ALA CB C 103 18.974 18.974 19.096 -0.122 25376 4016 1 16 . 1 1 103 103 ALA H H 103 8.333 8.333 8.035 0.298 25376 4017 1 17 . 1 1 50 50 GLU N N 50 120.583 120.583 121.415 -0.832 25376 4018 1 17 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.643 -0.475 25376 4019 1 17 . 1 1 50 50 GLU CA C 50 56.824 56.824 55.926 0.898 25376 4020 1 17 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.789 -1.071 25376 4021 1 17 . 1 1 50 50 GLU H H 50 8.300 8.300 8.271 0.029 25376 4022 1 17 . 1 1 51 51 GLU N N 51 121.142 121.142 120.893 0.249 25376 4023 1 17 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.624 -0.500 25376 4024 1 17 . 1 1 51 51 GLU CA C 51 56.362 56.362 56.001 0.361 25376 4025 1 17 . 1 1 51 51 GLU CB C 51 29.727 29.727 30.724 -0.997 25376 4026 1 17 . 1 1 51 51 GLU H H 51 8.140 8.140 8.756 -0.616 25376 4027 1 17 . 1 1 52 52 PHE N N 52 120.500 120.500 119.422 1.078 25376 4028 1 17 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.633 -0.118 25376 4029 1 17 . 1 1 52 52 PHE CA C 52 57.409 57.409 56.992 0.417 25376 4030 1 17 . 1 1 52 52 PHE CB C 52 39.326 39.326 39.865 -0.539 25376 4031 1 17 . 1 1 52 52 PHE H H 52 8.106 8.106 8.018 0.088 25376 4032 1 17 . 1 1 53 53 GLN N N 53 121.616 121.616 122.024 -0.408 25376 4033 1 17 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.543 -0.331 25376 4034 1 17 . 1 1 53 53 GLN CA C 53 55.345 55.345 55.152 0.193 25376 4035 1 17 . 1 1 53 53 GLN CB C 53 29.357 29.357 27.054 2.303 25376 4036 1 17 . 1 1 53 53 GLN H H 53 8.047 8.047 8.825 -0.778 25376 4037 1 17 . 1 1 54 54 PHE N N 54 120.217 120.217 120.211 0.006 25376 4038 1 17 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.815 -0.167 25376 4039 1 17 . 1 1 54 54 PHE CA C 54 56.824 56.824 57.649 -0.825 25376 4040 1 17 . 1 1 54 54 PHE CB C 54 39.522 39.522 41.660 -2.138 25376 4041 1 17 . 1 1 54 54 PHE H H 54 7.956 7.956 7.907 0.049 25376 4042 1 17 . 1 1 55 55 LEU N N 55 123.391 123.391 122.297 1.094 25376 4043 1 17 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.985 -0.599 25376 4044 1 17 . 1 1 55 55 LEU CA C 55 54.421 54.421 53.773 0.648 25376 4045 1 17 . 1 1 55 55 LEU CB C 55 43.024 43.024 43.996 -0.972 25376 4046 1 17 . 1 1 55 55 LEU H H 55 8.567 8.567 9.091 -0.524 25376 4047 1 17 . 1 1 56 56 ARG N N 56 120.442 120.442 120.150 0.292 25376 4048 1 17 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.772 -0.203 25376 4049 1 17 . 1 1 56 56 ARG CA C 56 54.553 54.553 55.034 -0.481 25376 4050 1 17 . 1 1 56 56 ARG CB C 56 31.817 31.817 31.892 -0.075 25376 4051 1 17 . 1 1 56 56 ARG H H 56 8.101 8.101 8.373 -0.272 25376 4052 1 17 . 1 1 57 57 CYS N N 57 123.891 123.891 127.280 -3.389 25376 4053 1 17 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.358 -0.405 25376 4054 1 17 . 1 1 57 57 CYS CA C 57 59.135 59.135 59.913 -0.778 25376 4055 1 17 . 1 1 57 57 CYS CB C 57 31.290 31.290 28.370 2.920 25376 4056 1 17 . 1 1 57 57 CYS H H 57 8.828 8.828 8.556 0.272 25376 4057 1 17 . 1 1 58 58 GLN N N 58 128.172 128.172 127.045 1.127 25376 4058 1 17 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.120 0.001 25376 4059 1 17 . 1 1 58 58 GLN CA C 58 58.528 58.528 57.453 1.075 25376 4060 1 17 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.082 1.868 25376 4061 1 17 . 1 1 58 58 GLN H H 58 9.222 9.222 8.363 0.859 25376 4062 1 17 . 1 1 59 59 GLN N N 59 121.709 121.709 115.601 6.108 25376 4063 1 17 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.317 0.272 25376 4064 1 17 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.604 0.005 25376 4065 1 17 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.054 0.663 25376 4066 1 17 . 1 1 59 59 GLN H H 59 9.200 9.200 7.499 1.701 25376 4067 1 17 . 1 1 60 60 CYS N N 60 119.482 119.482 117.339 2.143 25376 4068 1 17 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.736 0.058 25376 4069 1 17 . 1 1 60 60 CYS CA C 60 59.458 59.458 58.883 0.575 25376 4070 1 17 . 1 1 60 60 CYS CB C 60 32.179 32.179 27.807 4.372 25376 4071 1 17 . 1 1 60 60 CYS H H 60 8.566 8.566 7.885 0.681 25376 4072 1 17 . 1 1 61 61 GLN N N 61 115.153 115.153 116.002 -0.849 25376 4073 1 17 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.988 0.165 25376 4074 1 17 . 1 1 61 61 GLN CA C 61 57.979 57.979 56.978 1.001 25376 4075 1 17 . 1 1 61 61 GLN CB C 61 25.342 25.342 25.968 -0.626 25376 4076 1 17 . 1 1 61 61 GLN H H 61 7.672 7.672 8.223 -0.551 25376 4077 1 17 . 1 1 62 62 ALA N N 62 124.669 124.669 119.250 5.419 25376 4078 1 17 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.641 -0.204 25376 4079 1 17 . 1 1 62 62 ALA CA C 62 52.064 52.064 50.374 1.690 25376 4080 1 17 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.292 -0.470 25376 4081 1 17 . 1 1 62 62 ALA H H 62 8.728 8.728 7.471 1.257 25376 4082 1 17 . 1 1 63 63 GLU N N 63 119.649 119.649 119.430 0.219 25376 4083 1 17 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.198 -0.161 25376 4084 1 17 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.388 -0.056 25376 4085 1 17 . 1 1 63 63 GLU CB C 63 29.262 29.262 30.257 -0.995 25376 4086 1 17 . 1 1 63 63 GLU H H 63 8.523 8.523 8.518 0.005 25376 4087 1 17 . 1 1 64 64 ALA N N 64 128.762 128.762 128.209 0.553 25376 4088 1 17 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.713 -0.327 25376 4089 1 17 . 1 1 64 64 ALA CA C 64 50.354 50.354 50.899 -0.545 25376 4090 1 17 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.764 -1.429 25376 4091 1 17 . 1 1 64 64 ALA H H 64 8.581 8.581 8.511 0.070 25376 4092 1 17 . 1 1 65 65 LYS N N 65 122.223 122.223 124.700 -2.477 25376 4093 1 17 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.363 -0.282 25376 4094 1 17 . 1 1 65 65 LYS CA C 65 57.055 57.055 59.191 -2.136 25376 4095 1 17 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.919 -0.613 25376 4096 1 17 . 1 1 65 65 LYS H H 65 8.175 8.175 8.752 -0.577 25376 4097 1 17 . 1 1 66 66 CYS N N 66 117.296 117.296 117.086 0.210 25376 4098 1 17 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.809 -0.117 25376 4099 1 17 . 1 1 66 66 CYS CA C 66 53.727 53.727 56.444 -2.717 25376 4100 1 17 . 1 1 66 66 CYS H H 66 8.790 8.790 8.324 0.466 25376 4101 1 17 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.682 -0.285 25376 4102 1 17 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.786 0.043 25376 4103 1 17 . 1 1 67 67 PRO CB C 67 31.785 31.785 32.741 -0.956 25376 4104 1 17 . 1 1 68 68 LYS N N 68 121.724 121.724 118.202 3.522 25376 4105 1 17 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.612 -0.327 25376 4106 1 17 . 1 1 68 68 LYS CA C 68 54.929 54.929 55.080 -0.151 25376 4107 1 17 . 1 1 68 68 LYS CB C 68 33.327 33.327 36.134 -2.807 25376 4108 1 17 . 1 1 68 68 LYS H H 68 8.662 8.662 8.464 0.198 25376 4109 1 17 . 1 1 69 69 LEU N N 69 125.851 125.851 125.651 0.200 25376 4110 1 17 . 1 1 69 69 LEU HA H 69 4.474 4.474 5.025 -0.551 25376 4111 1 17 . 1 1 69 69 LEU CA C 69 54.454 54.454 53.758 0.696 25376 4112 1 17 . 1 1 69 69 LEU CB C 69 41.720 41.720 41.334 0.386 25376 4113 1 17 . 1 1 69 69 LEU H H 69 8.320 8.320 8.567 -0.247 25376 4114 1 17 . 1 1 70 70 LEU N N 70 128.488 128.488 127.474 1.014 25376 4115 1 17 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.267 0.381 25376 4116 1 17 . 1 1 70 70 LEU CA C 70 53.127 53.127 54.761 -1.634 25376 4117 1 17 . 1 1 70 70 LEU CB C 70 42.832 42.832 41.441 1.391 25376 4118 1 17 . 1 1 70 70 LEU H H 70 8.677 8.677 7.959 0.718 25376 4119 1 17 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.356 -0.080 25376 4120 1 17 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.626 0.164 25376 4121 1 17 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.542 -0.082 25376 4122 1 17 . 1 1 72 72 CYS N N 72 112.135 112.135 115.863 -3.728 25376 4123 1 17 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.646 -0.372 25376 4124 1 17 . 1 1 72 72 CYS CA C 72 57.194 57.194 57.700 -0.506 25376 4125 1 17 . 1 1 72 72 CYS CB C 72 31.085 31.085 25.675 5.410 25376 4126 1 17 . 1 1 72 72 CYS H H 72 7.204 7.204 7.763 -0.559 25376 4127 1 17 . 1 1 73 73 LEU N N 73 114.341 114.341 115.943 -1.602 25376 4128 1 17 . 1 1 73 73 LEU HA H 73 3.868 3.868 4.013 -0.145 25376 4129 1 17 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.310 1.190 25376 4130 1 17 . 1 1 73 73 LEU CB C 73 37.671 37.671 39.555 -1.884 25376 4131 1 17 . 1 1 73 73 LEU H H 73 8.043 8.043 7.332 0.711 25376 4132 1 17 . 1 1 74 74 HIS N N 74 120.386 120.386 116.005 4.381 25376 4133 1 17 . 1 1 74 74 HIS HA H 74 4.990 4.990 5.046 -0.056 25376 4134 1 17 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.325 4.347 25376 4135 1 17 . 1 1 74 74 HIS CB C 74 31.354 31.354 31.463 -0.109 25376 4136 1 17 . 1 1 74 74 HIS H H 74 7.831 7.831 7.954 -0.123 25376 4137 1 17 . 1 1 75 75 THR N N 75 118.963 118.963 117.058 1.905 25376 4138 1 17 . 1 1 75 75 THR HA H 75 4.730 4.730 4.799 -0.069 25376 4139 1 17 . 1 1 75 75 THR CA C 75 62.185 62.185 62.134 0.051 25376 4140 1 17 . 1 1 75 75 THR CB C 75 69.640 69.640 69.855 -0.215 25376 4141 1 17 . 1 1 75 75 THR H H 75 8.889 8.889 8.388 0.501 25376 4142 1 17 . 1 1 76 76 LEU N N 76 128.330 128.330 126.966 1.364 25376 4143 1 17 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.969 0.964 25376 4144 1 17 . 1 1 76 76 LEU CA C 76 51.509 51.509 52.942 -1.433 25376 4145 1 17 . 1 1 76 76 LEU CB C 76 46.194 46.194 46.912 -0.718 25376 4146 1 17 . 1 1 76 76 LEU H H 76 8.767 8.767 8.063 0.704 25376 4147 1 17 . 1 1 77 77 CYS N N 77 119.360 119.360 117.022 2.338 25376 4148 1 17 . 1 1 77 77 CYS HA H 77 4.732 4.732 4.946 -0.214 25376 4149 1 17 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.421 0.449 25376 4150 1 17 . 1 1 77 77 CYS CB C 77 31.698 31.698 29.217 2.481 25376 4151 1 17 . 1 1 77 77 CYS H H 77 9.510 9.510 8.346 1.164 25376 4152 1 17 . 1 1 78 78 SER N N 78 114.841 114.841 117.476 -2.635 25376 4153 1 17 . 1 1 78 78 SER HA H 78 4.037 4.037 4.163 -0.126 25376 4154 1 17 . 1 1 78 78 SER CA C 78 61.756 61.756 62.311 -0.555 25376 4155 1 17 . 1 1 78 78 SER CB C 78 62.254 62.254 62.896 -0.642 25376 4156 1 17 . 1 1 78 78 SER H H 78 8.593 8.593 8.653 -0.060 25376 4157 1 17 . 1 1 79 79 GLY N N 79 111.904 111.904 108.576 3.328 25376 4158 1 17 . 1 1 79 79 GLY CA C 79 46.777 46.777 47.099 -0.322 25376 4159 1 17 . 1 1 79 79 GLY H H 79 8.391 8.391 8.778 -0.387 25376 4160 1 17 . 1 1 80 80 CYS N N 80 126.807 126.807 119.111 7.696 25376 4161 1 17 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.246 -0.292 25376 4162 1 17 . 1 1 80 80 CYS CA C 80 65.189 65.189 62.137 3.052 25376 4163 1 17 . 1 1 80 80 CYS CB C 80 28.846 28.846 26.047 2.799 25376 4164 1 17 . 1 1 80 80 CYS H H 80 9.039 9.039 7.687 1.352 25376 4165 1 17 . 1 1 81 81 LEU N N 81 120.440 120.440 121.330 -0.890 25376 4166 1 17 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.125 0.007 25376 4167 1 17 . 1 1 81 81 LEU CA C 81 57.443 57.443 57.790 -0.347 25376 4168 1 17 . 1 1 81 81 LEU CB C 81 41.782 41.782 40.766 1.016 25376 4169 1 17 . 1 1 81 81 LEU H H 81 8.109 8.109 8.094 0.015 25376 4170 1 17 . 1 1 82 82 GLU N N 82 120.149 120.149 119.812 0.337 25376 4171 1 17 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.151 -0.114 25376 4172 1 17 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.244 0.075 25376 4173 1 17 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.930 -1.003 25376 4174 1 17 . 1 1 82 82 GLU H H 82 8.432 8.432 8.053 0.379 25376 4175 1 17 . 1 1 83 83 ALA N N 83 120.334 120.334 123.234 -2.900 25376 4176 1 17 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.214 0.085 25376 4177 1 17 . 1 1 83 83 ALA CA C 83 53.543 53.543 54.721 -1.178 25376 4178 1 17 . 1 1 83 83 ALA CB C 83 18.334 18.334 18.628 -0.294 25376 4179 1 17 . 1 1 83 83 ALA H H 83 7.715 7.715 8.298 -0.583 25376 4180 1 17 . 1 1 84 84 SER N N 84 112.368 112.368 113.762 -1.394 25376 4181 1 17 . 