data_25065 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25065 _Entry.PDB_ID 2MR8 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 25065 _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 3 3 MET HA H 3 4.414 4.414 4.456 -0.042 25065 2 1 1 . 1 1 3 3 MET H H 3 8.447 8.447 8.408 0.039 25065 3 1 1 . 1 1 5 5 LYS HA H 5 4.253 4.253 4.009 0.244 25065 4 1 1 . 1 1 5 5 LYS CA C 5 55.810 55.810 56.236 -0.426 25065 5 1 1 . 1 1 6 6 ALA HA H 6 4.551 4.551 4.375 0.176 25065 6 1 1 . 1 1 6 6 ALA CB C 6 17.947 17.947 19.141 -1.194 25065 7 1 1 . 1 1 6 6 ALA H H 6 8.400 8.400 7.639 0.761 25065 8 1 1 . 1 1 7 7 PRO HA H 7 4.318 4.318 4.554 -0.236 25065 9 1 1 . 1 1 7 7 PRO CB C 7 31.974 31.974 32.978 -1.004 25065 10 1 1 . 1 1 8 8 GLU HA H 8 4.366 4.366 4.563 -0.197 25065 11 1 1 . 1 1 8 8 GLU CB C 8 30.764 30.764 30.686 0.078 25065 12 1 1 . 1 1 8 8 GLU H H 8 8.738 8.738 8.197 0.541 25065 13 1 1 . 1 1 9 9 SER HA H 9 4.521 4.521 4.585 -0.064 25065 14 1 1 . 1 1 9 9 SER CB C 9 65.043 65.043 64.321 0.722 25065 15 1 1 . 1 1 9 9 SER H H 9 8.724 8.724 8.971 -0.247 25065 16 1 1 . 1 1 10 10 ALA HA H 10 4.082 4.082 4.096 -0.014 25065 17 1 1 . 1 1 10 10 ALA CB C 10 18.166 18.166 18.731 -0.565 25065 18 1 1 . 1 1 10 10 ALA H H 10 8.547 8.547 8.733 -0.186 25065 19 1 1 . 1 1 11 11 THR HA H 11 3.809 3.809 4.090 -0.281 25065 20 1 1 . 1 1 11 11 THR CA C 11 66.711 66.711 66.655 0.056 25065 21 1 1 . 1 1 11 11 THR CB C 11 68.400 68.400 68.602 -0.202 25065 22 1 1 . 1 1 11 11 THR H H 11 8.186 8.186 8.316 -0.130 25065 23 1 1 . 1 1 12 12 GLU HA H 12 3.576 3.576 3.926 -0.350 25065 24 1 1 . 1 1 12 12 GLU CA C 12 60.604 60.604 59.594 1.010 25065 25 1 1 . 1 1 12 12 GLU CB C 12 29.805 29.805 29.113 0.692 25065 26 1 1 . 1 1 12 12 GLU H H 12 8.073 8.073 8.643 -0.570 25065 27 1 1 . 1 1 13 13 LYS HA H 13 3.888 3.888 4.111 -0.223 25065 28 1 1 . 1 1 13 13 LYS CA C 13 60.352 60.352 59.422 0.930 25065 29 1 1 . 1 1 13 13 LYS CB C 13 32.257 32.257 32.316 -0.059 25065 30 1 1 . 1 1 13 13 LYS H H 13 8.180 8.180 7.943 0.237 25065 31 1 1 . 1 1 14 14 VAL HA H 14 3.777 3.777 3.834 -0.057 25065 32 1 1 . 1 1 14 14 VAL CA C 14 66.089 66.089 65.379 0.710 25065 33 1 1 . 1 1 14 14 VAL CB C 14 31.861 31.861 31.689 0.172 25065 34 1 1 . 1 1 14 14 VAL H H 14 7.760 7.760 7.434 0.326 25065 35 1 1 . 1 1 15 15 LEU HA H 15 3.972 3.972 4.094 -0.122 25065 36 1 1 . 1 1 15 15 LEU CB C 15 42.097 42.097 41.623 0.473 25065 37 1 1 . 1 1 15 15 LEU H H 15 8.326 8.326 7.678 0.648 25065 38 1 1 . 1 1 16 16 CYS HA H 16 3.638 3.638 3.781 -0.143 25065 39 1 1 . 1 1 16 16 CYS CA C 16 65.055 65.055 64.224 0.831 25065 40 1 1 . 1 1 16 16 CYS CB C 16 26.610 26.610 26.517 0.094 25065 41 1 1 . 1 1 16 16 CYS H H 16 8.531 8.531 8.618 -0.087 25065 42 1 1 . 1 1 17 17 ALA HA H 17 4.203 4.203 4.092 0.111 25065 43 1 1 . 1 1 17 17 ALA CA C 17 55.289 55.289 55.234 0.055 25065 44 1 1 . 1 1 17 17 ALA CB C 17 17.539 17.539 18.288 -0.749 25065 45 1 1 . 1 1 17 17 ALA H H 17 7.629 7.629 7.743 -0.114 25065 46 1 1 . 1 1 18 18 LEU HA H 18 4.226 4.226 4.145 0.081 25065 47 1 1 . 1 1 18 18 LEU CA C 18 57.699 57.699 57.401 0.298 25065 48 1 1 . 1 1 18 18 LEU CB C 18 42.382 42.382 40.664 1.718 25065 49 1 1 . 1 1 18 18 LEU H H 18 8.673 8.673 8.216 0.457 25065 50 1 1 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.333 -0.357 25065 51 1 1 . 1 1 19 19 TYR CB C 19 39.575 39.575 37.337 2.238 25065 52 1 1 . 1 1 19 19 TYR H H 19 9.180 9.180 8.764 0.416 25065 53 1 1 . 1 1 20 20 ALA HA H 20 3.885 3.885 3.953 -0.068 25065 54 1 1 . 1 1 20 20 ALA CA C 20 55.942 55.942 55.310 0.632 25065 55 1 1 . 1 1 20 20 ALA CB C 20 17.847 17.847 18.039 -0.192 25065 56 1 1 . 1 1 20 20 ALA H H 20 7.772 7.772 8.289 -0.517 25065 57 1 1 . 1 1 21 21 GLU HA H 21 3.995 3.995 4.090 -0.095 25065 58 1 1 . 1 1 21 21 GLU CA C 21 58.905 58.905 59.230 -0.325 25065 59 1 1 . 1 1 21 21 GLU CB C 21 30.342 30.342 29.677 0.665 25065 60 1 1 . 1 1 22 22 ILE HA H 22 3.917 3.917 3.952 -0.035 25065 61 1 1 . 1 1 22 22 ILE CA C 22 61.642 61.642 63.522 -1.880 25065 62 1 1 . 1 1 22 22 ILE CB C 22 37.107 37.107 38.563 -1.456 25065 63 1 1 . 1 1 22 22 ILE H H 22 8.299 8.299 7.417 0.882 25065 64 1 1 . 1 1 23 23 LEU HA H 23 4.134 4.134 4.265 -0.131 25065 65 1 1 . 1 1 23 23 LEU CA C 23 55.302 55.302 55.316 -0.014 25065 66 1 1 . 1 1 23 23 LEU CB C 23 42.218 42.218 42.010 0.208 25065 67 1 1 . 1 1 23 23 LEU H H 23 8.477 8.477 8.136 0.341 25065 68 1 1 . 1 1 24 24 GLY CA C 24 46.801 46.801 45.597 1.204 25065 69 1 1 . 1 1 24 24 GLY H H 24 7.853 7.853 8.277 -0.424 25065 70 1 1 . 1 1 25 25 VAL HA H 25 4.590 4.590 4.503 0.087 25065 71 1 1 . 1 1 25 25 VAL CB C 25 34.203 34.203 33.426 0.777 25065 72 1 1 . 1 1 25 25 VAL H H 25 7.349 7.349 7.323 0.026 25065 73 1 1 . 1 1 26 26 GLU HA H 26 4.029 4.029 4.197 -0.168 25065 74 1 1 . 1 1 26 26 GLU CA C 26 58.870 58.870 58.329 0.541 25065 75 1 1 . 1 1 26 26 GLU CB C 26 30.613 30.613 30.155 0.458 25065 76 1 1 . 1 1 26 26 GLU H H 26 8.416 8.416 8.516 -0.100 25065 77 1 1 . 1 1 27 27 ARG HA H 27 4.464 4.464 4.477 -0.013 25065 78 1 1 . 1 1 27 27 ARG CB C 27 32.007 32.007 32.361 -0.353 25065 79 1 1 . 1 1 27 27 ARG H H 27 7.729 7.729 7.679 0.050 25065 80 1 1 . 1 1 28 28 VAL HA H 28 4.077 4.077 4.347 -0.270 25065 81 1 1 . 1 1 28 28 VAL CA C 28 61.719 61.719 61.361 0.358 25065 82 1 1 . 1 1 28 28 VAL CB C 28 34.774 34.774 34.800 -0.026 25065 83 1 1 . 1 1 28 28 VAL H H 28 8.344 8.344 8.330 0.014 25065 84 1 1 . 1 1 29 29 GLY H H 29 9.223 9.223 9.202 0.021 25065 85 1 1 . 1 1 30 30 VAL HA H 30 3.581 3.581 3.919 -0.338 25065 86 1 1 . 1 1 30 30 VAL CA C 30 64.307 64.307 63.403 0.904 25065 87 1 1 . 1 1 30 30 VAL CB C 30 31.617 31.617 31.322 0.295 25065 88 1 1 . 1 1 30 30 VAL H H 30 8.155 8.155 8.404 -0.249 25065 89 1 1 . 1 1 31 31 ASP HA H 31 5.041 5.041 4.598 0.443 25065 90 1 1 . 1 1 31 31 ASP CB C 31 41.177 41.177 40.815 0.362 25065 91 1 1 . 1 1 31 31 ASP H H 31 8.149 8.149 8.305 -0.156 25065 92 1 1 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.684 -0.062 25065 93 1 1 . 1 1 32 32 ASP CB C 32 41.799 41.799 41.510 0.289 25065 94 1 1 . 1 1 32 32 ASP H H 32 7.289 7.289 7.598 -0.309 25065 95 1 1 . 1 1 33 33 ALA HA H 33 4.093 4.093 4.630 -0.537 25065 96 1 1 . 1 1 33 33 ALA CA C 33 51.549 51.549 51.646 -0.097 25065 97 1 1 . 1 1 33 33 ALA CB C 33 19.554 19.554 20.240 -0.686 25065 98 1 1 . 1 1 33 33 ALA H H 33 8.885 8.885 8.692 0.193 25065 99 1 1 . 1 1 34 34 PHE HA H 34 3.956 3.956 4.103 -0.147 25065 100 1 1 . 1 1 34 34 PHE CA C 34 62.655 62.655 62.833 -0.178 25065 101 1 1 . 1 1 34 34 PHE CB C 34 40.196 40.196 39.594 0.602 25065 102 1 1 . 1 1 34 34 PHE H H 34 8.409 8.409 9.044 -0.635 25065 103 1 1 . 1 1 36 36 ASP HA H 36 4.494 4.494 4.355 0.139 25065 104 1 1 . 1 1 36 36 ASP CB C 36 40.185 40.185 40.570 -0.385 25065 105 1 1 . 1 1 37 37 LEU HA H 37 4.347 4.347 4.244 0.103 25065 106 1 1 . 1 1 37 37 LEU CB C 37 43.535 43.535 42.273 1.262 25065 107 1 1 . 1 1 37 37 LEU H H 37 7.059 7.059 7.442 -0.383 25065 108 1 1 . 1 1 38 38 GLY CA C 38 44.575 44.575 44.798 -0.223 25065 109 1 1 . 1 1 38 38 GLY H H 38 7.451 7.451 7.799 -0.348 25065 110 1 1 . 1 1 39 39 GLY CA C 39 46.469 46.469 44.605 1.864 25065 111 1 1 . 1 1 39 39 GLY H H 39 7.624 7.624 7.748 -0.124 25065 112 1 1 . 1 1 40 40 SER HA H 40 4.936 4.936 4.970 -0.034 25065 113 1 1 . 1 1 40 40 SER CB C 40 66.690 66.690 66.443 0.247 25065 114 1 1 . 1 1 40 40 SER H H 40 6.796 6.796 8.401 -1.605 25065 115 1 1 . 1 1 42 42 ALA HA H 42 4.194 4.194 4.190 0.004 25065 116 1 1 . 1 1 42 42 ALA CB C 42 18.306 18.306 18.414 -0.108 25065 117 1 1 . 1 1 43 43 LEU HA H 43 4.163 4.163 4.156 0.007 25065 118 1 1 . 1 1 43 43 LEU CB C 43 41.833 41.833 41.796 0.037 25065 119 1 1 . 1 1 44 44 ALA HA H 44 3.612 3.612 3.299 0.313 25065 120 1 1 . 1 1 44 44 ALA CA C 44 54.838 54.838 54.602 0.236 25065 121 1 1 . 1 1 44 44 ALA CB C 44 18.153 18.153 17.739 0.414 25065 122 1 1 . 1 1 44 44 ALA H H 44 8.864 8.864 7.985 0.879 25065 123 1 1 . 1 1 45 45 MET HA H 45 4.200 4.200 3.923 0.277 25065 124 1 1 . 1 1 45 45 MET CA C 45 58.019 58.019 59.129 -1.110 25065 125 1 1 . 1 1 45 45 MET CB C 45 31.141 31.141 32.643 -1.502 25065 126 1 1 . 1 1 45 45 MET H H 45 7.669 7.669 7.582 0.087 25065 127 1 1 . 1 1 46 46 ARG HA H 46 4.187 4.187 4.078 0.109 25065 128 1 1 . 1 1 46 46 ARG CB C 46 29.748 29.748 29.874 -0.126 25065 129 1 1 . 1 1 46 46 ARG H H 46 7.239 7.239 7.283 -0.044 25065 130 1 1 . 1 1 47 47 LEU HA H 47 3.914 3.914 4.028 -0.114 25065 131 1 1 . 1 1 47 47 LEU CB C 47 41.255 41.255 41.651 -0.396 25065 132 1 1 . 1 1 47 47 LEU H H 47 8.227 8.227 7.944 0.283 25065 133 1 1 . 1 1 48 48 ILE HA H 48 3.552 3.552 3.533 0.019 25065 134 1 1 . 1 1 48 48 ILE CA C 48 65.226 65.226 65.073 0.153 25065 135 1 1 . 1 1 48 48 ILE CB C 48 37.672 37.672 37.156 0.516 25065 136 1 1 . 1 1 48 48 ILE H H 48 8.534 8.534 7.126 1.408 25065 137 1 1 . 1 1 49 49 ALA HA H 49 4.199 4.199 3.954 0.245 25065 138 1 1 . 1 1 49 49 ALA CB C 49 17.884 17.884 18.170 -0.286 25065 139 1 1 . 1 1 49 49 ALA H H 49 7.620 7.620 7.438 0.182 25065 140 1 1 . 1 1 50 50 ARG HA H 50 4.240 4.240 4.097 0.143 25065 141 1 1 . 1 1 50 50 ARG H H 50 7.973 7.973 7.612 0.361 25065 142 1 1 . 1 1 51 51 ILE HA H 51 3.368 3.368 3.675 -0.307 25065 143 1 1 . 1 1 51 51 ILE CA C 51 66.422 66.422 65.542 0.880 25065 144 1 1 . 1 1 51 51 ILE CB C 51 37.825 37.825 37.450 0.375 25065 145 1 1 . 1 1 51 51 ILE H H 51 8.862 8.862 8.581 0.281 25065 146 1 1 . 1 1 52 52 ARG HA H 52 4.061 4.061 4.263 -0.202 25065 147 1 1 . 1 1 52 52 ARG CA C 52 59.614 59.614 58.545 1.069 25065 148 1 1 . 1 1 52 52 ARG CB C 52 29.519 29.519 29.530 -0.011 25065 149 1 1 . 1 1 52 52 ARG H H 52 7.861 7.861 7.905 -0.044 25065 150 1 1 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.128 -0.159 25065 151 1 1 . 1 1 53 53 GLU CA C 53 59.311 59.311 58.727 0.584 25065 152 1 1 . 1 1 53 53 GLU CB C 53 30.277 30.277 29.312 0.965 25065 153 1 1 . 1 1 53 53 GLU H H 53 7.847 7.847 7.847 0.000 25065 154 1 1 . 1 1 54 54 GLU HA H 54 4.338 4.338 4.244 0.094 25065 155 1 1 . 1 1 54 54 GLU CB C 54 30.642 30.642 30.525 0.117 25065 156 1 1 . 1 1 54 54 GLU H H 54 8.514 8.514 8.044 0.470 25065 157 1 1 . 1 1 55 55 LEU HA H 55 4.680 4.680 4.588 0.092 25065 158 1 1 . 1 1 55 55 LEU CB C 55 43.328 43.328 43.379 -0.051 25065 159 1 1 . 1 1 55 55 LEU H H 55 8.658 8.658 8.329 0.329 25065 160 1 1 . 1 1 56 56 GLY CA C 56 46.596 46.596 45.843 0.753 25065 161 1 1 . 1 1 56 56 GLY H H 56 7.693 7.693 8.021 -0.328 25065 162 1 1 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.555 -0.138 25065 163 1 1 . 1 1 57 57 VAL CB C 57 35.473 35.473 34.080 1.393 25065 164 1 1 . 1 1 57 57 VAL H H 57 6.534 6.534 7.240 -0.706 25065 165 1 1 . 1 1 58 58 ASP HA H 58 4.675 4.675 4.699 -0.024 25065 166 1 1 . 1 1 58 58 ASP CB C 58 41.821 41.821 42.821 -1.000 25065 167 1 1 . 1 1 58 58 ASP H H 58 8.555 8.555 8.399 0.156 25065 168 1 1 . 1 1 59 59 LEU HA H 59 4.537 4.537 4.743 -0.206 25065 169 1 1 . 1 1 59 59 LEU CB C 59 44.310 44.310 45.268 -0.958 25065 170 1 1 . 1 1 59 59 LEU H H 59 8.395 8.395 8.043 0.352 25065 171 1 1 . 1 1 60 60 PRO HA H 60 4.418 4.418 4.550 -0.132 25065 172 1 1 . 1 1 60 60 PRO CB C 60 32.391 32.391 32.845 -0.454 25065 173 1 1 . 1 1 61 61 ILE HA H 61 3.635 3.635 3.460 0.175 25065 174 1 1 . 1 1 61 61 ILE CB C 61 37.572 37.572 37.922 -0.350 25065 175 1 1 . 1 1 61 61 ILE H H 61 8.748 8.748 8.400 0.348 25065 176 1 1 . 1 1 62 62 ARG HA H 62 3.995 3.995 4.066 -0.071 25065 177 1 1 . 1 1 62 62 ARG CB C 62 29.519 29.519 29.737 -0.218 25065 178 1 1 . 1 1 62 62 ARG H H 62 8.419 8.419 8.194 0.225 25065 179 1 1 . 1 1 63 63 GLN HA H 63 4.027 4.027 4.165 -0.138 25065 180 1 1 . 1 1 63 63 GLN CB C 63 28.519 28.519 28.477 0.042 25065 181 1 1 . 1 1 63 63 GLN H H 63 7.443 7.443 7.572 -0.129 25065 182 1 1 . 1 1 64 64 LEU HA H 64 3.834 3.834 3.974 -0.140 25065 183 1 1 . 1 1 64 64 LEU CB C 64 40.786 40.786 41.693 -0.907 25065 184 1 1 . 1 1 64 64 LEU H H 64 7.261 7.261 7.254 0.007 25065 185 1 1 . 1 1 65 65 PHE CB C 65 38.158 38.158 38.185 -0.027 25065 186 1 1 . 1 1 65 65 PHE H H 65 7.405 7.405 7.848 -0.443 25065 187 1 1 . 1 1 66 66 SER HA H 66 4.368 4.368 4.589 -0.221 25065 188 1 1 . 1 1 66 66 SER CB C 66 63.456 63.456 64.270 -0.814 25065 189 1 1 . 1 1 67 67 SER HA H 67 4.801 4.801 4.881 -0.080 25065 190 1 1 . 1 1 67 67 SER CB C 67 64.236 64.236 63.579 0.657 25065 191 1 1 . 1 1 67 67 SER H H 67 7.679 7.679 7.497 0.182 25065 192 1 1 . 1 1 68 68 PRO HA H 68 4.982 4.982 4.613 0.369 25065 193 1 1 . 1 1 68 68 PRO CB C 68 32.626 32.626 32.674 -0.048 25065 194 1 1 . 1 1 69 69 THR HA H 69 5.519 5.519 5.357 0.162 25065 195 1 1 . 1 1 69 69 THR CA C 69 58.316 58.316 58.615 -0.299 25065 196 1 1 . 1 1 69 69 THR H H 69 8.253 8.253 7.450 0.803 25065 197 1 1 . 1 1 70 70 PRO HA H 70 3.787 3.787 3.967 -0.180 25065 198 1 1 . 1 1 70 70 PRO CA C 70 65.995 65.995 65.730 0.265 25065 199 1 1 . 1 1 70 70 PRO CB C 70 32.865 32.865 31.244 1.621 25065 200 1 1 . 1 1 71 71 ALA HA H 71 4.122 4.122 4.365 -0.243 25065 201 1 1 . 1 1 71 71 ALA CA C 71 55.368 55.368 54.578 0.790 25065 202 1 1 . 1 1 71 71 ALA CB C 71 18.613 18.613 18.225 0.388 25065 203 1 1 . 1 1 71 71 ALA H H 71 8.775 8.775 7.647 1.128 25065 204 1 1 . 1 1 72 72 GLY H H 72 8.186 8.186 7.586 0.600 25065 205 1 1 . 1 1 73 73 VAL HA H 73 3.565 3.565 3.676 -0.111 25065 206 1 1 . 1 1 73 73 VAL CA C 73 66.671 66.671 65.924 0.747 25065 207 1 1 . 1 1 73 73 VAL CB C 73 31.440 31.440 31.288 0.152 25065 208 1 1 . 1 1 73 73 VAL H H 73 9.142 9.142 8.153 0.989 25065 209 1 1 . 1 1 74 74 ALA HA H 74 3.772 3.772 4.038 -0.266 25065 210 1 1 . 1 1 74 74 ALA CA C 74 55.788 55.788 55.448 0.340 25065 211 1 1 . 1 1 74 74 ALA CB C 74 18.080 18.080 18.305 -0.225 25065 212 1 1 . 1 1 74 74 ALA H H 74 8.659 8.659 8.423 0.236 25065 213 1 1 . 1 1 75 75 ARG HA H 75 4.043 4.043 4.054 -0.011 25065 214 1 1 . 1 1 75 75 ARG CA C 75 59.563 59.563 58.776 0.787 25065 215 1 1 . 1 1 75 75 ARG CB C 75 30.311 30.311 30.019 0.292 25065 216 1 1 . 1 1 75 75 ARG H H 75 7.694 7.694 7.558 0.136 25065 217 1 1 . 1 1 76 76 ALA HA H 76 4.153 4.153 4.108 0.045 25065 218 1 1 . 1 1 76 76 ALA CA C 76 54.796 54.796 54.623 0.173 25065 219 1 1 . 1 1 76 76 ALA CB C 76 17.493 17.493 18.250 -0.757 25065 220 1 1 . 1 1 76 76 ALA H H 76 7.877 7.877 7.645 0.232 25065 221 1 1 . 1 1 77 77 LEU HA H 77 3.974 3.974 3.938 0.036 25065 222 1 1 . 1 1 77 77 LEU H H 77 8.484 8.484 8.263 0.221 25065 223 1 1 . 1 1 78 78 ALA HA H 78 4.192 4.192 4.032 0.160 25065 224 1 1 . 1 1 78 78 ALA CB C 78 18.191 18.191 17.858 0.333 25065 225 1 1 . 1 1 79 79 ALA HA H 79 4.193 4.193 4.063 0.130 25065 226 1 1 . 1 1 79 79 ALA CA C 79 53.313 53.313 54.656 -1.343 25065 227 1 1 . 1 1 79 79 ALA CB C 79 18.379 18.379 18.232 0.147 25065 228 1 1 . 1 1 79 79 ALA H H 79 7.624 7.624 7.651 -0.027 25065 229 1 1 . 1 1 80 80 LYS HA H 80 4.241 4.241 4.175 0.066 25065 230 1 1 . 1 1 80 80 LYS CA C 80 56.363 56.363 57.623 -1.260 25065 231 1 1 . 1 1 80 80 LYS CB C 80 32.340 32.340 32.072 0.268 25065 232 1 1 . 1 1 80 80 LYS H H 80 7.759 7.759 7.685 0.074 25065 233 1 1 . 1 1 81 81 SER H H 81 7.888 7.888 7.758 0.130 25065 234 1 1 . 1 1 83 83 SER HA H 83 4.323 4.323 4.381 -0.058 25065 235 1 1 . 1 1 83 83 SER CA C 83 58.644 58.644 58.801 -0.157 25065 236 1 1 . 1 1 83 83 SER CB C 83 63.434 63.434 62.521 0.913 25065 237 1 1 . 1 1 84 84 TRP HA H 84 4.645 4.645 4.808 -0.163 25065 238 1 1 . 1 1 84 84 TRP CB C 84 29.473 29.473 31.854 -2.381 25065 239 1 1 . 1 1 85 85 SER HA H 85 4.314 4.314 4.113 0.201 25065 240 1 1 . 1 1 85 85 SER CB C 85 63.726 63.726 63.551 0.175 25065 241 1 1 . 1 1 87 87 PRO HA H 87 4.323 4.323 4.382 -0.059 25065 242 1 1 . 1 1 87 87 PRO CB C 87 31.915 31.915 32.448 -0.533 25065 243 1 1 . 1 1 88 88 GLN HA H 88 4.242 4.242 4.303 -0.061 25065 244 1 1 . 1 1 88 88 GLN CA C 88 55.771 55.771 55.802 -0.031 25065 245 1 1 . 1 1 88 88 GLN CB C 88 29.293 29.293 29.622 -0.329 25065 246 1 1 . 1 1 89 89 PHE HA H 89 4.650 4.650 5.094 -0.444 25065 247 1 1 . 1 1 89 89 PHE CB C 89 39.577 39.577 40.390 -0.813 25065 248 1 1 . 1 1 90 90 GLU HA H 90 4.241 4.241 4.515 -0.274 25065 249 1 1 . 1 1 90 90 GLU CA C 90 56.363 56.363 55.510 0.854 25065 250 1 1 . 1 1 90 90 GLU CB C 90 30.354 30.354 31.835 -1.481 25065 251 1 2 . 1 1 3 3 MET HA H 3 4.414 4.414 4.770 -0.356 25065 252 1 2 . 1 1 3 3 MET H H 3 8.447 8.447 7.702 0.745 25065 253 1 2 . 1 1 5 5 LYS HA H 5 4.253 4.253 4.402 -0.149 25065 254 1 2 . 1 1 5 5 LYS CA C 5 55.810 55.810 55.755 0.055 25065 255 1 2 . 1 1 6 6 ALA HA H 6 4.551 4.551 4.502 0.049 25065 256 1 2 . 1 1 6 6 ALA CB C 6 17.947 17.947 18.352 -0.404 25065 257 1 2 . 1 1 6 6 ALA H H 6 8.400 8.400 8.221 0.179 25065 258 1 2 . 1 1 7 7 PRO HA H 7 4.318 4.318 4.544 -0.226 25065 259 1 2 . 1 1 7 7 PRO CB C 7 31.974 31.974 32.677 -0.703 25065 260 1 2 . 1 1 8 8 GLU HA H 8 4.366 4.366 4.417 -0.051 25065 261 1 2 . 1 1 8 8 GLU CB C 8 30.764 30.764 30.352 0.411 25065 262 1 2 . 1 1 8 8 GLU H H 8 8.738 8.738 9.016 -0.278 25065 263 1 2 . 1 1 9 9 SER HA H 9 4.521 4.521 4.506 0.015 25065 264 1 2 . 1 1 9 9 SER CB C 9 65.043 65.043 64.073 0.969 25065 265 1 2 . 1 1 9 9 SER H H 9 8.724 8.724 8.614 0.110 25065 266 1 2 . 1 1 10 10 ALA HA H 10 4.082 4.082 4.052 0.030 25065 267 1 2 . 1 1 10 10 ALA CB C 10 18.166 18.166 18.217 -0.051 25065 268 1 2 . 1 1 10 10 ALA H H 10 8.547 8.547 8.864 -0.317 25065 269 1 2 . 1 1 11 11 THR HA H 11 3.809 3.809 3.983 -0.174 25065 270 1 2 . 1 1 11 11 THR CA C 11 66.711 66.711 65.562 1.149 25065 271 1 2 . 1 1 11 11 THR CB C 11 68.400 68.400 68.346 0.054 25065 272 1 2 . 1 1 11 11 THR H H 11 8.186 8.186 8.141 0.045 25065 273 1 2 . 1 1 12 12 GLU HA H 12 3.576 3.576 3.940 -0.364 25065 274 1 2 . 1 1 12 12 GLU CA C 12 60.604 60.604 59.242 1.362 25065 275 1 2 . 1 1 12 12 GLU CB C 12 29.805 29.805 29.331 0.474 25065 276 1 2 . 1 1 12 12 GLU H H 12 8.073 8.073 7.931 0.142 25065 277 1 2 . 1 1 13 13 LYS HA H 13 3.888 3.888 4.097 -0.209 25065 278 1 2 . 1 1 13 13 LYS CA C 13 60.352 60.352 59.258 1.094 25065 279 1 2 . 1 1 13 13 LYS CB C 13 32.257 32.257 32.275 -0.018 25065 280 1 2 . 1 1 13 13 LYS H H 13 8.180 8.180 7.768 0.412 25065 281 1 2 . 1 1 14 14 VAL HA H 14 3.777 3.777 3.883 -0.106 25065 282 1 2 . 1 1 14 14 VAL CA C 14 66.089 66.089 65.224 0.865 25065 283 1 2 . 1 1 14 14 VAL CB C 14 31.861 31.861 31.789 0.072 25065 284 1 2 . 1 1 14 14 VAL H H 14 7.760 7.760 7.367 0.393 25065 285 1 2 . 1 1 15 15 LEU HA H 15 3.972 3.972 4.006 -0.034 25065 286 1 2 . 1 1 15 15 LEU CB C 15 42.097 42.097 41.463 0.634 25065 287 1 2 . 1 1 15 15 LEU H H 15 8.326 8.326 7.933 0.393 25065 288 1 2 . 1 1 16 16 CYS HA H 16 3.638 3.638 3.885 -0.247 25065 289 1 2 . 1 1 16 16 CYS CA C 16 65.055 65.055 62.398 2.657 25065 290 1 2 . 1 1 16 16 CYS CB C 16 26.610 26.610 26.021 0.589 25065 291 1 2 . 1 1 16 16 CYS H H 16 8.531 8.531 8.411 0.120 25065 292 1 2 . 1 1 17 17 ALA HA H 17 4.203 4.203 4.081 0.122 25065 293 1 2 . 1 1 17 17 ALA CA C 17 55.289 55.289 55.220 0.069 25065 294 1 2 . 1 1 17 17 ALA CB C 17 17.539 17.539 18.262 -0.723 25065 295 1 2 . 1 1 17 17 ALA H H 17 7.629 7.629 7.620 0.009 25065 296 1 2 . 1 1 18 18 LEU HA H 18 4.226 4.226 4.141 0.085 25065 297 1 2 . 1 1 18 18 LEU CA C 18 57.699 57.699 57.360 0.339 25065 298 1 2 . 1 1 18 18 LEU CB C 18 42.382 42.382 40.642 1.740 25065 299 1 2 . 1 1 18 18 LEU H H 18 8.673 8.673 7.909 0.764 25065 300 1 2 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.281 -0.305 25065 301 1 2 . 1 1 19 19 TYR CB C 19 39.575 39.575 37.496 2.079 25065 302 1 2 . 1 1 19 19 TYR H H 19 9.180 9.180 8.478 0.702 25065 303 1 2 . 1 1 20 20 ALA HA H 20 3.885 3.885 3.972 -0.087 25065 304 1 2 . 1 1 20 20 ALA CA C 20 55.942 55.942 55.347 0.595 25065 305 1 2 . 1 1 20 20 ALA CB C 20 17.847 17.847 18.118 -0.271 25065 306 1 2 . 1 1 20 20 ALA H H 20 7.772 7.772 8.082 -0.310 25065 307 1 2 . 1 1 21 21 GLU HA H 21 3.995 3.995 4.096 -0.101 25065 308 1 2 . 1 1 21 21 GLU CA C 21 58.905 58.905 59.105 -0.200 25065 309 1 2 . 1 1 21 21 GLU CB C 21 30.342 30.342 29.674 0.668 25065 310 1 2 . 1 1 22 22 ILE HA H 22 3.917 3.917 3.891 0.026 25065 311 1 2 . 1 1 22 22 ILE CA C 22 61.642 61.642 64.271 -2.629 25065 312 1 2 . 1 1 22 22 ILE CB C 22 37.107 37.107 38.422 -1.315 25065 313 1 2 . 1 1 22 22 ILE H H 22 8.299 8.299 7.535 0.764 25065 314 1 2 . 1 1 23 23 LEU HA H 23 4.134 4.134 4.274 -0.140 25065 315 1 2 . 1 1 23 23 LEU CA C 23 55.302 55.302 54.599 0.703 25065 316 1 2 . 1 1 23 23 LEU CB C 23 42.218 42.218 42.774 -0.556 25065 317 1 2 . 1 1 23 23 LEU H H 23 8.477 8.477 7.627 0.850 25065 318 1 2 . 1 1 24 24 GLY CA C 24 46.801 46.801 45.656 1.145 25065 319 1 2 . 1 1 24 24 GLY H H 24 7.853 7.853 7.686 0.167 25065 320 1 2 . 1 1 25 25 VAL HA H 25 4.590 4.590 4.439 0.151 25065 321 1 2 . 