1 1 84 84 SER HA H 84 4.494 4.494 4.523 -0.029 25376 4182 1 17 . 1 1 84 84 SER CA C 84 58.210 58.210 57.257 0.953 25376 4183 1 17 . 1 1 84 84 SER CB C 84 63.837 63.837 63.111 0.727 25376 4184 1 17 . 1 1 84 84 SER H H 84 7.570 7.570 7.740 -0.170 25376 4185 1 17 . 1 1 85 85 GLY N N 85 110.612 110.612 110.394 0.218 25376 4186 1 17 . 1 1 85 85 GLY CA C 85 46.841 46.841 45.771 1.070 25376 4187 1 17 . 1 1 85 85 GLY H H 85 7.955 7.955 7.462 0.493 25376 4188 1 17 . 1 1 86 86 MET N N 86 113.856 113.856 111.443 2.413 25376 4189 1 17 . 1 1 86 86 MET HA H 86 3.804 3.804 3.903 -0.099 25376 4190 1 17 . 1 1 86 86 MET CA C 86 55.160 55.160 56.495 -1.335 25376 4191 1 17 . 1 1 86 86 MET CB C 86 28.494 28.494 30.684 -2.190 25376 4192 1 17 . 1 1 86 86 MET H H 86 8.489 8.489 8.227 0.262 25376 4193 1 17 . 1 1 87 87 GLN N N 87 116.394 116.394 117.688 -1.294 25376 4194 1 17 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.195 0.254 25376 4195 1 17 . 1 1 87 87 GLN CA C 87 53.404 53.404 57.136 -3.732 25376 4196 1 17 . 1 1 87 87 GLN CB C 87 30.964 30.964 29.608 1.356 25376 4197 1 17 . 1 1 87 87 GLN H H 87 7.188 7.188 7.815 -0.627 25376 4198 1 17 . 1 1 88 88 CYS N N 88 124.484 124.484 119.472 5.012 25376 4199 1 17 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.907 -0.607 25376 4200 1 17 . 1 1 88 88 CYS CA C 88 57.101 57.101 56.561 0.540 25376 4201 1 17 . 1 1 88 88 CYS CB C 88 31.117 31.117 26.285 4.832 25376 4202 1 17 . 1 1 88 88 CYS H H 88 8.616 8.616 8.622 -0.006 25376 4203 1 17 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.327 0.182 25376 4204 1 17 . 1 1 89 89 PRO CA C 89 63.715 63.715 65.098 -1.383 25376 4205 1 17 . 1 1 89 89 PRO CB C 89 31.717 31.717 31.905 -0.188 25376 4206 1 17 . 1 1 90 90 ILE N N 90 123.484 123.484 115.965 7.519 25376 4207 1 17 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.690 0.093 25376 4208 1 17 . 1 1 90 90 ILE CA C 90 62.878 62.878 60.543 2.335 25376 4209 1 17 . 1 1 90 90 ILE CB C 90 37.483 37.483 35.297 2.187 25376 4210 1 17 . 1 1 90 90 ILE H H 90 8.908 8.908 7.971 0.937 25376 4211 1 17 . 1 1 91 91 CYS N N 91 120.890 120.890 117.041 3.849 25376 4212 1 17 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.334 0.183 25376 4213 1 17 . 1 1 91 91 CYS CA C 91 60.891 60.891 59.730 1.161 25376 4214 1 17 . 1 1 91 91 CYS CB C 91 31.244 31.244 25.816 5.428 25376 4215 1 17 . 1 1 91 91 CYS H H 91 8.587 8.587 7.497 1.090 25376 4216 1 17 . 1 1 92 92 GLN N N 92 116.563 116.563 118.838 -2.275 25376 4217 1 17 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.079 0.053 25376 4218 1 17 . 1 1 92 92 GLN CA C 92 56.824 56.824 57.675 -0.851 25376 4219 1 17 . 1 1 92 92 GLN CB C 92 27.216 27.216 28.986 -1.770 25376 4220 1 17 . 1 1 92 92 GLN H H 92 7.787 7.787 7.661 0.126 25376 4221 1 17 . 1 1 93 93 ALA N N 93 125.273 125.273 120.732 4.541 25376 4222 1 17 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.761 -0.200 25376 4223 1 17 . 1 1 93 93 ALA CA C 93 50.862 50.862 49.802 1.060 25376 4224 1 17 . 1 1 93 93 ALA CB C 93 18.415 18.415 20.393 -1.978 25376 4225 1 17 . 1 1 93 93 ALA H H 93 8.031 8.031 7.376 0.655 25376 4226 1 17 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.584 -0.046 25376 4227 1 17 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.584 -0.071 25376 4228 1 17 . 1 1 94 94 PRO CB C 94 31.684 31.684 29.811 1.873 25376 4229 1 17 . 1 1 95 95 TRP N N 95 121.986 121.986 124.993 -3.007 25376 4230 1 17 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.744 0.298 25376 4231 1 17 . 1 1 95 95 TRP CA C 95 54.005 54.005 54.417 -0.412 25376 4232 1 17 . 1 1 95 95 TRP CB C 95 28.846 28.846 28.061 0.785 25376 4233 1 17 . 1 1 95 95 TRP H H 95 8.012 8.012 8.398 -0.386 25376 4234 1 17 . 1 1 96 96 PRO HA H 96 4.490 4.490 4.163 0.327 25376 4235 1 17 . 1 1 96 96 PRO CA C 96 62.900 62.900 62.524 0.376 25376 4236 1 17 . 1 1 96 96 PRO CB C 96 31.550 31.550 31.523 0.027 25376 4237 1 17 . 1 1 97 97 LEU N N 97 122.075 122.075 119.990 2.085 25376 4238 1 17 . 1 1 97 97 LEU HA H 97 4.299 4.299 4.260 0.039 25376 4239 1 17 . 1 1 97 97 LEU CA C 97 55.206 55.206 53.577 1.629 25376 4240 1 17 . 1 1 97 97 LEU CB C 97 42.046 42.046 43.115 -1.069 25376 4241 1 17 . 1 1 97 97 LEU H H 97 8.224 8.224 7.722 0.502 25376 4242 1 17 . 1 1 98 98 GLY N N 98 110.020 110.020 106.193 3.827 25376 4243 1 17 . 1 1 98 98 GLY CA C 98 45.085 45.085 44.554 0.531 25376 4244 1 17 . 1 1 98 98 GLY H H 98 8.444 8.444 8.576 -0.132 25376 4245 1 17 . 1 1 99 99 ALA N N 99 123.511 123.511 124.287 -0.776 25376 4246 1 17 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.372 -0.073 25376 4247 1 17 . 1 1 99 99 ALA CA C 99 52.249 52.249 51.754 0.495 25376 4248 1 17 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.766 -0.830 25376 4249 1 17 . 1 1 99 99 ALA H H 99 8.176 8.176 7.873 0.303 25376 4250 1 17 . 1 1 100 100 ASP N N 100 119.098 119.098 122.848 -3.750 25376 4251 1 17 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.577 -0.016 25376 4252 1 17 . 1 1 100 100 ASP CA C 100 53.912 53.912 54.960 -1.048 25376 4253 1 17 . 1 1 100 100 ASP CB C 100 40.580 40.580 40.236 0.344 25376 4254 1 17 . 1 1 100 100 ASP H H 100 8.383 8.383 8.516 -0.133 25376 4255 1 17 . 1 1 101 101 THR N N 101 116.696 116.696 120.568 -3.872 25376 4256 1 17 . 1 1 101 101 THR HA H 101 4.517 4.517 4.643 -0.126 25376 4257 1 17 . 1 1 101 101 THR CA C 101 59.551 59.551 59.374 0.177 25376 4258 1 17 . 1 1 101 101 THR CB C 101 69.589 69.589 69.533 0.056 25376 4259 1 17 . 1 1 101 101 THR H H 101 8.017 8.017 7.887 0.130 25376 4260 1 17 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.496 -0.160 25376 4261 1 17 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.107 0.777 25376 4262 1 17 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.525 -0.758 25376 4263 1 17 . 1 1 103 103 ALA N N 103 125.184 125.184 124.728 0.456 25376 4264 1 17 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.066 0.219 25376 4265 1 17 . 1 1 103 103 ALA CA C 103 52.017 52.017 52.073 -0.056 25376 4266 1 17 . 1 1 103 103 ALA CB C 103 18.974 18.974 18.089 0.885 25376 4267 1 17 . 1 1 103 103 ALA H H 103 8.333 8.333 8.312 0.021 25376 4268 1 18 . 1 1 50 50 GLU N N 50 120.583 120.583 120.180 0.403 25376 4269 1 18 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.880 -0.712 25376 4270 1 18 . 1 1 50 50 GLU CA C 50 56.824 56.824 55.467 1.357 25376 4271 1 18 . 1 1 50 50 GLU CB C 50 29.718 29.718 31.422 -1.704 25376 4272 1 18 . 1 1 50 50 GLU H H 50 8.300 8.300 8.153 0.147 25376 4273 1 18 . 1 1 51 51 GLU N N 51 121.142 121.142 119.925 1.217 25376 4274 1 18 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.290 -0.166 25376 4275 1 18 . 1 1 51 51 GLU CA C 51 56.362 56.362 56.924 -0.562 25376 4276 1 18 . 1 1 51 51 GLU CB C 51 29.727 29.727 30.324 -0.597 25376 4277 1 18 . 1 1 51 51 GLU H H 51 8.140 8.140 8.367 -0.227 25376 4278 1 18 . 1 1 52 52 PHE N N 52 120.500 120.500 121.846 -1.346 25376 4279 1 18 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.662 -0.147 25376 4280 1 18 . 1 1 52 52 PHE CA C 52 57.409 57.409 57.510 -0.101 25376 4281 1 18 . 1 1 52 52 PHE CB C 52 39.326 39.326 40.194 -0.868 25376 4282 1 18 . 1 1 52 52 PHE H H 52 8.106 8.106 8.570 -0.464 25376 4283 1 18 . 1 1 53 53 GLN N N 53 121.616 121.616 128.410 -6.794 25376 4284 1 18 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.504 -0.292 25376 4285 1 18 . 1 1 53 53 GLN CA C 53 55.345 55.345 55.375 -0.030 25376 4286 1 18 . 1 1 53 53 GLN CB C 53 29.357 29.357 28.524 0.833 25376 4287 1 18 . 1 1 53 53 GLN H H 53 8.047 8.047 8.491 -0.444 25376 4288 1 18 . 1 1 54 54 PHE N N 54 120.217 120.217 123.275 -3.058 25376 4289 1 18 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.887 -0.239 25376 4290 1 18 . 1 1 54 54 PHE CA C 54 56.824 56.824 56.654 0.170 25376 4291 1 18 . 1 1 54 54 PHE CB C 54 39.522 39.522 42.135 -2.613 25376 4292 1 18 . 1 1 54 54 PHE H H 54 7.956 7.956 8.030 -0.074 25376 4293 1 18 . 1 1 55 55 LEU N N 55 123.391 123.391 119.537 3.854 25376 4294 1 18 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.850 -0.464 25376 4295 1 18 . 1 1 55 55 LEU CA C 55 54.421 54.421 53.430 0.991 25376 4296 1 18 . 1 1 55 55 LEU CB C 55 43.024 43.024 42.855 0.169 25376 4297 1 18 . 1 1 55 55 LEU H H 55 8.567 8.567 8.467 0.100 25376 4298 1 18 . 1 1 56 56 ARG N N 56 120.442 120.442 119.780 0.662 25376 4299 1 18 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.668 -0.099 25376 4300 1 18 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.827 -0.274 25376 4301 1 18 . 1 1 56 56 ARG CB C 56 31.817 31.817 32.400 -0.583 25376 4302 1 18 . 1 1 56 56 ARG H H 56 8.101 8.101 8.079 0.022 25376 4303 1 18 . 1 1 57 57 CYS N N 57 123.891 123.891 127.215 -3.324 25376 4304 1 18 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.339 -0.386 25376 4305 1 18 . 1 1 57 57 CYS CA C 57 59.135 59.135 60.205 -1.070 25376 4306 1 18 . 1 1 57 57 CYS CB C 57 31.290 31.290 28.165 3.125 25376 4307 1 18 . 1 1 57 57 CYS H H 57 8.828 8.828 8.842 -0.014 25376 4308 1 18 . 1 1 58 58 GLN N N 58 128.172 128.172 127.511 0.661 25376 4309 1 18 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.132 -0.011 25376 4310 1 18 . 1 1 58 58 GLN CA C 58 58.528 58.528 57.466 1.062 25376 4311 1 18 . 1 1 58 58 GLN CB C 58 29.950 29.950 27.852 2.098 25376 4312 1 18 . 1 1 58 58 GLN H H 58 9.222 9.222 8.515 0.707 25376 4313 1 18 . 1 1 59 59 GLN N N 59 121.709 121.709 115.369 6.340 25376 4314 1 18 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.344 0.245 25376 4315 1 18 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.632 -0.023 25376 4316 1 18 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.097 0.620 25376 4317 1 18 . 1 1 59 59 GLN H H 59 9.200 9.200 7.492 1.708 25376 4318 1 18 . 1 1 60 60 CYS N N 60 119.482 119.482 117.548 1.934 25376 4319 1 18 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.705 0.089 25376 4320 1 18 . 1 1 60 60 CYS CA C 60 59.458 59.458 59.521 -0.063 25376 4321 1 18 . 1 1 60 60 CYS CB C 60 32.179 32.179 27.841 4.338 25376 4322 1 18 . 1 1 60 60 CYS H H 60 8.566 8.566 7.682 0.884 25376 4323 1 18 . 1 1 61 61 GLN N N 61 115.153 115.153 114.647 0.506 25376 4324 1 18 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.962 0.191 25376 4325 1 18 . 1 1 61 61 GLN CA C 61 57.979 57.979 56.639 1.340 25376 4326 1 18 . 1 1 61 61 GLN CB C 61 25.342 25.342 25.617 -0.275 25376 4327 1 18 . 1 1 61 61 GLN H H 61 7.672 7.672 8.492 -0.820 25376 4328 1 18 . 1 1 62 62 ALA N N 62 124.669 124.669 120.229 4.440 25376 4329 1 18 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.607 -0.170 25376 4330 1 18 . 1 1 62 62 ALA CA C 62 52.064 52.064 50.929 1.135 25376 4331 1 18 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.419 -0.597 25376 4332 1 18 . 1 1 62 62 ALA H H 62 8.728 8.728 7.592 1.136 25376 4333 1 18 . 1 1 63 63 GLU N N 63 119.649 119.649 118.855 0.794 25376 4334 1 18 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.254 -0.217 25376 4335 1 18 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.462 -0.130 25376 4336 1 18 . 1 1 63 63 GLU CB C 63 29.262 29.262 30.107 -0.845 25376 4337 1 18 . 1 1 63 63 GLU H H 63 8.523 8.523 8.532 -0.009 25376 4338 1 18 . 1 1 64 64 ALA N N 64 128.762 128.762 128.792 -0.030 25376 4339 1 18 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.643 -0.257 25376 4340 1 18 . 1 1 64 64 ALA CA C 64 50.354 50.354 51.020 -0.666 25376 4341 1 18 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.854 -1.519 25376 4342 1 18 . 1 1 64 64 ALA H H 64 8.581 8.581 8.472 0.109 25376 4343 1 18 . 1 1 65 65 LYS N N 65 122.223 122.223 123.543 -1.320 25376 4344 1 18 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.399 -0.318 25376 4345 1 18 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.731 -1.676 25376 4346 1 18 . 1 1 65 65 LYS CB C 65 32.306 32.306 33.038 -0.732 25376 4347 1 18 . 1 1 65 65 LYS H H 65 8.175 8.175 8.764 -0.589 25376 4348 1 18 . 