1 1 25 25 VAL CB C 25 34.203 34.203 33.365 0.838 25065 322 1 2 . 1 1 25 25 VAL H H 25 7.349 7.349 7.422 -0.073 25065 323 1 2 . 1 1 26 26 GLU HA H 26 4.029 4.029 4.170 -0.141 25065 324 1 2 . 1 1 26 26 GLU CA C 26 58.870 58.870 58.280 0.590 25065 325 1 2 . 1 1 26 26 GLU CB C 26 30.613 30.613 30.126 0.487 25065 326 1 2 . 1 1 26 26 GLU H H 26 8.416 8.416 8.603 -0.187 25065 327 1 2 . 1 1 27 27 ARG HA H 27 4.464 4.464 4.487 -0.023 25065 328 1 2 . 1 1 27 27 ARG CB C 27 32.007 32.007 32.233 -0.225 25065 329 1 2 . 1 1 27 27 ARG H H 27 7.729 7.729 7.638 0.091 25065 330 1 2 . 1 1 28 28 VAL HA H 28 4.077 4.077 4.569 -0.492 25065 331 1 2 . 1 1 28 28 VAL CA C 28 61.719 61.719 60.813 0.906 25065 332 1 2 . 1 1 28 28 VAL CB C 28 34.774 34.774 35.901 -1.127 25065 333 1 2 . 1 1 28 28 VAL H H 28 8.344 8.344 8.442 -0.098 25065 334 1 2 . 1 1 29 29 GLY H H 29 9.223 9.223 8.939 0.284 25065 335 1 2 . 1 1 30 30 VAL HA H 30 3.581 3.581 3.888 -0.307 25065 336 1 2 . 1 1 30 30 VAL CA C 30 64.307 64.307 63.589 0.718 25065 337 1 2 . 1 1 30 30 VAL CB C 30 31.617 31.617 31.224 0.393 25065 338 1 2 . 1 1 30 30 VAL H H 30 8.155 8.155 8.661 -0.506 25065 339 1 2 . 1 1 31 31 ASP HA H 31 5.041 5.041 4.732 0.309 25065 340 1 2 . 1 1 31 31 ASP CB C 31 41.177 41.177 41.118 0.058 25065 341 1 2 . 1 1 31 31 ASP H H 31 8.149 8.149 8.280 -0.131 25065 342 1 2 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.694 -0.072 25065 343 1 2 . 1 1 32 32 ASP CB C 32 41.799 41.799 41.162 0.637 25065 344 1 2 . 1 1 32 32 ASP H H 32 7.289 7.289 7.592 -0.303 25065 345 1 2 . 1 1 33 33 ALA HA H 33 4.093 4.093 4.577 -0.484 25065 346 1 2 . 1 1 33 33 ALA CA C 33 51.549 51.549 51.692 -0.143 25065 347 1 2 . 1 1 33 33 ALA CB C 33 19.554 19.554 19.928 -0.374 25065 348 1 2 . 1 1 33 33 ALA H H 33 8.885 8.885 8.731 0.154 25065 349 1 2 . 1 1 34 34 PHE HA H 34 3.956 3.956 3.946 0.010 25065 350 1 2 . 1 1 34 34 PHE CA C 34 62.655 62.655 62.064 0.591 25065 351 1 2 . 1 1 34 34 PHE CB C 34 40.196 40.196 39.414 0.781 25065 352 1 2 . 1 1 34 34 PHE H H 34 8.409 8.409 8.510 -0.101 25065 353 1 2 . 1 1 36 36 ASP HA H 36 4.494 4.494 4.563 -0.069 25065 354 1 2 . 1 1 36 36 ASP CB C 36 40.185 40.185 40.828 -0.643 25065 355 1 2 . 1 1 37 37 LEU HA H 37 4.347 4.347 4.373 -0.026 25065 356 1 2 . 1 1 37 37 LEU CB C 37 43.535 43.535 41.972 1.563 25065 357 1 2 . 1 1 37 37 LEU H H 37 7.059 7.059 7.666 -0.607 25065 358 1 2 . 1 1 38 38 GLY CA C 38 44.575 44.575 44.866 -0.291 25065 359 1 2 . 1 1 38 38 GLY H H 38 7.451 7.451 7.548 -0.097 25065 360 1 2 . 1 1 39 39 GLY CA C 39 46.469 46.469 44.135 2.334 25065 361 1 2 . 1 1 39 39 GLY H H 39 7.624 7.624 7.706 -0.082 25065 362 1 2 . 1 1 40 40 SER HA H 40 4.936 4.936 4.958 -0.022 25065 363 1 2 . 1 1 40 40 SER CB C 40 66.690 66.690 66.723 -0.033 25065 364 1 2 . 1 1 40 40 SER H H 40 6.796 6.796 8.201 -1.405 25065 365 1 2 . 1 1 42 42 ALA HA H 42 4.194 4.194 4.226 -0.032 25065 366 1 2 . 1 1 42 42 ALA CB C 42 18.306 18.306 18.226 0.080 25065 367 1 2 . 1 1 43 43 LEU HA H 43 4.163 4.163 4.164 -0.001 25065 368 1 2 . 1 1 43 43 LEU CB C 43 41.833 41.833 41.770 0.063 25065 369 1 2 . 1 1 44 44 ALA HA H 44 3.612 3.612 3.392 0.220 25065 370 1 2 . 1 1 44 44 ALA CA C 44 54.838 54.838 55.033 -0.195 25065 371 1 2 . 1 1 44 44 ALA CB C 44 18.153 18.153 18.060 0.093 25065 372 1 2 . 1 1 44 44 ALA H H 44 8.864 8.864 8.512 0.352 25065 373 1 2 . 1 1 45 45 MET HA H 45 4.200 4.200 4.013 0.187 25065 374 1 2 . 1 1 45 45 MET CA C 45 58.019 58.019 57.453 0.566 25065 375 1 2 . 1 1 45 45 MET CB C 45 31.141 31.141 31.558 -0.417 25065 376 1 2 . 1 1 45 45 MET H H 45 7.669 7.669 8.306 -0.637 25065 377 1 2 . 1 1 46 46 ARG HA H 46 4.187 4.187 4.057 0.130 25065 378 1 2 . 1 1 46 46 ARG CB C 46 29.748 29.748 29.989 -0.241 25065 379 1 2 . 1 1 46 46 ARG H H 46 7.239 7.239 7.606 -0.367 25065 380 1 2 . 1 1 47 47 LEU HA H 47 3.914 3.914 4.051 -0.137 25065 381 1 2 . 1 1 47 47 LEU CB C 47 41.255 41.255 41.332 -0.077 25065 382 1 2 . 1 1 47 47 LEU H H 47 8.227 8.227 8.113 0.114 25065 383 1 2 . 1 1 48 48 ILE HA H 48 3.552 3.552 3.493 0.059 25065 384 1 2 . 1 1 48 48 ILE CA C 48 65.226 65.226 65.250 -0.024 25065 385 1 2 . 1 1 48 48 ILE CB C 48 37.672 37.672 37.265 0.407 25065 386 1 2 . 1 1 48 48 ILE H H 48 8.534 8.534 7.894 0.640 25065 387 1 2 . 1 1 49 49 ALA HA H 49 4.199 4.199 3.909 0.290 25065 388 1 2 . 1 1 49 49 ALA CB C 49 17.884 17.884 18.305 -0.421 25065 389 1 2 . 1 1 49 49 ALA H H 49 7.620 7.620 8.023 -0.403 25065 390 1 2 . 1 1 50 50 ARG HA H 50 4.240 4.240 4.099 0.141 25065 391 1 2 . 1 1 50 50 ARG H H 50 7.973 7.973 8.155 -0.182 25065 392 1 2 . 1 1 51 51 ILE HA H 51 3.368 3.368 3.694 -0.326 25065 393 1 2 . 1 1 51 51 ILE CA C 51 66.422 66.422 65.402 1.020 25065 394 1 2 . 1 1 51 51 ILE CB C 51 37.825 37.825 37.563 0.262 25065 395 1 2 . 1 1 51 51 ILE H H 51 8.862 8.862 8.339 0.523 25065 396 1 2 . 1 1 52 52 ARG HA H 52 4.061 4.061 4.194 -0.133 25065 397 1 2 . 1 1 52 52 ARG CA C 52 59.614 59.614 59.103 0.511 25065 398 1 2 . 1 1 52 52 ARG CB C 52 29.519 29.519 29.704 -0.185 25065 399 1 2 . 1 1 52 52 ARG H H 52 7.861 7.861 8.027 -0.166 25065 400 1 2 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.190 -0.221 25065 401 1 2 . 1 1 53 53 GLU CA C 53 59.311 59.311 58.560 0.751 25065 402 1 2 . 1 1 53 53 GLU CB C 53 30.277 30.277 29.297 0.980 25065 403 1 2 . 1 1 53 53 GLU H H 53 7.847 7.847 7.500 0.347 25065 404 1 2 . 1 1 54 54 GLU HA H 54 4.338 4.338 4.276 0.062 25065 405 1 2 . 1 1 54 54 GLU CB C 54 30.642 30.642 30.389 0.253 25065 406 1 2 . 1 1 54 54 GLU H H 54 8.514 8.514 8.079 0.435 25065 407 1 2 . 1 1 55 55 LEU HA H 55 4.680 4.680 4.495 0.185 25065 408 1 2 . 1 1 55 55 LEU CB C 55 43.328 43.328 42.888 0.440 25065 409 1 2 . 1 1 55 55 LEU H H 55 8.658 8.658 8.308 0.350 25065 410 1 2 . 1 1 56 56 GLY CA C 56 46.596 46.596 45.657 0.939 25065 411 1 2 . 1 1 56 56 GLY H H 56 7.693 7.693 7.959 -0.266 25065 412 1 2 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.516 -0.099 25065 413 1 2 . 1 1 57 57 VAL CB C 57 35.473 35.473 34.575 0.898 25065 414 1 2 . 1 1 57 57 VAL H H 57 6.534 6.534 7.173 -0.639 25065 415 1 2 . 1 1 58 58 ASP HA H 58 4.675 4.675 4.868 -0.193 25065 416 1 2 . 1 1 58 58 ASP CB C 58 41.821 41.821 42.970 -1.149 25065 417 1 2 . 1 1 58 58 ASP H H 58 8.555 8.555 8.423 0.132 25065 418 1 2 . 1 1 59 59 LEU HA H 59 4.537 4.537 4.718 -0.181 25065 419 1 2 . 1 1 59 59 LEU CB C 59 44.310 44.310 44.609 -0.299 25065 420 1 2 . 1 1 59 59 LEU H H 59 8.395 8.395 8.209 0.186 25065 421 1 2 . 1 1 60 60 PRO HA H 60 4.418 4.418 4.521 -0.103 25065 422 1 2 . 1 1 60 60 PRO CB C 60 32.391 32.391 32.788 -0.397 25065 423 1 2 . 1 1 61 61 ILE HA H 61 3.635 3.635 3.421 0.214 25065 424 1 2 . 1 1 61 61 ILE CB C 61 37.572 37.572 37.987 -0.416 25065 425 1 2 . 1 1 61 61 ILE H H 61 8.748 8.748 8.584 0.164 25065 426 1 2 . 1 1 62 62 ARG HA H 62 3.995 3.995 4.100 -0.105 25065 427 1 2 . 1 1 62 62 ARG CB C 62 29.519 29.519 29.703 -0.184 25065 428 1 2 . 1 1 62 62 ARG H H 62 8.419 8.419 8.341 0.078 25065 429 1 2 . 1 1 63 63 GLN HA H 63 4.027 4.027 4.195 -0.168 25065 430 1 2 . 1 1 63 63 GLN CB C 63 28.519 28.519 28.412 0.107 25065 431 1 2 . 1 1 63 63 GLN H H 63 7.443 7.443 7.799 -0.356 25065 432 1 2 . 1 1 64 64 LEU HA H 64 3.834 3.834 4.133 -0.298 25065 433 1 2 . 1 1 64 64 LEU CB C 64 40.786 40.786 41.833 -1.047 25065 434 1 2 . 1 1 64 64 LEU H H 64 7.261 7.261 7.265 -0.004 25065 435 1 2 . 1 1 65 65 PHE CB C 65 38.158 38.158 38.800 -0.642 25065 436 1 2 . 1 1 65 65 PHE H H 65 7.405 7.405 7.921 -0.516 25065 437 1 2 . 1 1 66 66 SER HA H 66 4.368 4.368 4.414 -0.046 25065 438 1 2 . 1 1 66 66 SER CB C 66 63.456 63.456 63.735 -0.279 25065 439 1 2 . 1 1 67 67 SER HA H 67 4.801 4.801 4.965 -0.164 25065 440 1 2 . 1 1 67 67 SER CB C 67 64.236 64.236 63.895 0.341 25065 441 1 2 . 1 1 67 67 SER H H 67 7.679 7.679 7.794 -0.115 25065 442 1 2 . 1 1 68 68 PRO HA H 68 4.982 4.982 4.880 0.102 25065 443 1 2 . 1 1 68 68 PRO CB C 68 32.626 32.626 32.468 0.158 25065 444 1 2 . 1 1 69 69 THR HA H 69 5.519 5.519 5.337 0.182 25065 445 1 2 . 1 1 69 69 THR CA C 69 58.316 58.316 58.502 -0.186 25065 446 1 2 . 1 1 69 69 THR H H 69 8.253 8.253 7.466 0.787 25065 447 1 2 . 1 1 70 70 PRO HA H 70 3.787 3.787 3.865 -0.078 25065 448 1 2 . 1 1 70 70 PRO CA C 70 65.995 65.995 65.564 0.431 25065 449 1 2 . 1 1 70 70 PRO CB C 70 32.865 32.865 31.246 1.619 25065 450 1 2 . 1 1 71 71 ALA HA H 71 4.122 4.122 3.985 0.137 25065 451 1 2 . 1 1 71 71 ALA CA C 71 55.368 55.368 55.157 0.211 25065 452 1 2 . 1 1 71 71 ALA CB C 71 18.613 18.613 18.250 0.363 25065 453 1 2 . 1 1 71 71 ALA H H 71 8.775 8.775 8.156 0.619 25065 454 1 2 . 1 1 72 72 GLY H H 72 8.186 8.186 7.695 0.491 25065 455 1 2 . 1 1 73 73 VAL HA H 73 3.565 3.565 3.694 -0.129 25065 456 1 2 . 1 1 73 73 VAL CA C 73 66.671 66.671 65.664 1.007 25065 457 1 2 . 1 1 73 73 VAL CB C 73 31.440 31.440 31.005 0.435 25065 458 1 2 . 1 1 73 73 VAL H H 73 9.142 9.142 7.789 1.353 25065 459 1 2 . 1 1 74 74 ALA HA H 74 3.772 3.772 4.002 -0.230 25065 460 1 2 . 1 1 74 74 ALA CA C 74 55.788 55.788 55.567 0.221 25065 461 1 2 . 1 1 74 74 ALA CB C 74 18.080 18.080 18.361 -0.281 25065 462 1 2 . 1 1 74 74 ALA H H 74 8.659 8.659 8.446 0.213 25065 463 1 2 . 1 1 75 75 ARG HA H 75 4.043 4.043 4.054 -0.011 25065 464 1 2 . 1 1 75 75 ARG CA C 75 59.563 59.563 58.980 0.583 25065 465 1 2 . 1 1 75 75 ARG CB C 75 30.311 30.311 29.927 0.384 25065 466 1 2 . 1 1 75 75 ARG H H 75 7.694 7.694 7.745 -0.051 25065 467 1 2 . 1 1 76 76 ALA HA H 76 4.153 4.153 4.179 -0.026 25065 468 1 2 . 1 1 76 76 ALA CA C 76 54.796 54.796 54.587 0.209 25065 469 1 2 . 1 1 76 76 ALA CB C 76 17.493 17.493 18.460 -0.967 25065 470 1 2 . 1 1 76 76 ALA H H 76 7.877 7.877 7.697 0.180 25065 471 1 2 . 1 1 77 77 LEU HA H 77 3.974 3.974 4.039 -0.065 25065 472 1 2 . 1 1 77 77 LEU H H 77 8.484 8.484 8.052 0.432 25065 473 1 2 . 1 1 78 78 ALA HA H 78 4.192 4.192 3.905 0.287 25065 474 1 2 . 1 1 78 78 ALA CB C 78 18.191 18.191 18.173 0.018 25065 475 1 2 . 1 1 79 79 ALA HA H 79 4.193 4.193 4.382 -0.189 25065 476 1 2 . 1 1 79 79 ALA CA C 79 53.313 53.313 55.046 -1.733 25065 477 1 2 . 1 1 79 79 ALA CB C 79 18.379 18.379 18.439 -0.060 25065 478 1 2 . 1 1 79 79 ALA H H 79 7.624 7.624 7.818 -0.194 25065 479 1 2 . 1 1 80 80 LYS HA H 80 4.241 4.241 4.243 -0.002 25065 480 1 2 . 1 1 80 80 LYS CA C 80 56.363 56.363 58.355 -1.992 25065 481 1 2 . 1 1 80 80 LYS CB C 80 32.340 32.340 32.441 -0.101 25065 482 1 2 . 1 1 80 80 LYS H H 80 7.759 7.759 7.689 0.070 25065 483 1 2 . 1 1 81 81 SER H H 81 7.888 7.888 7.614 0.274 25065 484 1 2 . 1 1 83 83 SER HA H 83 4.323 4.323 4.378 -0.055 25065 485 1 2 . 1 1 83 83 SER CA C 83 58.644 58.644 58.337 0.307 25065 486 1 2 . 1 1 83 83 SER CB C 83 63.434 63.434 63.524 -0.090 25065 487 1 2 . 1 1 84 84 TRP HA H 84 4.645 4.645 4.810 -0.165 25065 488 1 2 . 1 1 84 84 TRP CB C 84 29.473 29.473 30.347 -0.874 25065 489 1 2 . 1 1 85 85 SER HA H 85 4.314 4.314 4.306 0.008 25065 490 1 2 . 1 1 85 85 SER CB C 85 63.726 63.726 63.778 -0.052 25065 491 1 2 . 1 1 87 87 PRO HA H 87 4.323 4.323 4.439 -0.116 25065 492 1 2 . 1 1 87 87 PRO CB C 87 31.915 31.915 32.684 -0.769 25065 493 1 2 . 1 1 88 88 GLN HA H 88 4.242 4.242 4.255 -0.013 25065 494 1 2 . 1 1 88 88 GLN CA C 88 55.771 55.771 55.158 0.613 25065 495 1 2 . 1 1 88 88 GLN CB C 88 29.293 29.293 29.469 -0.176 25065 496 1 2 . 1 1 89 89 PHE HA H 89 4.650 4.650 4.619 0.031 25065 497 1 2 . 1 1 89 89 PHE CB C 89 39.577 39.577 39.842 -0.265 25065 498 1 2 . 1 1 90 90 GLU HA H 90 4.241 4.241 4.395 -0.154 25065 499 1 2 . 1 1 90 90 GLU CA C 90 56.363 56.363 56.785 -0.422 25065 500 1 2 . 1 1 90 90 GLU CB C 90 30.354 30.354 30.236 0.118 25065 501 1 3 . 1 1 3 3 MET HA H 3 4.414 4.414 4.717 -0.303 25065 502 1 3 . 1 1 3 3 MET H H 3 8.447 8.447 8.188 0.259 25065 503 1 3 . 1 1 5 5 LYS HA H 5 4.253 4.253 4.511 -0.258 25065 504 1 3 . 1 1 5 5 LYS CA C 5 55.810 55.810 55.770 0.040 25065 505 1 3 . 1 1 6 6 ALA HA H 6 4.551 4.551 4.727 -0.176 25065 506 1 3 . 1 1 6 6 ALA CB C 6 17.947 17.947 20.180 -2.233 25065 507 1 3 . 1 1 6 6 ALA H H 6 8.400 8.400 8.146 0.254 25065 508 1 3 . 1 1 7 7 PRO HA H 7 4.318 4.318 4.588 -0.270 25065 509 1 3 . 1 1 7 7 PRO CB C 7 31.974 31.974 32.744 -0.770 25065 510 1 3 . 1 1 8 8 GLU HA H 8 4.366 4.366 4.492 -0.126 25065 511 1 3 . 1 1 8 8 GLU CB C 8 30.764 30.764 30.580 0.184 25065 512 1 3 . 1 1 8 8 GLU H H 8 8.738 8.738 8.981 -0.243 25065 513 1 3 . 1 1 9 9 SER HA H 9 4.521 4.521 4.548 -0.027 25065 514 1 3 . 1 1 9 9 SER CB C 9 65.043 65.043 64.650 0.394 25065 515 1 3 . 1 1 9 9 SER H H 9 8.724 8.724 8.228 0.496 25065 516 1 3 . 1 1 10 10 ALA HA H 10 4.082 4.082 4.066 0.016 25065 517 1 3 . 1 1 10 10 ALA CB C 10 18.166 18.166 18.041 0.125 25065 518 1 3 . 1 1 10 10 ALA H H 10 8.547 8.547 8.839 -0.292 25065 519 1 3 . 1 1 11 11 THR HA H 11 3.809 3.809 3.977 -0.168 25065 520 1 3 . 1 1 11 11 THR CA C 11 66.711 66.711 65.636 1.075 25065 521 1 3 . 1 1 11 11 THR CB C 11 68.400 68.400 68.353 0.047 25065 522 1 3 . 1 1 11 11 THR H H 11 8.186 8.186 8.191 -0.005 25065 523 1 3 . 1 1 12 12 GLU HA H 12 3.576 3.576 3.938 -0.362 25065 524 1 3 . 1 1 12 12 GLU CA C 12 60.604 60.604 59.051 1.553 25065 525 1 3 . 1 1 12 12 GLU CB C 12 29.805 29.805 29.263 0.542 25065 526 1 3 . 1 1 12 12 GLU H H 12 8.073 8.073 7.766 0.307 25065 527 1 3 . 1 1 13 13 LYS HA H 13 3.888 3.888 4.031 -0.143 25065 528 1 3 . 1 1 13 13 LYS CA C 13 60.352 60.352 59.534 0.818 25065 529 1 3 . 1 1 13 13 LYS CB C 13 32.257 32.257 32.120 0.137 25065 530 1 3 . 1 1 13 13 LYS H H 13 8.180 8.180 7.762 0.418 25065 531 1 3 . 1 1 14 14 VAL HA H 14 3.777 3.777 3.864 -0.087 25065 532 1 3 . 1 1 14 14 VAL CA C 14 66.089 66.089 65.258 0.830 25065 533 1 3 . 1 1 14 14 VAL CB C 14 31.861 31.861 31.157 0.704 25065 534 1 3 . 1 1 14 14 VAL H H 14 7.760 7.760 7.564 0.196 25065 535 1 3 . 1 1 15 15 LEU HA H 15 3.972 3.972 4.010 -0.038 25065 536 1 3 . 1 1 15 15 LEU CB C 15 42.097 42.097 41.126 0.972 25065 537 1 3 . 1 1 15 15 LEU H H 15 8.326 8.326 7.552 0.774 25065 538 1 3 . 1 1 16 16 CYS HA H 16 3.638 3.638 3.776 -0.138 25065 539 1 3 . 1 1 16 16 CYS CA C 16 65.055 65.055 62.385 2.670 25065 540 1 3 . 1 1 16 16 CYS CB C 16 26.610 26.610 25.978 0.632 25065 541 1 3 . 1 1 16 16 CYS H H 16 8.531 8.531 8.439 0.092 25065 542 1 3 . 1 1 17 17 ALA HA H 17 4.203 4.203 4.185 0.018 25065 543 1 3 . 1 1 17 17 ALA CA C 17 55.289 55.289 55.202 0.087 25065 544 1 3 . 1 1 17 17 ALA CB C 17 17.539 17.539 18.289 -0.750 25065 545 1 3 . 1 1 17 17 ALA H H 17 7.629 7.629 7.531 0.098 25065 546 1 3 . 1 1 18 18 LEU HA H 18 4.226 4.226 4.133 0.093 25065 547 1 3 . 1 1 18 18 LEU CA C 18 57.699 57.699 57.426 0.273 25065 548 1 3 . 1 1 18 18 LEU CB C 18 42.382 42.382 40.614 1.768 25065 549 1 3 . 1 1 18 18 LEU H H 18 8.673 8.673 8.158 0.515 25065 550 1 3 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.267 -0.291 25065 551 1 3 . 1 1 19 19 TYR CB C 19 39.575 39.575 37.200 2.375 25065 552 1 3 . 1 1 19 19 TYR H H 19 9.180 9.180 8.617 0.563 25065 553 1 3 . 1 1 20 20 ALA HA H 20 3.885 3.885 3.965 -0.080 25065 554 1 3 . 1 1 20 20 ALA CA C 20 55.942 55.942 55.163 0.779 25065 555 1 3 . 1 1 20 20 ALA CB C 20 17.847 17.847 18.067 -0.220 25065 556 1 3 . 1 1 20 20 ALA H H 20 7.772 7.772 7.945 -0.173 25065 557 1 3 . 1 1 21 21 GLU HA H 21 3.995 3.995 4.039 -0.044 25065 558 1 3 . 1 1 21 21 GLU CA C 21 58.905 58.905 59.212 -0.307 25065 559 1 3 . 1 1 21 21 GLU CB C 21 30.342 30.342 29.796 0.546 25065 560 1 3 . 1 1 22 22 ILE HA H 22 3.917 3.917 3.967 -0.050 25065 561 1 3 . 1 1 22 22 ILE CA C 22 61.642 61.642 64.149 -2.507 25065 562 1 3 . 1 1 22 22 ILE CB C 22 37.107 37.107 38.645 -1.538 25065 563 1 3 . 1 1 22 22 ILE H H 22 8.299 8.299 7.504 0.795 25065 564 1 3 . 1 1 23 23 LEU HA H 23 4.134 4.134 4.146 -0.012 25065 565 1 3 . 1 1 23 23 LEU CA C 23 55.302 55.302 55.688 -0.386 25065 566 1 3 . 1 1 23 23 LEU CB C 23 42.218 42.218 41.780 0.438 25065 567 1 3 . 1 1 23 23 LEU H H 23 8.477 8.477 8.238 0.239 25065 568 1 3 . 1 1 24 24 GLY CA C 24 46.801 46.801 45.564 1.237 25065 569 1 3 . 1 1 24 24 GLY H H 24 7.853 7.853 8.171 -0.318 25065 570 1 3 . 1 1 25 25 VAL HA H 25 4.590 4.590 4.535 0.055 25065 571 1 3 . 1 1 25 25 VAL CB C 25 34.203 34.203 32.952 1.251 25065 572 1 3 . 1 1 25 25 VAL H H 25 7.349 7.349 7.399 -0.050 25065 573 1 3 . 1 1 26 26 GLU HA H 26 4.029 4.029 4.207 -0.178 25065 574 1 3 . 1 1 26 26 GLU CA C 26 58.870 58.870 57.897 0.973 25065 575 1 3 . 1 1 26 26 GLU CB C 26 30.613 30.613 30.152 0.461 25065 576 1 3 . 1 1 26 26 GLU H H 26 8.416 8.416 8.606 -0.190 25065 577 1 3 . 1 1 27 27 ARG HA H 27 4.464 4.464 4.457 0.007 25065 578 1 3 . 1 1 27 27 ARG CB C 27 32.007 32.007 32.180 -0.173 25065 579 1 3 . 1 1 27 27 ARG H H 27 7.729 7.729 7.656 0.073 25065 580 1 3 . 1 1 28 28 VAL HA H 28 4.077 4.077 4.526 -0.449 25065 581 1 3 . 1 1 28 28 VAL CA C 28 61.719 61.719 60.959 0.760 25065 582 1 3 . 1 1 28 28 VAL CB C 28 34.774 34.774 35.729 -0.955 25065 583 1 3 . 1 1 28 28 VAL H H 28 8.344 8.344 8.377 -0.033 25065 584 1 3 . 1 1 29 29 GLY H H 29 9.223 9.223 8.710 0.513 25065 585 1 3 . 1 1 30 30 VAL HA H 30 3.581 3.581 3.782 -0.201 25065 586 1 3 . 1 1 30 30 VAL CA C 30 64.307 64.307 63.990 0.317 25065 587 1 3 . 1 1 30 30 VAL CB C 30 31.617 31.617 31.218 0.399 25065 588 1 3 . 1 1 30 30 VAL H H 30 8.155 8.155 8.500 -0.345 25065 589 1 3 . 1 1 31 31 ASP HA H 31 5.041 5.041 4.591 0.450 25065 590 1 3 . 1 1 31 31 ASP CB C 31 41.177 41.177 40.633 0.544 25065 591 1 3 . 1 1 31 31 ASP H H 31 8.149 8.149 8.110 0.039 25065 592 1 3 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.607 0.015 25065 593 1 3 . 1 1 32 32 ASP CB C 32 41.799 41.799 41.075 0.724 25065 594 1 3 . 1 1 32 32 ASP H H 32 7.289 7.289 7.649 -0.360 25065 595 1 3 . 1 1 33 33 ALA HA H 33 4.093 4.093 4.520 -0.427 25065 596 1 3 . 1 1 33 33 ALA CA C 33 51.549 51.549 51.169 0.380 25065 597 1 3 . 1 1 33 33 ALA CB C 33 19.554 19.554 19.826 -0.272 25065 598 1 3 . 1 1 33 33 ALA H H 33 8.885 8.885 8.470 0.415 25065 599 1 3 . 1 1 34 34 PHE HA H 34 3.956 3.956 3.988 -0.032 25065 600 1 3 . 1 1 34 34 PHE CA C 34 62.655 62.655 62.166 0.489 25065 601 1 3 . 1 1 34 34 PHE CB C 34 40.196 40.196 39.527 0.669 25065 602 1 3 . 1 1 34 34 PHE H H 34 8.409 8.409 8.728 -0.319 25065 603 1 3 . 1 1 36 36 ASP HA H 36 4.494 4.494 4.550 -0.056 25065 604 1 3 . 1 1 36 36 ASP CB C 36 40.185 40.185 40.853 -0.668 25065 605 1 3 . 1 1 37 37 LEU HA H 37 4.347 4.347 4.283 0.064 25065 606 1 3 . 1 1 37 37 LEU CB C 37 43.535 43.535 42.070 1.465 25065 607 1 3 . 1 1 37 37 LEU H H 37 7.059 7.059 7.571 -0.512 25065 608 1 3 . 1 1 38 38 GLY CA C 38 44.575 44.575 45.042 -0.467 25065 609 1 3 . 1 1 38 38 GLY H H 38 7.451 7.451 7.276 0.175 25065 610 1 3 . 1 1 39 39 GLY CA C 39 46.469 46.469 44.434 2.035 25065 611 1 3 . 1 1 39 39 GLY H H 39 7.624 7.624 7.852 -0.228 25065 612 1 3 . 1 1 40 40 SER HA H 40 4.936 4.936 4.810 0.126 25065 613 1 3 . 1 1 40 40 SER CB C 40 66.690 66.690 65.715 0.975 25065 614 1 3 . 1 1 40 40 SER H H 40 6.796 6.796 8.247 -1.451 25065 615 1 3 . 1 1 42 42 ALA HA H 42 4.194 4.194 4.160 0.034 25065 616 1 3 . 1 1 42 42 ALA CB C 42 18.306 18.306 18.268 0.038 25065 617 1 3 . 1 1 43 43 LEU HA H 43 4.163 4.163 4.111 0.052 25065 618 1 3 . 1 1 43 43 LEU CB C 43 41.833 41.833 41.632 0.201 25065 619 1 3 . 1 1 44 44 ALA HA H 44 3.612 3.612 3.366 0.246 25065 620 1 3 . 1 1 44 44 ALA CA C 44 54.838 54.838 54.934 -0.096 25065 621 1 3 . 1 1 44 44 ALA CB C 44 18.153 18.153 18.020 0.133 25065 622 1 3 . 1 1 44 44 ALA H H 44 8.864 8.864 8.388 0.476 25065 623 1 3 . 1 1 45 45 MET HA H 45 4.200 4.200 3.953 0.247 25065 624 1 3 . 1 1 45 45 MET CA C 45 58.019 58.019 59.581 -1.562 25065 625 1 3 . 1 1 45 45 MET CB C 45 31.141 31.141 32.600 -1.459 25065 626 1 3 . 1 1 45 45 MET H H 45 7.669 7.669 8.113 -0.444 25065 627 1 3 . 1 1 46 46 ARG HA H 46 4.187 4.187 4.012 0.175 25065 628 1 3 . 1 1 46 46 ARG CB C 46 29.748 29.748 30.034 -0.286 25065 629 1 3 . 1 1 46 46 ARG H H 46 7.239 7.239 7.694 -0.455 25065 630 1 3 . 1 1 47 47 LEU HA H 47 3.914 3.914 4.115 -0.201 25065 631 1 3 . 1 1 47 47 LEU CB C 47 41.255 41.255 41.442 -0.187 25065 632 1 3 . 1 1 47 47 LEU H H 47 8.227 8.227 8.182 0.045 25065 633 1 3 . 1 1 48 48 ILE HA H 48 3.552 3.552 3.541 0.011 25065 634 1 3 . 1 1 48 48 ILE CA C 48 65.226 65.226 65.221 0.005 25065 635 1 3 . 1 1 48 48 ILE CB C 48 37.672 37.672 37.267 0.405 25065 636 1 3 . 1 1 48 48 ILE H H 48 8.534 8.534 7.632 0.902 25065 637 1 3 . 1 1 49 49 ALA HA H 49 4.199 4.199 3.991 0.208 25065 638 1 3 . 1 1 49 49 ALA CB C 49 17.884 17.884 18.370 -0.486 25065 639 1 3 . 1 1 49 49 ALA H H 49 7.620 7.620 7.734 -0.114 25065 640 1 3 . 1 1 50 50 ARG HA H 50 4.240 4.240 4.108 0.132 25065 641 1 3 . 1 1 50 50 ARG H H 50 7.973 7.973 8.237 -0.264 25065 642 1 3 . 1 1 51 51 ILE HA H 51 3.368 3.368 3.717 -0.349 25065 643 1 3 . 1 1 51 51 ILE CA C 51 66.422 66.422 65.508 0.914 25065 644 1 3 . 1 1 51 51 ILE CB C 51 37.825 37.825 37.572 0.254 25065 645 1 3 . 1 1 51 51 ILE H H 51 8.862 8.862 8.391 0.471 25065 646 1 3 . 1 1 52 52 ARG HA H 52 4.061 4.061 4.357 -0.296 25065 647 1 3 . 1 1 52 52 ARG CA C 52 59.614 59.614 58.787 0.827 25065 648 1 3 . 1 1 52 52 ARG CB C 52 29.519 29.519 29.571 -0.052 25065 649 1 3 . 1 1 52 52 ARG H H 52 7.861 7.861 8.068 -0.207 25065 650 1 3 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.133 -0.164 25065 651 1 3 . 1 1 53 53 GLU CA C 53 59.311 59.311 59.114 0.197 25065 652 1 3 . 1 1 53 53 GLU CB C 53 30.277 30.277 29.433 0.844 25065 653 1 3 . 1 1 53 53 GLU H H 53 7.847 7.847 8.302 -0.455 25065 654 1 3 . 1 1 54 54 GLU HA H 54 4.338 4.338 4.255 0.083 25065 655 1 3 . 1 1 54 54 GLU CB C 54 30.642 30.642 30.611 0.031 25065 656 1 3 . 1 1 54 54 GLU H H 54 8.514 8.514 8.089 0.425 25065 657 1 3 . 1 1 55 55 LEU HA H 55 4.680 4.680 4.565 0.115 25065 658 1 3 . 1 1 55 55 LEU CB C 55 43.328 43.328 43.248 0.080 25065 659 1 3 . 1 1 55 55 LEU H H 55 8.658 8.658 8.297 0.361 25065 660 1 3 . 1 1 56 56 GLY CA C 56 46.596 46.596 45.778 0.818 25065 661 1 3 . 1 1 56 56 GLY H H 56 7.693 7.693 8.072 -0.379 25065 662 1 3 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.541 -0.124 25065 663 1 3 . 1 1 57 57 VAL CB C 57 35.473 35.473 34.007 1.466 25065 664 1 3 . 1 1 57 57 VAL H H 57 6.534 6.534 7.233 -0.699 25065 665 1 3 . 1 1 58 58 ASP HA H 58 4.675 4.675 4.848 -0.173 25065 666 1 3 . 1 1 58 58 ASP CB C 58 41.821 41.821 43.435 -1.614 25065 667 1 3 . 1 1 58 58 ASP H H 58 8.555 8.555 8.483 0.072 25065 668 1 3 . 1 1 59 59 LEU HA H 59 4.537 4.537 4.767 -0.230 25065 669 1 3 . 1 1 59 59 LEU CB C 59 44.310 44.310 45.155 -0.845 25065 670 1 3 . 1 1 59 59 LEU H H 59 8.395 8.395 8.298 0.097 25065 671 1 3 . 1 1 60 60 PRO HA H 60 4.418 4.418 4.630 -0.212 25065 672 1 3 . 1 1 60 60 PRO CB C 60 32.391 32.391 33.030 -0.639 25065 673 1 3 . 1 1 61 61 ILE HA H 61 3.635 3.635 3.701 -0.066 25065 674 1 3 . 1 1 61 61 ILE CB C 61 37.572 37.572 38.245 -0.673 25065 675 1 3 . 1 1 61 61 ILE H H 61 8.748 8.748 8.658 0.090 25065 676 1 3 . 1 1 62 62 ARG HA H 62 3.995 3.995 3.876 0.119 25065 677 1 3 . 1 1 62 62 ARG CB C 62 29.519 29.519 29.653 -0.134 25065 678 1 3 . 1 1 62 62 ARG H H 62 8.419 8.419 8.304 0.115 25065 679 1 3 . 1 1 63 63 GLN HA H 63 4.027 4.027 4.256 -0.229 25065 680 1 3 . 1 1 63 63 GLN CB C 63 28.519 28.519 28.752 -0.233 25065 681 1 3 . 1 1 63 63 GLN H H 63 7.443 7.443 7.814 -0.371 25065 682 1 3 . 1 1 64 64 LEU HA H 64 3.834 3.834 4.126 -0.292 25065 683 1 3 . 1 1 64 64 LEU CB C 64 40.786 40.786 42.027 -1.241 25065 684 1 3 . 1 1 64 64 LEU H H 64 7.261 7.261 7.894 -0.633 25065 685 1 3 . 1 1 65 65 PHE CB C 65 38.158 38.158 38.695 -0.537 25065 686 1 3 . 1 1 65 65 PHE H H 65 7.405 7.405 8.635 -1.230 25065 687 1 3 . 1 1 66 66 SER HA H 66 4.368 4.368 4.663 -0.295 25065 688 1 3 . 1 1 66 66 SER CB C 66 63.456 63.456 64.443 -0.987 25065 689 1 3 . 1 1 67 67 SER HA H 67 4.801 4.801 4.957 -0.156 25065 690 1 3 . 1 1 67 67 SER CB C 67 64.236 64.236 63.927 0.309 25065 691 1 3 . 1 1 67 67 SER H H 67 7.679 7.679 7.610 0.069 25065 692 1 3 . 1 1 68 68 PRO HA H 68 4.982 4.982 4.777 0.205 25065 693 1 3 . 1 1 68 68 PRO CB C 68 32.626 32.626 31.839 0.787 25065 694 1 3 . 1 1 69 69 THR HA H 69 5.519 5.519 5.305 0.214 25065 695 1 3 . 1 1 69 69 THR CA C 69 58.316 58.316 58.989 -0.673 25065 696 1 3 . 1 1 69 69 THR H H 69 8.253 8.253 7.599 0.654 25065 697 1 3 . 1 1 70 70 PRO HA H 70 3.787 3.787 3.858 -0.071 25065 698 1 3 . 1 1 70 70 PRO CA C 70 65.995 65.995 65.766 0.229 25065 699 1 3 . 1 1 70 70 PRO CB C 70 32.865 32.865 31.282 1.583 25065 700 1 3 . 1 1 71 71 ALA HA H 71 4.122 4.122 4.137 -0.015 25065 701 1 3 . 1 1 71 71 ALA CA C 71 55.368 55.368 55.032 0.336 25065 702 1 3 . 1 1 71 71 ALA CB C 71 18.613 18.613 18.252 0.361 25065 703 1 3 . 1 1 71 71 ALA H H 71 8.775 8.775 8.145 0.630 25065 704 1 3 . 1 1 72 72 GLY H H 72 8.186 8.186 7.703 0.483 25065 705 1 3 . 1 1 73 73 VAL HA H 73 3.565 3.565 3.777 -0.212 25065 706 1 3 . 1 1 73 73 VAL CA C 73 66.671 66.671 65.273 1.397 25065 707 1 3 . 1 1 73 73 VAL CB C 73 31.440 31.440 30.909 0.531 25065 708 1 3 . 1 1 73 73 VAL H H 73 9.142 9.142 8.070 1.072 25065 709 1 3 . 1 1 74 74 ALA HA H 74 3.772 3.772 3.999 -0.227 25065 710 1 3 . 1 1 74 74 ALA CA C 74 55.788 55.788 55.544 0.244 25065 711 1 3 . 1 1 74 74 ALA CB C 74 18.080 18.080 18.386 -0.306 25065 712 1 3 . 1 1 74 74 ALA H H 74 8.659 8.659 8.192 0.467 25065 713 1 3 . 1 1 75 75 ARG HA H 75 4.043 4.043 4.043 -0.000 25065 714 1 3 . 1 1 75 75 ARG CA C 75 59.563 59.563 58.937 0.626 25065 715 1 3 . 1 1 75 75 ARG CB C 75 30.311 30.311 30.031 0.280 25065 716 1 3 . 1 1 75 75 ARG H H 75 7.694 7.694 7.775 -0.081 25065 717 1 3 . 1 1 76 76 ALA HA H 76 4.153 4.153 4.092 0.061 25065 718 1 3 . 1 1 76 76 ALA CA C 76 54.796 54.796 54.917 -0.121 25065 719 1 3 . 1 1 76 76 ALA CB C 76 17.493 17.493 18.624 -1.131 25065 720 1 3 . 1 1 76 76 ALA H H 76 7.877 7.877 7.780 0.097 25065 721 1 3 . 1 1 77 77 LEU HA H 77 3.974 3.974 4.033 -0.059 25065 722 1 3 . 1 1 77 77 LEU H H 77 8.484 8.484 8.229 0.255 25065 723 1 3 . 1 1 78 78 ALA HA H 78 4.192 4.192 3.967 0.225 25065 724 1 3 . 1 1 78 78 ALA CB C 78 18.191 18.191 17.904 0.287 25065 725 1 3 . 1 1 79 79 ALA HA H 79 4.193 4.193 4.094 0.099 25065 726 1 3 . 1 1 79 79 ALA CA C 79 53.313 53.313 54.612 -1.300 25065 727 1 3 . 1 1 79 79 ALA CB C 79 18.379 18.379 18.230 0.149 25065 728 1 3 . 1 1 79 79 ALA H H 79 7.624 7.624 7.704 -0.080 25065 729 1 3 . 1 1 80 80 LYS HA H 80 4.241 4.241 4.093 0.148 25065 730 1 3 . 1 1 80 80 LYS CA C 80 56.363 56.363 58.399 -2.036 25065 731 1 3 . 1 1 80 80 LYS CB C 80 32.340 32.340 32.653 -0.313 25065 732 1 3 . 1 1 80 80 LYS H H 80 7.759 7.759 7.589 0.170 25065 733 1 3 . 1 1 81 81 SER H H 81 7.888 7.888 7.709 0.179 25065 734 1 3 . 1 1 83 83 SER HA H 83 4.323 4.323 4.750 -0.427 25065 735 1 3 . 1 1 83 83 SER CA C 83 58.644 58.644 57.121 1.523 25065 736 1 3 . 1 1 83 83 SER CB C 83 63.434 63.434 65.018 -1.584 25065 737 1 3 . 1 1 84 84 TRP HA H 84 4.645 4.645 4.709 -0.064 25065 738 1 3 . 1 1 84 84 TRP CB C 84 29.473 29.473 30.070 -0.597 25065 739 1 3 . 1 1 85 85 SER HA H 85 4.314 4.314 4.226 0.088 25065 740 1 3 . 1 1 85 85 SER CB C 85 63.726 63.726 63.706 0.020 25065 741 1 3 . 1 1 87 87 PRO HA H 87 4.323 4.323 4.534 -0.211 25065 742 1 3 . 1 1 87 87 PRO CB C 87 31.915 31.915 31.909 0.006 25065 743 1 3 . 1 1 88 88 GLN HA H 88 4.242 4.242 4.574 -0.332 25065 744 1 3 . 1 1 88 88 GLN CA C 88 55.771 55.771 54.861 0.910 25065 745 1 3 . 1 1 88 88 GLN CB C 88 29.293 29.293 31.567 -2.274 25065 746 1 3 . 1 1 89 89 PHE HA H 89 4.650 4.650 4.816 -0.166 25065 747 1 3 . 1 1 89 89 PHE CB C 89 39.577 39.577 39.735 -0.158 25065 748 1 3 . 1 1 90 90 GLU HA H 90 4.241 4.241 3.978 0.263 25065 749 1 3 . 1 1 90 90 GLU CA C 90 56.363 56.363 57.292 -0.929 25065 750 1 3 . 1 1 90 90 GLU CB C 90 30.354 30.354 27.678 2.676 25065 751 1 4 . 1 1 3 3 MET HA H 3 4.414 4.414 4.226 0.188 25065 752 1 4 . 1 1 3 3 MET H H 3 8.447 8.447 8.335 0.112 25065 753 1 4 . 1 1 5 5 LYS HA H 5 4.253 4.253 3.885 0.368 25065 754 1 4 . 1 1 5 5 LYS CA C 5 55.810 55.810 56.539 -0.729 25065 755 1 4 . 1 1 6 6 ALA HA H 6 4.551 4.551 4.327 0.224 25065 756 1 4 . 1 1 6 6 ALA CB C 6 17.947 17.947 17.878 0.069 25065 757 1 4 . 1 1 6 6 ALA H H 6 8.400 8.400 8.725 -0.325 25065 758 1 4 . 1 1 7 7 PRO HA H 7 4.318 4.318 4.553 -0.235 25065 759 1 4 . 1 1 7 7 PRO CB C 7 31.974 31.974 32.694 -0.720 25065 760 1 4 . 1 1 8 8 GLU HA H 8 4.366 4.366 4.442 -0.076 25065 761 1 4 . 1 1 8 8 GLU CB C 8 30.764 30.764 31.341 -0.577 25065 762 1 4 . 1 1 8 8 GLU H H 8 8.738 8.738 8.991 -0.253 25065 763 1 4 . 1 1 9 9 SER HA H 9 4.521 4.521 4.574 -0.053 25065 764 1 4 . 1 1 9 9 SER CB C 9 65.043 65.043 64.656 0.387 25065 765 1 4 . 1 1 9 9 SER H H 9 8.724 8.724 8.724 0.000 25065 766 1 4 . 1 1 10 10 ALA HA H 10 4.082 4.082 4.178 -0.096 25065 767 1 4 . 1 1 10 10 ALA CB C 10 18.166 18.166 18.272 -0.106 25065 768 1 4 . 1 1 10 10 ALA H H 10 8.547 8.547 8.727 -0.180 25065 769 1 4 . 1 1 11 11 THR HA H 11 3.809 3.809 3.961 -0.152 25065 770 1 4 . 1 1 11 11 THR CA C 11 66.711 66.711 66.199 0.512 25065 771 1 4 . 1 1 11 11 THR CB C 11 68.400 68.400 68.032 0.368 25065 772 1 4 . 1 1 11 11 THR H H 11 8.186 8.186 8.340 -0.154 25065 773 1 4 . 1 1 12 12 GLU HA H 12 3.576 3.576 3.891 -0.315 25065 774 1 4 . 1 1 12 12 GLU CA C 12 60.604 60.604 59.174 1.430 25065 775 1 4 . 1 1 12 12 GLU CB C 12 29.805 29.805 29.124 0.681 25065 776 1 4 . 1 1 12 12 GLU H H 12 8.073 8.073 7.809 0.264 25065 777 1 4 . 1 1 13 13 LYS HA H 13 3.888 3.888 4.018 -0.130 25065 778 1 4 . 1 1 13 13 LYS CA C 13 60.352 60.352 59.571 0.781 25065 779 1 4 . 1 1 13 13 LYS CB C 13 32.257 32.257 32.149 0.108 25065 780 1 4 . 1 1 13 13 LYS H H 13 8.180 8.180 7.931 0.249 25065 781 1 4 . 1 1 14 14 VAL HA H 14 3.777 3.777 3.860 -0.083 25065 782 1 4 . 1 1 14 14 VAL CA C 14 66.089 66.089 65.235 0.854 25065 783 1 4 . 1 1 14 14 VAL CB C 14 31.861 31.861 31.172 0.689 25065 784 1 4 . 1 1 14 14 VAL H H 14 7.760 7.760 7.549 0.211 25065 785 1 4 . 1 1 15 15 LEU HA H 15 3.972 3.972 4.019 -0.047 25065 786 1 4 . 1 1 15 15 LEU CB C 15 42.097 42.097 41.261 0.835 25065 787 1 4 . 1 1 15 15 LEU H H 15 8.326 8.326 7.759 0.567 25065 788 1 4 . 1 1 16 16 CYS HA H 16 3.638 3.638 3.765 -0.127 25065 789 1 4 . 1 1 16 16 CYS CA C 16 65.055 65.055 64.235 0.820 25065 790 1 4 . 1 1 16 16 CYS CB C 16 26.610 26.610 26.340 0.270 25065 791 1 4 . 1 1 16 16 CYS H H 16 8.531 8.531 8.508 0.023 25065 792 1 4 . 1 1 17 17 ALA HA H 17 4.203 4.203 4.081 0.122 25065 793 1 4 . 1 1 17 17 ALA CA C 17 55.289 55.289 55.164 0.125 25065 794 1 4 . 1 1 17 17 ALA CB C 17 17.539 17.539 18.299 -0.760 25065 795 1 4 . 1 1 17 17 ALA H H 17 7.629 7.629 7.622 0.007 25065 796 1 4 . 1 1 18 18 LEU HA H 18 4.226 4.226 4.120 0.106 25065 797 1 4 . 1 1 18 18 LEU CA C 18 57.699 57.699 58.005 -0.306 25065 798 1 4 . 1 1 18 18 LEU CB C 18 42.382 42.382 40.908 1.474 25065 799 1 4 . 1 1 18 18 LEU H H 18 8.673 8.673 8.260 0.413 25065 800 1 4 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.357 -0.381 25065 801 1 4 . 1 1 19 19 TYR CB C 19 39.575 39.575 37.246 2.329 25065 802 1 4 . 1 1 19 19 TYR H H 19 9.180 9.180 8.554 0.626 25065 803 1 4 . 1 1 20 20 ALA HA H 20 3.885 3.885 3.966 -0.081 25065 804 1 4 . 1 1 20 20 ALA CA C 20 55.942 55.942 55.216 0.726 25065 805 1 4 . 1 1 20 20 ALA CB C 20 17.847 17.847 18.053 -0.206 25065 806 1 4 . 1 1 20 20 ALA H H 20 7.772 7.772 8.190 -0.418 25065 807 1 4 . 1 1 21 21 GLU HA H 21 3.995 3.995 4.017 -0.022 25065 808 1 4 . 1 1 21 21 GLU CA C 21 58.905 58.905 59.141 -0.235 25065 809 1 4 . 1 1 21 21 GLU CB C 21 30.342 30.342 29.719 0.623 25065 810 1 4 . 1 1 22 22 ILE HA H 22 3.917 3.917 3.923 -0.006 25065 811 1 4 . 1 1 22 22 ILE CA C 22 61.642 61.642 63.638 -1.996 25065 812 1 4 . 1 1 22 22 ILE CB C 22 37.107 37.107 38.345 -1.238 25065 813 1 4 . 1 1 22 22 ILE H H 22 8.299 8.299 7.425 0.874 25065 814 1 4 . 1 1 23 23 LEU HA H 23 4.134 4.134 4.287 -0.153 25065 815 1 4 . 1 1 23 23 LEU CA C 23 55.302 55.302 55.026 0.276 25065 816 1 4 . 1 1 23 23 LEU CB C 23 42.218 42.218 41.815 0.403 25065 817 1 4 . 1 1 23 23 LEU H H 23 8.477 8.477 8.140 0.337 25065 818 1 4 . 1 1 24 24 GLY CA C 24 46.801 46.801 45.610 1.191 25065 819 1 4 . 1 1 24 24 GLY H H 24 7.853 7.853 8.034 -0.181 25065 820 1 4 . 1 1 25 25 VAL HA H 25 4.590 4.590 4.660 -0.070 25065 821 1 4 . 1 1 25 25 VAL CB C 25 34.203 34.203 33.866 0.337 25065 822 1 4 . 1 1 25 25 VAL H H 25 7.349 7.349 7.548 -0.199 25065 823 1 4 . 1 1 26 26 GLU HA H 26 4.029 4.029 4.358 -0.329 25065 824 1 4 . 1 1 26 26 GLU CA C 26 58.870 58.870 56.891 1.979 25065 825 1 4 . 1 1 26 26 GLU CB C 26 30.613 30.613 30.128 0.485 25065 826 1 4 . 1 1 26 26 GLU H H 26 8.416 8.416 8.519 -0.103 25065 827 1 4 . 1 1 27 27 ARG HA H 27 4.464 4.464 4.498 -0.034 25065 828 1 4 . 1 1 27 27 ARG CB C 27 32.007 32.007 32.444 -0.437 25065 829 1 4 . 1 1 27 27 ARG H H 27 7.729 7.729 7.630 0.099 25065 830 1 4 . 1 1 28 28 VAL HA H 28 4.077 4.077 4.529 -0.452 25065 831 1 4 . 1 1 28 28 VAL CA C 28 61.719 61.719 61.095 0.624 25065 832 1 4 . 1 1 28 28 VAL CB C 28 34.774 34.774 34.805 -0.031 25065 833 1 4 . 1 1 28 28 VAL H H 28 8.344 8.344 8.473 -0.129 25065 834 1 4 . 1 1 29 29 GLY H H 29 9.223 9.223 9.048 0.175 25065 835 1 4 . 1 1 30 30 VAL HA H 30 3.581 3.581 4.031 -0.450 25065 836 1 4 . 1 1 30 30 VAL CA C 30 64.307 64.307 63.709 0.598 25065 837 1 4 . 1 1 30 30 VAL CB C 30 31.617 31.617 32.331 -0.714 25065 838 1 4 . 1 1 30 30 VAL H H 30 8.155 8.155 8.529 -0.374 25065 839 1 4 . 1 1 31 31 ASP HA H 31 5.041 5.041 4.663 0.378 25065 840 1 4 . 1 1 31 31 ASP CB C 31 41.177 41.177 40.343 0.834 25065 841 1 4 . 1 1 31 31 ASP H H 31 8.149 8.149 8.312 -0.163 25065 842 1 4 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.631 -0.009 25065 843 1 4 . 1 1 32 32 ASP CB C 32 41.799 41.799 41.482 0.317 25065 844 1 4 . 1 1 32 32 ASP H H 32 7.289 7.289 7.605 -0.316 25065 845 1 4 . 1 1 33 33 ALA HA H 33 4.093 4.093 4.622 -0.529 25065 846 1 4 . 1 1 33 33 ALA CA C 33 51.549 51.549 51.312 0.237 25065 847 1 4 . 1 1 33 33 ALA CB C 33 19.554 19.554 20.222 -0.668 25065 848 1 4 . 1 1 33 33 ALA H H 33 8.885 8.885 8.680 0.205 25065 849 1 4 . 1 1 34 34 PHE HA H 34 3.956 3.956 3.987 -0.031 25065 850 1 4 . 1 1 34 34 PHE CA C 34 62.655 62.655 62.086 0.569 25065 851 1 4 . 1 1 34 34 PHE CB C 34 40.196 40.196 39.270 0.926 25065 852 1 4 . 1 1 34 34 PHE H H 34 8.409 8.409 8.774 -0.365 25065 853 1 4 . 1 1 36 36 ASP HA H 36 4.494 4.494 4.291 0.203 25065 854 1 4 . 1 1 36 36 ASP CB C 36 40.185 40.185 40.723 -0.538 25065 855 1 4 . 1 1 37 37 LEU HA H 37 4.347 4.347 4.117 0.231 25065 856 1 4 . 1 1 37 37 LEU CB C 37 43.535 43.535 42.066 1.469 25065 857 1 4 . 1 1 37 37 LEU H H 37 7.059 7.059 7.774 -0.715 25065 858 1 4 . 1 1 38 38 GLY CA C 38 44.575 44.575 44.648 -0.073 25065 859 1 4 . 1 1 38 38 GLY H H 38 7.451 7.451 7.469 -0.018 25065 860 1 4 . 1 1 39 39 GLY CA C 39 46.469 46.469 44.143 2.326 25065 861 1 4 . 1 1 39 39 GLY H H 39 7.624 7.624 7.609 0.015 25065 862 1 4 . 1 1 40 40 SER HA H 40 4.936 4.936 4.835 0.101 25065 863 1 4 . 1 1 40 40 SER CB C 40 66.690 66.690 64.815 1.875 25065 864 1 4 . 1 1 40 40 SER H H 40 6.796 6.796 8.175 -1.379 25065 865 1 4 . 1 1 42 42 ALA HA H 42 4.194 4.194 4.215 -0.021 25065 866 1 4 . 1 1 42 42 ALA CB C 42 18.306 18.306 18.340 -0.035 25065 867 1 4 . 1 1 43 43 LEU HA H 43 4.163 4.163 4.180 -0.017 25065 868 1 4 . 1 1 43 43 LEU CB C 43 41.833 41.833 41.462 0.371 25065 869 1 4 . 1 1 44 44 ALA HA H 44 3.612 3.612 3.489 0.123 25065 870 1 4 . 1 1 44 44 ALA CA C 44 54.838 54.838 55.101 -0.263 25065 871 1 4 . 1 1 44 44 ALA CB C 44 18.153 18.153 18.093 0.060 25065 872 1 4 . 1 1 44 44 ALA H H 44 8.864 8.864 8.350 0.514 25065 873 1 4 . 1 1 45 45 MET HA H 45 4.200 4.200 4.048 0.152 25065 874 1 4 . 1 1 45 45 MET CA C 45 58.019 58.019 57.885 0.134 25065 875 1 4 . 1 1 45 45 MET CB C 45 31.141 31.141 31.918 -0.777 25065 876 1 4 . 1 1 45 45 MET H H 45 7.669 7.669 7.980 -0.311 25065 877 1 4 . 1 1 46 46 ARG HA H 46 4.187 4.187 4.096 0.091 25065 878 1 4 . 1 1 46 46 ARG CB C 46 29.748 29.748 29.845 -0.097 25065 879 1 4 . 1 1 46 46 ARG H H 46 7.239 7.239 7.341 -0.102 25065 880 1 4 . 1 1 47 47 LEU HA H 47 3.914 3.914 4.079 -0.165 25065 881 1 4 . 1 1 47 47 LEU CB C 47 41.255 41.255 41.564 -0.309 25065 882 1 4 . 1 1 47 47 LEU H H 47 8.227 8.227 8.146 0.081 25065 883 1 4 . 1 1 48 48 ILE HA H 48 3.552 3.552 3.499 0.053 25065 884 1 4 . 1 1 48 48 ILE CA C 48 65.226 65.226 65.646 -0.420 25065 885 1 4 . 1 1 48 48 ILE CB C 48 37.672 37.672 37.238 0.434 25065 886 1 4 . 1 1 48 48 ILE H H 48 8.534 8.534 7.709 0.825 25065 887 1 4 . 1 1 49 49 ALA HA H 49 4.199 4.199 4.000 0.199 25065 888 1 4 . 1 1 49 49 ALA CB C 49 17.884 17.884 18.156 -0.272 25065 889 1 4 . 1 1 49 49 ALA H H 49 7.620 7.620 7.584 0.036 25065 890 1 4 . 1 1 50 50 ARG HA H 50 4.240 4.240 4.374 -0.134 25065 891 1 4 . 1 1 50 50 ARG H H 50 7.973 7.973 8.040 -0.067 25065 892 1 4 . 1 1 51 51 ILE HA H 51 3.368 3.368 3.715 -0.347 25065 893 1 4 . 1 1 51 51 ILE CA C 51 66.422 66.422 65.429 0.993 25065 894 1 4 . 1 1 51 51 ILE CB C 51 37.825 37.825 37.645 0.180 25065 895 1 4 . 1 1 51 51 ILE H H 51 8.862 8.862 8.579 0.283 25065 896 1 4 . 1 1 52 52 ARG HA H 52 4.061 4.061 4.206 -0.145 25065 897 1 4 . 1 1 52 52 ARG CA C 52 59.614 59.614 58.868 0.745 25065 898 1 4 . 1 1 52 52 ARG CB C 52 29.519 29.519 30.029 -0.510 25065 899 1 4 . 1 1 52 52 ARG H H 52 7.861 7.861 8.287 -0.426 25065 900 1 4 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.228 -0.259 25065 901 1 4 . 1 1 53 53 GLU CA C 53 59.311 59.311 58.457 0.854 25065 902 1 4 . 1 1 53 53 GLU CB C 53 30.277 30.277 29.389 0.888 25065 903 1 4 . 1 1 53 53 GLU H H 53 7.847 7.847 7.784 0.063 25065 904 1 4 . 1 1 54 54 GLU HA H 54 4.338 4.338 4.234 0.104 25065 905 1 4 . 1 1 54 54 GLU CB C 54 30.642 30.642 30.317 0.325 25065 906 1 4 . 1 1 54 54 GLU H H 54 8.514 8.514 8.122 0.392 25065 907 1 4 . 1 1 55 55 LEU HA H 55 4.680 4.680 4.541 0.139 25065 908 1 4 . 1 1 55 55 LEU CB C 55 43.328 43.328 42.971 0.357 25065 909 1 4 . 1 1 55 55 LEU H H 55 8.658 8.658 8.268 0.390 25065 910 1 4 . 1 1 56 56 GLY CA C 56 46.596 46.596 45.708 0.888 25065 911 1 4 . 1 1 56 56 GLY H H 56 7.693 7.693 7.805 -0.112 25065 912 1 4 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.509 -0.092 25065 913 1 4 . 1 1 57 57 VAL CB C 57 35.473 35.473 34.013 1.460 25065 914 1 4 . 1 1 57 57 VAL H H 57 6.534 6.534 7.187 -0.653 25065 915 1 4 . 1 1 58 58 ASP HA H 58 4.675 4.675 4.661 0.014 25065 916 1 4 . 1 1 58 58 ASP CB C 58 41.821 41.821 41.042 0.779 25065 917 1 4 . 1 1 58 58 ASP H H 58 8.555 8.555 8.617 -0.062 25065 918 1 4 . 1 1 59 59 LEU HA H 59 4.537 4.537 4.628 -0.091 25065 919 1 4 . 1 1 59 59 LEU CB C 59 44.310 44.310 43.733 0.577 25065 920 1 4 . 1 1 59 59 LEU H H 59 8.395 8.395 7.737 0.658 25065 921 1 4 . 1 1 60 60 PRO HA H 60 4.418 4.418 4.554 -0.136 25065 922 1 4 . 1 1 60 60 PRO CB C 60 32.391 32.391 33.247 -0.856 25065 923 1 4 . 1 1 61 61 ILE HA H 61 3.635 3.635 3.753 -0.118 25065 924 1 4 . 1 1 61 61 ILE CB C 61 37.572 37.572 37.590 -0.018 25065 925 1 4 . 1 1 61 61 ILE H H 61 8.748 8.748 8.755 -0.007 25065 926 1 4 . 1 1 62 62 ARG HA H 62 3.995 3.995 3.961 0.034 25065 927 1 4 . 1 1 62 62 ARG CB C 62 29.519 29.519 29.319 0.200 25065 928 1 4 . 1 1 62 62 ARG H H 62 8.419 8.419 8.444 -0.025 25065 929 1 4 . 1 1 63 63 GLN HA H 63 4.027 4.027 4.185 -0.158 25065 930 1 4 . 1 1 63 63 GLN CB C 63 28.519 28.519 27.967 0.552 25065 931 1 4 . 1 1 63 63 GLN H H 63 7.443 7.443 7.643 -0.200 25065 932 1 4 . 1 1 64 64 LEU HA H 64 3.834 3.834 3.967 -0.133 25065 933 1 4 . 1 1 64 64 LEU CB C 64 40.786 40.786 41.943 -1.157 25065 934 1 4 . 1 1 64 64 LEU H H 64 7.261 7.261 7.784 -0.523 25065 935 1 4 . 1 1 65 65 PHE CB C 65 38.158 38.158 38.891 -0.733 25065 936 1 4 . 1 1 65 65 PHE H H 65 7.405 7.405 8.351 -0.946 25065 937 1 4 . 1 1 66 66 SER HA H 66 4.368 4.368 4.511 -0.143 25065 938 1 4 . 1 1 66 66 SER CB C 66 63.456 63.456 63.527 -0.071 25065 939 1 4 . 1 1 67 67 SER HA H 67 4.801 4.801 4.974 -0.173 25065 940 1 4 . 1 1 67 67 SER CB C 67 64.236 64.236 63.841 0.395 25065 941 1 4 . 1 1 67 67 SER H H 67 7.679 7.679 7.614 0.065 25065 942 1 4 . 1 1 68 68 PRO HA H 68 4.982 4.982 4.743 0.239 25065 943 1 4 . 1 1 68 68 PRO CB C 68 32.626 32.626 32.256 0.370 25065 944 1 4 . 1 1 69 69 THR HA H 69 5.519 5.519 5.282 0.237 25065 945 1 4 . 1 1 69 69 THR CA C 69 58.316 58.316 59.406 -1.090 25065 946 1 4 . 1 1 69 69 THR H H 69 8.253 8.253 7.770 0.483 25065 947 1 4 . 1 1 70 70 PRO HA H 70 3.787 3.787 4.031 -0.244 25065 948 1 4 . 1 1 70 70 PRO CA C 70 65.995 65.995 65.759 0.236 25065 949 1 4 . 1 1 70 70 PRO CB C 70 32.865 32.865 31.310 1.555 25065 950 1 4 . 1 1 71 71 ALA HA H 71 4.122 4.122 4.295 -0.173 25065 951 1 4 . 1 1 71 71 ALA CA C 71 55.368 55.368 55.057 0.311 25065 952 1 4 . 1 1 71 71 ALA CB C 71 18.613 18.613 18.178 0.435 25065 953 1 4 . 1 1 71 71 ALA H H 71 8.775 8.775 7.721 1.054 25065 954 1 4 . 1 1 72 72 GLY H H 72 8.186 8.186 7.527 0.659 25065 955 1 4 . 1 1 73 73 VAL HA H 73 3.565 3.565 3.607 -0.042 25065 956 1 4 . 1 1 73 73 VAL CA C 73 66.671 66.671 66.144 0.527 25065 957 1 4 . 1 1 73 73 VAL CB C 73 31.440 31.440 31.693 -0.253 25065 958 1 4 . 1 1 73 73 VAL H H 73 9.142 9.142 7.864 1.278 25065 959 1 4 . 1 1 74 74 ALA HA H 74 3.772 3.772 4.014 -0.242 25065 960 1 4 . 1 1 74 74 ALA CA C 74 55.788 55.788 55.467 0.321 25065 961 1 4 . 1 1 74 74 ALA CB C 74 18.080 18.080 18.255 -0.175 25065 962 1 4 . 1 1 74 74 ALA H H 74 8.659 8.659 8.398 0.261 25065 963 1 4 . 