1 1 66 66 CYS N N 66 117.296 117.296 119.560 -2.264 25376 4349 1 18 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.825 -0.133 25376 4350 1 18 . 1 1 66 66 CYS CA C 66 53.727 53.727 55.317 -1.590 25376 4351 1 18 . 1 1 66 66 CYS H H 66 8.790 8.790 8.215 0.575 25376 4352 1 18 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.533 -0.136 25376 4353 1 18 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.526 0.303 25376 4354 1 18 . 1 1 67 67 PRO CB C 67 31.785 31.785 32.496 -0.711 25376 4355 1 18 . 1 1 68 68 LYS N N 68 121.724 121.724 118.208 3.516 25376 4356 1 18 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.656 -0.371 25376 4357 1 18 . 1 1 68 68 LYS CA C 68 54.929 54.929 55.081 -0.152 25376 4358 1 18 . 1 1 68 68 LYS CB C 68 33.327 33.327 36.787 -3.460 25376 4359 1 18 . 1 1 68 68 LYS H H 68 8.662 8.662 8.332 0.330 25376 4360 1 18 . 1 1 69 69 LEU N N 69 125.851 125.851 123.322 2.529 25376 4361 1 18 . 1 1 69 69 LEU HA H 69 4.474 4.474 5.030 -0.556 25376 4362 1 18 . 1 1 69 69 LEU CA C 69 54.454 54.454 53.700 0.754 25376 4363 1 18 . 1 1 69 69 LEU CB C 69 41.720 41.720 41.243 0.477 25376 4364 1 18 . 1 1 69 69 LEU H H 69 8.320 8.320 8.575 -0.255 25376 4365 1 18 . 1 1 70 70 LEU N N 70 128.488 128.488 124.844 3.644 25376 4366 1 18 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.200 0.448 25376 4367 1 18 . 1 1 70 70 LEU CA C 70 53.127 53.127 54.811 -1.684 25376 4368 1 18 . 1 1 70 70 LEU CB C 70 42.832 42.832 41.779 1.053 25376 4369 1 18 . 1 1 70 70 LEU H H 70 8.677 8.677 7.862 0.815 25376 4370 1 18 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.333 -0.057 25376 4371 1 18 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.613 0.177 25376 4372 1 18 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.555 -0.095 25376 4373 1 18 . 1 1 72 72 CYS N N 72 112.135 112.135 116.138 -4.003 25376 4374 1 18 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.583 -0.309 25376 4375 1 18 . 1 1 72 72 CYS CA C 72 57.194 57.194 58.182 -0.988 25376 4376 1 18 . 1 1 72 72 CYS CB C 72 31.085 31.085 25.426 5.659 25376 4377 1 18 . 1 1 72 72 CYS H H 72 7.204 7.204 7.749 -0.545 25376 4378 1 18 . 1 1 73 73 LEU N N 73 114.341 114.341 117.278 -2.937 25376 4379 1 18 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.992 -0.124 25376 4380 1 18 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.707 0.793 25376 4381 1 18 . 1 1 73 73 LEU CB C 73 37.671 37.671 39.081 -1.410 25376 4382 1 18 . 1 1 73 73 LEU H H 73 8.043 8.043 7.443 0.600 25376 4383 1 18 . 1 1 74 74 HIS N N 74 120.386 120.386 117.121 3.265 25376 4384 1 18 . 1 1 74 74 HIS HA H 74 4.990 4.990 4.678 0.312 25376 4385 1 18 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.104 4.568 25376 4386 1 18 . 1 1 74 74 HIS CB C 74 31.354 31.354 31.498 -0.144 25376 4387 1 18 . 1 1 74 74 HIS H H 74 7.831 7.831 7.417 0.414 25376 4388 1 18 . 1 1 75 75 THR N N 75 118.963 118.963 117.537 1.426 25376 4389 1 18 . 1 1 75 75 THR HA H 75 4.730 4.730 4.820 -0.090 25376 4390 1 18 . 1 1 75 75 THR CA C 75 62.185 62.185 62.059 0.126 25376 4391 1 18 . 1 1 75 75 THR CB C 75 69.640 69.640 69.794 -0.154 25376 4392 1 18 . 1 1 75 75 THR H H 75 8.889 8.889 8.232 0.657 25376 4393 1 18 . 1 1 76 76 LEU N N 76 128.330 128.330 127.084 1.246 25376 4394 1 18 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.905 1.028 25376 4395 1 18 . 1 1 76 76 LEU CA C 76 51.509 51.509 52.944 -1.435 25376 4396 1 18 . 1 1 76 76 LEU CB C 76 46.194 46.194 46.564 -0.370 25376 4397 1 18 . 1 1 76 76 LEU H H 76 8.767 8.767 8.002 0.765 25376 4398 1 18 . 1 1 77 77 CYS N N 77 119.360 119.360 117.003 2.357 25376 4399 1 18 . 1 1 77 77 CYS HA H 77 4.732 4.732 4.951 -0.219 25376 4400 1 18 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.380 0.490 25376 4401 1 18 . 1 1 77 77 CYS CB C 77 31.698 31.698 29.136 2.562 25376 4402 1 18 . 1 1 77 77 CYS H H 77 9.510 9.510 8.367 1.143 25376 4403 1 18 . 1 1 78 78 SER N N 78 114.841 114.841 117.721 -2.880 25376 4404 1 18 . 1 1 78 78 SER HA H 78 4.037 4.037 4.167 -0.130 25376 4405 1 18 . 1 1 78 78 SER CA C 78 61.756 61.756 61.379 0.377 25376 4406 1 18 . 1 1 78 78 SER CB C 78 62.254 62.254 63.319 -1.065 25376 4407 1 18 . 1 1 78 78 SER H H 78 8.593 8.593 8.472 0.121 25376 4408 1 18 . 1 1 79 79 GLY N N 79 111.904 111.904 108.732 3.172 25376 4409 1 18 . 1 1 79 79 GLY CA C 79 46.777 46.777 46.752 0.025 25376 4410 1 18 . 1 1 79 79 GLY H H 79 8.391 8.391 8.528 -0.137 25376 4411 1 18 . 1 1 80 80 CYS N N 80 126.807 126.807 120.110 6.697 25376 4412 1 18 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.233 -0.279 25376 4413 1 18 . 1 1 80 80 CYS CA C 80 65.189 65.189 62.292 2.897 25376 4414 1 18 . 1 1 80 80 CYS CB C 80 28.846 28.846 26.058 2.788 25376 4415 1 18 . 1 1 80 80 CYS H H 80 9.039 9.039 7.539 1.500 25376 4416 1 18 . 1 1 81 81 LEU N N 81 120.440 120.440 121.308 -0.868 25376 4417 1 18 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.036 0.096 25376 4418 1 18 . 1 1 81 81 LEU CA C 81 57.443 57.443 58.090 -0.647 25376 4419 1 18 . 1 1 81 81 LEU CB C 81 41.782 41.782 40.882 0.900 25376 4420 1 18 . 1 1 81 81 LEU H H 81 8.109 8.109 8.162 -0.053 25376 4421 1 18 . 1 1 82 82 GLU N N 82 120.149 120.149 119.177 0.972 25376 4422 1 18 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.124 -0.087 25376 4423 1 18 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.247 0.072 25376 4424 1 18 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.955 -1.028 25376 4425 1 18 . 1 1 82 82 GLU H H 82 8.432 8.432 7.920 0.512 25376 4426 1 18 . 1 1 83 83 ALA N N 83 120.334 120.334 123.349 -3.015 25376 4427 1 18 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.172 0.127 25376 4428 1 18 . 1 1 83 83 ALA CA C 83 53.543 53.543 54.679 -1.136 25376 4429 1 18 . 1 1 83 83 ALA CB C 83 18.334 18.334 18.642 -0.308 25376 4430 1 18 . 1 1 83 83 ALA H H 83 7.715 7.715 8.069 -0.354 25376 4431 1 18 . 1 1 84 84 SER N N 84 112.368 112.368 114.586 -2.218 25376 4432 1 18 . 1 1 84 84 SER HA H 84 4.494 4.494 4.542 -0.048 25376 4433 1 18 . 1 1 84 84 SER CA C 84 58.210 58.210 57.877 0.333 25376 4434 1 18 . 1 1 84 84 SER CB C 84 63.837 63.837 63.665 0.172 25376 4435 1 18 . 1 1 84 84 SER H H 84 7.570 7.570 7.965 -0.395 25376 4436 1 18 . 1 1 85 85 GLY N N 85 110.612 110.612 110.986 -0.374 25376 4437 1 18 . 1 1 85 85 GLY CA C 85 46.841 46.841 46.158 0.683 25376 4438 1 18 . 1 1 85 85 GLY H H 85 7.955 7.955 7.588 0.366 25376 4439 1 18 . 1 1 86 86 MET N N 86 113.856 113.856 112.632 1.224 25376 4440 1 18 . 1 1 86 86 MET HA H 86 3.804 3.804 3.896 -0.092 25376 4441 1 18 . 1 1 86 86 MET CA C 86 55.160 55.160 56.248 -1.087 25376 4442 1 18 . 1 1 86 86 MET CB C 86 28.494 28.494 29.272 -0.778 25376 4443 1 18 . 1 1 86 86 MET H H 86 8.489 8.489 8.134 0.355 25376 4444 1 18 . 1 1 87 87 GLN N N 87 116.394 116.394 118.572 -2.178 25376 4445 1 18 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.204 0.245 25376 4446 1 18 . 1 1 87 87 GLN CA C 87 53.404 53.404 57.358 -3.954 25376 4447 1 18 . 1 1 87 87 GLN CB C 87 30.964 30.964 29.766 1.198 25376 4448 1 18 . 1 1 87 87 GLN H H 87 7.188 7.188 7.706 -0.518 25376 4449 1 18 . 1 1 88 88 CYS N N 88 124.484 124.484 119.555 4.929 25376 4450 1 18 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.868 -0.568 25376 4451 1 18 . 1 1 88 88 CYS CA C 88 57.101 57.101 56.632 0.469 25376 4452 1 18 . 1 1 88 88 CYS CB C 88 31.117 31.117 26.061 5.056 25376 4453 1 18 . 1 1 88 88 CYS H H 88 8.616 8.616 8.604 0.012 25376 4454 1 18 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.316 0.193 25376 4455 1 18 . 1 1 89 89 PRO CA C 89 63.715 63.715 65.129 -1.414 25376 4456 1 18 . 1 1 89 89 PRO CB C 89 31.717 31.717 31.927 -0.210 25376 4457 1 18 . 1 1 90 90 ILE N N 90 123.484 123.484 116.637 6.847 25376 4458 1 18 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.711 0.072 25376 4459 1 18 . 1 1 90 90 ILE CA C 90 62.878 62.878 60.633 2.245 25376 4460 1 18 . 1 1 90 90 ILE CB C 90 37.483 37.483 35.417 2.066 25376 4461 1 18 . 1 1 90 90 ILE H H 90 8.908 8.908 7.910 0.998 25376 4462 1 18 . 1 1 91 91 CYS N N 91 120.890 120.890 117.990 2.900 25376 4463 1 18 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.205 0.312 25376 4464 1 18 . 1 1 91 91 CYS CA C 91 60.891 60.891 60.596 0.295 25376 4465 1 18 . 1 1 91 91 CYS CB C 91 31.244 31.244 25.698 5.546 25376 4466 1 18 . 1 1 91 91 CYS H H 91 8.587 8.587 7.551 1.036 25376 4467 1 18 . 1 1 92 92 GLN N N 92 116.563 116.563 119.729 -3.166 25376 4468 1 18 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.097 0.035 25376 4469 1 18 . 1 1 92 92 GLN CA C 92 56.824 56.824 57.703 -0.879 25376 4470 1 18 . 1 1 92 92 GLN CB C 92 27.216 27.216 29.136 -1.920 25376 4471 1 18 . 1 1 92 92 GLN H H 92 7.787 7.787 7.929 -0.142 25376 4472 1 18 . 1 1 93 93 ALA N N 93 125.273 125.273 121.041 4.232 25376 4473 1 18 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.815 -0.254 25376 4474 1 18 . 1 1 93 93 ALA CA C 93 50.862 50.862 49.075 1.787 25376 4475 1 18 . 1 1 93 93 ALA CB C 93 18.415 18.415 19.855 -1.440 25376 4476 1 18 . 1 1 93 93 ALA H H 93 8.031 8.031 7.448 0.583 25376 4477 1 18 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.626 -0.088 25376 4478 1 18 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.539 -0.026 25376 4479 1 18 . 1 1 94 94 PRO CB C 94 31.684 31.684 29.662 2.022 25376 4480 1 18 . 1 1 95 95 TRP N N 95 121.986 121.986 125.211 -3.225 25376 4481 1 18 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.618 0.424 25376 4482 1 18 . 1 1 95 95 TRP CA C 95 54.005 54.005 55.118 -1.113 25376 4483 1 18 . 1 1 95 95 TRP CB C 95 28.846 28.846 28.664 0.182 25376 4484 1 18 . 1 1 95 95 TRP H H 95 8.012 8.012 8.428 -0.416 25376 4485 1 18 . 1 1 96 96 PRO HA H 96 4.490 4.490 4.090 0.400 25376 4486 1 18 . 1 1 96 96 PRO CA C 96 62.900 62.900 62.508 0.392 25376 4487 1 18 . 1 1 96 96 PRO CB C 96 31.550 31.550 31.737 -0.187 25376 4488 1 18 . 1 1 97 97 LEU N N 97 122.075 122.075 125.188 -3.113 25376 4489 1 18 . 1 1 97 97 LEU HA H 97 4.299 4.299 3.696 0.603 25376 4490 1 18 . 1 1 97 97 LEU CA C 97 55.206 55.206 54.801 0.405 25376 4491 1 18 . 1 1 97 97 LEU CB C 97 42.046 42.046 42.270 -0.224 25376 4492 1 18 . 1 1 97 97 LEU H H 97 8.224 8.224 7.855 0.369 25376 4493 1 18 . 1 1 98 98 GLY N N 98 110.020 110.020 108.674 1.346 25376 4494 1 18 . 1 1 98 98 GLY CA C 98 45.085 45.085 43.986 1.099 25376 4495 1 18 . 1 1 98 98 GLY H H 98 8.444 8.444 8.598 -0.154 25376 4496 1 18 . 1 1 99 99 ALA N N 99 123.511 123.511 122.527 0.984 25376 4497 1 18 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.057 0.242 25376 4498 1 18 . 1 1 99 99 ALA CA C 99 52.249 52.249 52.454 -0.205 25376 4499 1 18 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.065 -0.129 25376 4500 1 18 . 1 1 99 99 ALA H H 99 8.176 8.176 8.300 -0.124 25376 4501 1 18 . 1 1 100 100 ASP N N 100 119.098 119.098 118.873 0.225 25376 4502 1 18 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.824 -0.263 25376 4503 1 18 . 1 1 100 100 ASP CA C 100 53.912 53.912 53.910 0.002 25376 4504 1 18 . 1 1 100 100 ASP CB C 100 40.580 40.580 41.931 -1.351 25376 4505 1 18 . 1 1 100 100 ASP H H 100 8.383 8.383 8.229 0.154 25376 4506 1 18 . 1 1 101 101 THR N N 101 116.696 116.696 114.251 2.445 25376 4507 1 18 . 1 1 101 101 THR HA H 101 4.517 4.517 4.685 -0.168 25376 4508 1 18 . 1 1 101 101 THR CA C 101 59.551 59.551 58.739 0.812 25376 4509 1 18 . 1 1 101 101 THR CB C 101 69.589 69.589 70.762 -1.173 25376 4510 1 18 . 1 1 101 101 THR H H 101 8.017 8.017 7.816 0.201 25376 4511 1 18 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.413 -0.077 25376 4512 1 18 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.329 0.555 25376 4513 1 18 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.370 -0.603 25376 4514 1 18 . 