1 1 75 75 ARG HA H 75 4.043 4.043 4.047 -0.004 25065 964 1 4 . 1 1 75 75 ARG CA C 75 59.563 59.563 58.822 0.742 25065 965 1 4 . 1 1 75 75 ARG CB C 75 30.311 30.311 29.858 0.454 25065 966 1 4 . 1 1 75 75 ARG H H 75 7.694 7.694 7.927 -0.233 25065 967 1 4 . 1 1 76 76 ALA HA H 76 4.153 4.153 4.098 0.055 25065 968 1 4 . 1 1 76 76 ALA CA C 76 54.796 54.796 54.411 0.385 25065 969 1 4 . 1 1 76 76 ALA CB C 76 17.493 17.493 18.532 -1.039 25065 970 1 4 . 1 1 76 76 ALA H H 76 7.877 7.877 7.481 0.396 25065 971 1 4 . 1 1 77 77 LEU HA H 77 3.974 3.974 3.970 0.004 25065 972 1 4 . 1 1 77 77 LEU H H 77 8.484 8.484 8.069 0.415 25065 973 1 4 . 1 1 78 78 ALA HA H 78 4.192 4.192 4.075 0.117 25065 974 1 4 . 1 1 78 78 ALA CB C 78 18.191 18.191 17.958 0.233 25065 975 1 4 . 1 1 79 79 ALA HA H 79 4.193 4.193 4.062 0.131 25065 976 1 4 . 1 1 79 79 ALA CA C 79 53.313 53.313 54.775 -1.462 25065 977 1 4 . 1 1 79 79 ALA CB C 79 18.379 18.379 18.230 0.149 25065 978 1 4 . 1 1 79 79 ALA H H 79 7.624 7.624 7.469 0.155 25065 979 1 4 . 1 1 80 80 LYS HA H 80 4.241 4.241 4.218 0.023 25065 980 1 4 . 1 1 80 80 LYS CA C 80 56.363 56.363 58.550 -2.187 25065 981 1 4 . 1 1 80 80 LYS CB C 80 32.340 32.340 31.985 0.355 25065 982 1 4 . 1 1 80 80 LYS H H 80 7.759 7.759 7.713 0.046 25065 983 1 4 . 1 1 81 81 SER H H 81 7.888 7.888 7.840 0.048 25065 984 1 4 . 1 1 83 83 SER HA H 83 4.323 4.323 4.731 -0.408 25065 985 1 4 . 1 1 83 83 SER CA C 83 58.644 58.644 57.097 1.547 25065 986 1 4 . 1 1 83 83 SER CB C 83 63.434 63.434 64.230 -0.796 25065 987 1 4 . 1 1 84 84 TRP HA H 84 4.645 4.645 4.772 -0.127 25065 988 1 4 . 1 1 84 84 TRP CB C 84 29.473 29.473 30.527 -1.054 25065 989 1 4 . 1 1 85 85 SER HA H 85 4.314 4.314 4.177 0.137 25065 990 1 4 . 1 1 85 85 SER CB C 85 63.726 63.726 63.081 0.645 25065 991 1 4 . 1 1 87 87 PRO HA H 87 4.323 4.323 4.522 -0.199 25065 992 1 4 . 1 1 87 87 PRO CB C 87 31.915 31.915 32.557 -0.642 25065 993 1 4 . 1 1 88 88 GLN HA H 88 4.242 4.242 4.496 -0.254 25065 994 1 4 . 1 1 88 88 GLN CA C 88 55.771 55.771 55.000 0.771 25065 995 1 4 . 1 1 88 88 GLN CB C 88 29.293 29.293 30.833 -1.540 25065 996 1 4 . 1 1 89 89 PHE HA H 89 4.650 4.650 5.082 -0.432 25065 997 1 4 . 1 1 89 89 PHE CB C 89 39.577 39.577 41.744 -2.167 25065 998 1 4 . 1 1 90 90 GLU HA H 90 4.241 4.241 4.922 -0.681 25065 999 1 4 . 1 1 90 90 GLU CA C 90 56.363 56.363 55.270 1.093 25065 1000 1 4 . 1 1 90 90 GLU CB C 90 30.354 30.354 33.760 -3.406 25065 1001 1 5 . 1 1 3 3 MET HA H 3 4.414 4.414 5.067 -0.653 25065 1002 1 5 . 1 1 3 3 MET H H 3 8.447 8.447 8.608 -0.161 25065 1003 1 5 . 1 1 5 5 LYS HA H 5 4.253 4.253 4.563 -0.310 25065 1004 1 5 . 1 1 5 5 LYS CA C 5 55.810 55.810 55.494 0.316 25065 1005 1 5 . 1 1 6 6 ALA HA H 6 4.551 4.551 4.666 -0.115 25065 1006 1 5 . 1 1 6 6 ALA CB C 6 17.947 17.947 19.844 -1.897 25065 1007 1 5 . 1 1 6 6 ALA H H 6 8.400 8.400 8.354 0.046 25065 1008 1 5 . 1 1 7 7 PRO HA H 7 4.318 4.318 4.624 -0.306 25065 1009 1 5 . 1 1 7 7 PRO CB C 7 31.974 31.974 32.804 -0.830 25065 1010 1 5 . 1 1 8 8 GLU HA H 8 4.366 4.366 4.405 -0.039 25065 1011 1 5 . 1 1 8 8 GLU CB C 8 30.764 30.764 30.799 -0.035 25065 1012 1 5 . 1 1 8 8 GLU H H 8 8.738 8.738 9.015 -0.277 25065 1013 1 5 . 1 1 9 9 SER HA H 9 4.521 4.521 4.539 -0.018 25065 1014 1 5 . 1 1 9 9 SER CB C 9 65.043 65.043 63.908 1.135 25065 1015 1 5 . 1 1 9 9 SER H H 9 8.724 8.724 8.816 -0.092 25065 1016 1 5 . 1 1 10 10 ALA HA H 10 4.082 4.082 4.176 -0.094 25065 1017 1 5 . 1 1 10 10 ALA CB C 10 18.166 18.166 18.741 -0.575 25065 1018 1 5 . 1 1 10 10 ALA H H 10 8.547 8.547 9.058 -0.511 25065 1019 1 5 . 1 1 11 11 THR HA H 11 3.809 3.809 3.945 -0.136 25065 1020 1 5 . 1 1 11 11 THR CA C 11 66.711 66.711 66.075 0.636 25065 1021 1 5 . 1 1 11 11 THR CB C 11 68.400 68.400 68.671 -0.271 25065 1022 1 5 . 1 1 11 11 THR H H 11 8.186 8.186 7.639 0.547 25065 1023 1 5 . 1 1 12 12 GLU HA H 12 3.576 3.576 3.919 -0.343 25065 1024 1 5 . 1 1 12 12 GLU CA C 12 60.604 60.604 59.095 1.509 25065 1025 1 5 . 1 1 12 12 GLU CB C 12 29.805 29.805 29.251 0.554 25065 1026 1 5 . 1 1 12 12 GLU H H 12 8.073 8.073 7.826 0.247 25065 1027 1 5 . 1 1 13 13 LYS HA H 13 3.888 3.888 4.016 -0.128 25065 1028 1 5 . 1 1 13 13 LYS CA C 13 60.352 60.352 59.506 0.846 25065 1029 1 5 . 1 1 13 13 LYS CB C 13 32.257 32.257 32.083 0.174 25065 1030 1 5 . 1 1 13 13 LYS H H 13 8.180 8.180 7.588 0.592 25065 1031 1 5 . 1 1 14 14 VAL HA H 14 3.777 3.777 3.855 -0.078 25065 1032 1 5 . 1 1 14 14 VAL CA C 14 66.089 66.089 65.273 0.816 25065 1033 1 5 . 1 1 14 14 VAL CB C 14 31.861 31.861 31.615 0.246 25065 1034 1 5 . 1 1 14 14 VAL H H 14 7.760 7.760 7.549 0.211 25065 1035 1 5 . 1 1 15 15 LEU HA H 15 3.972 3.972 4.026 -0.054 25065 1036 1 5 . 1 1 15 15 LEU CB C 15 42.097 42.097 41.322 0.775 25065 1037 1 5 . 1 1 15 15 LEU H H 15 8.326 8.326 7.388 0.938 25065 1038 1 5 . 1 1 16 16 CYS HA H 16 3.638 3.638 3.781 -0.143 25065 1039 1 5 . 1 1 16 16 CYS CA C 16 65.055 65.055 64.447 0.608 25065 1040 1 5 . 1 1 16 16 CYS CB C 16 26.610 26.610 26.305 0.305 25065 1041 1 5 . 1 1 16 16 CYS H H 16 8.531 8.531 8.543 -0.012 25065 1042 1 5 . 1 1 17 17 ALA HA H 17 4.203 4.203 4.035 0.168 25065 1043 1 5 . 1 1 17 17 ALA CA C 17 55.289 55.289 55.261 0.028 25065 1044 1 5 . 1 1 17 17 ALA CB C 17 17.539 17.539 18.279 -0.740 25065 1045 1 5 . 1 1 17 17 ALA H H 17 7.629 7.629 7.765 -0.136 25065 1046 1 5 . 1 1 18 18 LEU HA H 18 4.226 4.226 4.145 0.081 25065 1047 1 5 . 1 1 18 18 LEU CA C 18 57.699 57.699 57.293 0.406 25065 1048 1 5 . 1 1 18 18 LEU CB C 18 42.382 42.382 40.560 1.822 25065 1049 1 5 . 1 1 18 18 LEU H H 18 8.673 8.673 8.178 0.495 25065 1050 1 5 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.257 -0.281 25065 1051 1 5 . 1 1 19 19 TYR CB C 19 39.575 39.575 37.359 2.216 25065 1052 1 5 . 1 1 19 19 TYR H H 19 9.180 9.180 8.713 0.467 25065 1053 1 5 . 1 1 20 20 ALA HA H 20 3.885 3.885 3.981 -0.096 25065 1054 1 5 . 1 1 20 20 ALA CA C 20 55.942 55.942 55.276 0.666 25065 1055 1 5 . 1 1 20 20 ALA CB C 20 17.847 17.847 18.165 -0.318 25065 1056 1 5 . 1 1 20 20 ALA H H 20 7.772 7.772 8.357 -0.585 25065 1057 1 5 . 1 1 21 21 GLU HA H 21 3.995 3.995 4.093 -0.098 25065 1058 1 5 . 1 1 21 21 GLU CA C 21 58.905 58.905 59.201 -0.296 25065 1059 1 5 . 1 1 21 21 GLU CB C 21 30.342 30.342 29.669 0.673 25065 1060 1 5 . 1 1 22 22 ILE HA H 22 3.917 3.917 3.932 -0.015 25065 1061 1 5 . 1 1 22 22 ILE CA C 22 61.642 61.642 63.929 -2.287 25065 1062 1 5 . 1 1 22 22 ILE CB C 22 37.107 37.107 38.595 -1.488 25065 1063 1 5 . 1 1 22 22 ILE H H 22 8.299 8.299 7.601 0.698 25065 1064 1 5 . 1 1 23 23 LEU HA H 23 4.134 4.134 4.286 -0.152 25065 1065 1 5 . 1 1 23 23 LEU CA C 23 55.302 55.302 55.256 0.046 25065 1066 1 5 . 1 1 23 23 LEU CB C 23 42.218 42.218 42.032 0.186 25065 1067 1 5 . 1 1 23 23 LEU H H 23 8.477 8.477 8.056 0.421 25065 1068 1 5 . 1 1 24 24 GLY CA C 24 46.801 46.801 45.526 1.275 25065 1069 1 5 . 1 1 24 24 GLY H H 24 7.853 7.853 8.231 -0.378 25065 1070 1 5 . 1 1 25 25 VAL HA H 25 4.590 4.590 4.497 0.093 25065 1071 1 5 . 1 1 25 25 VAL CB C 25 34.203 34.203 32.909 1.294 25065 1072 1 5 . 1 1 25 25 VAL H H 25 7.349 7.349 7.408 -0.059 25065 1073 1 5 . 1 1 26 26 GLU HA H 26 4.029 4.029 4.209 -0.180 25065 1074 1 5 . 1 1 26 26 GLU CA C 26 58.870 58.870 57.885 0.986 25065 1075 1 5 . 1 1 26 26 GLU CB C 26 30.613 30.613 30.150 0.463 25065 1076 1 5 . 1 1 26 26 GLU H H 26 8.416 8.416 8.598 -0.182 25065 1077 1 5 . 1 1 27 27 ARG HA H 27 4.464 4.464 4.556 -0.092 25065 1078 1 5 . 1 1 27 27 ARG CB C 27 32.007 32.007 32.720 -0.713 25065 1079 1 5 . 1 1 27 27 ARG H H 27 7.729 7.729 7.642 0.087 25065 1080 1 5 . 1 1 28 28 VAL HA H 28 4.077 4.077 4.376 -0.299 25065 1081 1 5 . 1 1 28 28 VAL CA C 28 61.719 61.719 61.182 0.537 25065 1082 1 5 . 1 1 28 28 VAL CB C 28 34.774 34.774 35.085 -0.311 25065 1083 1 5 . 1 1 28 28 VAL H H 28 8.344 8.344 8.435 -0.091 25065 1084 1 5 . 1 1 29 29 GLY H H 29 9.223 9.223 9.283 -0.060 25065 1085 1 5 . 1 1 30 30 VAL HA H 30 3.581 3.581 3.889 -0.308 25065 1086 1 5 . 1 1 30 30 VAL CA C 30 64.307 64.307 63.474 0.833 25065 1087 1 5 . 1 1 30 30 VAL CB C 30 31.617 31.617 31.921 -0.304 25065 1088 1 5 . 1 1 30 30 VAL H H 30 8.155 8.155 8.576 -0.421 25065 1089 1 5 . 1 1 31 31 ASP HA H 31 5.041 5.041 4.649 0.392 25065 1090 1 5 . 1 1 31 31 ASP CB C 31 41.177 41.177 41.163 0.014 25065 1091 1 5 . 1 1 31 31 ASP H H 31 8.149 8.149 8.220 -0.071 25065 1092 1 5 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.603 0.019 25065 1093 1 5 . 1 1 32 32 ASP CB C 32 41.799 41.799 41.329 0.470 25065 1094 1 5 . 1 1 32 32 ASP H H 32 7.289 7.289 7.449 -0.160 25065 1095 1 5 . 1 1 33 33 ALA HA H 33 4.093 4.093 4.507 -0.414 25065 1096 1 5 . 1 1 33 33 ALA CA C 33 51.549 51.549 50.954 0.595 25065 1097 1 5 . 1 1 33 33 ALA CB C 33 19.554 19.554 20.266 -0.712 25065 1098 1 5 . 1 1 33 33 ALA H H 33 8.885 8.885 8.294 0.591 25065 1099 1 5 . 1 1 34 34 PHE HA H 34 3.956 3.956 3.998 -0.042 25065 1100 1 5 . 1 1 34 34 PHE CA C 34 62.655 62.655 62.005 0.650 25065 1101 1 5 . 1 1 34 34 PHE CB C 34 40.196 40.196 39.355 0.841 25065 1102 1 5 . 1 1 34 34 PHE H H 34 8.409 8.409 8.292 0.117 25065 1103 1 5 . 1 1 36 36 ASP HA H 36 4.494 4.494 4.504 -0.010 25065 1104 1 5 . 1 1 36 36 ASP CB C 36 40.185 40.185 40.246 -0.061 25065 1105 1 5 . 1 1 37 37 LEU HA H 37 4.347 4.347 4.238 0.109 25065 1106 1 5 . 1 1 37 37 LEU CB C 37 43.535 43.535 41.840 1.696 25065 1107 1 5 . 1 1 37 37 LEU H H 37 7.059 7.059 7.597 -0.538 25065 1108 1 5 . 1 1 38 38 GLY CA C 38 44.575 44.575 45.161 -0.586 25065 1109 1 5 . 1 1 38 38 GLY H H 38 7.451 7.451 7.660 -0.209 25065 1110 1 5 . 1 1 39 39 GLY CA C 39 46.469 46.469 44.209 2.260 25065 1111 1 5 . 1 1 39 39 GLY H H 39 7.624 7.624 7.682 -0.058 25065 1112 1 5 . 1 1 40 40 SER HA H 40 4.936 4.936 4.942 -0.006 25065 1113 1 5 . 1 1 40 40 SER CB C 40 66.690 66.690 65.015 1.675 25065 1114 1 5 . 1 1 40 40 SER H H 40 6.796 6.796 8.221 -1.425 25065 1115 1 5 . 1 1 42 42 ALA HA H 42 4.194 4.194 4.186 0.008 25065 1116 1 5 . 1 1 42 42 ALA CB C 42 18.306 18.306 18.227 0.079 25065 1117 1 5 . 1 1 43 43 LEU HA H 43 4.163 4.163 4.132 0.031 25065 1118 1 5 . 1 1 43 43 LEU CB C 43 41.833 41.833 41.480 0.353 25065 1119 1 5 . 1 1 44 44 ALA HA H 44 3.612 3.612 3.374 0.238 25065 1120 1 5 . 1 1 44 44 ALA CA C 44 54.838 54.838 54.922 -0.084 25065 1121 1 5 . 1 1 44 44 ALA CB C 44 18.153 18.153 18.013 0.140 25065 1122 1 5 . 1 1 44 44 ALA H H 44 8.864 8.864 8.296 0.568 25065 1123 1 5 . 1 1 45 45 MET HA H 45 4.200 4.200 4.067 0.133 25065 1124 1 5 . 1 1 45 45 MET CA C 45 58.019 58.019 57.321 0.698 25065 1125 1 5 . 1 1 45 45 MET CB C 45 31.141 31.141 31.619 -0.478 25065 1126 1 5 . 1 1 45 45 MET H H 45 7.669 7.669 7.817 -0.148 25065 1127 1 5 . 1 1 46 46 ARG HA H 46 4.187 4.187 4.117 0.070 25065 1128 1 5 . 1 1 46 46 ARG CB C 46 29.748 29.748 29.474 0.274 25065 1129 1 5 . 1 1 46 46 ARG H H 46 7.239 7.239 7.624 -0.385 25065 1130 1 5 . 1 1 47 47 LEU HA H 47 3.914 3.914 4.050 -0.136 25065 1131 1 5 . 1 1 47 47 LEU CB C 47 41.255 41.255 41.385 -0.130 25065 1132 1 5 . 1 1 47 47 LEU H H 47 8.227 8.227 8.106 0.121 25065 1133 1 5 . 1 1 48 48 ILE HA H 48 3.552 3.552 3.533 0.019 25065 1134 1 5 . 1 1 48 48 ILE CA C 48 65.226 65.226 64.892 0.334 25065 1135 1 5 . 1 1 48 48 ILE CB C 48 37.672 37.672 37.149 0.523 25065 1136 1 5 . 1 1 48 48 ILE H H 48 8.534 8.534 7.228 1.306 25065 1137 1 5 . 1 1 49 49 ALA HA H 49 4.199 4.199 3.938 0.261 25065 1138 1 5 . 1 1 49 49 ALA CB C 49 17.884 17.884 18.359 -0.475 25065 1139 1 5 . 1 1 49 49 ALA H H 49 7.620 7.620 7.523 0.097 25065 1140 1 5 . 1 1 50 50 ARG HA H 50 4.240 4.240 4.088 0.152 25065 1141 1 5 . 1 1 50 50 ARG H H 50 7.973 7.973 8.070 -0.097 25065 1142 1 5 . 1 1 51 51 ILE HA H 51 3.368 3.368 3.712 -0.344 25065 1143 1 5 . 1 1 51 51 ILE CA C 51 66.422 66.422 65.338 1.084 25065 1144 1 5 . 1 1 51 51 ILE CB C 51 37.825 37.825 37.469 0.356 25065 1145 1 5 . 1 1 51 51 ILE H H 51 8.862 8.862 8.415 0.447 25065 1146 1 5 . 1 1 52 52 ARG HA H 52 4.061 4.061 4.097 -0.036 25065 1147 1 5 . 1 1 52 52 ARG CA C 52 59.614 59.614 59.358 0.256 25065 1148 1 5 . 1 1 52 52 ARG CB C 52 29.519 29.519 29.776 -0.257 25065 1149 1 5 . 1 1 52 52 ARG H H 52 7.861 7.861 7.995 -0.134 25065 1150 1 5 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.176 -0.207 25065 1151 1 5 . 1 1 53 53 GLU CA C 53 59.311 59.311 58.613 0.698 25065 1152 1 5 . 1 1 53 53 GLU CB C 53 30.277 30.277 29.236 1.041 25065 1153 1 5 . 1 1 53 53 GLU H H 53 7.847 7.847 7.671 0.176 25065 1154 1 5 . 1 1 54 54 GLU HA H 54 4.338 4.338 4.211 0.127 25065 1155 1 5 . 1 1 54 54 GLU CB C 54 30.642 30.642 30.496 0.146 25065 1156 1 5 . 1 1 54 54 GLU H H 54 8.514 8.514 7.809 0.705 25065 1157 1 5 . 1 1 55 55 LEU HA H 55 4.680 4.680 4.565 0.115 25065 1158 1 5 . 1 1 55 55 LEU CB C 55 43.328 43.328 43.090 0.238 25065 1159 1 5 . 1 1 55 55 LEU H H 55 8.658 8.658 8.463 0.195 25065 1160 1 5 . 1 1 56 56 GLY CA C 56 46.596 46.596 45.864 0.732 25065 1161 1 5 . 1 1 56 56 GLY H H 56 7.693 7.693 7.971 -0.278 25065 1162 1 5 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.515 -0.098 25065 1163 1 5 . 1 1 57 57 VAL CB C 57 35.473 35.473 34.701 0.772 25065 1164 1 5 . 1 1 57 57 VAL H H 57 6.534 6.534 7.235 -0.701 25065 1165 1 5 . 1 1 58 58 ASP HA H 58 4.675 4.675 4.731 -0.056 25065 1166 1 5 . 1 1 58 58 ASP CB C 58 41.821 41.821 43.307 -1.486 25065 1167 1 5 . 1 1 58 58 ASP H H 58 8.555 8.555 8.363 0.192 25065 1168 1 5 . 1 1 59 59 LEU HA H 59 4.537 4.537 4.622 -0.085 25065 1169 1 5 . 1 1 59 59 LEU CB C 59 44.310 44.310 44.872 -0.562 25065 1170 1 5 . 1 1 59 59 LEU H H 59 8.395 8.395 8.290 0.105 25065 1171 1 5 . 1 1 60 60 PRO HA H 60 4.418 4.418 4.514 -0.096 25065 1172 1 5 . 1 1 60 60 PRO CB C 60 32.391 32.391 32.926 -0.535 25065 1173 1 5 . 1 1 61 61 ILE HA H 61 3.635 3.635 3.464 0.171 25065 1174 1 5 . 1 1 61 61 ILE CB C 61 37.572 37.572 38.215 -0.643 25065 1175 1 5 . 1 1 61 61 ILE H H 61 8.748 8.748 8.644 0.104 25065 1176 1 5 . 1 1 62 62 ARG HA H 62 3.995 3.995 4.148 -0.153 25065 1177 1 5 . 1 1 62 62 ARG CB C 62 29.519 29.519 29.736 -0.218 25065 1178 1 5 . 1 1 62 62 ARG H H 62 8.419 8.419 8.478 -0.059 25065 1179 1 5 . 1 1 63 63 GLN HA H 63 4.027 4.027 4.157 -0.130 25065 1180 1 5 . 1 1 63 63 GLN CB C 63 28.519 28.519 28.623 -0.104 25065 1181 1 5 . 1 1 63 63 GLN H H 63 7.443 7.443 7.776 -0.333 25065 1182 1 5 . 1 1 64 64 LEU HA H 64 3.834 3.834 3.969 -0.135 25065 1183 1 5 . 1 1 64 64 LEU CB C 64 40.786 40.786 41.880 -1.094 25065 1184 1 5 . 1 1 64 64 LEU H H 64 7.261 7.261 7.364 -0.103 25065 1185 1 5 . 1 1 65 65 PHE CB C 65 38.158 38.158 38.647 -0.489 25065 1186 1 5 . 1 1 65 65 PHE H H 65 7.405 7.405 8.149 -0.744 25065 1187 1 5 . 1 1 66 66 SER HA H 66 4.368 4.368 4.558 -0.190 25065 1188 1 5 . 1 1 66 66 SER CB C 66 63.456 63.456 63.586 -0.130 25065 1189 1 5 . 1 1 67 67 SER HA H 67 4.801 4.801 4.870 -0.069 25065 1190 1 5 . 1 1 67 67 SER CB C 67 64.236 64.236 64.219 0.017 25065 1191 1 5 . 1 1 67 67 SER H H 67 7.679 7.679 7.492 0.186 25065 1192 1 5 . 1 1 68 68 PRO HA H 68 4.982 4.982 4.627 0.355 25065 1193 1 5 . 1 1 68 68 PRO CB C 68 32.626 32.626 31.952 0.674 25065 1194 1 5 . 1 1 69 69 THR HA H 69 5.519 5.519 5.236 0.283 25065 1195 1 5 . 1 1 69 69 THR CA C 69 58.316 58.316 59.465 -1.149 25065 1196 1 5 . 1 1 69 69 THR H H 69 8.253 8.253 7.760 0.493 25065 1197 1 5 . 1 1 70 70 PRO HA H 70 3.787 3.787 3.962 -0.175 25065 1198 1 5 . 1 1 70 70 PRO CA C 70 65.995 65.995 65.731 0.264 25065 1199 1 5 . 1 1 70 70 PRO CB C 70 32.865 32.865 31.269 1.596 25065 1200 1 5 . 1 1 71 71 ALA HA H 71 4.122 4.122 4.066 0.056 25065 1201 1 5 . 1 1 71 71 ALA CA C 71 55.368 55.368 55.094 0.274 25065 1202 1 5 . 1 1 71 71 ALA CB C 71 18.613 18.613 18.189 0.424 25065 1203 1 5 . 1 1 71 71 ALA H H 71 8.775 8.775 7.650 1.125 25065 1204 1 5 . 1 1 72 72 GLY H H 72 8.186 8.186 7.516 0.670 25065 1205 1 5 . 1 1 73 73 VAL HA H 73 3.565 3.565 3.551 0.014 25065 1206 1 5 . 1 1 73 73 VAL CA C 73 66.671 66.671 66.424 0.247 25065 1207 1 5 . 1 1 73 73 VAL CB C 73 31.440 31.440 31.607 -0.167 25065 1208 1 5 . 1 1 73 73 VAL H H 73 9.142 9.142 7.872 1.270 25065 1209 1 5 . 1 1 74 74 ALA HA H 74 3.772 3.772 3.940 -0.168 25065 1210 1 5 . 1 1 74 74 ALA CA C 74 55.788 55.788 55.679 0.109 25065 1211 1 5 . 1 1 74 74 ALA CB C 74 18.080 18.080 18.482 -0.402 25065 1212 1 5 . 1 1 74 74 ALA H H 74 8.659 8.659 8.410 0.249 25065 1213 1 5 . 1 1 75 75 ARG HA H 75 4.043 4.043 4.012 0.031 25065 1214 1 5 . 1 1 75 75 ARG CA C 75 59.563 59.563 59.015 0.548 25065 1215 1 5 . 1 1 75 75 ARG CB C 75 30.311 30.311 29.959 0.352 25065 1216 1 5 . 1 1 75 75 ARG H H 75 7.694 7.694 7.764 -0.070 25065 1217 1 5 . 1 1 76 76 ALA HA H 76 4.153 4.153 4.044 0.109 25065 1218 1 5 . 1 1 76 76 ALA CA C 76 54.796 54.796 54.898 -0.101 25065 1219 1 5 . 1 1 76 76 ALA CB C 76 17.493 17.493 18.645 -1.152 25065 1220 1 5 . 1 1 76 76 ALA H H 76 7.877 7.877 7.714 0.163 25065 1221 1 5 . 1 1 77 77 LEU HA H 77 3.974 3.974 3.972 0.002 25065 1222 1 5 . 1 1 77 77 LEU H H 77 8.484 8.484 8.358 0.126 25065 1223 1 5 . 1 1 78 78 ALA HA H 78 4.192 4.192 3.857 0.335 25065 1224 1 5 . 1 1 78 78 ALA CB C 78 18.191 18.191 18.073 0.118 25065 1225 1 5 . 1 1 79 79 ALA HA H 79 4.193 4.193 4.032 0.161 25065 1226 1 5 . 1 1 79 79 ALA CA C 79 53.313 53.313 55.026 -1.713 25065 1227 1 5 . 1 1 79 79 ALA CB C 79 18.379 18.379 18.502 -0.123 25065 1228 1 5 . 1 1 79 79 ALA H H 79 7.624 7.624 7.771 -0.147 25065 1229 1 5 . 1 1 80 80 LYS HA H 80 4.241 4.241 4.045 0.196 25065 1230 1 5 . 1 1 80 80 LYS CA C 80 56.363 56.363 58.279 -1.915 25065 1231 1 5 . 1 1 80 80 LYS CB C 80 32.340 32.340 32.433 -0.093 25065 1232 1 5 . 1 1 80 80 LYS H H 80 7.759 7.759 7.614 0.145 25065 1233 1 5 . 1 1 81 81 SER H H 81 7.888 7.888 7.857 0.031 25065 1234 1 5 . 1 1 83 83 SER HA H 83 4.323 4.323 4.360 -0.037 25065 1235 1 5 . 1 1 83 83 SER CA C 83 58.644 58.644 58.034 0.610 25065 1236 1 5 . 1 1 83 83 SER CB C 83 63.434 63.434 63.547 -0.113 25065 1237 1 5 . 1 1 84 84 TRP HA H 84 4.645 4.645 4.533 0.112 25065 1238 1 5 . 1 1 84 84 TRP CB C 84 29.473 29.473 29.100 0.373 25065 1239 1 5 . 1 1 85 85 SER HA H 85 4.314 4.314 4.130 0.184 25065 1240 1 5 . 1 1 85 85 SER CB C 85 63.726 63.726 63.400 0.326 25065 1241 1 5 . 1 1 87 87 PRO HA H 87 4.323 4.323 4.391 -0.068 25065 1242 1 5 . 1 1 87 87 PRO CB C 87 31.915 31.915 32.944 -1.029 25065 1243 1 5 . 1 1 88 88 GLN HA H 88 4.242 4.242 4.407 -0.165 25065 1244 1 5 . 1 1 88 88 GLN CA C 88 55.771 55.771 55.563 0.208 25065 1245 1 5 . 1 1 88 88 GLN CB C 88 29.293 29.293 29.645 -0.352 25065 1246 1 5 . 1 1 89 89 PHE HA H 89 4.650 4.650 4.479 0.171 25065 1247 1 5 . 1 1 89 89 PHE CB C 89 39.577 39.577 39.039 0.538 25065 1248 1 5 . 1 1 90 90 GLU HA H 90 4.241 4.241 4.142 0.099 25065 1249 1 5 . 1 1 90 90 GLU CA C 90 56.363 56.363 56.394 -0.031 25065 1250 1 5 . 1 1 90 90 GLU CB C 90 30.354 30.354 29.982 0.372 25065 1251 1 6 . 1 1 3 3 MET HA H 3 4.414 4.414 4.300 0.114 25065 1252 1 6 . 1 1 3 3 MET H H 3 8.447 8.447 8.939 -0.492 25065 1253 1 6 . 1 1 5 5 LYS HA H 5 4.253 4.253 4.426 -0.173 25065 1254 1 6 . 1 1 5 5 LYS CA C 5 55.810 55.810 56.486 -0.676 25065 1255 1 6 . 1 1 6 6 ALA HA H 6 4.551 4.551 4.226 0.325 25065 1256 1 6 . 1 1 6 6 ALA CB C 6 17.947 17.947 17.829 0.117 25065 1257 1 6 . 1 1 6 6 ALA H H 6 8.400 8.400 8.367 0.033 25065 1258 1 6 . 1 1 7 7 PRO HA H 7 4.318 4.318 4.482 -0.164 25065 1259 1 6 . 1 1 7 7 PRO CB C 7 31.974 31.974 32.586 -0.612 25065 1260 1 6 . 1 1 8 8 GLU HA H 8 4.366 4.366 4.409 -0.043 25065 1261 1 6 . 1 1 8 8 GLU CB C 8 30.764 30.764 30.453 0.312 25065 1262 1 6 . 1 1 8 8 GLU H H 8 8.738 8.738 9.097 -0.359 25065 1263 1 6 . 1 1 9 9 SER HA H 9 4.521 4.521 4.527 -0.006 25065 1264 1 6 . 1 1 9 9 SER CB C 9 65.043 65.043 64.129 0.914 25065 1265 1 6 . 1 1 9 9 SER H H 9 8.724 8.724 8.359 0.365 25065 1266 1 6 . 1 1 10 10 ALA HA H 10 4.082 4.082 4.174 -0.092 25065 1267 1 6 . 1 1 10 10 ALA CB C 10 18.166 18.166 18.576 -0.410 25065 1268 1 6 . 1 1 10 10 ALA H H 10 8.547 8.547 8.964 -0.417 25065 1269 1 6 . 1 1 11 11 THR HA H 11 3.809 3.809 3.989 -0.180 25065 1270 1 6 . 1 1 11 11 THR CA C 11 66.711 66.711 66.152 0.559 25065 1271 1 6 . 1 1 11 11 THR CB C 11 68.400 68.400 68.379 0.021 25065 1272 1 6 . 1 1 11 11 THR H H 11 8.186 8.186 7.631 0.555 25065 1273 1 6 . 1 1 12 12 GLU HA H 12 3.576 3.576 3.970 -0.394 25065 1274 1 6 . 1 1 12 12 GLU CA C 12 60.604 60.604 59.230 1.374 25065 1275 1 6 . 1 1 12 12 GLU CB C 12 29.805 29.805 29.004 0.801 25065 1276 1 6 . 1 1 12 12 GLU H H 12 8.073 8.073 7.936 0.137 25065 1277 1 6 . 1 1 13 13 LYS HA H 13 3.888 3.888 4.030 -0.142 25065 1278 1 6 . 1 1 13 13 LYS CA C 13 60.352 60.352 59.640 0.712 25065 1279 1 6 . 1 1 13 13 LYS CB C 13 32.257 32.257 32.026 0.231 25065 1280 1 6 . 