1 1 103 103 ALA N N 103 125.184 125.184 121.211 3.973 25376 4515 1 18 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.069 0.216 25376 4516 1 18 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.432 0.585 25376 4517 1 18 . 1 1 103 103 ALA CB C 103 18.974 18.974 19.044 -0.070 25376 4518 1 18 . 1 1 103 103 ALA H H 103 8.333 8.333 7.956 0.377 25376 4519 1 19 . 1 1 50 50 GLU N N 50 120.583 120.583 121.302 -0.719 25376 4520 1 19 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.520 -0.352 25376 4521 1 19 . 1 1 50 50 GLU CA C 50 56.824 56.824 56.397 0.427 25376 4522 1 19 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.485 -0.767 25376 4523 1 19 . 1 1 50 50 GLU H H 50 8.300 8.300 8.460 -0.160 25376 4524 1 19 . 1 1 51 51 GLU N N 51 121.142 121.142 122.012 -0.870 25376 4525 1 19 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.211 -0.087 25376 4526 1 19 . 1 1 51 51 GLU CA C 51 56.362 56.362 56.291 0.071 25376 4527 1 19 . 1 1 51 51 GLU CB C 51 29.727 29.727 30.192 -0.465 25376 4528 1 19 . 1 1 51 51 GLU H H 51 8.140 8.140 8.476 -0.336 25376 4529 1 19 . 1 1 52 52 PHE N N 52 120.500 120.500 117.309 3.191 25376 4530 1 19 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.812 -0.297 25376 4531 1 19 . 1 1 52 52 PHE CA C 52 57.409 57.409 56.775 0.634 25376 4532 1 19 . 1 1 52 52 PHE CB C 52 39.326 39.326 40.095 -0.769 25376 4533 1 19 . 1 1 52 52 PHE H H 52 8.106 8.106 7.539 0.567 25376 4534 1 19 . 1 1 53 53 GLN N N 53 121.616 121.616 122.374 -0.758 25376 4535 1 19 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.285 -0.073 25376 4536 1 19 . 1 1 53 53 GLN CA C 53 55.345 55.345 56.999 -1.654 25376 4537 1 19 . 1 1 53 53 GLN CB C 53 29.357 29.357 29.043 0.314 25376 4538 1 19 . 1 1 53 53 GLN H H 53 8.047 8.047 8.593 -0.546 25376 4539 1 19 . 1 1 54 54 PHE N N 54 120.217 120.217 120.893 -0.676 25376 4540 1 19 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.883 -0.235 25376 4541 1 19 . 1 1 54 54 PHE CA C 54 56.824 56.824 55.830 0.994 25376 4542 1 19 . 1 1 54 54 PHE CB C 54 39.522 39.522 40.365 -0.843 25376 4543 1 19 . 1 1 54 54 PHE H H 54 7.956 7.956 8.102 -0.146 25376 4544 1 19 . 1 1 55 55 LEU N N 55 123.391 123.391 123.026 0.365 25376 4545 1 19 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.381 0.005 25376 4546 1 19 . 1 1 55 55 LEU CA C 55 54.421 54.421 54.098 0.323 25376 4547 1 19 . 1 1 55 55 LEU CB C 55 43.024 43.024 42.748 0.276 25376 4548 1 19 . 1 1 55 55 LEU H H 55 8.567 8.567 8.762 -0.195 25376 4549 1 19 . 1 1 56 56 ARG N N 56 120.442 120.442 119.192 1.250 25376 4550 1 19 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.550 0.019 25376 4551 1 19 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.703 -0.150 25376 4552 1 19 . 1 1 56 56 ARG CB C 56 31.817 31.817 31.421 0.396 25376 4553 1 19 . 1 1 56 56 ARG H H 56 8.101 8.101 8.125 -0.024 25376 4554 1 19 . 1 1 57 57 CYS N N 57 123.891 123.891 127.464 -3.573 25376 4555 1 19 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.398 -0.445 25376 4556 1 19 . 1 1 57 57 CYS CA C 57 59.135 59.135 59.868 -0.733 25376 4557 1 19 . 1 1 57 57 CYS CB C 57 31.290 31.290 28.481 2.809 25376 4558 1 19 . 1 1 57 57 CYS H H 57 8.828 8.828 8.465 0.363 25376 4559 1 19 . 1 1 58 58 GLN N N 58 128.172 128.172 126.952 1.220 25376 4560 1 19 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.178 -0.057 25376 4561 1 19 . 1 1 58 58 GLN CA C 58 58.528 58.528 57.360 1.168 25376 4562 1 19 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.058 1.892 25376 4563 1 19 . 1 1 58 58 GLN H H 58 9.222 9.222 8.450 0.772 25376 4564 1 19 . 1 1 59 59 GLN N N 59 121.709 121.709 115.230 6.479 25376 4565 1 19 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.373 0.216 25376 4566 1 19 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.507 0.102 25376 4567 1 19 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.262 0.455 25376 4568 1 19 . 1 1 59 59 GLN H H 59 9.200 9.200 7.607 1.593 25376 4569 1 19 . 1 1 60 60 CYS N N 60 119.482 119.482 117.342 2.140 25376 4570 1 19 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.754 0.040 25376 4571 1 19 . 1 1 60 60 CYS CA C 60 59.458 59.458 58.874 0.584 25376 4572 1 19 . 1 1 60 60 CYS CB C 60 32.179 32.179 27.756 4.423 25376 4573 1 19 . 1 1 60 60 CYS H H 60 8.566 8.566 7.907 0.659 25376 4574 1 19 . 1 1 61 61 GLN N N 61 115.153 115.153 115.524 -0.371 25376 4575 1 19 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.951 0.202 25376 4576 1 19 . 1 1 61 61 GLN CA C 61 57.979 57.979 56.923 1.056 25376 4577 1 19 . 1 1 61 61 GLN CB C 61 25.342 25.342 25.619 -0.277 25376 4578 1 19 . 1 1 61 61 GLN H H 61 7.672 7.672 8.211 -0.539 25376 4579 1 19 . 1 1 62 62 ALA N N 62 124.669 124.669 119.121 5.548 25376 4580 1 19 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.662 -0.225 25376 4581 1 19 . 1 1 62 62 ALA CA C 62 52.064 52.064 50.068 1.996 25376 4582 1 19 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.683 -0.861 25376 4583 1 19 . 1 1 62 62 ALA H H 62 8.728 8.728 7.554 1.174 25376 4584 1 19 . 1 1 63 63 GLU N N 63 119.649 119.649 119.743 -0.094 25376 4585 1 19 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.295 -0.258 25376 4586 1 19 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.736 -0.404 25376 4587 1 19 . 1 1 63 63 GLU CB C 63 29.262 29.262 29.953 -0.691 25376 4588 1 19 . 1 1 63 63 GLU H H 63 8.523 8.523 8.607 -0.085 25376 4589 1 19 . 1 1 64 64 ALA N N 64 128.762 128.762 129.412 -0.650 25376 4590 1 19 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.580 -0.194 25376 4591 1 19 . 1 1 64 64 ALA CA C 64 50.354 50.354 51.278 -0.924 25376 4592 1 19 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.396 -1.061 25376 4593 1 19 . 1 1 64 64 ALA H H 64 8.581 8.581 8.037 0.544 25376 4594 1 19 . 1 1 65 65 LYS N N 65 122.223 122.223 125.020 -2.797 25376 4595 1 19 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.251 -0.170 25376 4596 1 19 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.922 -1.867 25376 4597 1 19 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.872 -0.566 25376 4598 1 19 . 1 1 65 65 LYS H H 65 8.175 8.175 8.540 -0.365 25376 4599 1 19 . 1 1 66 66 CYS N N 66 117.296 117.296 117.756 -0.460 25376 4600 1 19 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.832 -0.140 25376 4601 1 19 . 1 1 66 66 CYS CA C 66 53.727 53.727 56.510 -2.783 25376 4602 1 19 . 1 1 66 66 CYS H H 66 8.790 8.790 8.306 0.484 25376 4603 1 19 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.698 -0.301 25376 4604 1 19 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.754 0.075 25376 4605 1 19 . 1 1 67 67 PRO CB C 67 31.785 31.785 32.561 -0.776 25376 4606 1 19 . 1 1 68 68 LYS N N 68 121.724 121.724 119.201 2.523 25376 4607 1 19 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.732 -0.447 25376 4608 1 19 . 1 1 68 68 LYS CA C 68 54.929 54.929 54.195 0.734 25376 4609 1 19 . 1 1 68 68 LYS CB C 68 33.327 33.327 35.739 -2.413 25376 4610 1 19 . 1 1 68 68 LYS H H 68 8.662 8.662 8.253 0.409 25376 4611 1 19 . 1 1 69 69 LEU N N 69 125.851 125.851 121.842 4.009 25376 4612 1 19 . 1 1 69 69 LEU HA H 69 4.474 4.474 4.639 -0.165 25376 4613 1 19 . 1 1 69 69 LEU CA C 69 54.454 54.454 54.159 0.295 25376 4614 1 19 . 1 1 69 69 LEU CB C 69 41.720 41.720 42.578 -0.858 25376 4615 1 19 . 1 1 69 69 LEU H H 69 8.320 8.320 8.453 -0.133 25376 4616 1 19 . 1 1 70 70 LEU N N 70 128.488 128.488 122.485 6.003 25376 4617 1 19 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.805 -0.157 25376 4618 1 19 . 1 1 70 70 LEU CA C 70 53.127 53.127 52.359 0.768 25376 4619 1 19 . 1 1 70 70 LEU CB C 70 42.832 42.832 43.569 -0.737 25376 4620 1 19 . 1 1 70 70 LEU H H 70 8.677 8.677 8.019 0.658 25376 4621 1 19 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.325 -0.049 25376 4622 1 19 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.574 0.216 25376 4623 1 19 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.681 -0.221 25376 4624 1 19 . 1 1 72 72 CYS N N 72 112.135 112.135 116.435 -4.300 25376 4625 1 19 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.458 -0.184 25376 4626 1 19 . 1 1 72 72 CYS CA C 72 57.194 57.194 59.506 -2.312 25376 4627 1 19 . 1 1 72 72 CYS CB C 72 31.085 31.085 28.788 2.297 25376 4628 1 19 . 1 1 72 72 CYS H H 72 7.204 7.204 8.267 -1.063 25376 4629 1 19 . 1 1 73 73 LEU N N 73 114.341 114.341 113.673 0.668 25376 4630 1 19 . 1 1 73 73 LEU HA H 73 3.868 3.868 4.417 -0.549 25376 4631 1 19 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.119 1.381 25376 4632 1 19 . 1 1 73 73 LEU CB C 73 37.671 37.671 40.963 -3.292 25376 4633 1 19 . 1 1 73 73 LEU H H 73 8.043 8.043 7.419 0.624 25376 4634 1 19 . 1 1 74 74 HIS N N 74 120.386 120.386 118.425 1.961 25376 4635 1 19 . 1 1 74 74 HIS HA H 74 4.990 4.990 5.128 -0.139 25376 4636 1 19 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.351 4.321 25376 4637 1 19 . 1 1 74 74 HIS CB C 74 31.354 31.354 33.301 -1.947 25376 4638 1 19 . 1 1 74 74 HIS H H 74 7.831 7.831 7.597 0.234 25376 4639 1 19 . 1 1 75 75 THR N N 75 118.963 118.963 117.203 1.760 25376 4640 1 19 . 1 1 75 75 THR HA H 75 4.730 4.730 4.914 -0.184 25376 4641 1 19 . 1 1 75 75 THR CA C 75 62.185 62.185 62.107 0.078 25376 4642 1 19 . 1 1 75 75 THR CB C 75 69.640 69.640 69.671 -0.031 25376 4643 1 19 . 1 1 75 75 THR H H 75 8.889 8.889 8.634 0.255 25376 4644 1 19 . 1 1 76 76 LEU N N 76 128.330 128.330 127.028 1.302 25376 4645 1 19 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.987 0.946 25376 4646 1 19 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.010 -1.501 25376 4647 1 19 . 1 1 76 76 LEU CB C 76 46.194 46.194 46.448 -0.254 25376 4648 1 19 . 1 1 76 76 LEU H H 76 8.767 8.767 8.083 0.684 25376 4649 1 19 . 1 1 77 77 CYS N N 77 119.360 119.360 116.828 2.532 25376 4650 1 19 . 1 1 77 77 CYS HA H 77 4.732 4.732 4.931 -0.199 25376 4651 1 19 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.465 0.405 25376 4652 1 19 . 1 1 77 77 CYS CB C 77 31.698 31.698 29.197 2.501 25376 4653 1 19 . 1 1 77 77 CYS H H 77 9.510 9.510 8.327 1.183 25376 4654 1 19 . 1 1 78 78 SER N N 78 114.841 114.841 117.437 -2.596 25376 4655 1 19 . 1 1 78 78 SER HA H 78 4.037 4.037 4.156 -0.119 25376 4656 1 19 . 1 1 78 78 SER CA C 78 61.756 61.756 62.339 -0.583 25376 4657 1 19 . 1 1 78 78 SER CB C 78 62.254 62.254 62.961 -0.707 25376 4658 1 19 . 1 1 78 78 SER H H 78 8.593 8.593 8.648 -0.055 25376 4659 1 19 . 1 1 79 79 GLY N N 79 111.904 111.904 108.287 3.617 25376 4660 1 19 . 1 1 79 79 GLY CA C 79 46.777 46.777 47.040 -0.263 25376 4661 1 19 . 1 1 79 79 GLY H H 79 8.391 8.391 8.787 -0.396 25376 4662 1 19 . 1 1 80 80 CYS N N 80 126.807 126.807 120.935 5.872 25376 4663 1 19 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.523 -0.569 25376 4664 1 19 . 1 1 80 80 CYS CA C 80 65.189 65.189 61.370 3.819 25376 4665 1 19 . 1 1 80 80 CYS CB C 80 28.846 28.846 25.986 2.860 25376 4666 1 19 . 1 1 80 80 CYS H H 80 9.039 9.039 7.627 1.412 25376 4667 1 19 . 1 1 81 81 LEU N N 81 120.440 120.440 121.281 -0.841 25376 4668 1 19 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.096 0.036 25376 4669 1 19 . 1 1 81 81 LEU CA C 81 57.443 57.443 57.968 -0.525 25376 4670 1 19 . 1 1 81 81 LEU CB C 81 41.782 41.782 40.701 1.081 25376 4671 1 19 . 1 1 81 81 LEU H H 81 8.109 8.109 8.214 -0.105 25376 4672 1 19 . 1 1 82 82 GLU N N 82 120.149 120.149 119.732 0.417 25376 4673 1 19 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.157 -0.120 25376 4674 1 19 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.224 0.095 25376 4675 1 19 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.924 -0.997 25376 4676 1 19 . 1 1 82 82 GLU H H 82 8.432 8.432 8.059 0.373 25376 4677 1 19 . 1 1 83 83 ALA N N 83 120.334 120.334 123.524 -3.190 25376 4678 1 19 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.218 0.081 25376 4679 1 19 . 1 1 83 83 ALA CA C 83 53.543 53.543 54.746 -1.203 25376 4680 1 19 . 