1 1 13 13 LYS H H 13 8.180 8.180 7.725 0.455 25065 1281 1 6 . 1 1 14 14 VAL HA H 14 3.777 3.777 3.881 -0.104 25065 1282 1 6 . 1 1 14 14 VAL CA C 14 66.089 66.089 65.207 0.882 25065 1283 1 6 . 1 1 14 14 VAL CB C 14 31.861 31.861 31.216 0.645 25065 1284 1 6 . 1 1 14 14 VAL H H 14 7.760 7.760 7.498 0.262 25065 1285 1 6 . 1 1 15 15 LEU HA H 15 3.972 3.972 4.088 -0.116 25065 1286 1 6 . 1 1 15 15 LEU CB C 15 42.097 42.097 41.235 0.862 25065 1287 1 6 . 1 1 15 15 LEU H H 15 8.326 8.326 8.135 0.191 25065 1288 1 6 . 1 1 16 16 CYS HA H 16 3.638 3.638 3.842 -0.204 25065 1289 1 6 . 1 1 16 16 CYS CA C 16 65.055 65.055 62.868 2.187 25065 1290 1 6 . 1 1 16 16 CYS CB C 16 26.610 26.610 27.073 -0.463 25065 1291 1 6 . 1 1 16 16 CYS H H 16 8.531 8.531 8.482 0.049 25065 1292 1 6 . 1 1 17 17 ALA HA H 17 4.203 4.203 4.029 0.174 25065 1293 1 6 . 1 1 17 17 ALA CA C 17 55.289 55.289 55.300 -0.011 25065 1294 1 6 . 1 1 17 17 ALA CB C 17 17.539 17.539 18.331 -0.792 25065 1295 1 6 . 1 1 17 17 ALA H H 17 7.629 7.629 7.584 0.045 25065 1296 1 6 . 1 1 18 18 LEU HA H 18 4.226 4.226 4.137 0.089 25065 1297 1 6 . 1 1 18 18 LEU CA C 18 57.699 57.699 57.242 0.457 25065 1298 1 6 . 1 1 18 18 LEU CB C 18 42.382 42.382 40.613 1.769 25065 1299 1 6 . 1 1 18 18 LEU H H 18 8.673 8.673 8.014 0.659 25065 1300 1 6 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.264 -0.288 25065 1301 1 6 . 1 1 19 19 TYR CB C 19 39.575 39.575 37.518 2.057 25065 1302 1 6 . 1 1 19 19 TYR H H 19 9.180 9.180 8.538 0.642 25065 1303 1 6 . 1 1 20 20 ALA HA H 20 3.885 3.885 3.985 -0.100 25065 1304 1 6 . 1 1 20 20 ALA CA C 20 55.942 55.942 55.327 0.615 25065 1305 1 6 . 1 1 20 20 ALA CB C 20 17.847 17.847 18.046 -0.199 25065 1306 1 6 . 1 1 20 20 ALA H H 20 7.772 7.772 8.277 -0.505 25065 1307 1 6 . 1 1 21 21 GLU HA H 21 3.995 3.995 4.073 -0.078 25065 1308 1 6 . 1 1 21 21 GLU CA C 21 58.905 58.905 59.459 -0.554 25065 1309 1 6 . 1 1 21 21 GLU CB C 21 30.342 30.342 29.785 0.557 25065 1310 1 6 . 1 1 22 22 ILE HA H 22 3.917 3.917 3.934 -0.017 25065 1311 1 6 . 1 1 22 22 ILE CA C 22 61.642 61.642 63.964 -2.322 25065 1312 1 6 . 1 1 22 22 ILE CB C 22 37.107 37.107 38.644 -1.536 25065 1313 1 6 . 1 1 22 22 ILE H H 22 8.299 8.299 7.495 0.804 25065 1314 1 6 . 1 1 23 23 LEU HA H 23 4.134 4.134 4.300 -0.166 25065 1315 1 6 . 1 1 23 23 LEU CA C 23 55.302 55.302 55.234 0.068 25065 1316 1 6 . 1 1 23 23 LEU CB C 23 42.218 42.218 42.086 0.132 25065 1317 1 6 . 1 1 23 23 LEU H H 23 8.477 8.477 8.101 0.376 25065 1318 1 6 . 1 1 24 24 GLY CA C 24 46.801 46.801 45.423 1.378 25065 1319 1 6 . 1 1 24 24 GLY H H 24 7.853 7.853 8.018 -0.165 25065 1320 1 6 . 1 1 25 25 VAL HA H 25 4.590 4.590 4.667 -0.077 25065 1321 1 6 . 1 1 25 25 VAL CB C 25 34.203 34.203 33.773 0.430 25065 1322 1 6 . 1 1 25 25 VAL H H 25 7.349 7.349 7.560 -0.211 25065 1323 1 6 . 1 1 26 26 GLU HA H 26 4.029 4.029 4.358 -0.329 25065 1324 1 6 . 1 1 26 26 GLU CA C 26 58.870 58.870 56.840 2.030 25065 1325 1 6 . 1 1 26 26 GLU CB C 26 30.613 30.613 30.192 0.421 25065 1326 1 6 . 1 1 26 26 GLU H H 26 8.416 8.416 8.584 -0.168 25065 1327 1 6 . 1 1 27 27 ARG HA H 27 4.464 4.464 4.513 -0.049 25065 1328 1 6 . 1 1 27 27 ARG CB C 27 32.007 32.007 32.744 -0.737 25065 1329 1 6 . 1 1 27 27 ARG H H 27 7.729 7.729 7.523 0.206 25065 1330 1 6 . 1 1 28 28 VAL HA H 28 4.077 4.077 4.544 -0.467 25065 1331 1 6 . 1 1 28 28 VAL CA C 28 61.719 61.719 60.635 1.084 25065 1332 1 6 . 1 1 28 28 VAL CB C 28 34.774 34.774 35.497 -0.723 25065 1333 1 6 . 1 1 28 28 VAL H H 28 8.344 8.344 8.645 -0.301 25065 1334 1 6 . 1 1 29 29 GLY H H 29 9.223 9.223 8.841 0.382 25065 1335 1 6 . 1 1 30 30 VAL HA H 30 3.581 3.581 4.017 -0.436 25065 1336 1 6 . 1 1 30 30 VAL CA C 30 64.307 64.307 63.743 0.564 25065 1337 1 6 . 1 1 30 30 VAL CB C 30 31.617 31.617 32.478 -0.861 25065 1338 1 6 . 1 1 30 30 VAL H H 30 8.155 8.155 8.288 -0.133 25065 1339 1 6 . 1 1 31 31 ASP HA H 31 5.041 5.041 4.719 0.322 25065 1340 1 6 . 1 1 31 31 ASP CB C 31 41.177 41.177 40.234 0.943 25065 1341 1 6 . 1 1 31 31 ASP H H 31 8.149 8.149 8.323 -0.174 25065 1342 1 6 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.657 -0.035 25065 1343 1 6 . 1 1 32 32 ASP CB C 32 41.799 41.799 41.245 0.555 25065 1344 1 6 . 1 1 32 32 ASP H H 32 7.289 7.289 7.258 0.031 25065 1345 1 6 . 1 1 33 33 ALA HA H 33 4.093 4.093 4.593 -0.500 25065 1346 1 6 . 1 1 33 33 ALA CA C 33 51.549 51.549 51.672 -0.123 25065 1347 1 6 . 1 1 33 33 ALA CB C 33 19.554 19.554 19.997 -0.442 25065 1348 1 6 . 1 1 33 33 ALA H H 33 8.885 8.885 8.671 0.214 25065 1349 1 6 . 1 1 34 34 PHE HA H 34 3.956 3.956 4.148 -0.192 25065 1350 1 6 . 1 1 34 34 PHE CA C 34 62.655 62.655 62.765 -0.110 25065 1351 1 6 . 1 1 34 34 PHE CB C 34 40.196 40.196 39.661 0.535 25065 1352 1 6 . 1 1 34 34 PHE H H 34 8.409 8.409 8.635 -0.226 25065 1353 1 6 . 1 1 36 36 ASP HA H 36 4.494 4.494 4.402 0.092 25065 1354 1 6 . 1 1 36 36 ASP CB C 36 40.185 40.185 40.905 -0.720 25065 1355 1 6 . 1 1 37 37 LEU HA H 37 4.347 4.347 4.188 0.159 25065 1356 1 6 . 1 1 37 37 LEU CB C 37 43.535 43.535 41.708 1.827 25065 1357 1 6 . 1 1 37 37 LEU H H 37 7.059 7.059 7.377 -0.318 25065 1358 1 6 . 1 1 38 38 GLY CA C 38 44.575 44.575 44.860 -0.285 25065 1359 1 6 . 1 1 38 38 GLY H H 38 7.451 7.451 7.489 -0.038 25065 1360 1 6 . 1 1 39 39 GLY CA C 39 46.469 46.469 44.632 1.837 25065 1361 1 6 . 1 1 39 39 GLY H H 39 7.624 7.624 7.610 0.014 25065 1362 1 6 . 1 1 40 40 SER HA H 40 4.936 4.936 4.979 -0.043 25065 1363 1 6 . 1 1 40 40 SER CB C 40 66.690 66.690 65.441 1.249 25065 1364 1 6 . 1 1 40 40 SER H H 40 6.796 6.796 8.302 -1.506 25065 1365 1 6 . 1 1 42 42 ALA HA H 42 4.194 4.194 4.165 0.029 25065 1366 1 6 . 1 1 42 42 ALA CB C 42 18.306 18.306 18.213 0.093 25065 1367 1 6 . 1 1 43 43 LEU HA H 43 4.163 4.163 4.157 0.006 25065 1368 1 6 . 1 1 43 43 LEU CB C 43 41.833 41.833 41.685 0.148 25065 1369 1 6 . 1 1 44 44 ALA HA H 44 3.612 3.612 3.414 0.198 25065 1370 1 6 . 1 1 44 44 ALA CA C 44 54.838 54.838 54.903 -0.065 25065 1371 1 6 . 1 1 44 44 ALA CB C 44 18.153 18.153 18.008 0.145 25065 1372 1 6 . 1 1 44 44 ALA H H 44 8.864 8.864 8.639 0.225 25065 1373 1 6 . 1 1 45 45 MET HA H 45 4.200 4.200 4.074 0.126 25065 1374 1 6 . 1 1 45 45 MET CA C 45 58.019 58.019 57.300 0.719 25065 1375 1 6 . 1 1 45 45 MET CB C 45 31.141 31.141 31.532 -0.391 25065 1376 1 6 . 1 1 45 45 MET H H 45 7.669 7.669 8.045 -0.376 25065 1377 1 6 . 1 1 46 46 ARG HA H 46 4.187 4.187 4.037 0.150 25065 1378 1 6 . 1 1 46 46 ARG CB C 46 29.748 29.748 30.010 -0.262 25065 1379 1 6 . 1 1 46 46 ARG H H 46 7.239 7.239 7.614 -0.375 25065 1380 1 6 . 1 1 47 47 LEU HA H 47 3.914 3.914 4.053 -0.139 25065 1381 1 6 . 1 1 47 47 LEU CB C 47 41.255 41.255 41.569 -0.314 25065 1382 1 6 . 1 1 47 47 LEU H H 47 8.227 8.227 7.919 0.308 25065 1383 1 6 . 1 1 48 48 ILE HA H 48 3.552 3.552 3.446 0.106 25065 1384 1 6 . 1 1 48 48 ILE CA C 48 65.226 65.226 65.576 -0.350 25065 1385 1 6 . 1 1 48 48 ILE CB C 48 37.672 37.672 37.191 0.481 25065 1386 1 6 . 1 1 48 48 ILE H H 48 8.534 8.534 7.587 0.947 25065 1387 1 6 . 1 1 49 49 ALA HA H 49 4.199 4.199 3.964 0.235 25065 1388 1 6 . 1 1 49 49 ALA CB C 49 17.884 17.884 18.146 -0.262 25065 1389 1 6 . 1 1 49 49 ALA H H 49 7.620 7.620 7.613 0.007 25065 1390 1 6 . 1 1 50 50 ARG HA H 50 4.240 4.240 4.379 -0.139 25065 1391 1 6 . 1 1 50 50 ARG H H 50 7.973 7.973 8.112 -0.139 25065 1392 1 6 . 1 1 51 51 ILE HA H 51 3.368 3.368 3.678 -0.310 25065 1393 1 6 . 1 1 51 51 ILE CA C 51 66.422 66.422 65.534 0.888 25065 1394 1 6 . 1 1 51 51 ILE CB C 51 37.825 37.825 37.600 0.225 25065 1395 1 6 . 1 1 51 51 ILE H H 51 8.862 8.862 8.620 0.242 25065 1396 1 6 . 1 1 52 52 ARG HA H 52 4.061 4.061 4.265 -0.204 25065 1397 1 6 . 1 1 52 52 ARG CA C 52 59.614 59.614 58.898 0.716 25065 1398 1 6 . 1 1 52 52 ARG CB C 52 29.519 29.519 29.848 -0.329 25065 1399 1 6 . 1 1 52 52 ARG H H 52 7.861 7.861 8.233 -0.372 25065 1400 1 6 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.112 -0.143 25065 1401 1 6 . 1 1 53 53 GLU CA C 53 59.311 59.311 58.995 0.317 25065 1402 1 6 . 1 1 53 53 GLU CB C 53 30.277 30.277 29.651 0.626 25065 1403 1 6 . 1 1 53 53 GLU H H 53 7.847 7.847 7.864 -0.017 25065 1404 1 6 . 1 1 54 54 GLU HA H 54 4.338 4.338 4.258 0.080 25065 1405 1 6 . 1 1 54 54 GLU CB C 54 30.642 30.642 30.389 0.253 25065 1406 1 6 . 1 1 54 54 GLU H H 54 8.514 8.514 8.251 0.263 25065 1407 1 6 . 1 1 55 55 LEU HA H 55 4.680 4.680 4.565 0.115 25065 1408 1 6 . 1 1 55 55 LEU CB C 55 43.328 43.328 42.928 0.400 25065 1409 1 6 . 1 1 55 55 LEU H H 55 8.658 8.658 8.216 0.442 25065 1410 1 6 . 1 1 56 56 GLY CA C 56 46.596 46.596 45.827 0.769 25065 1411 1 6 . 1 1 56 56 GLY H H 56 7.693 7.693 7.922 -0.229 25065 1412 1 6 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.465 -0.048 25065 1413 1 6 . 1 1 57 57 VAL CB C 57 35.473 35.473 33.498 1.974 25065 1414 1 6 . 1 1 57 57 VAL H H 57 6.534 6.534 7.183 -0.649 25065 1415 1 6 . 1 1 58 58 ASP HA H 58 4.675 4.675 4.578 0.097 25065 1416 1 6 . 1 1 58 58 ASP CB C 58 41.821 41.821 41.964 -0.143 25065 1417 1 6 . 1 1 58 58 ASP H H 58 8.555 8.555 8.625 -0.070 25065 1418 1 6 . 1 1 59 59 LEU HA H 59 4.537 4.537 4.780 -0.243 25065 1419 1 6 . 1 1 59 59 LEU CB C 59 44.310 44.310 44.362 -0.052 25065 1420 1 6 . 1 1 59 59 LEU H H 59 8.395 8.395 8.296 0.099 25065 1421 1 6 . 1 1 60 60 PRO HA H 60 4.418 4.418 4.508 -0.090 25065 1422 1 6 . 1 1 60 60 PRO CB C 60 32.391 32.391 32.871 -0.480 25065 1423 1 6 . 1 1 61 61 ILE HA H 61 3.635 3.635 3.368 0.267 25065 1424 1 6 . 1 1 61 61 ILE CB C 61 37.572 37.572 38.000 -0.428 25065 1425 1 6 . 1 1 61 61 ILE H H 61 8.748 8.748 8.693 0.055 25065 1426 1 6 . 1 1 62 62 ARG HA H 62 3.995 3.995 4.133 -0.138 25065 1427 1 6 . 1 1 62 62 ARG CB C 62 29.519 29.519 29.722 -0.203 25065 1428 1 6 . 1 1 62 62 ARG H H 62 8.419 8.419 8.403 0.016 25065 1429 1 6 . 1 1 63 63 GLN HA H 63 4.027 4.027 4.161 -0.134 25065 1430 1 6 . 1 1 63 63 GLN CB C 63 28.519 28.519 28.675 -0.156 25065 1431 1 6 . 1 1 63 63 GLN H H 63 7.443 7.443 7.906 -0.463 25065 1432 1 6 . 1 1 64 64 LEU HA H 64 3.834 3.834 3.958 -0.124 25065 1433 1 6 . 1 1 64 64 LEU CB C 64 40.786 40.786 41.732 -0.946 25065 1434 1 6 . 1 1 64 64 LEU H H 64 7.261 7.261 7.286 -0.025 25065 1435 1 6 . 1 1 65 65 PHE CB C 65 38.158 38.158 38.345 -0.187 25065 1436 1 6 . 1 1 65 65 PHE H H 65 7.405 7.405 7.911 -0.506 25065 1437 1 6 . 1 1 66 66 SER HA H 66 4.368 4.368 4.541 -0.173 25065 1438 1 6 . 1 1 66 66 SER CB C 66 63.456 63.456 63.579 -0.123 25065 1439 1 6 . 1 1 67 67 SER HA H 67 4.801 4.801 4.928 -0.127 25065 1440 1 6 . 1 1 67 67 SER CB C 67 64.236 64.236 64.264 -0.028 25065 1441 1 6 . 1 1 67 67 SER H H 67 7.679 7.679 7.531 0.148 25065 1442 1 6 . 1 1 68 68 PRO HA H 68 4.982 4.982 4.795 0.187 25065 1443 1 6 . 1 1 68 68 PRO CB C 68 32.626 32.626 32.226 0.400 25065 1444 1 6 . 1 1 69 69 THR HA H 69 5.519 5.519 5.375 0.144 25065 1445 1 6 . 1 1 69 69 THR CA C 69 58.316 58.316 58.625 -0.309 25065 1446 1 6 . 1 1 69 69 THR H H 69 8.253 8.253 7.765 0.488 25065 1447 1 6 . 1 1 70 70 PRO HA H 70 3.787 3.787 3.922 -0.135 25065 1448 1 6 . 1 1 70 70 PRO CA C 70 65.995 65.995 65.640 0.355 25065 1449 1 6 . 1 1 70 70 PRO CB C 70 32.865 32.865 31.215 1.650 25065 1450 1 6 . 1 1 71 71 ALA HA H 71 4.122 4.122 4.158 -0.036 25065 1451 1 6 . 1 1 71 71 ALA CA C 71 55.368 55.368 54.837 0.531 25065 1452 1 6 . 1 1 71 71 ALA CB C 71 18.613 18.613 18.276 0.337 25065 1453 1 6 . 1 1 71 71 ALA H H 71 8.775 8.775 8.487 0.288 25065 1454 1 6 . 1 1 72 72 GLY H H 72 8.186 8.186 7.648 0.538 25065 1455 1 6 . 1 1 73 73 VAL HA H 73 3.565 3.565 3.765 -0.200 25065 1456 1 6 . 1 1 73 73 VAL CA C 73 66.671 66.671 65.453 1.218 25065 1457 1 6 . 1 1 73 73 VAL CB C 73 31.440 31.440 31.318 0.122 25065 1458 1 6 . 1 1 73 73 VAL H H 73 9.142 9.142 8.070 1.072 25065 1459 1 6 . 1 1 74 74 ALA HA H 74 3.772 3.772 3.946 -0.174 25065 1460 1 6 . 1 1 74 74 ALA CA C 74 55.788 55.788 55.604 0.184 25065 1461 1 6 . 1 1 74 74 ALA CB C 74 18.080 18.080 18.481 -0.401 25065 1462 1 6 . 1 1 74 74 ALA H H 74 8.659 8.659 8.370 0.289 25065 1463 1 6 . 1 1 75 75 ARG HA H 75 4.043 4.043 4.071 -0.028 25065 1464 1 6 . 1 1 75 75 ARG CA C 75 59.563 59.563 58.831 0.732 25065 1465 1 6 . 1 1 75 75 ARG CB C 75 30.311 30.311 30.066 0.245 25065 1466 1 6 . 1 1 75 75 ARG H H 75 7.694 7.694 7.562 0.132 25065 1467 1 6 . 1 1 76 76 ALA HA H 76 4.153 4.153 4.096 0.057 25065 1468 1 6 . 1 1 76 76 ALA CA C 76 54.796 54.796 54.859 -0.063 25065 1469 1 6 . 1 1 76 76 ALA CB C 76 17.493 17.493 18.115 -0.622 25065 1470 1 6 . 1 1 76 76 ALA H H 76 7.877 7.877 7.946 -0.069 25065 1471 1 6 . 1 1 77 77 LEU HA H 77 3.974 3.974 3.864 0.110 25065 1472 1 6 . 1 1 77 77 LEU H H 77 8.484 8.484 8.201 0.283 25065 1473 1 6 . 1 1 78 78 ALA HA H 78 4.192 4.192 3.925 0.267 25065 1474 1 6 . 1 1 78 78 ALA CB C 78 18.191 18.191 18.212 -0.021 25065 1475 1 6 . 1 1 79 79 ALA HA H 79 4.193 4.193 3.831 0.362 25065 1476 1 6 . 1 1 79 79 ALA CA C 79 53.313 53.313 54.640 -1.327 25065 1477 1 6 . 1 1 79 79 ALA CB C 79 18.379 18.379 18.247 0.132 25065 1478 1 6 . 1 1 79 79 ALA H H 79 7.624 7.624 7.947 -0.323 25065 1479 1 6 . 1 1 80 80 LYS HA H 80 4.241 4.241 4.048 0.193 25065 1480 1 6 . 1 1 80 80 LYS CA C 80 56.363 56.363 58.687 -2.324 25065 1481 1 6 . 1 1 80 80 LYS CB C 80 32.340 32.340 32.647 -0.307 25065 1482 1 6 . 1 1 80 80 LYS H H 80 7.759 7.759 7.975 -0.216 25065 1483 1 6 . 1 1 81 81 SER H H 81 7.888 7.888 7.712 0.176 25065 1484 1 6 . 1 1 83 83 SER HA H 83 4.323 4.323 4.128 0.195 25065 1485 1 6 . 1 1 83 83 SER CA C 83 58.644 58.644 60.182 -1.538 25065 1486 1 6 . 1 1 83 83 SER CB C 83 63.434 63.434 63.476 -0.042 25065 1487 1 6 . 1 1 84 84 TRP HA H 84 4.645 4.645 4.846 -0.201 25065 1488 1 6 . 1 1 84 84 TRP CB C 84 29.473 29.473 29.996 -0.523 25065 1489 1 6 . 1 1 85 85 SER HA H 85 4.314 4.314 4.116 0.198 25065 1490 1 6 . 1 1 85 85 SER CB C 85 63.726 63.726 63.715 0.011 25065 1491 1 6 . 1 1 87 87 PRO HA H 87 4.323 4.323 4.465 -0.142 25065 1492 1 6 . 1 1 87 87 PRO CB C 87 31.915 31.915 29.957 1.958 25065 1493 1 6 . 1 1 88 88 GLN HA H 88 4.242 4.242 4.379 -0.137 25065 1494 1 6 . 1 1 88 88 GLN CA C 88 55.771 55.771 54.599 1.172 25065 1495 1 6 . 1 1 88 88 GLN CB C 88 29.293 29.293 30.447 -1.154 25065 1496 1 6 . 1 1 89 89 PHE HA H 89 4.650 4.650 4.701 -0.051 25065 1497 1 6 . 1 1 89 89 PHE CB C 89 39.577 39.577 39.746 -0.169 25065 1498 1 6 . 1 1 90 90 GLU HA H 90 4.241 4.241 4.728 -0.487 25065 1499 1 6 . 1 1 90 90 GLU CA C 90 56.363 56.363 55.534 0.829 25065 1500 1 6 . 1 1 90 90 GLU CB C 90 30.354 30.354 32.697 -2.343 25065 1501 1 7 . 1 1 3 3 MET HA H 3 4.414 4.414 4.382 0.032 25065 1502 1 7 . 1 1 3 3 MET H H 3 8.447 8.447 8.549 -0.102 25065 1503 1 7 . 1 1 5 5 LYS HA H 5 4.253 4.253 4.484 -0.231 25065 1504 1 7 . 1 1 5 5 LYS CA C 5 55.810 55.810 55.698 0.112 25065 1505 1 7 . 1 1 6 6 ALA HA H 6 4.551 4.551 4.969 -0.418 25065 1506 1 7 . 1 1 6 6 ALA CB C 6 17.947 17.947 20.043 -2.096 25065 1507 1 7 . 1 1 6 6 ALA H H 6 8.400 8.400 8.657 -0.257 25065 1508 1 7 . 1 1 7 7 PRO HA H 7 4.318 4.318 4.598 -0.280 25065 1509 1 7 . 1 1 7 7 PRO CB C 7 31.974 31.974 32.619 -0.645 25065 1510 1 7 . 1 1 8 8 GLU HA H 8 4.366 4.366 3.816 0.550 25065 1511 1 7 . 1 1 8 8 GLU CB C 8 30.764 30.764 28.193 2.571 25065 1512 1 7 . 1 1 8 8 GLU H H 8 8.738 8.738 8.506 0.232 25065 1513 1 7 . 1 1 9 9 SER HA H 9 4.521 4.521 4.374 0.147 25065 1514 1 7 . 1 1 9 9 SER CB C 9 65.043 65.043 64.153 0.890 25065 1515 1 7 . 1 1 9 9 SER H H 9 8.724 8.724 8.236 0.488 25065 1516 1 7 . 1 1 10 10 ALA HA H 10 4.082 4.082 4.077 0.005 25065 1517 1 7 . 1 1 10 10 ALA CB C 10 18.166 18.166 18.394 -0.228 25065 1518 1 7 . 1 1 10 10 ALA H H 10 8.547 8.547 8.687 -0.140 25065 1519 1 7 . 1 1 11 11 THR HA H 11 3.809 3.809 4.091 -0.282 25065 1520 1 7 . 1 1 11 11 THR CA C 11 66.711 66.711 65.556 1.155 25065 1521 1 7 . 1 1 11 11 THR CB C 11 68.400 68.400 68.227 0.173 25065 1522 1 7 . 1 1 11 11 THR H H 11 8.186 8.186 8.163 0.023 25065 1523 1 7 . 1 1 12 12 GLU HA H 12 3.576 3.576 3.981 -0.405 25065 1524 1 7 . 1 1 12 12 GLU CA C 12 60.604 60.604 59.242 1.362 25065 1525 1 7 . 1 1 12 12 GLU CB C 12 29.805 29.805 29.160 0.645 25065 1526 1 7 . 1 1 12 12 GLU H H 12 8.073 8.073 7.831 0.242 25065 1527 1 7 . 1 1 13 13 LYS HA H 13 3.888 3.888 4.049 -0.161 25065 1528 1 7 . 1 1 13 13 LYS CA C 13 60.352 60.352 59.768 0.584 25065 1529 1 7 . 1 1 13 13 LYS CB C 13 32.257 32.257 32.118 0.139 25065 1530 1 7 . 1 1 13 13 LYS H H 13 8.180 8.180 7.671 0.509 25065 1531 1 7 . 1 1 14 14 VAL HA H 14 3.777 3.777 3.876 -0.099 25065 1532 1 7 . 1 1 14 14 VAL CA C 14 66.089 66.089 65.253 0.836 25065 1533 1 7 . 1 1 14 14 VAL CB C 14 31.861 31.861 31.738 0.123 25065 1534 1 7 . 1 1 14 14 VAL H H 14 7.760 7.760 7.385 0.375 25065 1535 1 7 . 1 1 15 15 LEU HA H 15 3.972 3.972 4.140 -0.168 25065 1536 1 7 . 1 1 15 15 LEU CB C 15 42.097 42.097 41.685 0.412 25065 1537 1 7 . 1 1 15 15 LEU H H 15 8.326 8.326 7.592 0.734 25065 1538 1 7 . 1 1 16 16 CYS HA H 16 3.638 3.638 3.891 -0.253 25065 1539 1 7 . 1 1 16 16 CYS CA C 16 65.055 65.055 64.319 0.737 25065 1540 1 7 . 1 1 16 16 CYS CB C 16 26.610 26.610 26.441 0.170 25065 1541 1 7 . 1 1 16 16 CYS H H 16 8.531 8.531 8.538 -0.007 25065 1542 1 7 . 1 1 17 17 ALA HA H 17 4.203 4.203 4.043 0.160 25065 1543 1 7 . 1 1 17 17 ALA CA C 17 55.289 55.289 55.413 -0.123 25065 1544 1 7 . 1 1 17 17 ALA CB C 17 17.539 17.539 18.261 -0.722 25065 1545 1 7 . 1 1 17 17 ALA H H 17 7.629 7.629 7.716 -0.087 25065 1546 1 7 . 1 1 18 18 LEU HA H 18 4.226 4.226 4.143 0.083 25065 1547 1 7 . 1 1 18 18 LEU CA C 18 57.699 57.699 57.551 0.148 25065 1548 1 7 . 1 1 18 18 LEU CB C 18 42.382 42.382 40.672 1.710 25065 1549 1 7 . 1 1 18 18 LEU H H 18 8.673 8.673 7.951 0.722 25065 1550 1 7 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.282 -0.306 25065 1551 1 7 . 1 1 19 19 TYR CB C 19 39.575 39.575 37.685 1.890 25065 1552 1 7 . 1 1 19 19 TYR H H 19 9.180 9.180 8.462 0.718 25065 1553 1 7 . 1 1 20 20 ALA HA H 20 3.885 3.885 3.978 -0.093 25065 1554 1 7 . 1 1 20 20 ALA CA C 20 55.942 55.942 55.232 0.710 25065 1555 1 7 . 1 1 20 20 ALA CB C 20 17.847 17.847 18.083 -0.236 25065 1556 1 7 . 1 1 20 20 ALA H H 20 7.772 7.772 8.578 -0.806 25065 1557 1 7 . 1 1 21 21 GLU HA H 21 3.995 3.995 4.085 -0.090 25065 1558 1 7 . 1 1 21 21 GLU CA C 21 58.905 58.905 59.259 -0.354 25065 1559 1 7 . 1 1 21 21 GLU CB C 21 30.342 30.342 29.757 0.585 25065 1560 1 7 . 1 1 22 22 ILE HA H 22 3.917 3.917 3.946 -0.029 25065 1561 1 7 . 1 1 22 22 ILE CA C 22 61.642 61.642 63.572 -1.929 25065 1562 1 7 . 1 1 22 22 ILE CB C 22 37.107 37.107 38.605 -1.498 25065 1563 1 7 . 1 1 22 22 ILE H H 22 8.299 8.299 7.410 0.889 25065 1564 1 7 . 1 1 23 23 LEU HA H 23 4.134 4.134 4.260 -0.126 25065 1565 1 7 . 1 1 23 23 LEU CA C 23 55.302 55.302 55.425 -0.123 25065 1566 1 7 . 1 1 23 23 LEU CB C 23 42.218 42.218 41.991 0.227 25065 1567 1 7 . 1 1 23 23 LEU H H 23 8.477 8.477 8.059 0.418 25065 1568 1 7 . 1 1 24 24 GLY CA C 24 46.801 46.801 45.426 1.375 25065 1569 1 7 . 1 1 24 24 GLY H H 24 7.853 7.853 8.182 -0.329 25065 1570 1 7 . 1 1 25 25 VAL HA H 25 4.590 4.590 4.501 0.089 25065 1571 1 7 . 1 1 25 25 VAL CB C 25 34.203 34.203 33.008 1.194 25065 1572 1 7 . 1 1 25 25 VAL H H 25 7.349 7.349 7.412 -0.063 25065 1573 1 7 . 1 1 26 26 GLU HA H 26 4.029 4.029 4.183 -0.154 25065 1574 1 7 . 1 1 26 26 GLU CA C 26 58.870 58.870 58.053 0.817 25065 1575 1 7 . 1 1 26 26 GLU CB C 26 30.613 30.613 30.177 0.436 25065 1576 1 7 . 1 1 26 26 GLU H H 26 8.416 8.416 8.607 -0.191 25065 1577 1 7 . 1 1 27 27 ARG HA H 27 4.464 4.464 4.575 -0.111 25065 1578 1 7 . 1 1 27 27 ARG CB C 27 32.007 32.007 32.621 -0.614 25065 1579 1 7 . 1 1 27 27 ARG H H 27 7.729 7.729 7.691 0.038 25065 1580 1 7 . 1 1 28 28 VAL HA H 28 4.077 4.077 4.488 -0.411 25065 1581 1 7 . 1 1 28 28 VAL CA C 28 61.719 61.719 60.644 1.075 25065 1582 1 7 . 1 1 28 28 VAL CB C 28 34.774 34.774 34.708 0.066 25065 1583 1 7 . 1 1 28 28 VAL H H 28 8.344 8.344 8.450 -0.106 25065 1584 1 7 . 1 1 29 29 GLY H H 29 9.223 9.223 8.879 0.344 25065 1585 1 7 . 1 1 30 30 VAL HA H 30 3.581 3.581 4.049 -0.468 25065 1586 1 7 . 1 1 30 30 VAL CA C 30 64.307 64.307 63.743 0.564 25065 1587 1 7 . 1 1 30 30 VAL CB C 30 31.617 31.617 32.463 -0.846 25065 1588 1 7 . 1 1 30 30 VAL H H 30 8.155 8.155 8.502 -0.347 25065 1589 1 7 . 1 1 31 31 ASP HA H 31 5.041 5.041 4.787 0.254 25065 1590 1 7 . 1 1 31 31 ASP CB C 31 41.177 41.177 40.689 0.488 25065 1591 1 7 . 1 1 31 31 ASP H H 31 8.149 8.149 8.351 -0.202 25065 1592 1 7 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.599 0.023 25065 1593 1 7 . 1 1 32 32 ASP CB C 32 41.799 41.799 41.206 0.593 25065 1594 1 7 . 1 1 32 32 ASP H H 32 7.289 7.289 7.430 -0.141 25065 1595 1 7 . 1 1 33 33 ALA HA H 33 4.093 4.093 4.708 -0.615 25065 1596 1 7 . 1 1 33 33 ALA CA C 33 51.549 51.549 51.303 0.246 25065 1597 1 7 . 1 1 33 33 ALA CB C 33 19.554 19.554 20.384 -0.830 25065 1598 1 7 . 1 1 33 33 ALA H H 33 8.885 8.885 8.564 0.321 25065 1599 1 7 . 1 1 34 34 PHE HA H 34 3.956 3.956 4.127 -0.171 25065 1600 1 7 . 1 1 34 34 PHE CA C 34 62.655 62.655 62.211 0.444 25065 1601 1 7 . 1 1 34 34 PHE CB C 34 40.196 40.196 39.194 1.002 25065 1602 1 7 . 1 1 34 34 PHE H H 34 8.409 8.409 8.795 -0.386 25065 1603 1 7 . 1 1 36 36 ASP HA H 36 4.494 4.494 4.351 0.143 25065 1604 1 7 . 1 1 36 36 ASP CB C 36 40.185 40.185 40.752 -0.567 25065 1605 1 7 . 1 1 37 37 LEU HA H 37 4.347 4.347 4.253 0.094 25065 1606 1 7 . 1 1 37 37 LEU CB C 37 43.535 43.535 42.083 1.452 25065 1607 1 7 . 1 1 37 37 LEU H H 37 7.059 7.059 7.590 -0.531 25065 1608 1 7 . 1 1 38 38 GLY CA C 38 44.575 44.575 45.030 -0.455 25065 1609 1 7 . 1 1 38 38 GLY H H 38 7.451 7.451 7.466 -0.015 25065 1610 1 7 . 1 1 39 39 GLY CA C 39 46.469 46.469 44.202 2.267 25065 1611 1 7 . 1 1 39 39 GLY H H 39 7.624 7.624 7.799 -0.175 25065 1612 1 7 . 1 1 40 40 SER HA H 40 4.936 4.936 4.877 0.059 25065 1613 1 7 . 1 1 40 40 SER CB C 40 66.690 66.690 65.286 1.404 25065 1614 1 7 . 1 1 40 40 SER H H 40 6.796 6.796 8.300 -1.504 25065 1615 1 7 . 1 1 42 42 ALA HA H 42 4.194 4.194 4.216 -0.022 25065 1616 1 7 . 1 1 42 42 ALA CB C 42 18.306 18.306 18.628 -0.322 25065 1617 1 7 . 1 1 43 43 LEU HA H 43 4.163 4.163 4.126 0.037 25065 1618 1 7 . 1 1 43 43 LEU CB C 43 41.833 41.833 41.933 -0.100 25065 1619 1 7 . 1 1 44 44 ALA HA H 44 3.612 3.612 3.488 0.124 25065 1620 1 7 . 1 1 44 44 ALA CA C 44 54.838 54.838 54.769 0.069 25065 1621 1 7 . 1 1 44 44 ALA CB C 44 18.153 18.153 17.774 0.379 25065 1622 1 7 . 1 1 44 44 ALA H H 44 8.864 8.864 8.206 0.658 25065 1623 1 7 . 1 1 45 45 MET HA H 45 4.200 4.200 3.971 0.229 25065 1624 1 7 . 1 1 45 45 MET CA C 45 58.019 58.019 59.437 -1.418 25065 1625 1 7 . 1 1 45 45 MET CB C 45 31.141 31.141 32.462 -1.321 25065 1626 1 7 . 1 1 45 45 MET H H 45 7.669 7.669 7.753 -0.084 25065 1627 1 7 . 1 1 46 46 ARG HA H 46 4.187 4.187 4.095 0.092 25065 1628 1 7 . 1 1 46 46 ARG CB C 46 29.748 29.748 29.947 -0.199 25065 1629 1 7 . 1 1 46 46 ARG H H 46 7.239 7.239 7.549 -0.310 25065 1630 1 7 . 1 1 47 47 LEU HA H 47 3.914 3.914 4.078 -0.164 25065 1631 1 7 . 1 1 47 47 LEU CB C 47 41.255 41.255 41.617 -0.362 25065 1632 1 7 . 1 1 47 47 LEU H H 47 8.227 8.227 7.886 0.341 25065 1633 1 7 . 1 1 48 48 ILE HA H 48 3.552 3.552 3.489 0.063 25065 1634 1 7 . 1 1 48 48 ILE CA C 48 65.226 65.226 65.642 -0.416 25065 1635 1 7 . 1 1 48 48 ILE CB C 48 37.672 37.672 37.324 0.348 25065 1636 1 7 . 1 1 48 48 ILE H H 48 8.534 8.534 7.592 0.942 25065 1637 1 7 . 1 1 49 49 ALA HA H 49 4.199 4.199 4.009 0.190 25065 1638 1 7 . 1 1 49 49 ALA CB C 49 17.884 17.884 18.247 -0.363 25065 1639 1 7 . 1 1 49 49 ALA H H 49 7.620 7.620 7.555 0.065 25065 1640 1 7 . 1 1 50 50 ARG HA H 50 4.240 4.240 4.358 -0.118 25065 1641 1 7 . 1 1 50 50 ARG H H 50 7.973 7.973 7.995 -0.022 25065 1642 1 7 . 1 1 51 51 ILE HA H 51 3.368 3.368 3.737 -0.369 25065 1643 1 7 . 1 1 51 51 ILE CA C 51 66.422 66.422 65.381 1.041 25065 1644 1 7 . 1 1 51 51 ILE CB C 51 37.825 37.825 37.583 0.242 25065 1645 1 7 . 1 1 51 51 ILE H H 51 8.862 8.862 8.446 0.416 25065 1646 1 7 . 1 1 52 52 ARG HA H 52 4.061 4.061 4.147 -0.086 25065 1647 1 7 . 1 1 52 52 ARG CA C 52 59.614 59.614 59.046 0.568 25065 1648 1 7 . 1 1 52 52 ARG CB C 52 29.519 29.519 29.730 -0.211 25065 1649 1 7 . 1 1 52 52 ARG H H 52 7.861 7.861 7.901 -0.040 25065 1650 1 7 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.143 -0.174 25065 1651 1 7 . 1 1 53 53 GLU CA C 53 59.311 59.311 58.963 0.348 25065 1652 1 7 . 1 1 53 53 GLU CB C 53 30.277 30.277 29.715 0.562 25065 1653 1 7 . 1 1 53 53 GLU H H 53 7.847 7.847 7.732 0.115 25065 1654 1 7 . 1 1 54 54 GLU HA H 54 4.338 4.338 4.320 0.018 25065 1655 1 7 . 1 1 54 54 GLU CB C 54 30.642 30.642 30.563 0.079 25065 1656 1 7 . 1 1 54 54 GLU H H 54 8.514 8.514 8.000 0.514 25065 1657 1 7 . 1 1 55 55 LEU HA H 55 4.680 4.680 4.532 0.148 25065 1658 1 7 . 1 1 55 55 LEU CB C 55 43.328 43.328 43.057 0.271 25065 1659 1 7 . 1 1 55 55 LEU H H 55 8.658 8.658 8.303 0.355 25065 1660 1 7 . 1 1 56 56 GLY CA C 56 46.596 46.596 45.851 0.745 25065 1661 1 7 . 1 1 56 56 GLY H H 56 7.693 7.693 7.922 -0.229 25065 1662 1 7 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.333 0.084 25065 1663 1 7 . 1 1 57 57 VAL CB C 57 35.473 35.473 33.217 2.256 25065 1664 1 7 . 1 1 57 57 VAL H H 57 6.534 6.534 7.378 -0.844 25065 1665 1 7 . 1 1 58 58 ASP HA H 58 4.675 4.675 4.487 0.188 25065 1666 1 7 . 1 1 58 58 ASP CB C 58 41.821 41.821 40.703 1.118 25065 1667 1 7 . 1 1 58 58 ASP H H 58 8.555 8.555 8.455 0.100 25065 1668 1 7 . 1 1 59 59 LEU HA H 59 4.537 4.537 4.729 -0.192 25065 1669 1 7 . 1 1 59 59 LEU CB C 59 44.310 44.310 44.469 -0.159 25065 1670 1 7 . 1 1 59 59 LEU H H 59 8.395 8.395 7.966 0.429 25065 1671 1 7 . 1 1 60 60 PRO HA H 60 4.418 4.418 4.630 -0.212 25065 1672 1 7 . 1 1 60 60 PRO CB C 60 32.391 32.391 32.903 -0.512 25065 1673 1 7 . 1 1 61 61 ILE HA H 61 3.635 3.635 3.823 -0.188 25065 1674 1 7 . 1 1 61 61 ILE CB C 61 37.572 37.572 38.089 -0.517 25065 1675 1 7 . 1 1 61 61 ILE H H 61 8.748 8.748 8.562 0.186 25065 1676 1 7 . 1 1 62 62 ARG HA H 62 3.995 3.995 3.916 0.079 25065 1677 1 7 . 1 1 62 62 ARG CB C 62 29.519 29.519 29.603 -0.084 25065 1678 1 7 . 1 1 62 62 ARG H H 62 8.419 8.419 8.346 0.073 25065 1679 1 7 . 1 1 63 63 GLN HA H 63 4.027 4.027 4.189 -0.162 25065 1680 1 7 . 1 1 63 63 GLN CB C 63 28.519 28.519 28.032 0.487 25065 1681 1 7 . 1 1 63 63 GLN H H 63 7.443 7.443 7.765 -0.322 25065 1682 1 7 . 1 1 64 64 LEU HA H 64 3.834 3.834 4.153 -0.319 25065 1683 1 7 . 1 1 64 64 LEU CB C 64 40.786 40.786 42.004 -1.218 25065 1684 1 7 . 1 1 64 64 LEU H H 64 7.261 7.261 7.732 -0.471 25065 1685 1 7 . 1 1 65 65 PHE CB C 65 38.158 38.158 38.934 -0.776 25065 1686 1 7 . 1 1 65 65 PHE H H 65 7.405 7.405 8.235 -0.830 25065 1687 1 7 . 1 1 66 66 SER HA H 66 4.368 4.368 4.609 -0.241 25065 1688 1 7 . 1 1 66 66 SER CB C 66 63.456 63.456 64.418 -0.962 25065 1689 1 7 . 1 1 67 67 SER HA H 67 4.801 4.801 4.872 -0.071 25065 1690 1 7 . 1 1 67 67 SER CB C 67 64.236 64.236 63.659 0.577 25065 1691 1 7 . 1 1 67 67 SER H H 67 7.679 7.679 7.502 0.177 25065 1692 1 7 . 1 1 68 68 PRO HA H 68 4.982 4.982 4.675 0.307 25065 1693 1 7 . 1 1 68 68 PRO CB C 68 32.626 32.626 32.602 0.024 25065 1694 1 7 . 1 1 69 69 THR HA H 69 5.519 5.519 5.435 0.084 25065 1695 1 7 . 1 1 69 69 THR CA C 69 58.316 58.316 58.152 0.164 25065 1696 1 7 . 1 1 69 69 THR H H 69 8.253 8.253 7.369 0.884 25065 1697 1 7 . 1 1 70 70 PRO HA H 70 3.787 3.787 3.844 -0.057 25065 1698 1 7 . 1 1 70 70 PRO CA C 70 65.995 65.995 65.536 0.459 25065 1699 1 7 . 1 1 70 70 PRO CB C 70 32.865 32.865 31.265 1.600 25065 1700 1 7 . 1 1 71 71 ALA HA H 71 4.122 4.122 3.964 0.158 25065 1701 1 7 . 1 1 71 71 ALA CA C 71 55.368 55.368 54.918 0.450 25065 1702 1 7 . 1 1 71 71 ALA CB C 71 18.613 18.613 18.303 0.310 25065 1703 1 7 . 1 1 71 71 ALA H H 71 8.775 8.775 8.195 0.580 25065 1704 1 7 . 1 1 72 72 GLY H H 72 8.186 8.186 7.719 0.467 25065 1705 1 7 . 1 1 73 73 VAL HA H 73 3.565 3.565 3.782 -0.217 25065 1706 1 7 . 1 1 73 73 VAL CA C 73 66.671 66.671 65.382 1.289 25065 1707 1 7 . 1 1 73 73 VAL CB C 73 31.440 31.440 31.001 0.439 25065 1708 1 7 . 1 1 73 73 VAL H H 73 9.142 9.142 7.767 1.375 25065 1709 1 7 . 1 1 74 74 ALA HA H 74 3.772 3.772 4.054 -0.282 25065 1710 1 7 . 1 1 74 74 ALA CA C 74 55.788 55.788 55.485 0.303 25065 1711 1 7 . 1 1 74 74 ALA CB C 74 18.080 18.080 18.437 -0.357 25065 1712 1 7 . 1 1 74 74 ALA H H 74 8.659 8.659 8.328 0.331 25065 1713 1 7 . 1 1 75 75 ARG HA H 75 4.043 4.043 4.099 -0.056 25065 1714 1 7 . 1 1 75 75 ARG CA C 75 59.563 59.563 58.792 0.771 25065 1715 1 7 . 1 1 75 75 ARG CB C 75 30.311 30.311 29.892 0.419 25065 1716 1 7 . 1 1 75 75 ARG H H 75 7.694 7.694 8.092 -0.398 25065 1717 1 7 . 1 1 76 76 ALA HA H 76 4.153 4.153 4.100 0.053 25065 1718 1 7 . 1 1 76 76 ALA CA C 76 54.796 54.796 54.848 -0.052 25065 1719 1 7 . 1 1 76 76 ALA CB C 76 17.493 17.493 18.669 -1.177 25065 1720 1 7 . 1 1 76 76 ALA H H 76 7.877 7.877 7.594 0.283 25065 1721 1 7 . 1 1 77 77 LEU HA H 77 3.974 3.974 4.035 -0.061 25065 1722 1 7 . 1 1 77 77 LEU H H 77 8.484 8.484 8.144 0.340 25065 1723 1 7 . 1 1 78 78 ALA HA H 78 4.192 4.192 4.101 0.091 25065 1724 1 7 . 1 1 78 78 ALA CB C 78 18.191 18.191 18.161 0.030 25065 1725 1 7 . 1 1 79 79 ALA HA H 79 4.193 4.193 4.182 0.011 25065 1726 1 7 . 1 1 79 79 ALA CA C 79 53.313 53.313 54.513 -1.200 25065 1727 1 7 . 1 1 79 79 ALA CB C 79 18.379 18.379 18.360 0.019 25065 1728 1 7 . 1 1 79 79 ALA H H 79 7.624 7.624 7.385 0.239 25065 1729 1 7 . 1 1 80 80 LYS HA H 80 4.241 4.241 4.105 0.136 25065 1730 1 7 . 1 1 80 80 LYS CA C 80 56.363 56.363 58.545 -2.182 25065 1731 1 7 . 1 1 80 80 LYS CB C 80 32.340 32.340 32.165 0.175 25065 1732 1 7 . 1 1 80 80 LYS H H 80 7.759 7.759 7.941 -0.182 25065 1733 1 7 . 1 1 81 81 SER H H 81 7.888 7.888 8.040 -0.152 25065 1734 1 7 . 1 1 83 83 SER HA H 83 4.323 4.323 4.109 0.214 25065 1735 1 7 . 1 1 83 83 SER CA C 83 58.644 58.644 59.465 -0.821 25065 1736 1 7 . 1 1 83 83 SER CB C 83 63.434 63.434 63.344 0.090 25065 1737 1 7 . 1 1 84 84 TRP HA H 84 4.645 4.645 4.314 0.331 25065 1738 1 7 . 1 1 84 84 TRP CB C 84 29.473 29.473 27.144 2.329 25065 1739 1 7 . 1 1 85 85 SER HA H 85 4.314 4.314 4.402 -0.088 25065 1740 1 7 . 1 1 85 85 SER CB C 85 63.726 63.726 64.091 -0.365 25065 1741 1 7 . 1 1 87 87 PRO HA H 87 4.323 4.323 4.382 -0.059 25065 1742 1 7 . 1 1 87 87 PRO CB C 87 31.915 31.915 32.824 -0.909 25065 1743 1 7 . 1 1 88 88 GLN HA H 88 4.242 4.242 4.287 -0.045 25065 1744 1 7 . 1 1 88 88 GLN CA C 88 55.771 55.771 54.834 0.937 25065 1745 1 7 . 1 1 88 88 GLN CB C 88 29.293 29.293 31.269 -1.976 25065 1746 1 7 . 1 1 89 89 PHE HA H 89 4.650 4.650 4.756 -0.106 25065 1747 1 7 . 1 1 89 89 PHE CB C 89 39.577 39.577 39.580 -0.003 25065 1748 1 7 . 1 1 90 90 GLU HA H 90 4.241 4.241 4.502 -0.261 25065 1749 1 7 . 1 1 90 90 GLU CA C 90 56.363 56.363 55.730 0.633 25065 1750 1 7 . 1 1 90 90 GLU CB C 90 30.354 30.354 30.453 -0.100 25065 1751 1 8 . 1 1 3 3 MET HA H 3 4.414 4.414 4.657 -0.243 25065 1752 1 8 . 1 1 3 3 MET H H 3 8.447 8.447 8.125 0.322 25065 1753 1 8 . 1 1 5 5 LYS HA H 5 4.253 4.253 4.363 -0.110 25065 1754 1 8 . 1 1 5 5 LYS CA C 5 55.810 55.810 56.999 -1.189 25065 1755 1 8 . 1 1 6 6 ALA HA H 6 4.551 4.551 4.682 -0.131 25065 1756 1 8 . 1 1 6 6 ALA CB C 6 17.947 17.947 18.736 -0.789 25065 1757 1 8 . 1 1 6 6 ALA H H 6 8.400 8.400 8.481 -0.081 25065 1758 1 8 . 1 1 7 7 PRO HA H 7 4.318 4.318 4.878 -0.560 25065 1759 1 8 . 1 1 7 7 PRO CB C 7 31.974 31.974 32.413 -0.439 25065 1760 1 8 . 1 1 8 8 GLU HA H 8 4.366 4.366 3.912 0.454 25065 1761 1 8 . 1 1 8 8 GLU CB C 8 30.764 30.764 27.073 3.691 25065 1762 1 8 . 1 1 8 8 GLU H H 8 8.738 8.738 8.446 0.292 25065 1763 1 8 . 1 1 9 9 SER HA H 9 4.521 4.521 4.330 0.191 25065 1764 1 8 . 1 1 9 9 SER CB C 9 65.043 65.043 63.978 1.065 25065 1765 1 8 . 1 1 9 9 SER H H 9 8.724 8.724 7.956 0.768 25065 1766 1 8 . 1 1 10 10 ALA HA H 10 4.082 4.082 4.048 0.034 25065 1767 1 8 . 1 1 10 10 ALA CB C 10 18.166 18.166 17.880 0.286 25065 1768 1 8 . 1 1 10 10 ALA H H 10 8.547 8.547 8.913 -0.366 25065 1769 1 8 . 1 1 11 11 THR HA H 11 3.809 3.809 3.989 -0.180 25065 1770 1 8 . 1 1 11 11 THR CA C 11 66.711 66.711 65.932 0.779 25065 1771 1 8 . 1 1 11 11 THR CB C 11 68.400 68.400 68.108 0.292 25065 1772 1 8 . 1 1 11 11 THR H H 11 8.186 8.186 8.121 0.065 25065 1773 1 8 . 1 1 12 12 GLU HA H 12 3.576 3.576 3.857 -0.281 25065 1774 1 8 . 1 1 12 12 GLU CA C 12 60.604 60.604 59.412 1.192 25065 1775 1 8 . 1 1 12 12 GLU CB C 12 29.805 29.805 29.146 0.659 25065 1776 1 8 . 1 1 12 12 GLU H H 12 8.073 8.073 8.032 0.041 25065 1777 1 8 . 1 1 13 13 LYS HA H 13 3.888 3.888 3.992 -0.104 25065 1778 1 8 . 1 1 13 13 LYS CA C 13 60.352 60.352 59.516 0.836 25065 1779 1 8 . 1 1 13 13 LYS CB C 13 32.257 32.257 32.056 0.201 25065 1780 1 8 . 1 1 13 13 LYS H H 13 8.180 8.180 7.642 0.538 25065 1781 1 8 . 1 1 14 14 VAL HA H 14 3.777 3.777 3.900 -0.123 25065 1782 1 8 . 1 1 14 14 VAL CA C 14 66.089 66.089 65.052 1.037 25065 1783 1 8 . 1 1 14 14 VAL CB C 14 31.861 31.861 31.333 0.528 25065 1784 1 8 . 1 1 14 14 VAL H H 14 7.760 7.760 7.616 0.144 25065 1785 1 8 . 1 1 15 15 LEU HA H 15 3.972 3.972 4.097 -0.125 25065 1786 1 8 . 1 1 15 15 LEU CB C 15 42.097 42.097 41.512 0.585 25065 1787 1 8 . 1 1 15 15 LEU H H 15 8.326 8.326 7.810 0.516 25065 1788 1 8 . 1 1 16 16 CYS HA H 16 3.638 3.638 3.828 -0.190 25065 1789 1 8 . 1 1 16 16 CYS CA C 16 65.055 65.055 63.539 1.516 25065 1790 1 8 . 1 1 16 16 CYS CB C 16 26.610 26.610 26.128 0.482 25065 1791 1 8 . 1 1 16 16 CYS H H 16 8.531 8.531 8.594 -0.063 25065 1792 1 8 . 1 1 17 17 ALA HA H 17 4.203 4.203 4.030 0.173 25065 1793 1 8 . 1 1 17 17 ALA CA C 17 55.289 55.289 55.223 0.066 25065 1794 1 8 . 1 1 17 17 ALA CB C 17 17.539 17.539 18.136 -0.597 25065 1795 1 8 . 1 1 17 17 ALA H H 17 7.629 7.629 7.449 0.180 25065 1796 1 8 . 1 1 18 18 LEU HA H 18 4.226 4.226 4.169 0.057 25065 1797 1 8 . 1 1 18 18 LEU CA C 18 57.699 57.699 57.592 0.107 25065 1798 1 8 . 1 1 18 18 LEU CB C 18 42.382 42.382 40.827 1.555 25065 1799 1 8 . 1 1 18 18 LEU H H 18 8.673 8.673 8.251 0.422 25065 1800 1 8 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.276 -0.300 25065 1801 1 8 . 1 1 19 19 TYR CB C 19 39.575 39.575 37.275 2.300 25065 1802 1 8 . 1 1 19 19 TYR H H 19 9.180 9.180 8.536 0.644 25065 1803 1 8 . 1 1 20 20 ALA HA H 20 3.885 3.885 3.960 -0.075 25065 1804 1 8 . 1 1 20 20 ALA CA C 20 55.942 55.942 55.107 0.835 25065 1805 1 8 . 1 1 20 20 ALA CB C 20 17.847 17.847 18.056 -0.209 25065 1806 1 8 . 1 1 20 20 ALA H H 20 7.772 7.772 7.907 -0.135 25065 1807 1 8 . 1 1 21 21 GLU HA H 21 3.995 3.995 4.015 -0.020 25065 1808 1 8 . 1 1 21 21 GLU CA C 21 58.905 58.905 59.129 -0.224 25065 1809 1 8 . 1 1 21 21 GLU CB C 21 30.342 30.342 29.737 0.605 25065 1810 1 8 . 1 1 22 22 ILE HA H 22 3.917 3.917 3.929 -0.012 25065 1811 1 8 . 1 1 22 22 ILE CA C 22 61.642 61.642 63.519 -1.877 25065 1812 1 8 . 1 1 22 22 ILE CB C 22 37.107 37.107 38.384 -1.277 25065 1813 1 8 . 1 1 22 22 ILE H H 22 8.299 8.299 7.407 0.892 25065 1814 1 8 . 1 1 23 23 LEU HA H 23 4.134 4.134 4.259 -0.125 25065 1815 1 8 . 1 1 23 23 LEU CA C 23 55.302 55.302 55.237 0.065 25065 1816 1 8 . 1 1 23 23 LEU CB C 23 42.218 42.218 41.899 0.319 25065 1817 1 8 . 1 1 23 23 LEU H H 23 8.477 8.477 8.042 0.435 25065 1818 1 8 . 1 1 24 24 GLY CA C 24 46.801 46.801 45.620 1.181 25065 1819 1 8 . 1 1 24 24 GLY H H 24 7.853 7.853 8.176 -0.323 25065 1820 1 8 . 1 1 25 25 VAL HA H 25 4.590 4.590 4.479 0.111 25065 1821 1 8 . 1 1 25 25 VAL CB C 25 34.203 34.203 32.832 1.371 25065 1822 1 8 . 1 1 25 25 VAL H H 25 7.349 7.349 7.390 -0.041 25065 1823 1 8 . 1 1 26 26 GLU HA H 26 4.029 4.029 4.231 -0.202 25065 1824 1 8 . 1 1 26 26 GLU CA C 26 58.870 58.870 57.782 1.087 25065 1825 1 8 . 1 1 26 26 GLU CB C 26 30.613 30.613 30.168 0.445 25065 1826 1 8 . 1 1 26 26 GLU H H 26 8.416 8.416 8.617 -0.201 25065 1827 1 8 . 1 1 27 27 ARG HA H 27 4.464 4.464 4.543 -0.079 25065 1828 1 8 . 1 1 27 27 ARG CB C 27 32.007 32.007 32.666 -0.659 25065 1829 1 8 . 1 1 27 27 ARG H H 27 7.729 7.729 7.728 0.001 25065 1830 1 8 . 1 1 28 28 VAL HA H 28 4.077 4.077 4.506 -0.429 25065 1831 1 8 . 1 1 28 28 VAL CA C 28 61.719 61.719 61.008 0.711 25065 1832 1 8 . 1 1 28 28 VAL CB C 28 34.774 34.774 35.407 -0.633 25065 1833 1 8 . 1 1 28 28 VAL H H 28 8.344 8.344 8.355 -0.011 25065 1834 1 8 . 1 1 29 29 GLY H H 29 9.223 9.223 9.183 0.040 25065 1835 1 8 . 1 1 30 30 VAL HA H 30 3.581 3.581 3.982 -0.401 25065 1836 1 8 . 1 1 30 30 VAL CA C 30 64.307 64.307 63.525 0.782 25065 1837 1 8 . 1 1 30 30 VAL CB C 30 31.617 31.617 32.050 -0.433 25065 1838 1 8 . 1 1 30 30 VAL H H 30 8.155 8.155 8.488 -0.333 25065 1839 1 8 . 1 1 31 31 ASP HA H 31 5.041 5.041 4.675 0.366 25065 1840 1 8 . 1 1 31 31 ASP CB C 31 41.177 41.177 40.324 0.853 25065 1841 1 8 . 1 1 31 31 ASP H H 31 8.149 8.149 8.311 -0.162 25065 1842 1 8 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.551 0.071 25065 1843 1 8 . 1 1 32 32 ASP CB C 32 41.799 41.799 41.259 0.540 25065 1844 1 8 . 1 1 32 32 ASP H H 32 7.289 7.289 7.429 -0.140 25065 1845 1 8 . 1 1 33 33 ALA HA H 33 4.093 4.093 4.584 -0.491 25065 1846 1 8 . 1 1 33 33 ALA CA C 33 51.549 51.549 51.262 0.287 25065 1847 1 8 . 1 1 33 33 ALA CB C 33 19.554 19.554 20.304 -0.750 25065 1848 1 8 . 1 1 33 33 ALA H H 33 8.885 8.885 8.533 0.352 25065 1849 1 8 . 1 1 34 34 PHE HA H 34 3.956 3.956 3.954 0.002 25065 1850 1 8 . 1 1 34 34 PHE CA C 34 62.655 62.655 62.227 0.428 25065 1851 1 8 . 1 1 34 34 PHE CB C 34 40.196 40.196 38.984 1.212 25065 1852 1 8 . 1 1 34 34 PHE H H 34 8.409 8.409 8.429 -0.020 25065 1853 1 8 . 1 1 36 36 ASP HA H 36 4.494 4.494 4.501 -0.007 25065 1854 1 8 . 1 1 36 36 ASP CB C 36 40.185 40.185 40.453 -0.268 25065 1855 1 8 . 1 1 37 37 LEU HA H 37 4.347 4.347 4.232 0.115 25065 1856 1 8 . 1 1 37 37 LEU CB C 37 43.535 43.535 41.976 1.559 25065 1857 1 8 . 1 1 37 37 LEU H H 37 7.059 7.059 7.559 -0.500 25065 1858 1 8 . 1 1 38 38 GLY CA C 38 44.575 44.575 44.655 -0.080 25065 1859 1 8 . 1 1 38 38 GLY H H 38 7.451 7.451 7.676 -0.225 25065 1860 1 8 . 1 1 39 39 GLY CA C 39 46.469 46.469 44.495 1.974 25065 1861 1 8 . 1 1 39 39 GLY H H 39 7.624 7.624 7.567 0.057 25065 1862 1 8 . 1 1 40 40 SER HA H 40 4.936 4.936 5.047 -0.111 25065 1863 1 8 . 1 1 40 40 SER CB C 40 66.690 66.690 65.176 1.514 25065 1864 1 8 . 1 1 40 40 SER H H 40 6.796 6.796 8.257 -1.461 25065 1865 1 8 . 1 1 42 42 ALA HA H 42 4.194 4.194 4.171 0.023 25065 1866 1 8 . 1 1 42 42 ALA CB C 42 18.306 18.306 18.703 -0.397 25065 1867 1 8 . 1 1 43 43 LEU HA H 43 4.163 4.163 4.211 -0.048 25065 1868 1 8 . 1 1 43 43 LEU CB C 43 41.833 41.833 41.753 0.080 25065 1869 1 8 . 1 1 44 44 ALA HA H 44 3.612 3.612 3.193 0.419 25065 1870 1 8 . 1 1 44 44 ALA CA C 44 54.838 54.838 54.648 0.190 25065 1871 1 8 . 1 1 44 44 ALA CB C 44 18.153 18.153 17.724 0.429 25065 1872 1 8 . 1 1 44 44 ALA H H 44 8.864 8.864 8.453 0.411 25065 1873 1 8 . 1 1 45 45 MET HA H 45 4.200 4.200 3.948 0.252 25065 1874 1 8 . 1 1 45 45 MET CA C 45 58.019 58.019 59.336 -1.317 25065 1875 1 8 . 1 1 45 45 MET CB C 45 31.141 31.141 32.356 -1.215 25065 1876 1 8 . 1 1 45 45 MET H H 45 7.669 7.669 7.651 0.018 25065 1877 1 8 . 1 1 46 46 ARG HA H 46 4.187 4.187 4.097 0.090 25065 1878 1 8 . 1 1 46 46 ARG CB C 46 29.748 29.748 29.709 0.039 25065 1879 1 8 . 1 1 46 46 ARG H H 46 7.239 7.239 7.669 -0.430 25065 1880 1 8 . 1 1 47 47 LEU HA H 47 3.914 3.914 4.082 -0.168 25065 1881 1 8 . 1 1 47 47 LEU CB C 47 41.255 41.255 41.445 -0.190 25065 1882 1 8 . 1 1 47 47 LEU H H 47 8.227 8.227 7.438 0.789 25065 1883 1 8 . 1 1 48 48 ILE HA H 48 3.552 3.552 3.471 0.081 25065 1884 1 8 . 1 1 48 48 ILE CA C 48 65.226 65.226 65.725 -0.499 25065 1885 1 8 . 1 1 48 48 ILE CB C 48 37.672 37.672 37.307 0.365 25065 1886 1 8 . 1 1 48 48 ILE H H 48 8.534 8.534 7.793 0.741 25065 1887 1 8 . 1 1 49 49 ALA HA H 49 4.199 4.199 3.975 0.224 25065 1888 1 8 . 1 1 49 49 ALA CB C 49 17.884 17.884 18.322 -0.438 25065 1889 1 8 . 1 1 49 49 ALA H H 49 7.620 7.620 7.571 0.049 25065 1890 1 8 . 1 1 50 50 ARG HA H 50 4.240 4.240 4.114 0.126 25065 1891 1 8 . 1 1 50 50 ARG H H 50 7.973 7.973 7.995 -0.022 25065 1892 1 8 . 1 1 51 51 ILE HA H 51 3.368 3.368 3.714 -0.346 25065 1893 1 8 . 1 1 51 51 ILE CA C 51 66.422 66.422 65.465 0.957 25065 1894 1 8 . 1 1 51 51 ILE CB C 51 37.825 37.825 37.587 0.238 25065 1895 1 8 . 1 1 51 51 ILE H H 51 8.862 8.862 8.524 0.338 25065 1896 1 8 . 1 1 52 52 ARG HA H 52 4.061 4.061 4.285 -0.224 25065 1897 1 8 . 1 1 52 52 ARG CA C 52 59.614 59.614 58.913 0.702 25065 1898 1 8 . 1 1 52 52 ARG CB C 52 29.519 29.519 29.620 -0.101 25065 1899 1 8 . 1 1 52 52 ARG H H 52 7.861 7.861 8.216 -0.355 25065 1900 1 8 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.127 -0.158 25065 1901 1 8 . 1 1 53 53 GLU CA C 53 59.311 59.311 59.127 0.184 25065 1902 1 8 . 1 1 53 53 GLU CB C 53 30.277 30.277 29.436 0.841 25065 1903 1 8 . 1 1 53 53 GLU H H 53 7.847 7.847 8.280 -0.433 25065 1904 1 8 . 1 1 54 54 GLU HA H 54 4.338 4.338 4.236 0.102 25065 1905 1 8 . 1 1 54 54 GLU CB C 54 30.642 30.642 30.544 0.098 25065 1906 1 8 . 1 1 54 54 GLU H H 54 8.514 8.514 8.067 0.447 25065 1907 1 8 . 1 1 55 55 LEU HA H 55 4.680 4.680 4.559 0.121 25065 1908 1 8 . 1 1 55 55 LEU CB C 55 43.328 43.328 42.881 0.447 25065 1909 1 8 . 1 1 55 55 LEU H H 55 8.658 8.658 8.305 0.353 25065 1910 1 8 . 1 1 56 56 GLY CA C 56 46.596 46.596 45.980 0.616 25065 1911 1 8 . 