1 1 83 83 ALA CB C 83 18.334 18.334 18.717 -0.383 25376 4681 1 19 . 1 1 83 83 ALA H H 83 7.715 7.715 8.226 -0.511 25376 4682 1 19 . 1 1 84 84 SER N N 84 112.368 112.368 113.415 -1.047 25376 4683 1 19 . 1 1 84 84 SER HA H 84 4.494 4.494 4.543 -0.049 25376 4684 1 19 . 1 1 84 84 SER CA C 84 58.210 58.210 57.887 0.323 25376 4685 1 19 . 1 1 84 84 SER CB C 84 63.837 63.837 63.468 0.369 25376 4686 1 19 . 1 1 84 84 SER H H 84 7.570 7.570 7.812 -0.242 25376 4687 1 19 . 1 1 85 85 GLY N N 85 110.612 110.612 110.407 0.205 25376 4688 1 19 . 1 1 85 85 GLY CA C 85 46.841 46.841 45.845 0.996 25376 4689 1 19 . 1 1 85 85 GLY H H 85 7.955 7.955 7.517 0.438 25376 4690 1 19 . 1 1 86 86 MET N N 86 113.856 113.856 111.353 2.503 25376 4691 1 19 . 1 1 86 86 MET HA H 86 3.804 3.804 3.907 -0.103 25376 4692 1 19 . 1 1 86 86 MET CA C 86 55.160 55.160 56.628 -1.468 25376 4693 1 19 . 1 1 86 86 MET CB C 86 28.494 28.494 30.412 -1.918 25376 4694 1 19 . 1 1 86 86 MET H H 86 8.489 8.489 8.277 0.212 25376 4695 1 19 . 1 1 87 87 GLN N N 87 116.394 116.394 117.979 -1.585 25376 4696 1 19 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.175 0.274 25376 4697 1 19 . 1 1 87 87 GLN CA C 87 53.404 53.404 57.210 -3.806 25376 4698 1 19 . 1 1 87 87 GLN CB C 87 30.964 30.964 29.673 1.291 25376 4699 1 19 . 1 1 87 87 GLN H H 87 7.188 7.188 7.836 -0.648 25376 4700 1 19 . 1 1 88 88 CYS N N 88 124.484 124.484 119.464 5.020 25376 4701 1 19 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.821 -0.521 25376 4702 1 19 . 1 1 88 88 CYS CA C 88 57.101 57.101 56.040 1.061 25376 4703 1 19 . 1 1 88 88 CYS CB C 88 31.117 31.117 26.365 4.752 25376 4704 1 19 . 1 1 88 88 CYS H H 88 8.616 8.616 8.525 0.091 25376 4705 1 19 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.309 0.200 25376 4706 1 19 . 1 1 89 89 PRO CA C 89 63.715 63.715 64.785 -1.070 25376 4707 1 19 . 1 1 89 89 PRO CB C 89 31.717 31.717 31.962 -0.245 25376 4708 1 19 . 1 1 90 90 ILE N N 90 123.484 123.484 117.624 5.860 25376 4709 1 19 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.830 -0.047 25376 4710 1 19 . 1 1 90 90 ILE CA C 90 62.878 62.878 60.778 2.100 25376 4711 1 19 . 1 1 90 90 ILE CB C 90 37.483 37.483 35.871 1.612 25376 4712 1 19 . 1 1 90 90 ILE H H 90 8.908 8.908 7.772 1.136 25376 4713 1 19 . 1 1 91 91 CYS N N 91 120.890 120.890 118.421 2.469 25376 4714 1 19 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.025 0.492 25376 4715 1 19 . 1 1 91 91 CYS CA C 91 60.891 60.891 60.719 0.172 25376 4716 1 19 . 1 1 91 91 CYS CB C 91 31.244 31.244 25.838 5.406 25376 4717 1 19 . 1 1 91 91 CYS H H 91 8.587 8.587 7.921 0.666 25376 4718 1 19 . 1 1 92 92 GLN N N 92 116.563 116.563 117.001 -0.438 25376 4719 1 19 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.164 -0.032 25376 4720 1 19 . 1 1 92 92 GLN CA C 92 56.824 56.824 56.999 -0.175 25376 4721 1 19 . 1 1 92 92 GLN CB C 92 27.216 27.216 28.813 -1.597 25376 4722 1 19 . 1 1 92 92 GLN H H 92 7.787 7.787 7.446 0.341 25376 4723 1 19 . 1 1 93 93 ALA N N 93 125.273 125.273 123.475 1.798 25376 4724 1 19 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.714 -0.153 25376 4725 1 19 . 1 1 93 93 ALA CA C 93 50.862 50.862 49.199 1.663 25376 4726 1 19 . 1 1 93 93 ALA CB C 93 18.415 18.415 19.249 -0.834 25376 4727 1 19 . 1 1 93 93 ALA H H 93 8.031 8.031 7.796 0.235 25376 4728 1 19 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.644 -0.106 25376 4729 1 19 . 1 1 94 94 PRO CA C 94 62.513 62.513 63.071 -0.558 25376 4730 1 19 . 1 1 94 94 PRO CB C 94 31.684 31.684 30.729 0.955 25376 4731 1 19 . 1 1 95 95 TRP N N 95 121.986 121.986 126.537 -4.551 25376 4732 1 19 . 1 1 95 95 TRP HA H 95 5.042 5.042 5.021 0.021 25376 4733 1 19 . 1 1 95 95 TRP CA C 95 54.005 54.005 54.138 -0.133 25376 4734 1 19 . 1 1 95 95 TRP CB C 95 28.846 28.846 29.056 -0.210 25376 4735 1 19 . 1 1 95 95 TRP H H 95 8.012 8.012 8.280 -0.268 25376 4736 1 19 . 1 1 96 96 PRO HA H 96 4.490 4.490 4.443 0.047 25376 4737 1 19 . 1 1 96 96 PRO CA C 96 62.900 62.900 62.347 0.553 25376 4738 1 19 . 1 1 96 96 PRO CB C 96 31.550 31.550 33.586 -2.036 25376 4739 1 19 . 1 1 97 97 LEU N N 97 122.075 122.075 115.808 6.267 25376 4740 1 19 . 1 1 97 97 LEU HA H 97 4.299 4.299 4.136 0.163 25376 4741 1 19 . 1 1 97 97 LEU CA C 97 55.206 55.206 53.407 1.799 25376 4742 1 19 . 1 1 97 97 LEU CB C 97 42.046 42.046 43.807 -1.762 25376 4743 1 19 . 1 1 97 97 LEU H H 97 8.224 8.224 7.599 0.625 25376 4744 1 19 . 1 1 98 98 GLY N N 98 110.020 110.020 107.679 2.341 25376 4745 1 19 . 1 1 98 98 GLY CA C 98 45.085 45.085 46.047 -0.962 25376 4746 1 19 . 1 1 98 98 GLY H H 98 8.444 8.444 8.519 -0.075 25376 4747 1 19 . 1 1 99 99 ALA N N 99 123.511 123.511 125.859 -2.348 25376 4748 1 19 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.644 -0.345 25376 4749 1 19 . 1 1 99 99 ALA CA C 99 52.249 52.249 51.767 0.482 25376 4750 1 19 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.163 -0.227 25376 4751 1 19 . 1 1 99 99 ALA H H 99 8.176 8.176 8.019 0.157 25376 4752 1 19 . 1 1 100 100 ASP N N 100 119.098 119.098 125.229 -6.131 25376 4753 1 19 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.924 -0.363 25376 4754 1 19 . 1 1 100 100 ASP CA C 100 53.912 53.912 53.769 0.143 25376 4755 1 19 . 1 1 100 100 ASP CB C 100 40.580 40.580 42.100 -1.520 25376 4756 1 19 . 1 1 100 100 ASP H H 100 8.383 8.383 8.477 -0.094 25376 4757 1 19 . 1 1 101 101 THR N N 101 116.696 116.696 116.560 0.136 25376 4758 1 19 . 1 1 101 101 THR HA H 101 4.517 4.517 4.652 -0.135 25376 4759 1 19 . 1 1 101 101 THR CA C 101 59.551 59.551 58.810 0.741 25376 4760 1 19 . 1 1 101 101 THR CB C 101 69.589 69.589 70.426 -0.837 25376 4761 1 19 . 1 1 101 101 THR H H 101 8.017 8.017 8.118 -0.101 25376 4762 1 19 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.493 -0.157 25376 4763 1 19 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.515 0.369 25376 4764 1 19 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.442 -0.675 25376 4765 1 19 . 1 1 103 103 ALA N N 103 125.184 125.184 122.433 2.751 25376 4766 1 19 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.561 -0.276 25376 4767 1 19 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.081 0.936 25376 4768 1 19 . 1 1 103 103 ALA CB C 103 18.974 18.974 18.937 0.037 25376 4769 1 19 . 1 1 103 103 ALA H H 103 8.333 8.333 8.290 0.043 25376 4770 1 20 . 1 1 50 50 GLU N N 50 120.583 120.583 122.813 -2.230 25376 4771 1 20 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.572 -0.404 25376 4772 1 20 . 1 1 50 50 GLU CA C 50 56.824 56.824 55.587 1.237 25376 4773 1 20 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.978 -1.260 25376 4774 1 20 . 1 1 50 50 GLU H H 50 8.300 8.300 8.489 -0.189 25376 4775 1 20 . 1 1 51 51 GLU N N 51 121.142 121.142 120.571 0.571 25376 4776 1 20 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.259 -0.135 25376 4777 1 20 . 1 1 51 51 GLU CA C 51 56.362 56.362 57.819 -1.457 25376 4778 1 20 . 1 1 51 51 GLU CB C 51 29.727 29.727 30.212 -0.485 25376 4779 1 20 . 1 1 51 51 GLU H H 51 8.140 8.140 8.410 -0.270 25376 4780 1 20 . 1 1 52 52 PHE N N 52 120.500 120.500 117.541 2.959 25376 4781 1 20 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.565 -0.050 25376 4782 1 20 . 1 1 52 52 PHE CA C 52 57.409 57.409 57.653 -0.244 25376 4783 1 20 . 1 1 52 52 PHE CB C 52 39.326 39.326 40.747 -1.421 25376 4784 1 20 . 1 1 52 52 PHE H H 52 8.106 8.106 7.611 0.495 25376 4785 1 20 . 1 1 53 53 GLN N N 53 121.616 121.616 127.428 -5.812 25376 4786 1 20 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.407 -0.195 25376 4787 1 20 . 1 1 53 53 GLN CA C 53 55.345 55.345 56.504 -1.159 25376 4788 1 20 . 1 1 53 53 GLN CB C 53 29.357 29.357 28.641 0.716 25376 4789 1 20 . 1 1 53 53 GLN H H 53 8.047 8.047 8.181 -0.134 25376 4790 1 20 . 1 1 54 54 PHE N N 54 120.217 120.217 122.455 -2.238 25376 4791 1 20 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.957 -0.309 25376 4792 1 20 . 1 1 54 54 PHE CA C 54 56.824 56.824 55.910 0.914 25376 4793 1 20 . 1 1 54 54 PHE CB C 54 39.522 39.522 40.089 -0.567 25376 4794 1 20 . 1 1 54 54 PHE H H 54 7.956 7.956 8.206 -0.250 25376 4795 1 20 . 1 1 55 55 LEU N N 55 123.391 123.391 121.414 1.977 25376 4796 1 20 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.487 -0.101 25376 4797 1 20 . 1 1 55 55 LEU CA C 55 54.421 54.421 53.564 0.857 25376 4798 1 20 . 1 1 55 55 LEU CB C 55 43.024 43.024 42.961 0.063 25376 4799 1 20 . 1 1 55 55 LEU H H 55 8.567 8.567 8.819 -0.252 25376 4800 1 20 . 1 1 56 56 ARG N N 56 120.442 120.442 119.226 1.216 25376 4801 1 20 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.566 0.003 25376 4802 1 20 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.856 -0.303 25376 4803 1 20 . 1 1 56 56 ARG CB C 56 31.817 31.817 31.244 0.573 25376 4804 1 20 . 1 1 56 56 ARG H H 56 8.101 8.101 8.122 -0.021 25376 4805 1 20 . 1 1 57 57 CYS N N 57 123.891 123.891 127.561 -3.670 25376 4806 1 20 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.326 -0.373 25376 4807 1 20 . 1 1 57 57 CYS CA C 57 59.135 59.135 59.895 -0.760 25376 4808 1 20 . 1 1 57 57 CYS CB C 57 31.290 31.290 28.194 3.096 25376 4809 1 20 . 1 1 57 57 CYS H H 57 8.828 8.828 8.478 0.350 25376 4810 1 20 . 1 1 58 58 GLN N N 58 128.172 128.172 127.315 0.857 25376 4811 1 20 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.139 -0.018 25376 4812 1 20 . 1 1 58 58 GLN CA C 58 58.528 58.528 57.812 0.716 25376 4813 1 20 . 1 1 58 58 GLN CB C 58 29.950 29.950 28.380 1.571 25376 4814 1 20 . 1 1 58 58 GLN H H 58 9.222 9.222 8.416 0.806 25376 4815 1 20 . 1 1 59 59 GLN N N 59 121.709 121.709 115.126 6.583 25376 4816 1 20 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.355 0.234 25376 4817 1 20 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.606 0.003 25376 4818 1 20 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.154 0.563 25376 4819 1 20 . 1 1 59 59 GLN H H 59 9.200 9.200 7.578 1.622 25376 4820 1 20 . 1 1 60 60 CYS N N 60 119.482 119.482 117.582 1.900 25376 4821 1 20 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.740 0.054 25376 4822 1 20 . 1 1 60 60 CYS CA C 60 59.458 59.458 59.004 0.454 25376 4823 1 20 . 1 1 60 60 CYS CB C 60 32.179 32.179 27.982 4.197 25376 4824 1 20 . 1 1 60 60 CYS H H 60 8.566 8.566 7.917 0.649 25376 4825 1 20 . 1 1 61 61 GLN N N 61 115.153 115.153 116.016 -0.863 25376 4826 1 20 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.966 0.187 25376 4827 1 20 . 1 1 61 61 GLN CA C 61 57.979 57.979 56.810 1.169 25376 4828 1 20 . 1 1 61 61 GLN CB C 61 25.342 25.342 25.510 -0.168 25376 4829 1 20 . 1 1 61 61 GLN H H 61 7.672 7.672 8.326 -0.654 25376 4830 1 20 . 1 1 62 62 ALA N N 62 124.669 124.669 118.832 5.837 25376 4831 1 20 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.678 -0.241 25376 4832 1 20 . 1 1 62 62 ALA CA C 62 52.064 52.064 50.395 1.669 25376 4833 1 20 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.837 -1.015 25376 4834 1 20 . 1 1 62 62 ALA H H 62 8.728 8.728 7.520 1.208 25376 4835 1 20 . 1 1 63 63 GLU N N 63 119.649 119.649 119.650 -0.001 25376 4836 1 20 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.402 -0.365 25376 4837 1 20 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.313 0.019 25376 4838 1 20 . 1 1 63 63 GLU CB C 63 29.262 29.262 30.349 -1.087 25376 4839 1 20 . 1 1 63 63 GLU H H 63 8.523 8.523 8.584 -0.061 25376 4840 1 20 . 1 1 64 64 ALA N N 64 128.762 128.762 129.208 -0.446 25376 4841 1 20 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.667 -0.281 25376 4842 1 20 . 1 1 64 64 ALA CA C 64 50.354 50.354 50.984 -0.630 25376 4843 1 20 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.738 -1.403 25376 4844 1 20 . 1 1 64 64 ALA H H 64 8.581 8.581 8.407 0.174 25376 4845 1 20 . 1 1 65 65 LYS N N 65 122.223 122.223 124.710 -2.487 25376 4846 1 20 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.221 -0.140 25376 4847 1 20 . 1 1 65 65 LYS CA C 65 57.055 57.055 58.925 -1.870 25376 4848 1 20 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.847 -0.541 25376 4849 1 20 . 1 1 65 65 LYS H H 65 8.175 8.175 8.773 -0.598 25376 4850 1 20 . 1 1 66 66 CYS N N 66 117.296 117.296 118.490 -1.194 25376 4851 1 20 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.858 -0.166 25376 4852 1 20 . 1 1 66 66 CYS CA C 66 53.727 53.727 55.995 -2.268 25376 4853 1 20 . 1 1 66 66 CYS H H 66 8.790 8.790 8.206 0.584 25376 4854 1 20 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.691 -0.294 25376 4855 1 20 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.630 0.199 25376 4856 1 20 . 1 1 67 67 PRO CB C 67 31.785 31.785 32.354 -0.569 25376 4857 1 20 . 1 1 68 68 LYS N N 68 121.724 121.724 120.216 1.508 25376 4858 1 20 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.757 -0.472 25376 4859 1 20 . 1 1 68 68 LYS CA C 68 54.929 54.929 53.667 1.262 25376 4860 1 20 . 1 1 68 68 LYS CB C 68 33.327 33.327 35.740 -2.413 25376 4861 1 20 . 1 1 68 68 LYS H H 68 8.662 8.662 8.139 0.523 25376 4862 1 20 . 1 1 69 69 LEU N N 69 125.851 125.851 124.412 1.439 25376 4863 1 20 . 1 1 69 69 LEU HA H 69 4.474 4.474 4.991 -0.517 25376 4864 1 20 . 1 1 69 69 LEU CA C 69 54.454 54.454 53.477 0.977 25376 4865 1 20 . 1 1 69 69 LEU CB C 69 41.720 41.720 42.142 -0.422 25376 4866 1 20 . 1 1 69 69 LEU H H 69 8.320 8.320 8.573 -0.253 25376 4867 1 20 . 1 1 70 70 LEU N N 70 128.488 128.488 125.568 2.920 25376 4868 1 20 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.173 0.475 25376 4869 1 20 . 1 1 70 70 LEU CA C 70 53.127 53.127 54.829 -1.702 25376 4870 1 20 . 1 1 70 70 LEU CB C 70 42.832 42.832 41.466 1.366 25376 4871 1 20 . 1 1 70 70 LEU H H 70 8.677 8.677 7.816 0.861 25376 4872 1 20 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.356 -0.080 25376 4873 1 20 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.511 0.279 25376 4874 1 20 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.506 -0.046 25376 4875 1 20 . 1 1 72 72 CYS N N 72 112.135 112.135 115.465 -3.330 25376 4876 1 20 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.578 -0.304 25376 4877 1 20 . 1 1 72 72 CYS CA C 72 57.194 57.194 58.049 -0.855 25376 4878 1 20 . 1 1 72 72 CYS CB C 72 31.085 31.085 25.839 5.246 25376 4879 1 20 . 1 1 72 72 CYS H H 72 7.204 7.204 7.733 -0.529 25376 4880 1 20 . 1 1 73 73 LEU N N 73 114.341 114.341 116.767 -2.426 25376 4881 1 20 . 1 1 73 73 LEU HA H 73 3.868 3.868 3.933 -0.065 25376 4882 1 20 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.356 1.144 25376 4883 1 20 . 1 1 73 73 LEU CB C 73 37.671 37.671 39.044 -1.373 25376 4884 1 20 . 1 1 73 73 LEU H H 73 8.043 8.043 7.435 0.608 25376 4885 1 20 . 1 1 74 74 HIS N N 74 120.386 120.386 116.839 3.547 25376 4886 1 20 . 1 1 74 74 HIS HA H 74 4.990 4.990 4.600 0.390 25376 4887 1 20 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.096 4.576 25376 4888 1 20 . 1 1 74 74 HIS CB C 74 31.354 31.354 31.388 -0.034 25376 4889 1 20 . 1 1 74 74 HIS H H 74 7.831 7.831 7.299 0.532 25376 4890 1 20 . 1 1 75 75 THR N N 75 118.963 118.963 117.122 1.841 25376 4891 1 20 . 1 1 75 75 THR HA H 75 4.730 4.730 4.656 0.074 25376 4892 1 20 . 1 1 75 75 THR CA C 75 62.185 62.185 62.158 0.027 25376 4893 1 20 . 1 1 75 75 THR CB C 75 69.640 69.640 69.161 0.479 25376 4894 1 20 . 1 1 75 75 THR H H 75 8.889 8.889 8.386 0.503 25376 4895 1 20 . 1 1 76 76 LEU N N 76 128.330 128.330 127.166 1.164 25376 4896 1 20 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.952 0.981 25376 4897 1 20 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.048 -1.539 25376 4898 1 20 . 1 1 76 76 LEU CB C 76 46.194 46.194 46.848 -0.654 25376 4899 1 20 . 1 1 76 76 LEU H H 76 8.767 8.767 8.070 0.697 25376 4900 1 20 . 1 1 77 77 CYS N N 77 119.360 119.360 117.008 2.352 25376 4901 1 20 . 1 1 77 77 CYS HA H 77 4.732 4.732 4.970 -0.238 25376 4902 1 20 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.337 0.532 25376 4903 1 20 . 1 1 77 77 CYS CB C 77 31.698 31.698 29.390 2.308 25376 4904 1 20 . 1 1 77 77 CYS H H 77 9.510 9.510 8.362 1.148 25376 4905 1 20 . 1 1 78 78 SER N N 78 114.841 114.841 117.746 -2.905 25376 4906 1 20 . 1 1 78 78 SER HA H 78 4.037 4.037 4.134 -0.097 25376 4907 1 20 . 1 1 78 78 SER CA C 78 61.756 61.756 61.811 -0.055 25376 4908 1 20 . 1 1 78 78 SER CB C 78 62.254 62.254 62.627 -0.372 25376 4909 1 20 . 1 1 78 78 SER H H 78 8.593 8.593 8.714 -0.121 25376 4910 1 20 . 1 1 79 79 GLY N N 79 111.904 111.904 109.660 2.244 25376 4911 1 20 . 1 1 79 79 GLY CA C 79 46.777 46.777 47.011 -0.234 25376 4912 1 20 . 1 1 79 79 GLY H H 79 8.391 8.391 8.825 -0.434 25376 4913 1 20 . 1 1 80 80 CYS N N 80 126.807 126.807 120.107 6.700 25376 4914 1 20 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.484 -0.530 25376 4915 1 20 . 1 1 80 80 CYS CA C 80 65.189 65.189 61.461 3.728 25376 4916 1 20 . 1 1 80 80 CYS CB C 80 28.846 28.846 25.976 2.870 25376 4917 1 20 . 1 1 80 80 CYS H H 80 9.039 9.039 7.713 1.326 25376 4918 1 20 . 1 1 81 81 LEU N N 81 120.440 120.440 121.306 -0.866 25376 4919 1 20 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.044 0.088 25376 4920 1 20 . 1 1 81 81 LEU CA C 81 57.443 57.443 57.797 -0.353 25376 4921 1 20 . 1 1 81 81 LEU CB C 81 41.782 41.782 40.761 1.021 25376 4922 1 20 . 1 1 81 81 LEU H H 81 8.109 8.109 8.071 0.038 25376 4923 1 20 . 1 1 82 82 GLU N N 82 120.149 120.149 119.555 0.594 25376 4924 1 20 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.127 -0.090 25376 4925 1 20 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.303 0.016 25376 4926 1 20 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.887 -0.960 25376 4927 1 20 . 1 1 82 82 GLU H H 82 8.432 8.432 7.984 0.448 25376 4928 1 20 . 1 1 83 83 ALA N N 83 120.334 120.334 123.544 -3.210 25376 4929 1 20 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.212 0.087 25376 4930 1 20 . 1 1 83 83 ALA CA C 83 53.543 53.543 54.804 -1.262 25376 4931 1 20 . 1 1 83 83 ALA CB C 83 18.334 18.334 18.682 -0.348 25376 4932 1 20 . 1 1 83 83 ALA H H 83 7.715 7.715 8.265 -0.550 25376 4933 1 20 . 1 1 84 84 SER N N 84 112.368 112.368 113.729 -1.361 25376 4934 1 20 . 1 1 84 84 SER HA H 84 4.494 4.494 4.456 0.038 25376 4935 1 20 . 1 1 84 84 SER CA C 84 58.210 58.210 58.241 -0.031 25376 4936 1 20 . 1 1 84 84 SER CB C 84 63.837 63.837 63.517 0.320 25376 4937 1 20 . 1 1 84 84 SER H H 84 7.570 7.570 7.827 -0.257 25376 4938 1 20 . 1 1 85 85 GLY N N 85 110.612 110.612 110.077 0.535 25376 4939 1 20 . 1 1 85 85 GLY CA C 85 46.841 46.841 46.145 0.695 25376 4940 1 20 . 1 1 85 85 GLY H H 85 7.955 7.955 7.529 0.426 25376 4941 1 20 . 1 1 86 86 MET N N 86 113.856 113.856 113.111 0.745 25376 4942 1 20 . 1 1 86 86 MET HA H 86 3.804 3.804 3.941 -0.137 25376 4943 1 20 . 1 1 86 86 MET CA C 86 55.160 55.160 56.161 -1.001 25376 4944 1 20 . 1 1 86 86 MET CB C 86 28.494 28.494 29.881 -1.387 25376 4945 1 20 . 1 1 86 86 MET H H 86 8.489 8.489 8.159 0.330 25376 4946 1 20 . 1 1 87 87 GLN N N 87 116.394 116.394 118.425 -2.031 25376 4947 1 20 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.189 0.260 25376 4948 1 20 . 1 1 87 87 GLN CA C 87 53.404 53.404 57.373 -3.969 25376 4949 1 20 . 1 1 87 87 GLN CB C 87 30.964 30.964 29.915 1.049 25376 4950 1 20 . 1 1 87 87 GLN H H 87 7.188 7.188 7.826 -0.638 25376 4951 1 20 . 1 1 88 88 CYS N N 88 124.484 124.484 118.865 5.619 25376 4952 1 20 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.744 -0.444 25376 4953 1 20 . 1 1 88 88 CYS CA C 88 57.101 57.101 57.130 -0.029 25376 4954 1 20 . 1 1 88 88 CYS CB C 88 31.117 31.117 26.438 4.679 25376 4955 1 20 . 1 1 88 88 CYS H H 88 8.616 8.616 8.547 0.069 25376 4956 1 20 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.306 0.203 25376 4957 1 20 . 1 1 89 89 PRO CA C 89 63.715 63.715 65.085 -1.370 25376 4958 1 20 . 1 1 89 89 PRO CB C 89 31.717 31.717 31.959 -0.242 25376 4959 1 20 . 1 1 90 90 ILE N N 90 123.484 123.484 116.790 6.694 25376 4960 1 20 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.714 0.069 25376 4961 1 20 . 1 1 90 90 ILE CA C 90 62.878 62.878 60.749 2.129 25376 4962 1 20 . 1 1 90 90 ILE CB C 90 37.483 37.483 35.506 1.977 25376 4963 1 20 . 1 1 90 90 ILE H H 90 8.908 8.908 7.896 1.012 25376 4964 1 20 . 1 1 91 91 CYS N N 91 120.890 120.890 117.945 2.945 25376 4965 1 20 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.163 0.354 25376 4966 1 20 . 1 1 91 91 CYS CA C 91 60.891 60.891 60.545 0.346 25376 4967 1 20 . 1 1 91 91 CYS CB C 91 31.244 31.244 25.770 5.474 25376 4968 1 20 . 1 1 91 91 CYS H H 91 8.587 8.587 7.507 1.080 25376 4969 1 20 . 1 1 92 92 GLN N N 92 116.563 116.563 119.546 -2.983 25376 4970 1 20 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.244 -0.112 25376 4971 1 20 . 1 1 92 92 GLN CA C 92 56.824 56.824 56.972 -0.148 25376 4972 1 20 . 1 1 92 92 GLN CB C 92 27.216 27.216 29.003 -1.786 25376 4973 1 20 . 1 1 92 92 GLN H H 92 7.787 7.787 7.871 -0.084 25376 4974 1 20 . 1 1 93 93 ALA N N 93 125.273 125.273 122.081 3.192 25376 4975 1 20 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.804 -0.243 25376 4976 1 20 . 1 1 93 93 ALA CA C 93 50.862 50.862 49.261 1.601 25376 4977 1 20 . 1 1 93 93 ALA CB C 93 18.415 18.415 19.816 -1.401 25376 4978 1 20 . 1 1 93 93 ALA H H 93 8.031 8.031 7.426 0.605 25376 4979 1 20 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.630 -0.092 25376 4980 1 20 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.475 0.038 25376 4981 1 20 . 1 1 94 94 PRO CB C 94 31.684 31.684 29.586 2.098 25376 4982 1 20 . 1 1 95 95 TRP N N 95 121.986 121.986 124.584 -2.598 25376 4983 1 20 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.534 0.508 25376 4984 1 20 . 1 1 95 95 TRP CA C 95 54.005 54.005 55.375 -1.370 25376 4985 1 20 . 1 1 95 95 TRP CB C 95 28.846 28.846 28.648 0.198 25376 4986 1 20 . 1 1 95 95 TRP H H 95 8.012 8.012 8.415 -0.403 25376 4987 1 20 . 1 1 96 96 PRO HA H 96 4.490 4.490 4.013 0.477 25376 4988 1 20 . 1 1 96 96 PRO CA C 96 62.900 62.900 62.431 0.469 25376 4989 1 20 . 1 1 96 96 PRO CB C 96 31.550 31.550 31.670 -0.120 25376 4990 1 20 . 1 1 97 97 LEU N N 97 122.075 122.075 123.630 -1.555 25376 4991 1 20 . 1 1 97 97 LEU HA H 97 4.299 4.299 3.539 0.760 25376 4992 1 20 . 1 1 97 97 LEU CA C 97 55.206 55.206 55.286 -0.080 25376 4993 1 20 . 1 1 97 97 LEU CB C 97 42.046 42.046 42.110 -0.064 25376 4994 1 20 . 1 1 97 97 LEU H H 97 8.224 8.224 7.952 0.272 25376 4995 1 20 . 1 1 98 98 GLY N N 98 110.020 110.020 110.938 -0.918 25376 4996 1 20 . 1 1 98 98 GLY CA C 98 45.085 45.085 45.213 -0.128 25376 4997 1 20 . 1 1 98 98 GLY H H 98 8.444 8.444 8.094 0.350 25376 4998 1 20 . 1 1 99 99 ALA N N 99 123.511 123.511 122.036 1.475 25376 4999 1 20 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.554 -0.255 25376 5000 1 20 . 1 1 99 99 ALA CA C 99 52.249 52.249 51.867 0.382 25376 5001 1 20 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.460 -0.524 25376 5002 1 20 . 1 1 99 99 ALA H H 99 8.176 8.176 8.121 0.055 25376 5003 1 20 . 1 1 100 100 ASP N N 100 119.098 119.098 120.824 -1.726 25376 5004 1 20 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.454 0.107 25376 5005 1 20 . 1 1 100 100 ASP CA C 100 53.912 53.912 54.245 -0.333 25376 5006 1 20 . 1 1 100 100 ASP CB C 100 40.580 40.580 40.751 -0.171 25376 5007 1 20 . 1 1 100 100 ASP H H 100 8.383 8.383 7.953 0.430 25376 5008 1 20 . 1 1 101 101 THR N N 101 116.696 116.696 118.393 -1.697 25376 5009 1 20 . 1 1 101 101 THR HA H 101 4.517 4.517 4.450 0.067 25376 5010 1 20 . 1 1 101 101 THR CA C 101 59.551 59.551 60.282 -0.731 25376 5011 1 20 . 1 1 101 101 THR CB C 101 69.589 69.589 68.187 1.402 25376 5012 1 20 . 