1 1 56 56 GLY H H 56 7.693 7.693 8.063 -0.370 25065 1912 1 8 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.433 -0.016 25065 1913 1 8 . 1 1 57 57 VAL CB C 57 35.473 35.473 33.587 1.886 25065 1914 1 8 . 1 1 57 57 VAL H H 57 6.534 6.534 7.221 -0.687 25065 1915 1 8 . 1 1 58 58 ASP HA H 58 4.675 4.675 4.612 0.063 25065 1916 1 8 . 1 1 58 58 ASP CB C 58 41.821 41.821 41.878 -0.057 25065 1917 1 8 . 1 1 58 58 ASP H H 58 8.555 8.555 8.654 -0.099 25065 1918 1 8 . 1 1 59 59 LEU HA H 59 4.537 4.537 4.828 -0.291 25065 1919 1 8 . 1 1 59 59 LEU CB C 59 44.310 44.310 44.054 0.256 25065 1920 1 8 . 1 1 59 59 LEU H H 59 8.395 8.395 8.094 0.301 25065 1921 1 8 . 1 1 60 60 PRO HA H 60 4.418 4.418 4.616 -0.198 25065 1922 1 8 . 1 1 60 60 PRO CB C 60 32.391 32.391 32.865 -0.474 25065 1923 1 8 . 1 1 61 61 ILE HA H 61 3.635 3.635 3.809 -0.174 25065 1924 1 8 . 1 1 61 61 ILE CB C 61 37.572 37.572 38.274 -0.702 25065 1925 1 8 . 1 1 61 61 ILE H H 61 8.748 8.748 8.557 0.191 25065 1926 1 8 . 1 1 62 62 ARG HA H 62 3.995 3.995 4.029 -0.034 25065 1927 1 8 . 1 1 62 62 ARG CB C 62 29.519 29.519 29.704 -0.185 25065 1928 1 8 . 1 1 62 62 ARG H H 62 8.419 8.419 8.525 -0.106 25065 1929 1 8 . 1 1 63 63 GLN HA H 63 4.027 4.027 4.180 -0.153 25065 1930 1 8 . 1 1 63 63 GLN CB C 63 28.519 28.519 28.554 -0.035 25065 1931 1 8 . 1 1 63 63 GLN H H 63 7.443 7.443 7.782 -0.339 25065 1932 1 8 . 1 1 64 64 LEU HA H 64 3.834 3.834 3.995 -0.161 25065 1933 1 8 . 1 1 64 64 LEU CB C 64 40.786 40.786 42.058 -1.272 25065 1934 1 8 . 1 1 64 64 LEU H H 64 7.261 7.261 7.664 -0.403 25065 1935 1 8 . 1 1 65 65 PHE CB C 65 38.158 38.158 39.044 -0.886 25065 1936 1 8 . 1 1 65 65 PHE H H 65 7.405 7.405 8.288 -0.883 25065 1937 1 8 . 1 1 66 66 SER HA H 66 4.368 4.368 4.587 -0.219 25065 1938 1 8 . 1 1 66 66 SER CB C 66 63.456 63.456 63.849 -0.393 25065 1939 1 8 . 1 1 67 67 SER HA H 67 4.801 4.801 4.855 -0.054 25065 1940 1 8 . 1 1 67 67 SER CB C 67 64.236 64.236 64.130 0.105 25065 1941 1 8 . 1 1 67 67 SER H H 67 7.679 7.679 7.470 0.209 25065 1942 1 8 . 1 1 68 68 PRO HA H 68 4.982 4.982 4.718 0.264 25065 1943 1 8 . 1 1 68 68 PRO CB C 68 32.626 32.626 32.219 0.407 25065 1944 1 8 . 1 1 69 69 THR HA H 69 5.519 5.519 5.268 0.251 25065 1945 1 8 . 1 1 69 69 THR CA C 69 58.316 58.316 59.170 -0.855 25065 1946 1 8 . 1 1 69 69 THR H H 69 8.253 8.253 7.732 0.521 25065 1947 1 8 . 1 1 70 70 PRO HA H 70 3.787 3.787 4.052 -0.265 25065 1948 1 8 . 1 1 70 70 PRO CA C 70 65.995 65.995 65.736 0.259 25065 1949 1 8 . 1 1 70 70 PRO CB C 70 32.865 32.865 31.320 1.544 25065 1950 1 8 . 1 1 71 71 ALA HA H 71 4.122 4.122 4.289 -0.167 25065 1951 1 8 . 1 1 71 71 ALA CA C 71 55.368 55.368 54.352 1.016 25065 1952 1 8 . 1 1 71 71 ALA CB C 71 18.613 18.613 18.260 0.353 25065 1953 1 8 . 1 1 71 71 ALA H H 71 8.775 8.775 7.921 0.854 25065 1954 1 8 . 1 1 72 72 GLY H H 72 8.186 8.186 7.401 0.785 25065 1955 1 8 . 1 1 73 73 VAL HA H 73 3.565 3.565 3.668 -0.103 25065 1956 1 8 . 1 1 73 73 VAL CA C 73 66.671 66.671 65.912 0.759 25065 1957 1 8 . 1 1 73 73 VAL CB C 73 31.440 31.440 30.984 0.456 25065 1958 1 8 . 1 1 73 73 VAL H H 73 9.142 9.142 8.043 1.099 25065 1959 1 8 . 1 1 74 74 ALA HA H 74 3.772 3.772 3.986 -0.214 25065 1960 1 8 . 1 1 74 74 ALA CA C 74 55.788 55.788 55.526 0.262 25065 1961 1 8 . 1 1 74 74 ALA CB C 74 18.080 18.080 18.370 -0.290 25065 1962 1 8 . 1 1 74 74 ALA H H 74 8.659 8.659 8.428 0.231 25065 1963 1 8 . 1 1 75 75 ARG HA H 75 4.043 4.043 4.064 -0.021 25065 1964 1 8 . 1 1 75 75 ARG CA C 75 59.563 59.563 58.802 0.761 25065 1965 1 8 . 1 1 75 75 ARG CB C 75 30.311 30.311 30.001 0.310 25065 1966 1 8 . 1 1 75 75 ARG H H 75 7.694 7.694 7.539 0.155 25065 1967 1 8 . 1 1 76 76 ALA HA H 76 4.153 4.153 4.077 0.076 25065 1968 1 8 . 1 1 76 76 ALA CA C 76 54.796 54.796 55.011 -0.215 25065 1969 1 8 . 1 1 76 76 ALA CB C 76 17.493 17.493 18.439 -0.947 25065 1970 1 8 . 1 1 76 76 ALA H H 76 7.877 7.877 7.896 -0.019 25065 1971 1 8 . 1 1 77 77 LEU HA H 77 3.974 3.974 3.933 0.041 25065 1972 1 8 . 1 1 77 77 LEU H H 77 8.484 8.484 8.253 0.231 25065 1973 1 8 . 1 1 78 78 ALA HA H 78 4.192 4.192 3.955 0.237 25065 1974 1 8 . 1 1 78 78 ALA CB C 78 18.191 18.191 17.998 0.193 25065 1975 1 8 . 1 1 79 79 ALA HA H 79 4.193 4.193 4.064 0.129 25065 1976 1 8 . 1 1 79 79 ALA CA C 79 53.313 53.313 54.774 -1.461 25065 1977 1 8 . 1 1 79 79 ALA CB C 79 18.379 18.379 18.229 0.150 25065 1978 1 8 . 1 1 79 79 ALA H H 79 7.624 7.624 8.035 -0.411 25065 1979 1 8 . 1 1 80 80 LYS HA H 80 4.241 4.241 4.071 0.170 25065 1980 1 8 . 1 1 80 80 LYS CA C 80 56.363 56.363 58.959 -2.596 25065 1981 1 8 . 1 1 80 80 LYS CB C 80 32.340 32.340 32.373 -0.033 25065 1982 1 8 . 1 1 80 80 LYS H H 80 7.759 7.759 7.798 -0.039 25065 1983 1 8 . 1 1 81 81 SER H H 81 7.888 7.888 8.007 -0.119 25065 1984 1 8 . 1 1 83 83 SER HA H 83 4.323 4.323 4.718 -0.395 25065 1985 1 8 . 1 1 83 83 SER CA C 83 58.644 58.644 57.519 1.125 25065 1986 1 8 . 1 1 83 83 SER CB C 83 63.434 63.434 63.922 -0.489 25065 1987 1 8 . 1 1 84 84 TRP HA H 84 4.645 4.645 4.503 0.142 25065 1988 1 8 . 1 1 84 84 TRP CB C 84 29.473 29.473 29.868 -0.395 25065 1989 1 8 . 1 1 85 85 SER HA H 85 4.314 4.314 4.211 0.103 25065 1990 1 8 . 1 1 85 85 SER CB C 85 63.726 63.726 64.148 -0.422 25065 1991 1 8 . 1 1 87 87 PRO HA H 87 4.323 4.323 4.170 0.153 25065 1992 1 8 . 1 1 87 87 PRO CB C 87 31.915 31.915 32.133 -0.218 25065 1993 1 8 . 1 1 88 88 GLN HA H 88 4.242 4.242 4.233 0.009 25065 1994 1 8 . 1 1 88 88 GLN CA C 88 55.771 55.771 55.177 0.594 25065 1995 1 8 . 1 1 88 88 GLN CB C 88 29.293 29.293 29.967 -0.674 25065 1996 1 8 . 1 1 89 89 PHE HA H 89 4.650 4.650 4.771 -0.121 25065 1997 1 8 . 1 1 89 89 PHE CB C 89 39.577 39.577 42.119 -2.542 25065 1998 1 8 . 1 1 90 90 GLU HA H 90 4.241 4.241 4.689 -0.448 25065 1999 1 8 . 1 1 90 90 GLU CA C 90 56.363 56.363 55.234 1.129 25065 2000 1 8 . 1 1 90 90 GLU CB C 90 30.354 30.354 32.379 -2.025 25065 2001 1 9 . 1 1 3 3 MET HA H 3 4.414 4.414 4.671 -0.257 25065 2002 1 9 . 1 1 3 3 MET H H 3 8.447 8.447 8.516 -0.069 25065 2003 1 9 . 1 1 5 5 LYS HA H 5 4.253 4.253 4.508 -0.255 25065 2004 1 9 . 1 1 5 5 LYS CA C 5 55.810 55.810 55.642 0.168 25065 2005 1 9 . 1 1 6 6 ALA HA H 6 4.551 4.551 4.746 -0.195 25065 2006 1 9 . 1 1 6 6 ALA CB C 6 17.947 17.947 20.345 -2.398 25065 2007 1 9 . 1 1 6 6 ALA H H 6 8.400 8.400 8.258 0.142 25065 2008 1 9 . 1 1 7 7 PRO HA H 7 4.318 4.318 4.428 -0.110 25065 2009 1 9 . 1 1 7 7 PRO CB C 7 31.974 31.974 32.611 -0.637 25065 2010 1 9 . 1 1 8 8 GLU HA H 8 4.366 4.366 4.404 -0.038 25065 2011 1 9 . 1 1 8 8 GLU CB C 8 30.764 30.764 30.704 0.060 25065 2012 1 9 . 1 1 8 8 GLU H H 8 8.738 8.738 9.284 -0.546 25065 2013 1 9 . 1 1 9 9 SER HA H 9 4.521 4.521 4.622 -0.101 25065 2014 1 9 . 1 1 9 9 SER CB C 9 65.043 65.043 64.670 0.373 25065 2015 1 9 . 1 1 9 9 SER H H 9 8.724 8.724 8.277 0.447 25065 2016 1 9 . 1 1 10 10 ALA HA H 10 4.082 4.082 4.062 0.020 25065 2017 1 9 . 1 1 10 10 ALA CB C 10 18.166 18.166 18.157 0.009 25065 2018 1 9 . 1 1 10 10 ALA H H 10 8.547 8.547 8.723 -0.176 25065 2019 1 9 . 1 1 11 11 THR HA H 11 3.809 3.809 3.995 -0.186 25065 2020 1 9 . 1 1 11 11 THR CA C 11 66.711 66.711 65.520 1.191 25065 2021 1 9 . 1 1 11 11 THR CB C 11 68.400 68.400 68.458 -0.058 25065 2022 1 9 . 1 1 11 11 THR H H 11 8.186 8.186 8.111 0.075 25065 2023 1 9 . 1 1 12 12 GLU HA H 12 3.576 3.576 3.960 -0.384 25065 2024 1 9 . 1 1 12 12 GLU CA C 12 60.604 60.604 59.028 1.576 25065 2025 1 9 . 1 1 12 12 GLU CB C 12 29.805 29.805 29.258 0.547 25065 2026 1 9 . 1 1 12 12 GLU H H 12 8.073 8.073 7.918 0.155 25065 2027 1 9 . 1 1 13 13 LYS HA H 13 3.888 3.888 4.042 -0.154 25065 2028 1 9 . 1 1 13 13 LYS CA C 13 60.352 60.352 59.517 0.836 25065 2029 1 9 . 1 1 13 13 LYS CB C 13 32.257 32.257 32.066 0.191 25065 2030 1 9 . 1 1 13 13 LYS H H 13 8.180 8.180 7.689 0.491 25065 2031 1 9 . 1 1 14 14 VAL HA H 14 3.777 3.777 3.835 -0.058 25065 2032 1 9 . 1 1 14 14 VAL CA C 14 66.089 66.089 65.290 0.799 25065 2033 1 9 . 1 1 14 14 VAL CB C 14 31.861 31.861 31.605 0.257 25065 2034 1 9 . 1 1 14 14 VAL H H 14 7.760 7.760 7.463 0.297 25065 2035 1 9 . 1 1 15 15 LEU HA H 15 3.972 3.972 4.103 -0.131 25065 2036 1 9 . 1 1 15 15 LEU CB C 15 42.097 42.097 41.315 0.783 25065 2037 1 9 . 1 1 15 15 LEU H H 15 8.326 8.326 7.863 0.463 25065 2038 1 9 . 1 1 16 16 CYS HA H 16 3.638 3.638 3.815 -0.177 25065 2039 1 9 . 1 1 16 16 CYS CA C 16 65.055 65.055 62.103 2.952 25065 2040 1 9 . 1 1 16 16 CYS CB C 16 26.610 26.610 26.042 0.568 25065 2041 1 9 . 1 1 16 16 CYS H H 16 8.531 8.531 8.409 0.122 25065 2042 1 9 . 1 1 17 17 ALA HA H 17 4.203 4.203 4.148 0.055 25065 2043 1 9 . 1 1 17 17 ALA CA C 17 55.289 55.289 55.252 0.037 25065 2044 1 9 . 1 1 17 17 ALA CB C 17 17.539 17.539 18.215 -0.676 25065 2045 1 9 . 1 1 17 17 ALA H H 17 7.629 7.629 7.674 -0.045 25065 2046 1 9 . 1 1 18 18 LEU HA H 18 4.226 4.226 4.107 0.119 25065 2047 1 9 . 1 1 18 18 LEU CA C 18 57.699 57.699 57.995 -0.296 25065 2048 1 9 . 1 1 18 18 LEU CB C 18 42.382 42.382 40.917 1.465 25065 2049 1 9 . 1 1 18 18 LEU H H 18 8.673 8.673 8.006 0.667 25065 2050 1 9 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.286 -0.310 25065 2051 1 9 . 1 1 19 19 TYR CB C 19 39.575 39.575 37.397 2.178 25065 2052 1 9 . 1 1 19 19 TYR H H 19 9.180 9.180 8.341 0.839 25065 2053 1 9 . 1 1 20 20 ALA HA H 20 3.885 3.885 3.963 -0.078 25065 2054 1 9 . 1 1 20 20 ALA CA C 20 55.942 55.942 55.256 0.686 25065 2055 1 9 . 1 1 20 20 ALA CB C 20 17.847 17.847 18.083 -0.236 25065 2056 1 9 . 1 1 20 20 ALA H H 20 7.772 7.772 7.992 -0.220 25065 2057 1 9 . 1 1 21 21 GLU HA H 21 3.995 3.995 4.085 -0.090 25065 2058 1 9 . 1 1 21 21 GLU CA C 21 58.905 58.905 59.075 -0.170 25065 2059 1 9 . 1 1 21 21 GLU CB C 21 30.342 30.342 29.668 0.674 25065 2060 1 9 . 1 1 22 22 ILE HA H 22 3.917 3.917 3.952 -0.035 25065 2061 1 9 . 1 1 22 22 ILE CA C 22 61.642 61.642 63.473 -1.831 25065 2062 1 9 . 1 1 22 22 ILE CB C 22 37.107 37.107 38.349 -1.242 25065 2063 1 9 . 1 1 22 22 ILE H H 22 8.299 8.299 7.379 0.920 25065 2064 1 9 . 1 1 23 23 LEU HA H 23 4.134 4.134 4.320 -0.186 25065 2065 1 9 . 1 1 23 23 LEU CA C 23 55.302 55.302 55.131 0.171 25065 2066 1 9 . 1 1 23 23 LEU CB C 23 42.218 42.218 42.099 0.118 25065 2067 1 9 . 1 1 23 23 LEU H H 23 8.477 8.477 7.854 0.623 25065 2068 1 9 . 1 1 24 24 GLY CA C 24 46.801 46.801 45.719 1.082 25065 2069 1 9 . 1 1 24 24 GLY H H 24 7.853 7.853 8.210 -0.357 25065 2070 1 9 . 1 1 25 25 VAL HA H 25 4.590 4.590 4.476 0.114 25065 2071 1 9 . 1 1 25 25 VAL CB C 25 34.203 34.203 33.492 0.711 25065 2072 1 9 . 1 1 25 25 VAL H H 25 7.349 7.349 7.291 0.058 25065 2073 1 9 . 1 1 26 26 GLU HA H 26 4.029 4.029 4.167 -0.138 25065 2074 1 9 . 1 1 26 26 GLU CA C 26 58.870 58.870 57.870 1.000 25065 2075 1 9 . 1 1 26 26 GLU CB C 26 30.613 30.613 30.100 0.513 25065 2076 1 9 . 1 1 26 26 GLU H H 26 8.416 8.416 8.596 -0.180 25065 2077 1 9 . 1 1 27 27 ARG HA H 27 4.464 4.464 4.431 0.033 25065 2078 1 9 . 1 1 27 27 ARG CB C 27 32.007 32.007 32.630 -0.623 25065 2079 1 9 . 1 1 27 27 ARG H H 27 7.729 7.729 7.555 0.174 25065 2080 1 9 . 1 1 28 28 VAL HA H 28 4.077 4.077 4.533 -0.456 25065 2081 1 9 . 1 1 28 28 VAL CA C 28 61.719 61.719 60.466 1.253 25065 2082 1 9 . 1 1 28 28 VAL CB C 28 34.774 34.774 35.091 -0.317 25065 2083 1 9 . 1 1 28 28 VAL H H 28 8.344 8.344 8.481 -0.137 25065 2084 1 9 . 1 1 29 29 GLY H H 29 9.223 9.223 8.942 0.281 25065 2085 1 9 . 1 1 30 30 VAL HA H 30 3.581 3.581 3.728 -0.147 25065 2086 1 9 . 1 1 30 30 VAL CA C 30 64.307 64.307 64.261 0.046 25065 2087 1 9 . 1 1 30 30 VAL CB C 30 31.617 31.617 31.785 -0.168 25065 2088 1 9 . 1 1 30 30 VAL H H 30 8.155 8.155 8.375 -0.220 25065 2089 1 9 . 1 1 31 31 ASP HA H 31 5.041 5.041 4.704 0.337 25065 2090 1 9 . 1 1 31 31 ASP CB C 31 41.177 41.177 41.275 -0.098 25065 2091 1 9 . 1 1 31 31 ASP H H 31 8.149 8.149 8.104 0.045 25065 2092 1 9 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.671 -0.049 25065 2093 1 9 . 1 1 32 32 ASP CB C 32 41.799 41.799 41.259 0.540 25065 2094 1 9 . 1 1 32 32 ASP H H 32 7.289 7.289 7.682 -0.393 25065 2095 1 9 . 1 1 33 33 ALA HA H 33 4.093 4.093 4.455 -0.362 25065 2096 1 9 . 1 1 33 33 ALA CA C 33 51.549 51.549 51.726 -0.177 25065 2097 1 9 . 1 1 33 33 ALA CB C 33 19.554 19.554 19.936 -0.382 25065 2098 1 9 . 1 1 33 33 ALA H H 33 8.885 8.885 8.656 0.229 25065 2099 1 9 . 1 1 34 34 PHE HA H 34 3.956 3.956 4.010 -0.054 25065 2100 1 9 . 1 1 34 34 PHE CA C 34 62.655 62.655 62.318 0.337 25065 2101 1 9 . 1 1 34 34 PHE CB C 34 40.196 40.196 39.045 1.151 25065 2102 1 9 . 1 1 34 34 PHE H H 34 8.409 8.409 8.455 -0.046 25065 2103 1 9 . 1 1 36 36 ASP HA H 36 4.494 4.494 4.513 -0.019 25065 2104 1 9 . 1 1 36 36 ASP CB C 36 40.185 40.185 40.777 -0.592 25065 2105 1 9 . 1 1 37 37 LEU HA H 37 4.347 4.347 4.249 0.098 25065 2106 1 9 . 1 1 37 37 LEU CB C 37 43.535 43.535 42.210 1.325 25065 2107 1 9 . 1 1 37 37 LEU H H 37 7.059 7.059 7.429 -0.370 25065 2108 1 9 . 1 1 38 38 GLY CA C 38 44.575 44.575 44.946 -0.371 25065 2109 1 9 . 1 1 38 38 GLY H H 38 7.451 7.451 7.469 -0.018 25065 2110 1 9 . 1 1 39 39 GLY CA C 39 46.469 46.469 44.420 2.049 25065 2111 1 9 . 1 1 39 39 GLY H H 39 7.624 7.624 7.443 0.181 25065 2112 1 9 . 1 1 40 40 SER HA H 40 4.936 4.936 4.613 0.323 25065 2113 1 9 . 1 1 40 40 SER CB C 40 66.690 66.690 65.501 1.189 25065 2114 1 9 . 1 1 40 40 SER H H 40 6.796 6.796 7.980 -1.184 25065 2115 1 9 . 1 1 42 42 ALA HA H 42 4.194 4.194 4.190 0.004 25065 2116 1 9 . 1 1 42 42 ALA CB C 42 18.306 18.306 18.343 -0.037 25065 2117 1 9 . 1 1 43 43 LEU HA H 43 4.163 4.163 4.045 0.118 25065 2118 1 9 . 1 1 43 43 LEU CB C 43 41.833 41.833 41.697 0.136 25065 2119 1 9 . 1 1 44 44 ALA HA H 44 3.612 3.612 3.288 0.324 25065 2120 1 9 . 1 1 44 44 ALA CA C 44 54.838 54.838 54.825 0.013 25065 2121 1 9 . 1 1 44 44 ALA CB C 44 18.153 18.153 17.902 0.251 25065 2122 1 9 . 1 1 44 44 ALA H H 44 8.864 8.864 8.213 0.651 25065 2123 1 9 . 1 1 45 45 MET HA H 45 4.200 4.200 4.061 0.139 25065 2124 1 9 . 1 1 45 45 MET CA C 45 58.019 58.019 59.096 -1.077 25065 2125 1 9 . 1 1 45 45 MET CB C 45 31.141 31.141 32.371 -1.230 25065 2126 1 9 . 1 1 45 45 MET H H 45 7.669 7.669 7.594 0.075 25065 2127 1 9 . 1 1 46 46 ARG HA H 46 4.187 4.187 4.130 0.057 25065 2128 1 9 . 1 1 46 46 ARG CB C 46 29.748 29.748 29.249 0.499 25065 2129 1 9 . 1 1 46 46 ARG H H 46 7.239 7.239 7.240 -0.001 25065 2130 1 9 . 1 1 47 47 LEU HA H 47 3.914 3.914 4.069 -0.155 25065 2131 1 9 . 1 1 47 47 LEU CB C 47 41.255 41.255 41.348 -0.093 25065 2132 1 9 . 1 1 47 47 LEU H H 47 8.227 8.227 8.046 0.181 25065 2133 1 9 . 1 1 48 48 ILE HA H 48 3.552 3.552 3.664 -0.112 25065 2134 1 9 . 1 1 48 48 ILE CA C 48 65.226 65.226 63.374 1.852 25065 2135 1 9 . 1 1 48 48 ILE CB C 48 37.672 37.672 35.920 1.752 25065 2136 1 9 . 1 1 48 48 ILE H H 48 8.534 8.534 7.364 1.170 25065 2137 1 9 . 1 1 49 49 ALA HA H 49 4.199 4.199 3.940 0.259 25065 2138 1 9 . 1 1 49 49 ALA CB C 49 17.884 17.884 18.506 -0.622 25065 2139 1 9 . 1 1 49 49 ALA H H 49 7.620 7.620 7.560 0.060 25065 2140 1 9 . 1 1 50 50 ARG HA H 50 4.240 4.240 4.101 0.139 25065 2141 1 9 . 1 1 50 50 ARG H H 50 7.973 7.973 8.167 -0.194 25065 2142 1 9 . 1 1 51 51 ILE HA H 51 3.368 3.368 3.711 -0.343 25065 2143 1 9 . 1 1 51 51 ILE CA C 51 66.422 66.422 65.518 0.904 25065 2144 1 9 . 1 1 51 51 ILE CB C 51 37.825 37.825 37.653 0.172 25065 2145 1 9 . 1 1 51 51 ILE H H 51 8.862 8.862 8.601 0.261 25065 2146 1 9 . 1 1 52 52 ARG HA H 52 4.061 4.061 4.260 -0.199 25065 2147 1 9 . 1 1 52 52 ARG CA C 52 59.614 59.614 58.786 0.828 25065 2148 1 9 . 1 1 52 52 ARG CB C 52 29.519 29.519 29.695 -0.176 25065 2149 1 9 . 1 1 52 52 ARG H H 52 7.861 7.861 7.742 0.118 25065 2150 1 9 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.181 -0.212 25065 2151 1 9 . 1 1 53 53 GLU CA C 53 59.311 59.311 58.751 0.560 25065 2152 1 9 . 1 1 53 53 GLU CB C 53 30.277 30.277 29.590 0.687 25065 2153 1 9 . 1 1 53 53 GLU H H 53 7.847 7.847 8.061 -0.214 25065 2154 1 9 . 1 1 54 54 GLU HA H 54 4.338 4.338 4.345 -0.007 25065 2155 1 9 . 1 1 54 54 GLU CB C 54 30.642 30.642 30.626 0.016 25065 2156 1 9 . 1 1 54 54 GLU H H 54 8.514 8.514 8.268 0.246 25065 2157 1 9 . 1 1 55 55 LEU HA H 55 4.680 4.680 4.569 0.111 25065 2158 1 9 . 1 1 55 55 LEU CB C 55 43.328 43.328 42.972 0.356 25065 2159 1 9 . 1 1 55 55 LEU H H 55 8.658 8.658 8.290 0.368 25065 2160 1 9 . 1 1 56 56 GLY CA C 56 46.596 46.596 45.732 0.864 25065 2161 1 9 . 1 1 56 56 GLY H H 56 7.693 7.693 7.892 -0.199 25065 2162 1 9 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.469 -0.052 25065 2163 1 9 . 1 1 57 57 VAL CB C 57 35.473 35.473 33.816 1.657 25065 2164 1 9 . 1 1 57 57 VAL H H 57 6.534 6.534 7.183 -0.649 25065 2165 1 9 . 1 1 58 58 ASP HA H 58 4.675 4.675 4.780 -0.105 25065 2166 1 9 . 1 1 58 58 ASP CB C 58 41.821 41.821 40.501 1.320 25065 2167 1 9 . 1 1 58 58 ASP H H 58 8.555 8.555 8.579 -0.024 25065 2168 1 9 . 1 1 59 59 LEU HA H 59 4.537 4.537 4.857 -0.320 25065 2169 1 9 . 1 1 59 59 LEU CB C 59 44.310 44.310 43.386 0.924 25065 2170 1 9 . 1 1 59 59 LEU H H 59 8.395 8.395 7.984 0.411 25065 2171 1 9 . 1 1 60 60 PRO HA H 60 4.418 4.418 4.692 -0.274 25065 2172 1 9 . 1 1 60 60 PRO CB C 60 32.391 32.391 33.090 -0.699 25065 2173 1 9 . 1 1 61 61 ILE HA H 61 3.635 3.635 3.818 -0.183 25065 2174 1 9 . 1 1 61 61 ILE CB C 61 37.572 37.572 38.138 -0.566 25065 2175 1 9 . 1 1 61 61 ILE H H 61 8.748 8.748 8.594 0.154 25065 2176 1 9 . 1 1 62 62 ARG HA H 62 3.995 3.995 3.897 0.098 25065 2177 1 9 . 1 1 62 62 ARG CB C 62 29.519 29.519 29.732 -0.213 25065 2178 1 9 . 1 1 62 62 ARG H H 62 8.419 8.419 8.353 0.066 25065 2179 1 9 . 1 1 63 63 GLN HA H 63 4.027 4.027 4.163 -0.136 25065 2180 1 9 . 1 1 63 63 GLN CB C 63 28.519 28.519 28.922 -0.403 25065 2181 1 9 . 1 1 63 63 GLN H H 63 7.443 7.443 7.725 -0.282 25065 2182 1 9 . 1 1 64 64 LEU HA H 64 3.834 3.834 4.021 -0.187 25065 2183 1 9 . 1 1 64 64 LEU CB C 64 40.786 40.786 41.998 -1.212 25065 2184 1 9 . 1 1 64 64 LEU H H 64 7.261 7.261 7.741 -0.480 25065 2185 1 9 . 1 1 65 65 PHE CB C 65 38.158 38.158 38.962 -0.804 25065 2186 1 9 . 1 1 65 65 PHE H H 65 7.405 7.405 8.224 -0.819 25065 2187 1 9 . 1 1 66 66 SER HA H 66 4.368 4.368 4.601 -0.233 25065 2188 1 9 . 1 1 66 66 SER CB C 66 63.456 63.456 64.079 -0.623 25065 2189 1 9 . 1 1 67 67 SER HA H 67 4.801 4.801 4.993 -0.192 25065 2190 1 9 . 1 1 67 67 SER CB C 67 64.236 64.236 64.160 0.076 25065 2191 1 9 . 1 1 67 67 SER H H 67 7.679 7.679 7.512 0.167 25065 2192 1 9 . 1 1 68 68 PRO HA H 68 4.982 4.982 4.767 0.215 25065 2193 1 9 . 1 1 68 68 PRO CB C 68 32.626 32.626 32.159 0.467 25065 2194 1 9 . 1 1 69 69 THR HA H 69 5.519 5.519 5.272 0.247 25065 2195 1 9 . 1 1 69 69 THR CA C 69 58.316 58.316 59.211 -0.895 25065 2196 1 9 . 1 1 69 69 THR H H 69 8.253 8.253 7.657 0.596 25065 2197 1 9 . 1 1 70 70 PRO HA H 70 3.787 3.787 3.882 -0.095 25065 2198 1 9 . 1 1 70 70 PRO CA C 70 65.995 65.995 65.536 0.459 25065 2199 1 9 . 1 1 70 70 PRO CB C 70 32.865 32.865 31.220 1.645 25065 2200 1 9 . 1 1 71 71 ALA HA H 71 4.122 4.122 4.255 -0.133 25065 2201 1 9 . 1 1 71 71 ALA CA C 71 55.368 55.368 54.963 0.405 25065 2202 1 9 . 1 1 71 71 ALA CB C 71 18.613 18.613 18.134 0.480 25065 2203 1 9 . 1 1 71 71 ALA H H 71 8.775 8.775 8.452 0.323 25065 2204 1 9 . 1 1 72 72 GLY H H 72 8.186 8.186 7.702 0.484 25065 2205 1 9 . 1 1 73 73 VAL HA H 73 3.565 3.565 3.576 -0.011 25065 2206 1 9 . 1 1 73 73 VAL CA C 73 66.671 66.671 66.352 0.319 25065 2207 1 9 . 1 1 73 73 VAL CB C 73 31.440 31.440 31.630 -0.190 25065 2208 1 9 . 1 1 73 73 VAL H H 73 9.142 9.142 8.202 0.940 25065 2209 1 9 . 1 1 74 74 ALA HA H 74 3.772 3.772 4.011 -0.239 25065 2210 1 9 . 1 1 74 74 ALA CA C 74 55.788 55.788 55.494 0.294 25065 2211 1 9 . 1 1 74 74 ALA CB C 74 18.080 18.080 18.270 -0.190 25065 2212 1 9 . 1 1 74 74 ALA H H 74 8.659 8.659 8.303 0.356 25065 2213 1 9 . 1 1 75 75 ARG HA H 75 4.043 4.043 4.050 -0.007 25065 2214 1 9 . 1 1 75 75 ARG CA C 75 59.563 59.563 58.652 0.911 25065 2215 1 9 . 1 1 75 75 ARG CB C 75 30.311 30.311 30.103 0.208 25065 2216 1 9 . 1 1 75 75 ARG H H 75 7.694 7.694 7.590 0.104 25065 2217 1 9 . 1 1 76 76 ALA HA H 76 4.153 4.153 4.085 0.068 25065 2218 1 9 . 1 1 76 76 ALA CA C 76 54.796 54.796 54.721 0.075 25065 2219 1 9 . 1 1 76 76 ALA CB C 76 17.493 17.493 18.602 -1.109 25065 2220 1 9 . 1 1 76 76 ALA H H 76 7.877 7.877 8.057 -0.180 25065 2221 1 9 . 1 1 77 77 LEU HA H 77 3.974 3.974 4.100 -0.126 25065 2222 1 9 . 1 1 77 77 LEU H H 77 8.484 8.484 8.104 0.380 25065 2223 1 9 . 1 1 78 78 ALA HA H 78 4.192 4.192 4.029 0.163 25065 2224 1 9 . 1 1 78 78 ALA CB C 78 18.191 18.191 17.891 0.300 25065 2225 1 9 . 1 1 79 79 ALA HA H 79 4.193 4.193 4.060 0.133 25065 2226 1 9 . 1 1 79 79 ALA CA C 79 53.313 53.313 54.376 -1.063 25065 2227 1 9 . 