1 1 101 101 THR H H 101 8.017 8.017 7.752 0.265 25376 5013 1 20 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.365 -0.029 25376 5014 1 20 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.539 0.345 25376 5015 1 20 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.459 -0.692 25376 5016 1 20 . 1 1 103 103 ALA N N 103 125.184 125.184 122.097 3.087 25376 5017 1 20 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.473 -0.188 25376 5018 1 20 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.259 0.758 25376 5019 1 20 . 1 1 103 103 ALA CB C 103 18.974 18.974 20.187 -1.213 25376 5020 1 20 . 1 1 103 103 ALA H H 103 8.333 8.333 8.159 0.174 25376 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 3.067 -1.025 2.922 25376 2 1 1 "Average Difference" HA 57 0.293 0.021 0.295 25376 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25376 4 1 1 "Average Difference" CA 54 1.277 -0.092 1.286 25376 5 1 1 "Average Difference" CB 50 1.922 -0.236 1.926 25376 6 1 1 "Average Difference" HN 48 0.616 -0.245 0.571 25376 7 1 2 "Average Difference" N 48 2.652 -0.712 2.582 25376 8 1 2 "Average Difference" HA 57 0.310 0.021 0.312 25376 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25376 10 1 2 "Average Difference" CA 54 1.329 -0.019 1.341 25376 11 1 2 "Average Difference" CB 50 1.908 -0.339 1.897 25376 12 1 2 "Average Difference" HN 48 0.591 -0.185 0.567 25376 13 1 3 "Average Difference" N 48 2.920 -0.473 2.912 25376 14 1 3 "Average Difference" HA 57 0.274 0.016 0.276 25376 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25376 16 1 3 "Average Difference" CA 54 1.319 -0.176 1.319 25376 17 1 3 "Average Difference" CB 50 1.807 -0.428 1.773 25376 18 1 3 "Average Difference" HN 48 0.603 -0.244 0.557 25376 19 1 4 "Average Difference" N 48 3.080 -0.587 3.056 25376 20 1 4 "Average Difference" HA 57 0.293 0.015 0.295 25376 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25376 22 1 4 "Average Difference" CA 54 1.384 -0.125 1.391 25376 23 1 4 "Average Difference" CB 50 1.813 -0.261 1.812 25376 24 1 4 "Average Difference" HN 48 0.593 -0.211 0.559 25376 25 1 5 "Average Difference" N 48 2.825 -0.905 2.704 25376 26 1 5 "Average Difference" HA 57 0.314 0.038 0.314 25376 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25376 28 1 5 "Average Difference" CA 54 1.335 -0.028 1.347 25376 29 1 5 "Average Difference" CB 50 1.897 -0.350 1.883 25376 30 1 5 "Average Difference" HN 48 0.624 -0.200 0.598 25376 31 1 6 "Average Difference" N 48 3.197 -0.850 3.114 25376 32 1 6 "Average Difference" HA 57 0.300 0.047 0.299 25376 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25376 34 1 6 "Average Difference" CA 54 1.328 -0.127 1.335 25376 35 1 6 "Average Difference" CB 50 1.962 -0.188 1.972 25376 36 1 6 "Average Difference" HN 48 0.615 -0.196 0.588 25376 37 1 7 "Average Difference" N 48 3.030 -0.517 3.017 25376 38 1 7 "Average Difference" HA 57 0.296 0.022 0.298 25376 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25376 40 1 7 "Average Difference" CA 54 1.345 -0.075 1.356 25376 41 1 7 "Average Difference" CB 50 1.844 -0.346 1.830 25376 42 1 7 "Average Difference" HN 48 0.611 -0.203 0.583 25376 43 1 8 "Average Difference" N 48 2.953 -0.851 2.858 25376 44 1 8 "Average Difference" HA 57 0.298 0.069 0.292 25376 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25376 46 1 8 "Average Difference" CA 54 1.298 -0.017 1.311 25376 47 1 8 "Average Difference" CB 50 1.918 0.021 1.937 25376 48 1 8 "Average Difference" HN 48 0.561 -0.165 0.542 25376 49 1 9 "Average Difference" N 48 2.771 -0.948 2.632 25376 50 1 9 "Average Difference" HA 57 0.315 0.056 0.313 25376 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25376 52 1 9 "Average Difference" CA 54 1.290 -0.084 1.299 25376 53 1 9 "Average Difference" CB 50 1.827 -0.182 1.836 25376 54 1 9 "Average Difference" HN 48 0.618 -0.270 0.562 25376 55 1 10 "Average Difference" N 48 2.880 -0.748 2.811 25376 56 1 10 "Average Difference" HA 57 0.310 0.028 0.312 25376 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25376 58 1 10 "Average Difference" CA 54 1.330 -0.113 1.337 25376 59 1 10 "Average Difference" CB 50 1.938 -0.260 1.940 25376 60 1 10 "Average Difference" HN 48 0.610 -0.227 0.572 25376 61 1 11 "Average Difference" N 48 2.988 -0.725 2.930 25376 62 1 11 "Average Difference" HA 57 0.298 0.070 0.292 25376 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25376 64 1 11 "Average Difference" CA 54 1.297 -0.036 1.309 25376 65 1 11 "Average Difference" CB 50 1.824 -0.090 1.840 25376 66 1 11 "Average Difference" HN 48 0.595 -0.153 0.580 25376 67 1 12 "Average Difference" N 48 2.816 -1.029 2.649 25376 68 1 12 "Average Difference" HA 57 0.295 0.054 0.292 25376 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25376 70 1 12 "Average Difference" CA 54 1.317 -0.127 1.323 25376 71 1 12 "Average Difference" CB 50 1.880 -0.276 1.878 25376 72 1 12 "Average Difference" HN 48 0.629 -0.236 0.589 25376 73 1 13 "Average Difference" N 48 2.909 -0.778 2.833 25376 74 1 13 "Average Difference" HA 57 0.284 0.021 0.286 25376 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25376 76 1 13 "Average Difference" CA 54 1.296 0.061 1.307 25376 77 1 13 "Average Difference" CB 50 1.846 -0.243 1.849 25376 78 1 13 "Average Difference" HN 48 0.595 -0.243 0.549 25376 79 1 14 "Average Difference" N 48 3.024 -0.749 2.961 25376 80 1 14 "Average Difference" HA 57 0.336 0.053 0.335 25376 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25376 82 1 14 "Average Difference" CA 54 1.311 -0.087 1.321 25376 83 1 14 "Average Difference" CB 50 1.767 -0.094 1.783 25376 84 1 14 "Average Difference" HN 48 0.617 -0.193 0.593 25376 85 1 15 "Average Difference" N 48 3.054 -1.042 2.901 25376 86 1 15 "Average Difference" HA 57 0.312 0.059 0.309 25376 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25376 88 1 15 "Average Difference" CA 54 1.301 -0.001 1.313 25376 89 1 15 "Average Difference" CB 50 1.778 -0.120 1.792 25376 90 1 15 "Average Difference" HN 48 0.583 -0.169 0.564 25376 91 1 16 "Average Difference" N 48 2.850 -0.828 2.756 25376 92 1 16 "Average Difference" HA 57 0.310 0.024 0.312 25376 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25376 94 1 16 "Average Difference" CA 54 1.304 0.024 1.317 25376 95 1 16 "Average Difference" CB 50 1.872 -0.298 1.867 25376 96 1 16 "Average Difference" HN 48 0.574 -0.190 0.548 25376 97 1 17 "Average Difference" N 48 2.996 -0.801 2.918 25376 98 1 17 "Average Difference" HA 57 0.287 0.050 0.286 25376 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25376 100 1 17 "Average Difference" CA 54 1.304 -0.102 1.312 25376 101 1 17 "Average Difference" CB 50 1.944 -0.334 1.934 25376 102 1 17 "Average Difference" HN 48 0.608 -0.188 0.585 25376 103 1 18 "Average Difference" N 48 3.133 -0.680 3.091 25376 104 1 18 "Average Difference" HA 57 0.310 0.013 0.313 25376 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25376 106 1 18 "Average Difference" CA 54 1.261 -0.100 1.269 25376 107 1 18 "Average Difference" CB 50 1.954 -0.274 1.955 25376 108 1 18 "Average Difference" HN 48 0.607 -0.228 0.568 25376 109 1 19 "Average Difference" N 48 3.120 -0.879 3.025 25376 110 1 19 "Average Difference" HA 57 0.267 0.077 0.258 25376 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25376 112 1 19 "Average Difference" CA 54 1.389 -0.145 1.395 25376 113 1 19 "Average Difference" CB 50 1.768 -0.059 1.785 25376 114 1 19 "Average Difference" HN 48 0.590 -0.205 0.559 25376 115 1 20 "Average Difference" N 48 2.969 -0.499 2.957 25376 116 1 20 "Average Difference" HA 57 0.304 0.010 0.306 25376 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25376 118 1 20 "Average Difference" CA 54 1.347 -0.049 1.359 25376 119 1 20 "Average Difference" CB 50 1.824 -0.371 1.804 25376 120 1 20 "Average Difference" HN 48 0.603 -0.249 0.555 25376 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 25376 _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 50 120.583 120.583 121.812 -1.229 25376 2 1 . 1 1 50 50 GLU HA H 50 4.168 4.168 4.616 -0.448 25376 3 1 . 1 1 50 50 GLU CA C 50 56.824 56.824 55.997 0.827 25376 4 1 . 1 1 50 50 GLU CB C 50 29.718 29.718 30.800 -1.082 25376 5 1 . 1 1 50 50 GLU H H 50 8.300 8.300 8.461 -0.161 25376 6 1 . 1 1 51 51 GLU N N 51 121.142 121.142 120.925 0.217 25376 7 1 . 1 1 51 51 GLU HA H 51 4.124 4.124 4.411 -0.287 25376 8 1 . 1 1 51 51 GLU CA C 51 56.362 56.362 56.382 -0.020 25376 9 1 . 1 1 51 51 GLU CB C 51 29.727 29.727 30.586 -0.859 25376 10 1 . 1 1 51 51 GLU H H 51 8.140 8.140 8.590 -0.450 25376 11 1 . 1 1 52 52 PHE N N 52 120.500 120.500 119.390 1.110 25376 12 1 . 1 1 52 52 PHE HA H 52 4.515 4.515 4.688 -0.173 25376 13 1 . 1 1 52 52 PHE CA C 52 57.409 57.409 57.270 0.139 25376 14 1 . 1 1 52 52 PHE CB C 52 39.326 39.326 40.494 -1.168 25376 15 1 . 1 1 52 52 PHE H H 52 8.106 8.106 8.010 0.096 25376 16 1 . 1 1 53 53 GLN N N 53 121.616 121.616 123.807 -2.191 25376 17 1 . 1 1 53 53 GLN HA H 53 4.212 4.212 4.462 -0.250 25376 18 1 . 1 1 53 53 GLN CA C 53 55.345 55.345 55.372 -0.027 25376 19 1 . 1 1 53 53 GLN CB C 53 29.357 29.357 27.757 1.600 25376 20 1 . 1 1 53 53 GLN H H 53 8.047 8.047 8.493 -0.446 25376 21 1 . 1 1 54 54 PHE N N 54 120.217 120.217 120.340 -0.123 25376 22 1 . 1 1 54 54 PHE HA H 54 4.648 4.648 4.839 -0.191 25376 23 1 . 1 1 54 54 PHE CA C 54 56.824 56.824 57.026 -0.202 25376 24 1 . 1 1 54 54 PHE CB C 54 39.522 39.522 41.463 -1.941 25376 25 1 . 1 1 54 54 PHE H H 54 7.956 7.956 7.884 0.072 25376 26 1 . 1 1 55 55 LEU N N 55 123.391 123.391 121.513 1.878 25376 27 1 . 1 1 55 55 LEU HA H 55 4.386 4.386 4.736 -0.350 25376 28 1 . 1 1 55 55 LEU CA C 55 54.421 54.421 53.840 0.581 25376 29 1 . 1 1 55 55 LEU CB C 55 43.024 43.024 43.515 -0.491 25376 30 1 . 1 1 55 55 LEU H H 55 8.567 8.567 8.795 -0.228 25376 31 1 . 1 1 56 56 ARG N N 56 120.442 120.442 119.809 0.633 25376 32 1 . 1 1 56 56 ARG HA H 56 4.569 4.569 4.717 -0.148 25376 33 1 . 1 1 56 56 ARG CA C 56 54.553 54.553 54.866 -0.313 25376 34 1 . 1 1 56 56 ARG CB C 56 31.817 31.817 31.581 0.236 25376 35 1 . 1 1 56 56 ARG H H 56 8.101 8.101 8.254 -0.153 25376 36 1 . 1 1 57 57 CYS N N 57 123.891 123.891 127.405 -3.514 25376 37 1 . 1 1 57 57 CYS HA H 57 3.953 3.953 4.293 -0.340 25376 38 1 . 1 1 57 57 CYS CA C 57 59.135 59.135 59.945 -0.810 25376 39 1 . 1 1 57 57 CYS CB C 57 31.290 31.290 28.401 2.888 25376 40 1 . 1 1 57 57 CYS H H 57 8.828 8.828 8.556 0.272 25376 41 1 . 1 1 58 58 GLN N N 58 128.172 128.172 127.194 0.978 25376 42 1 . 1 1 58 58 GLN HA H 58 4.121 4.121 4.071 0.050 25376 43 1 . 1 1 58 58 GLN CA C 58 58.528 58.528 57.402 1.126 25376 44 1 . 1 1 58 58 GLN CB C 58 29.950 29.950 27.924 2.027 25376 45 1 . 1 1 58 58 GLN H H 58 9.222 9.222 8.423 0.799 25376 46 1 . 1 1 59 59 GLN N N 59 121.709 121.709 115.327 6.382 25376 47 1 . 1 1 59 59 GLN HA H 59 4.589 4.589 4.335 0.254 25376 48 1 . 1 1 59 59 GLN CA C 59 57.609 57.609 57.593 0.016 25376 49 1 . 1 1 59 59 GLN CB C 59 29.717 29.717 29.140 0.577 25376 50 1 . 1 1 59 59 GLN H H 59 9.200 9.200 7.533 1.667 25376 51 1 . 1 1 60 60 CYS N N 60 119.482 119.482 117.490 1.992 25376 52 1 . 1 1 60 60 CYS HA H 60 4.794 4.794 4.708 0.086 25376 53 1 . 1 1 60 60 CYS CA C 60 59.458 59.458 59.286 0.172 25376 54 1 . 1 1 60 60 CYS CB C 60 32.179 32.179 27.845 4.334 25376 55 1 . 1 1 60 60 CYS H H 60 8.566 8.566 7.718 0.848 25376 56 1 . 1 1 61 61 GLN N N 61 115.153 115.153 115.290 -0.137 25376 57 1 . 1 1 61 61 GLN HA H 61 4.153 4.153 3.951 0.202 25376 58 1 . 1 1 61 61 GLN CA C 61 57.979 57.979 56.801 1.178 25376 59 1 . 1 1 61 61 GLN CB C 61 25.342 25.342 25.619 -0.277 25376 60 1 . 1 1 61 61 GLN H H 61 7.672 7.672 8.424 -0.752 25376 61 1 . 1 1 62 62 ALA N N 62 124.669 124.669 119.420 5.249 25376 62 1 . 1 1 62 62 ALA HA H 62 4.437 4.437 4.623 -0.186 25376 63 1 . 1 1 62 62 ALA CA C 62 52.064 52.064 50.901 1.163 25376 64 1 . 1 1 62 62 ALA CB C 62 20.822 20.822 21.542 -0.720 25376 65 1 . 1 1 62 62 ALA H H 62 8.728 8.728 7.562 1.166 25376 66 1 . 1 1 63 63 GLU N N 63 119.649 119.649 119.159 0.490 25376 67 1 . 1 1 63 63 GLU HA H 63 4.037 4.037 4.249 -0.212 25376 68 1 . 1 1 63 63 GLU CA C 63 57.332 57.332 57.321 0.011 25376 69 1 . 1 1 63 63 GLU CB C 63 29.262 29.262 30.050 -0.788 25376 70 1 . 1 1 63 63 GLU H H 63 8.523 8.523 8.506 0.017 25376 71 1 . 1 1 64 64 ALA N N 64 128.762 128.762 128.948 -0.186 25376 72 1 . 1 1 64 64 ALA HA H 64 4.386 4.386 4.667 -0.281 25376 73 1 . 1 1 64 64 ALA CA C 64 50.354 50.354 50.930 -0.576 25376 74 1 . 1 1 64 64 ALA CB C 64 18.335 18.335 19.771 -1.436 25376 75 1 . 1 1 64 64 ALA H H 64 8.581 8.581 8.361 0.220 25376 76 1 . 1 1 65 65 LYS N N 65 122.223 122.223 124.538 -2.314 25376 77 1 . 1 1 65 65 LYS HA H 65 4.081 4.081 4.251 -0.170 25376 78 1 . 1 1 65 65 LYS CA C 65 57.055 57.055 59.102 -2.047 25376 79 1 . 1 1 65 65 LYS CB C 65 32.306 32.306 32.864 -0.558 25376 80 1 . 1 1 65 65 LYS H H 65 8.175 8.175 8.670 -0.495 25376 81 1 . 1 1 66 66 CYS N N 66 117.296 117.296 117.859 -0.563 25376 82 1 . 1 1 66 66 CYS HA H 66 4.692 4.692 4.794 -0.102 25376 83 1 . 1 1 66 66 CYS CA C 66 53.727 53.727 55.987 -2.260 25376 84 1 . 1 1 66 66 CYS H H 66 8.790 8.790 8.234 0.556 25376 85 1 . 1 1 67 67 PRO HA H 67 4.397 4.397 4.647 -0.250 25376 86 1 . 1 1 67 67 PRO CA C 67 62.829 62.829 62.702 0.127 25376 87 1 . 1 1 67 67 PRO CB C 67 31.785 31.785 32.480 -0.695 25376 88 1 . 1 1 68 68 LYS N N 68 121.724 121.724 119.601 2.123 25376 89 1 . 1 1 68 68 LYS HA H 68 4.285 4.285 4.690 -0.405 25376 90 1 . 1 1 68 68 LYS CA C 68 54.929 54.929 54.325 0.604 25376 91 1 . 1 1 68 68 LYS CB C 68 33.327 33.327 36.009 -2.682 25376 92 1 . 1 1 68 68 LYS H H 68 8.662 8.662 8.257 0.405 25376 93 1 . 1 1 69 69 LEU N N 69 125.851 125.851 123.720 2.131 25376 94 1 . 1 1 69 69 LEU HA H 69 4.474 4.474 4.940 -0.466 25376 95 1 . 1 1 69 69 LEU CA C 69 54.454 54.454 53.712 0.742 25376 96 1 . 1 1 69 69 LEU CB C 69 41.720 41.720 41.749 -0.029 25376 97 1 . 1 1 69 69 LEU H H 69 8.320 8.320 8.559 -0.239 25376 98 1 . 1 1 70 70 LEU N N 70 128.488 128.488 125.779 2.709 25376 99 1 . 1 1 70 70 LEU HA H 70 4.648 4.648 4.260 0.388 25376 100 1 . 1 1 70 70 LEU CA C 70 53.127 53.127 54.537 -1.410 25376 101 1 . 1 1 70 70 LEU CB C 70 42.832 42.832 41.619 1.213 25376 102 1 . 1 1 70 70 LEU H H 70 8.677 8.677 7.938 0.739 25376 103 1 . 1 1 71 71 PRO HA H 71 4.276 4.276 4.366 -0.090 25376 104 1 . 1 1 71 71 PRO CA C 71 64.790 64.790 64.502 0.288 25376 105 1 . 1 1 71 71 PRO CB C 71 31.460 31.460 31.605 -0.145 25376 106 1 . 1 1 72 72 CYS N N 72 112.135 112.135 115.872 -3.737 25376 107 1 . 1 1 72 72 CYS HA H 72 4.274 4.274 4.571 -0.297 25376 108 1 . 1 1 72 72 CYS CA C 72 57.194 57.194 58.461 -1.267 25376 109 1 . 1 1 72 72 CYS CB C 72 31.085 31.085 26.626 4.459 25376 110 1 . 1 1 72 72 CYS H H 72 7.204 7.204 7.941 -0.737 25376 111 1 . 1 1 73 73 LEU N N 73 114.341 114.341 115.673 -1.332 25376 112 1 . 1 1 73 73 LEU HA H 73 3.868 3.868 4.094 -0.226 25376 113 1 . 1 1 73 73 LEU CA C 73 56.500 56.500 55.300 1.200 25376 114 1 . 1 1 73 73 LEU CB C 73 37.671 37.671 39.516 -1.845 25376 115 1 . 1 1 73 73 LEU H H 73 8.043 8.043 7.487 0.555 25376 116 1 . 1 1 74 74 HIS N N 74 120.386 120.386 116.665 3.721 25376 117 1 . 1 1 74 74 HIS HA H 74 4.990 4.990 5.038 -0.048 25376 118 1 . 1 1 74 74 HIS CA C 74 58.672 58.672 54.180 4.492 25376 119 1 . 1 1 74 74 HIS CB C 74 31.354 31.354 32.240 -0.886 25376 120 1 . 1 1 74 74 HIS H H 74 7.831 7.831 7.618 0.213 25376 121 1 . 1 1 75 75 THR N N 75 118.963 118.963 117.047 1.916 25376 122 1 . 1 1 75 75 THR HA H 75 4.730 4.730 4.768 -0.038 25376 123 1 . 1 1 75 75 THR CA C 75 62.185 62.185 62.196 -0.011 25376 124 1 . 1 1 75 75 THR CB C 75 69.640 69.640 69.792 -0.152 25376 125 1 . 1 1 75 75 THR H H 75 8.889 8.889 8.396 0.493 25376 126 1 . 1 1 76 76 LEU N N 76 128.330 128.330 126.916 1.414 25376 127 1 . 1 1 76 76 LEU HA H 76 5.933 5.933 4.926 1.007 25376 128 1 . 1 1 76 76 LEU CA C 76 51.509 51.509 53.040 -1.531 25376 129 1 . 1 1 76 76 LEU CB C 76 46.194 46.194 46.990 -0.796 25376 130 1 . 1 1 76 76 LEU H H 76 8.767 8.767 8.136 0.631 25376 131 1 . 1 1 77 77 CYS N N 77 119.360 119.360 116.756 2.604 25376 132 1 . 1 1 77 77 CYS HA H 77 4.732 4.732 4.961 -0.229 25376 133 1 . 1 1 77 77 CYS CA C 77 56.870 56.870 56.451 0.419 25376 134 1 . 1 1 77 77 CYS CB C 77 31.698 31.698 29.381 2.317 25376 135 1 . 1 1 77 77 CYS H H 77 9.510 9.510 8.353 1.157 25376 136 1 . 1 1 78 78 SER N N 78 114.841 114.841 117.790 -2.949 25376 137 1 . 1 1 78 78 SER HA H 78 4.037 4.037 4.146 -0.109 25376 138 1 . 1 1 78 78 SER CA C 78 61.756 61.756 61.811 -0.055 25376 139 1 . 1 1 78 78 SER CB C 78 62.254 62.254 63.102 -0.848 25376 140 1 . 1 1 78 78 SER H H 78 8.593 8.593 8.591 0.002 25376 141 1 . 1 1 79 79 GLY N N 79 111.904 111.904 108.654 3.250 25376 142 1 . 1 1 79 79 GLY CA C 79 46.777 46.777 46.921 -0.144 25376 143 1 . 1 1 79 79 GLY H H 79 8.391 8.391 8.655 -0.264 25376 144 1 . 1 1 80 80 CYS N N 80 126.807 126.807 119.921 6.886 25376 145 1 . 1 1 80 80 CYS HA H 80 3.954 3.954 4.372 -0.418 25376 146 1 . 1 1 80 80 CYS CA C 80 65.189 65.189 61.835 3.354 25376 147 1 . 1 1 80 80 CYS CB C 80 28.846 28.846 26.038 2.808 25376 148 1 . 1 1 80 80 CYS H H 80 9.039 9.039 7.761 1.278 25376 149 1 . 1 1 81 81 LEU N N 81 120.440 120.440 121.446 -1.006 25376 150 1 . 1 1 81 81 LEU HA H 81 4.132 4.132 4.053 0.079 25376 151 1 . 1 1 81 81 LEU CA C 81 57.443 57.443 57.909 -0.466 25376 152 1 . 1 1 81 81 LEU CB C 81 41.782 41.782 40.862 0.920 25376 153 1 . 1 1 81 81 LEU H H 81 8.109 8.109 8.057 0.052 25376 154 1 . 1 1 82 82 GLU N N 82 120.149 120.149 119.421 0.728 25376 155 1 . 1 1 82 82 GLU HA H 82 4.037 4.037 4.132 -0.095 25376 156 1 . 1 1 82 82 GLU CA C 82 59.319 59.319 59.238 0.081 25376 157 1 . 1 1 82 82 GLU CB C 82 28.927 28.927 29.916 -0.989 25376 158 1 . 1 1 82 82 GLU H H 82 8.432 8.432 7.954 0.478 25376 159 1 . 1 1 83 83 ALA N N 83 120.334 120.334 123.319 -2.985 25376 160 1 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.213 0.086 25376 161 1 . 1 1 83 83 ALA CA C 83 53.543 53.543 54.698 -1.155 25376 162 1 . 1 1 83 83 ALA CB C 83 18.334 18.334 18.756 -0.422 25376 163 1 . 1 1 83 83 ALA H H 83 7.715 7.715 8.142 -0.427 25376 164 1 . 1 1 84 84 SER N N 84 112.368 112.368 113.711 -1.343 25376 165 1 . 1 1 84 84 SER HA H 84 4.494 4.494 4.496 -0.002 25376 166 1 . 1 1 84 84 SER CA C 84 58.210 58.210 57.812 0.398 25376 167 1 . 1 1 84 84 SER CB C 84 63.837 63.837 63.356 0.481 25376 168 1 . 1 1 84 84 SER H H 84 7.570 7.570 7.869 -0.299 25376 169 1 . 1 1 85 85 GLY N N 85 110.612 110.612 110.116 0.496 25376 170 1 . 1 1 85 85 GLY CA C 85 46.841 46.841 46.074 0.767 25376 171 1 . 1 1 85 85 GLY H H 85 7.955 7.955 7.478 0.477 25376 172 1 . 1 1 86 86 MET N N 86 113.856 113.856 112.832 1.023 25376 173 1 . 1 1 86 86 MET HA H 86 3.804 3.804 3.956 -0.152 25376 174 1 . 1 1 86 86 MET CA C 86 55.160 55.160 56.251 -1.091 25376 175 1 . 1 1 86 86 MET CB C 86 28.494 28.494 29.827 -1.333 25376 176 1 . 1 1 86 86 MET H H 86 8.489 8.489 8.176 0.313 25376 177 1 . 1 1 87 87 GLN N N 87 116.394 116.394 118.019 -1.625 25376 178 1 . 1 1 87 87 GLN HA H 87 4.449 4.449 4.199 0.250 25376 179 1 . 1 1 87 87 GLN CA C 87 53.404 53.404 57.413 -4.008 25376 180 1 . 1 1 87 87 GLN CB C 87 30.964 30.964 29.930 1.034 25376 181 1 . 1 1 87 87 GLN H H 87 7.188 7.188 7.775 -0.587 25376 182 1 . 1 1 88 88 CYS N N 88 124.484 124.484 119.207 5.277 25376 183 1 . 1 1 88 88 CYS HA H 88 4.300 4.300 4.866 -0.566 25376 184 1 . 1 1 88 88 CYS CA C 88 57.101 57.101 56.741 0.360 25376 185 1 . 1 1 88 88 CYS CB C 88 31.117 31.117 26.577 4.540 25376 186 1 . 1 1 88 88 CYS H H 88 8.616 8.616 8.605 0.011 25376 187 1 . 1 1 89 89 PRO HA H 89 4.509 4.509 4.354 0.155 25376 188 1 . 1 1 89 89 PRO CA C 89 63.715 63.715 65.005 -1.290 25376 189 1 . 1 1 89 89 PRO CB C 89 31.717 31.717 32.028 -0.311 25376 190 1 . 1 1 90 90 ILE N N 90 123.484 123.484 117.062 6.422 25376 191 1 . 1 1 90 90 ILE HA H 90 3.783 3.783 3.760 0.023 25376 192 1 . 1 1 90 90 ILE CA C 90 62.878 62.878 60.958 1.920 25376 193 1 . 1 1 90 90 ILE CB C 90 37.483 37.483 35.640 1.843 25376 194 1 . 1 1 90 90 ILE H H 90 8.908 8.908 7.939 0.969 25376 195 1 . 1 1 91 91 CYS N N 91 120.890 120.890 117.758 3.132 25376 196 1 . 1 1 91 91 CYS HA H 91 4.517 4.517 4.210 0.307 25376 197 1 . 1 1 91 91 CYS CA C 91 60.891 60.891 60.518 0.372 25376 198 1 . 1 1 91 91 CYS CB C 91 31.244 31.244 25.845 5.399 25376 199 1 . 1 1 91 91 CYS H H 91 8.587 8.587 7.713 0.874 25376 200 1 . 1 1 92 92 GLN N N 92 116.563 116.563 118.834 -2.271 25376 201 1 . 1 1 92 92 GLN HA H 92 4.132 4.132 4.174 -0.042 25376 202 1 . 1 1 92 92 GLN CA C 92 56.824 56.824 57.222 -0.398 25376 203 1 . 1 1 92 92 GLN CB C 92 27.216 27.216 29.125 -1.909 25376 204 1 . 1 1 92 92 GLN H H 92 7.787 7.787 7.754 0.033 25376 205 1 . 1 1 93 93 ALA N N 93 125.273 125.273 122.051 3.222 25376 206 1 . 1 1 93 93 ALA HA H 93 4.561 4.561 4.735 -0.174 25376 207 1 . 1 1 93 93 ALA CA C 93 50.862 50.862 49.442 1.420 25376 208 1 . 1 1 93 93 ALA CB C 93 18.415 18.415 19.768 -1.353 25376 209 1 . 1 1 93 93 ALA H H 93 8.031 8.031 7.473 0.558 25376 210 1 . 1 1 94 94 PRO HA H 94 4.538 4.538 4.587 -0.049 25376 211 1 . 1 1 94 94 PRO CA C 94 62.513 62.513 62.701 -0.188 25376 212 1 . 1 1 94 94 PRO CB C 94 31.684 31.684 30.347 1.337 25376 213 1 . 1 1 95 95 TRP N N 95 121.986 121.986 125.180 -3.194 25376 214 1 . 1 1 95 95 TRP HA H 95 5.042 5.042 4.741 0.301 25376 215 1 . 1 1 95 95 TRP CA C 95 54.005 54.005 54.435 -0.430 25376 216 1 . 1 1 95 95 TRP CB C 95 28.846 28.846 28.490 0.356 25376 217 1 . 1 1 95 95 TRP H H 95 8.012 8.012 8.292 -0.280 25376 218 1 . 1 1 96 96 PRO HA H 96 4.490 4.490 4.180 0.310 25376 219 1 . 1 1 96 96 PRO CA C 96 62.900 62.900 62.495 0.405 25376 220 1 . 1 1 96 96 PRO CB C 96 31.550 31.550 31.827 -0.277 25376 221 1 . 1 1 97 97 LEU N N 97 122.075 122.075 121.539 0.536 25376 222 1 . 1 1 97 97 LEU HA H 97 4.299 4.299 3.911 0.388 25376 223 1 . 1 1 97 97 LEU CA C 97 55.206 55.206 54.516 0.690 25376 224 1 . 1 1 97 97 LEU CB C 97 42.046 42.046 42.468 -0.422 25376 225 1 . 1 1 97 97 LEU H H 97 8.224 8.224 7.873 0.351 25376 226 1 . 1 1 98 98 GLY N N 98 110.020 110.020 107.570 2.450 25376 227 1 . 1 1 98 98 GLY CA C 98 45.085 45.085 45.195 -0.110 25376 228 1 . 1 1 98 98 GLY H H 98 8.444 8.444 8.512 -0.068 25376 229 1 . 1 1 99 99 ALA N N 99 123.511 123.511 123.709 -0.198 25376 230 1 . 1 1 99 99 ALA HA H 99 4.299 4.299 4.478 -0.179 25376 231 1 . 1 1 99 99 ALA CA C 99 52.249 52.249 51.824 0.425 25376 232 1 . 1 1 99 99 ALA CB C 99 18.936 18.936 19.384 -0.448 25376 233 1 . 1 1 99 99 ALA H H 99 8.176 8.176 8.073 0.103 25376 234 1 . 1 1 100 100 ASP N N 100 119.098 119.098 121.756 -2.658 25376 235 1 . 1 1 100 100 ASP HA H 100 4.561 4.561 4.715 -0.154 25376 236 1 . 1 1 100 100 ASP CA C 100 53.912 53.912 54.355 -0.443 25376 237 1 . 1 1 100 100 ASP CB C 100 40.580 40.580 41.210 -0.630 25376 238 1 . 1 1 100 100 ASP H H 100 8.383 8.383 8.322 0.061 25376 239 1 . 1 1 101 101 THR N N 101 116.696 116.696 116.989 -0.293 25376 240 1 . 1 1 101 101 THR HA H 101 4.517 4.517 4.574 -0.057 25376 241 1 . 1 1 101 101 THR CA C 101 59.551 59.551 59.703 -0.152 25376 242 1 . 1 1 101 101 THR CB C 101 69.589 69.589 69.486 0.103 25376 243 1 . 1 1 101 101 THR H H 101 8.017 8.017 7.982 0.035 25376 244 1 . 1 1 102 102 PRO HA H 102 4.336 4.336 4.441 -0.105 25376 245 1 . 1 1 102 102 PRO CA C 102 62.884 62.884 62.448 0.436 25376 246 1 . 1 1 102 102 PRO CB C 102 31.767 31.767 32.439 -0.672 25376 247 1 . 1 1 103 103 ALA N N 103 125.184 125.184 122.802 2.382 25376 248 1 . 1 1 103 103 ALA HA H 103 4.285 4.285 4.333 -0.048 25376 249 1 . 1 1 103 103 ALA CA C 103 52.017 52.017 51.493 0.524 25376 250 1 . 1 1 103 103 ALA CB C 103 18.974 18.974 19.470 -0.496 25376 251 1 . 1 1 103 103 ALA H H 103 8.333 8.333 8.169 0.164 25376 stop_ save_