1 1 79 79 ALA CB C 79 18.379 18.379 18.304 0.075 25065 2228 1 9 . 1 1 79 79 ALA H H 79 7.624 7.624 7.647 -0.023 25065 2229 1 9 . 1 1 80 80 LYS HA H 80 4.241 4.241 4.046 0.195 25065 2230 1 9 . 1 1 80 80 LYS CA C 80 56.363 56.363 58.411 -2.048 25065 2231 1 9 . 1 1 80 80 LYS CB C 80 32.340 32.340 32.211 0.129 25065 2232 1 9 . 1 1 80 80 LYS H H 80 7.759 7.759 8.204 -0.445 25065 2233 1 9 . 1 1 81 81 SER H H 81 7.888 7.888 7.629 0.259 25065 2234 1 9 . 1 1 83 83 SER HA H 83 4.323 4.323 4.187 0.136 25065 2235 1 9 . 1 1 83 83 SER CA C 83 58.644 58.644 56.099 2.545 25065 2236 1 9 . 1 1 83 83 SER CB C 83 63.434 63.434 64.271 -0.837 25065 2237 1 9 . 1 1 84 84 TRP HA H 84 4.645 4.645 4.557 0.088 25065 2238 1 9 . 1 1 84 84 TRP CB C 84 29.473 29.473 28.961 0.512 25065 2239 1 9 . 1 1 85 85 SER HA H 85 4.314 4.314 4.242 0.072 25065 2240 1 9 . 1 1 85 85 SER CB C 85 63.726 63.726 63.859 -0.133 25065 2241 1 9 . 1 1 87 87 PRO HA H 87 4.323 4.323 4.471 -0.148 25065 2242 1 9 . 1 1 87 87 PRO CB C 87 31.915 31.915 32.657 -0.742 25065 2243 1 9 . 1 1 88 88 GLN HA H 88 4.242 4.242 4.104 0.138 25065 2244 1 9 . 1 1 88 88 GLN CA C 88 55.771 55.771 55.492 0.279 25065 2245 1 9 . 1 1 88 88 GLN CB C 88 29.293 29.293 28.820 0.473 25065 2246 1 9 . 1 1 89 89 PHE HA H 89 4.650 4.650 4.557 0.093 25065 2247 1 9 . 1 1 89 89 PHE CB C 89 39.577 39.577 39.092 0.485 25065 2248 1 9 . 1 1 90 90 GLU HA H 90 4.241 4.241 4.082 0.159 25065 2249 1 9 . 1 1 90 90 GLU CA C 90 56.363 56.363 57.374 -1.011 25065 2250 1 9 . 1 1 90 90 GLU CB C 90 30.354 30.354 28.378 1.976 25065 2251 1 10 . 1 1 3 3 MET HA H 3 4.414 4.414 4.644 -0.230 25065 2252 1 10 . 1 1 3 3 MET H H 3 8.447 8.447 8.375 0.072 25065 2253 1 10 . 1 1 5 5 LYS HA H 5 4.253 4.253 4.408 -0.155 25065 2254 1 10 . 1 1 5 5 LYS CA C 5 55.810 55.810 55.832 -0.022 25065 2255 1 10 . 1 1 6 6 ALA HA H 6 4.551 4.551 4.742 -0.191 25065 2256 1 10 . 1 1 6 6 ALA CB C 6 17.947 17.947 19.477 -1.530 25065 2257 1 10 . 1 1 6 6 ALA H H 6 8.400 8.400 8.145 0.255 25065 2258 1 10 . 1 1 7 7 PRO HA H 7 4.318 4.318 4.542 -0.224 25065 2259 1 10 . 1 1 7 7 PRO CB C 7 31.974 31.974 32.737 -0.763 25065 2260 1 10 . 1 1 8 8 GLU HA H 8 4.366 4.366 4.371 -0.005 25065 2261 1 10 . 1 1 8 8 GLU CB C 8 30.764 30.764 30.428 0.336 25065 2262 1 10 . 1 1 8 8 GLU H H 8 8.738 8.738 9.047 -0.309 25065 2263 1 10 . 1 1 9 9 SER HA H 9 4.521 4.521 4.613 -0.092 25065 2264 1 10 . 1 1 9 9 SER CB C 9 65.043 65.043 64.379 0.664 25065 2265 1 10 . 1 1 9 9 SER H H 9 8.724 8.724 8.435 0.289 25065 2266 1 10 . 1 1 10 10 ALA HA H 10 4.082 4.082 4.102 -0.020 25065 2267 1 10 . 1 1 10 10 ALA CB C 10 18.166 18.166 18.523 -0.357 25065 2268 1 10 . 1 1 10 10 ALA H H 10 8.547 8.547 8.950 -0.403 25065 2269 1 10 . 1 1 11 11 THR HA H 11 3.809 3.809 4.030 -0.221 25065 2270 1 10 . 1 1 11 11 THR CA C 11 66.711 66.711 66.268 0.443 25065 2271 1 10 . 1 1 11 11 THR CB C 11 68.400 68.400 68.513 -0.113 25065 2272 1 10 . 1 1 11 11 THR H H 11 8.186 8.186 7.627 0.559 25065 2273 1 10 . 1 1 12 12 GLU HA H 12 3.576 3.576 3.937 -0.361 25065 2274 1 10 . 1 1 12 12 GLU CA C 12 60.604 60.604 59.494 1.110 25065 2275 1 10 . 1 1 12 12 GLU CB C 12 29.805 29.805 29.125 0.680 25065 2276 1 10 . 1 1 12 12 GLU H H 12 8.073 8.073 7.741 0.332 25065 2277 1 10 . 1 1 13 13 LYS HA H 13 3.888 3.888 4.031 -0.143 25065 2278 1 10 . 1 1 13 13 LYS CA C 13 60.352 60.352 59.494 0.858 25065 2279 1 10 . 1 1 13 13 LYS CB C 13 32.257 32.257 31.983 0.274 25065 2280 1 10 . 1 1 13 13 LYS H H 13 8.180 8.180 7.693 0.487 25065 2281 1 10 . 1 1 14 14 VAL HA H 14 3.777 3.777 3.862 -0.085 25065 2282 1 10 . 1 1 14 14 VAL CA C 14 66.089 66.089 65.350 0.739 25065 2283 1 10 . 1 1 14 14 VAL CB C 14 31.861 31.861 31.791 0.070 25065 2284 1 10 . 1 1 14 14 VAL H H 14 7.760 7.760 7.515 0.245 25065 2285 1 10 . 1 1 15 15 LEU HA H 15 3.972 3.972 4.030 -0.058 25065 2286 1 10 . 1 1 15 15 LEU CB C 15 42.097 42.097 41.440 0.657 25065 2287 1 10 . 1 1 15 15 LEU H H 15 8.326 8.326 7.670 0.656 25065 2288 1 10 . 1 1 16 16 CYS HA H 16 3.638 3.638 3.815 -0.177 25065 2289 1 10 . 1 1 16 16 CYS CA C 16 65.055 65.055 61.843 3.212 25065 2290 1 10 . 1 1 16 16 CYS CB C 16 26.610 26.610 26.093 0.516 25065 2291 1 10 . 1 1 16 16 CYS H H 16 8.531 8.531 8.507 0.024 25065 2292 1 10 . 1 1 17 17 ALA HA H 17 4.203 4.203 4.055 0.148 25065 2293 1 10 . 1 1 17 17 ALA CA C 17 55.289 55.289 55.240 0.049 25065 2294 1 10 . 1 1 17 17 ALA CB C 17 17.539 17.539 18.332 -0.793 25065 2295 1 10 . 1 1 17 17 ALA H H 17 7.629 7.629 7.563 0.066 25065 2296 1 10 . 1 1 18 18 LEU HA H 18 4.226 4.226 4.210 0.016 25065 2297 1 10 . 1 1 18 18 LEU CA C 18 57.699 57.699 56.913 0.786 25065 2298 1 10 . 1 1 18 18 LEU CB C 18 42.382 42.382 40.487 1.895 25065 2299 1 10 . 1 1 18 18 LEU H H 18 8.673 8.673 8.084 0.589 25065 2300 1 10 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.306 -0.330 25065 2301 1 10 . 1 1 19 19 TYR CB C 19 39.575 39.575 37.271 2.304 25065 2302 1 10 . 1 1 19 19 TYR H H 19 9.180 9.180 8.643 0.537 25065 2303 1 10 . 1 1 20 20 ALA HA H 20 3.885 3.885 3.958 -0.073 25065 2304 1 10 . 1 1 20 20 ALA CA C 20 55.942 55.942 55.211 0.731 25065 2305 1 10 . 1 1 20 20 ALA CB C 20 17.847 17.847 18.087 -0.240 25065 2306 1 10 . 1 1 20 20 ALA H H 20 7.772 7.772 8.046 -0.274 25065 2307 1 10 . 1 1 21 21 GLU HA H 21 3.995 3.995 4.034 -0.039 25065 2308 1 10 . 1 1 21 21 GLU CA C 21 58.905 58.905 59.169 -0.264 25065 2309 1 10 . 1 1 21 21 GLU CB C 21 30.342 30.342 29.808 0.534 25065 2310 1 10 . 1 1 22 22 ILE HA H 22 3.917 3.917 3.880 0.037 25065 2311 1 10 . 1 1 22 22 ILE CA C 22 61.642 61.642 64.190 -2.548 25065 2312 1 10 . 1 1 22 22 ILE CB C 22 37.107 37.107 38.522 -1.415 25065 2313 1 10 . 1 1 22 22 ILE H H 22 8.299 8.299 7.552 0.747 25065 2314 1 10 . 1 1 23 23 LEU HA H 23 4.134 4.134 4.256 -0.122 25065 2315 1 10 . 1 1 23 23 LEU CA C 23 55.302 55.302 55.232 0.070 25065 2316 1 10 . 1 1 23 23 LEU CB C 23 42.218 42.218 41.970 0.248 25065 2317 1 10 . 1 1 23 23 LEU H H 23 8.477 8.477 8.050 0.427 25065 2318 1 10 . 1 1 24 24 GLY CA C 24 46.801 46.801 45.587 1.214 25065 2319 1 10 . 1 1 24 24 GLY H H 24 7.853 7.853 8.164 -0.311 25065 2320 1 10 . 1 1 25 25 VAL HA H 25 4.590 4.590 4.511 0.079 25065 2321 1 10 . 1 1 25 25 VAL CB C 25 34.203 34.203 33.148 1.055 25065 2322 1 10 . 1 1 25 25 VAL H H 25 7.349 7.349 7.422 -0.073 25065 2323 1 10 . 1 1 26 26 GLU HA H 26 4.029 4.029 4.183 -0.154 25065 2324 1 10 . 1 1 26 26 GLU CA C 26 58.870 58.870 58.041 0.829 25065 2325 1 10 . 1 1 26 26 GLU CB C 26 30.613 30.613 30.238 0.375 25065 2326 1 10 . 1 1 26 26 GLU H H 26 8.416 8.416 8.585 -0.169 25065 2327 1 10 . 1 1 27 27 ARG HA H 27 4.464 4.464 4.457 0.007 25065 2328 1 10 . 1 1 27 27 ARG CB C 27 32.007 32.007 32.584 -0.577 25065 2329 1 10 . 1 1 27 27 ARG H H 27 7.729 7.729 7.605 0.124 25065 2330 1 10 . 1 1 28 28 VAL HA H 28 4.077 4.077 4.567 -0.490 25065 2331 1 10 . 1 1 28 28 VAL CA C 28 61.719 61.719 60.697 1.022 25065 2332 1 10 . 1 1 28 28 VAL CB C 28 34.774 34.774 35.444 -0.670 25065 2333 1 10 . 1 1 28 28 VAL H H 28 8.344 8.344 8.457 -0.113 25065 2334 1 10 . 1 1 29 29 GLY H H 29 9.223 9.223 9.114 0.109 25065 2335 1 10 . 1 1 30 30 VAL HA H 30 3.581 3.581 3.843 -0.262 25065 2336 1 10 . 1 1 30 30 VAL CA C 30 64.307 64.307 63.735 0.572 25065 2337 1 10 . 1 1 30 30 VAL CB C 30 31.617 31.617 31.480 0.137 25065 2338 1 10 . 1 1 30 30 VAL H H 30 8.155 8.155 8.638 -0.483 25065 2339 1 10 . 1 1 31 31 ASP HA H 31 5.041 5.041 4.704 0.337 25065 2340 1 10 . 1 1 31 31 ASP CB C 31 41.177 41.177 41.421 -0.244 25065 2341 1 10 . 1 1 31 31 ASP H H 31 8.149 8.149 8.215 -0.066 25065 2342 1 10 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.630 -0.008 25065 2343 1 10 . 1 1 32 32 ASP CB C 32 41.799 41.799 40.889 0.910 25065 2344 1 10 . 1 1 32 32 ASP H H 32 7.289 7.289 7.630 -0.341 25065 2345 1 10 . 1 1 33 33 ALA HA H 33 4.093 4.093 4.662 -0.569 25065 2346 1 10 . 1 1 33 33 ALA CA C 33 51.549 51.549 51.794 -0.245 25065 2347 1 10 . 1 1 33 33 ALA CB C 33 19.554 19.554 20.182 -0.628 25065 2348 1 10 . 1 1 33 33 ALA H H 33 8.885 8.885 8.625 0.260 25065 2349 1 10 . 1 1 34 34 PHE HA H 34 3.956 3.956 3.916 0.040 25065 2350 1 10 . 1 1 34 34 PHE CA C 34 62.655 62.655 62.259 0.396 25065 2351 1 10 . 1 1 34 34 PHE CB C 34 40.196 40.196 39.410 0.786 25065 2352 1 10 . 1 1 34 34 PHE H H 34 8.409 8.409 8.954 -0.545 25065 2353 1 10 . 1 1 36 36 ASP HA H 36 4.494 4.494 4.545 -0.051 25065 2354 1 10 . 1 1 36 36 ASP CB C 36 40.185 40.185 40.822 -0.637 25065 2355 1 10 . 1 1 37 37 LEU HA H 37 4.347 4.347 4.227 0.120 25065 2356 1 10 . 1 1 37 37 LEU CB C 37 43.535 43.535 42.221 1.314 25065 2357 1 10 . 1 1 37 37 LEU H H 37 7.059 7.059 7.666 -0.607 25065 2358 1 10 . 1 1 38 38 GLY CA C 38 44.575 44.575 44.648 -0.073 25065 2359 1 10 . 1 1 38 38 GLY H H 38 7.451 7.451 7.570 -0.119 25065 2360 1 10 . 1 1 39 39 GLY CA C 39 46.469 46.469 44.449 2.020 25065 2361 1 10 . 1 1 39 39 GLY H H 39 7.624 7.624 7.593 0.031 25065 2362 1 10 . 1 1 40 40 SER HA H 40 4.936 4.936 5.015 -0.079 25065 2363 1 10 . 1 1 40 40 SER CB C 40 66.690 66.690 66.514 0.175 25065 2364 1 10 . 1 1 40 40 SER H H 40 6.796 6.796 8.100 -1.304 25065 2365 1 10 . 1 1 42 42 ALA HA H 42 4.194 4.194 4.176 0.018 25065 2366 1 10 . 1 1 42 42 ALA CB C 42 18.306 18.306 17.932 0.374 25065 2367 1 10 . 1 1 43 43 LEU HA H 43 4.163 4.163 4.128 0.035 25065 2368 1 10 . 1 1 43 43 LEU CB C 43 41.833 41.833 41.451 0.382 25065 2369 1 10 . 1 1 44 44 ALA HA H 44 3.612 3.612 3.331 0.281 25065 2370 1 10 . 1 1 44 44 ALA CA C 44 54.838 54.838 54.776 0.062 25065 2371 1 10 . 1 1 44 44 ALA CB C 44 18.153 18.153 18.025 0.128 25065 2372 1 10 . 1 1 44 44 ALA H H 44 8.864 8.864 8.295 0.569 25065 2373 1 10 . 1 1 45 45 MET HA H 45 4.200 4.200 3.970 0.230 25065 2374 1 10 . 1 1 45 45 MET CA C 45 58.019 58.019 59.306 -1.287 25065 2375 1 10 . 1 1 45 45 MET CB C 45 31.141 31.141 32.631 -1.490 25065 2376 1 10 . 1 1 45 45 MET H H 45 7.669 7.669 7.638 0.031 25065 2377 1 10 . 1 1 46 46 ARG HA H 46 4.187 4.187 4.131 0.056 25065 2378 1 10 . 1 1 46 46 ARG CB C 46 29.748 29.748 29.479 0.269 25065 2379 1 10 . 1 1 46 46 ARG H H 46 7.239 7.239 7.644 -0.405 25065 2380 1 10 . 1 1 47 47 LEU HA H 47 3.914 3.914 4.000 -0.086 25065 2381 1 10 . 1 1 47 47 LEU CB C 47 41.255 41.255 41.299 -0.044 25065 2382 1 10 . 1 1 47 47 LEU H H 47 8.227 8.227 8.108 0.119 25065 2383 1 10 . 1 1 48 48 ILE HA H 48 3.552 3.552 3.558 -0.006 25065 2384 1 10 . 1 1 48 48 ILE CA C 48 65.226 65.226 64.757 0.469 25065 2385 1 10 . 1 1 48 48 ILE CB C 48 37.672 37.672 37.145 0.527 25065 2386 1 10 . 1 1 48 48 ILE H H 48 8.534 8.534 7.195 1.339 25065 2387 1 10 . 1 1 49 49 ALA HA H 49 4.199 4.199 3.990 0.209 25065 2388 1 10 . 1 1 49 49 ALA CB C 49 17.884 17.884 18.164 -0.280 25065 2389 1 10 . 1 1 49 49 ALA H H 49 7.620 7.620 7.459 0.161 25065 2390 1 10 . 1 1 50 50 ARG HA H 50 4.240 4.240 4.350 -0.110 25065 2391 1 10 . 1 1 50 50 ARG H H 50 7.973 7.973 7.978 -0.005 25065 2392 1 10 . 1 1 51 51 ILE HA H 51 3.368 3.368 3.672 -0.304 25065 2393 1 10 . 1 1 51 51 ILE CA C 51 66.422 66.422 65.438 0.984 25065 2394 1 10 . 1 1 51 51 ILE CB C 51 37.825 37.825 37.482 0.343 25065 2395 1 10 . 1 1 51 51 ILE H H 51 8.862 8.862 8.261 0.601 25065 2396 1 10 . 1 1 52 52 ARG HA H 52 4.061 4.061 4.211 -0.150 25065 2397 1 10 . 1 1 52 52 ARG CA C 52 59.614 59.614 58.859 0.755 25065 2398 1 10 . 1 1 52 52 ARG CB C 52 29.519 29.519 29.508 0.011 25065 2399 1 10 . 1 1 52 52 ARG H H 52 7.861 7.861 7.871 -0.010 25065 2400 1 10 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.040 -0.071 25065 2401 1 10 . 1 1 53 53 GLU CA C 53 59.311 59.311 59.532 -0.221 25065 2402 1 10 . 1 1 53 53 GLU CB C 53 30.277 30.277 29.479 0.798 25065 2403 1 10 . 1 1 53 53 GLU H H 53 7.847 7.847 8.119 -0.272 25065 2404 1 10 . 1 1 54 54 GLU HA H 54 4.338 4.338 4.270 0.068 25065 2405 1 10 . 1 1 54 54 GLU CB C 54 30.642 30.642 30.244 0.398 25065 2406 1 10 . 1 1 54 54 GLU H H 54 8.514 8.514 7.932 0.582 25065 2407 1 10 . 1 1 55 55 LEU HA H 55 4.680 4.680 4.464 0.216 25065 2408 1 10 . 1 1 55 55 LEU CB C 55 43.328 43.328 42.797 0.531 25065 2409 1 10 . 1 1 55 55 LEU H H 55 8.658 8.658 8.417 0.241 25065 2410 1 10 . 1 1 56 56 GLY CA C 56 46.596 46.596 45.951 0.645 25065 2411 1 10 . 1 1 56 56 GLY H H 56 7.693 7.693 8.259 -0.566 25065 2412 1 10 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.513 -0.096 25065 2413 1 10 . 1 1 57 57 VAL CB C 57 35.473 35.473 34.644 0.829 25065 2414 1 10 . 1 1 57 57 VAL H H 57 6.534 6.534 7.219 -0.685 25065 2415 1 10 . 1 1 58 58 ASP HA H 58 4.675 4.675 4.707 -0.032 25065 2416 1 10 . 1 1 58 58 ASP CB C 58 41.821 41.821 43.131 -1.310 25065 2417 1 10 . 1 1 58 58 ASP H H 58 8.555 8.555 8.416 0.139 25065 2418 1 10 . 1 1 59 59 LEU HA H 59 4.537 4.537 4.611 -0.074 25065 2419 1 10 . 1 1 59 59 LEU CB C 59 44.310 44.310 45.418 -1.108 25065 2420 1 10 . 1 1 59 59 LEU H H 59 8.395 8.395 8.187 0.208 25065 2421 1 10 . 1 1 60 60 PRO HA H 60 4.418 4.418 4.601 -0.183 25065 2422 1 10 . 1 1 60 60 PRO CB C 60 32.391 32.391 32.984 -0.593 25065 2423 1 10 . 1 1 61 61 ILE HA H 61 3.635 3.635 3.428 0.207 25065 2424 1 10 . 1 1 61 61 ILE CB C 61 37.572 37.572 38.048 -0.476 25065 2425 1 10 . 1 1 61 61 ILE H H 61 8.748 8.748 8.555 0.193 25065 2426 1 10 . 1 1 62 62 ARG HA H 62 3.995 3.995 4.046 -0.051 25065 2427 1 10 . 1 1 62 62 ARG CB C 62 29.519 29.519 29.688 -0.169 25065 2428 1 10 . 1 1 62 62 ARG H H 62 8.419 8.419 8.152 0.267 25065 2429 1 10 . 1 1 63 63 GLN HA H 63 4.027 4.027 4.147 -0.120 25065 2430 1 10 . 1 1 63 63 GLN CB C 63 28.519 28.519 28.100 0.419 25065 2431 1 10 . 1 1 63 63 GLN H H 63 7.443 7.443 7.604 -0.161 25065 2432 1 10 . 1 1 64 64 LEU HA H 64 3.834 3.834 4.000 -0.166 25065 2433 1 10 . 1 1 64 64 LEU CB C 64 40.786 40.786 41.702 -0.916 25065 2434 1 10 . 1 1 64 64 LEU H H 64 7.261 7.261 7.312 -0.051 25065 2435 1 10 . 1 1 65 65 PHE CB C 65 38.158 38.158 38.446 -0.288 25065 2436 1 10 . 1 1 65 65 PHE H H 65 7.405 7.405 7.737 -0.332 25065 2437 1 10 . 1 1 66 66 SER HA H 66 4.368 4.368 4.574 -0.206 25065 2438 1 10 . 1 1 66 66 SER CB C 66 63.456 63.456 63.914 -0.458 25065 2439 1 10 . 1 1 67 67 SER HA H 67 4.801 4.801 4.979 -0.178 25065 2440 1 10 . 1 1 67 67 SER CB C 67 64.236 64.236 63.790 0.446 25065 2441 1 10 . 1 1 67 67 SER H H 67 7.679 7.679 7.602 0.077 25065 2442 1 10 . 1 1 68 68 PRO HA H 68 4.982 4.982 4.720 0.262 25065 2443 1 10 . 1 1 68 68 PRO CB C 68 32.626 32.626 32.445 0.181 25065 2444 1 10 . 1 1 69 69 THR HA H 69 5.519 5.519 5.399 0.120 25065 2445 1 10 . 1 1 69 69 THR CA C 69 58.316 58.316 58.957 -0.641 25065 2446 1 10 . 1 1 69 69 THR H H 69 8.253 8.253 7.737 0.516 25065 2447 1 10 . 1 1 70 70 PRO HA H 70 3.787 3.787 3.919 -0.132 25065 2448 1 10 . 1 1 70 70 PRO CA C 70 65.995 65.995 65.640 0.355 25065 2449 1 10 . 1 1 70 70 PRO CB C 70 32.865 32.865 31.216 1.649 25065 2450 1 10 . 1 1 71 71 ALA HA H 71 4.122 4.122 4.299 -0.177 25065 2451 1 10 . 1 1 71 71 ALA CA C 71 55.368 55.368 54.846 0.522 25065 2452 1 10 . 1 1 71 71 ALA CB C 71 18.613 18.613 18.266 0.347 25065 2453 1 10 . 1 1 71 71 ALA H H 71 8.775 8.775 7.573 1.202 25065 2454 1 10 . 1 1 72 72 GLY H H 72 8.186 8.186 7.748 0.438 25065 2455 1 10 . 1 1 73 73 VAL HA H 73 3.565 3.565 3.722 -0.157 25065 2456 1 10 . 1 1 73 73 VAL CA C 73 66.671 66.671 65.500 1.171 25065 2457 1 10 . 1 1 73 73 VAL CB C 73 31.440 31.440 30.968 0.472 25065 2458 1 10 . 1 1 73 73 VAL H H 73 9.142 9.142 8.037 1.105 25065 2459 1 10 . 1 1 74 74 ALA HA H 74 3.772 3.772 3.955 -0.183 25065 2460 1 10 . 1 1 74 74 ALA CA C 74 55.788 55.788 55.567 0.221 25065 2461 1 10 . 1 1 74 74 ALA CB C 74 18.080 18.080 18.639 -0.559 25065 2462 1 10 . 1 1 74 74 ALA H H 74 8.659 8.659 8.425 0.234 25065 2463 1 10 . 1 1 75 75 ARG HA H 75 4.043 4.043 4.049 -0.006 25065 2464 1 10 . 1 1 75 75 ARG CA C 75 59.563 59.563 58.964 0.599 25065 2465 1 10 . 1 1 75 75 ARG CB C 75 30.311 30.311 29.845 0.466 25065 2466 1 10 . 1 1 75 75 ARG H H 75 7.694 7.694 8.326 -0.632 25065 2467 1 10 . 1 1 76 76 ALA HA H 76 4.153 4.153 4.083 0.070 25065 2468 1 10 . 1 1 76 76 ALA CA C 76 54.796 54.796 55.074 -0.278 25065 2469 1 10 . 1 1 76 76 ALA CB C 76 17.493 17.493 18.556 -1.063 25065 2470 1 10 . 1 1 76 76 ALA H H 76 7.877 7.877 7.712 0.165 25065 2471 1 10 . 1 1 77 77 LEU HA H 77 3.974 3.974 4.016 -0.042 25065 2472 1 10 . 1 1 77 77 LEU H H 77 8.484 8.484 8.192 0.292 25065 2473 1 10 . 1 1 78 78 ALA HA H 78 4.192 4.192 3.892 0.300 25065 2474 1 10 . 1 1 78 78 ALA CB C 78 18.191 18.191 18.282 -0.091 25065 2475 1 10 . 1 1 79 79 ALA HA H 79 4.193 4.193 4.021 0.172 25065 2476 1 10 . 1 1 79 79 ALA CA C 79 53.313 53.313 54.930 -1.617 25065 2477 1 10 . 1 1 79 79 ALA CB C 79 18.379 18.379 18.133 0.246 25065 2478 1 10 . 1 1 79 79 ALA H H 79 7.624 7.624 7.740 -0.116 25065 2479 1 10 . 1 1 80 80 LYS HA H 80 4.241 4.241 4.042 0.199 25065 2480 1 10 . 1 1 80 80 LYS CA C 80 56.363 56.363 59.124 -2.761 25065 2481 1 10 . 1 1 80 80 LYS CB C 80 32.340 32.340 32.468 -0.128 25065 2482 1 10 . 1 1 80 80 LYS H H 80 7.759 7.759 8.109 -0.350 25065 2483 1 10 . 1 1 81 81 SER H H 81 7.888 7.888 8.117 -0.229 25065 2484 1 10 . 1 1 83 83 SER HA H 83 4.323 4.323 4.585 -0.262 25065 2485 1 10 . 1 1 83 83 SER CA C 83 58.644 58.644 57.838 0.806 25065 2486 1 10 . 1 1 83 83 SER CB C 83 63.434 63.434 64.109 -0.675 25065 2487 1 10 . 1 1 84 84 TRP HA H 84 4.645 4.645 4.293 0.352 25065 2488 1 10 . 1 1 84 84 TRP CB C 84 29.473 29.473 29.633 -0.160 25065 2489 1 10 . 1 1 85 85 SER HA H 85 4.314 4.314 4.198 0.116 25065 2490 1 10 . 1 1 85 85 SER CB C 85 63.726 63.726 62.712 1.014 25065 2491 1 10 . 1 1 87 87 PRO HA H 87 4.323 4.323 4.281 0.042 25065 2492 1 10 . 1 1 87 87 PRO CB C 87 31.915 31.915 32.364 -0.449 25065 2493 1 10 . 1 1 88 88 GLN HA H 88 4.242 4.242 4.024 0.218 25065 2494 1 10 . 1 1 88 88 GLN CA C 88 55.771 55.771 56.543 -0.772 25065 2495 1 10 . 1 1 88 88 GLN CB C 88 29.293 29.293 29.004 0.289 25065 2496 1 10 . 1 1 89 89 PHE HA H 89 4.650 4.650 4.602 0.048 25065 2497 1 10 . 1 1 89 89 PHE CB C 89 39.577 39.577 39.364 0.214 25065 2498 1 10 . 1 1 90 90 GLU HA H 90 4.241 4.241 4.531 -0.290 25065 2499 1 10 . 1 1 90 90 GLU CA C 90 56.363 56.363 56.184 0.179 25065 2500 1 10 . 1 1 90 90 GLU CB C 90 30.354 30.354 30.414 -0.060 25065 2501 1 11 . 1 1 3 3 MET HA H 3 4.414 4.414 4.688 -0.274 25065 2502 1 11 . 1 1 3 3 MET H H 3 8.447 8.447 7.678 0.769 25065 2503 1 11 . 1 1 5 5 LYS HA H 5 4.253 4.253 4.057 0.196 25065 2504 1 11 . 1 1 5 5 LYS CA C 5 55.810 55.810 57.458 -1.648 25065 2505 1 11 . 1 1 6 6 ALA HA H 6 4.551 4.551 4.207 0.344 25065 2506 1 11 . 1 1 6 6 ALA CB C 6 17.947 17.947 17.494 0.453 25065 2507 1 11 . 1 1 6 6 ALA H H 6 8.400 8.400 7.769 0.631 25065 2508 1 11 . 1 1 7 7 PRO HA H 7 4.318 4.318 4.337 -0.019 25065 2509 1 11 . 1 1 7 7 PRO CB C 7 31.974 31.974 31.934 0.040 25065 2510 1 11 . 1 1 8 8 GLU HA H 8 4.366 4.366 4.410 -0.044 25065 2511 1 11 . 1 1 8 8 GLU CB C 8 30.764 30.764 27.770 2.994 25065 2512 1 11 . 1 1 8 8 GLU H H 8 8.738 8.738 8.404 0.334 25065 2513 1 11 . 1 1 9 9 SER HA H 9 4.521 4.521 4.358 0.163 25065 2514 1 11 . 1 1 9 9 SER CB C 9 65.043 65.043 64.179 0.864 25065 2515 1 11 . 1 1 9 9 SER H H 9 8.724 8.724 7.846 0.878 25065 2516 1 11 . 1 1 10 10 ALA HA H 10 4.082 4.082 4.066 0.016 25065 2517 1 11 . 1 1 10 10 ALA CB C 10 18.166 18.166 18.272 -0.106 25065 2518 1 11 . 1 1 10 10 ALA H H 10 8.547 8.547 8.692 -0.145 25065 2519 1 11 . 1 1 11 11 THR HA H 11 3.809 3.809 4.103 -0.294 25065 2520 1 11 . 1 1 11 11 THR CA C 11 66.711 66.711 65.378 1.333 25065 2521 1 11 . 1 1 11 11 THR CB C 11 68.400 68.400 68.122 0.278 25065 2522 1 11 . 1 1 11 11 THR H H 11 8.186 8.186 8.148 0.038 25065 2523 1 11 . 1 1 12 12 GLU HA H 12 3.576 3.576 3.984 -0.408 25065 2524 1 11 . 1 1 12 12 GLU CA C 12 60.604 60.604 59.502 1.102 25065 2525 1 11 . 1 1 12 12 GLU CB C 12 29.805 29.805 29.076 0.729 25065 2526 1 11 . 1 1 12 12 GLU H H 12 8.073 8.073 7.858 0.215 25065 2527 1 11 . 1 1 13 13 LYS HA H 13 3.888 3.888 4.111 -0.223 25065 2528 1 11 . 1 1 13 13 LYS CA C 13 60.352 60.352 59.498 0.855 25065 2529 1 11 . 1 1 13 13 LYS CB C 13 32.257 32.257 32.171 0.086 25065 2530 1 11 . 1 1 13 13 LYS H H 13 8.180 8.180 7.910 0.270 25065 2531 1 11 . 1 1 14 14 VAL HA H 14 3.777 3.777 3.838 -0.061 25065 2532 1 11 . 1 1 14 14 VAL CA C 14 66.089 66.089 65.624 0.465 25065 2533 1 11 . 1 1 14 14 VAL CB C 14 31.861 31.861 31.792 0.069 25065 2534 1 11 . 1 1 14 14 VAL H H 14 7.760 7.760 7.368 0.392 25065 2535 1 11 . 1 1 15 15 LEU HA H 15 3.972 3.972 4.085 -0.113 25065 2536 1 11 . 1 1 15 15 LEU CB C 15 42.097 42.097 41.298 0.799 25065 2537 1 11 . 1 1 15 15 LEU H H 15 8.326 8.326 7.524 0.802 25065 2538 1 11 . 1 1 16 16 CYS HA H 16 3.638 3.638 3.845 -0.207 25065 2539 1 11 . 1 1 16 16 CYS CA C 16 65.055 65.055 63.995 1.060 25065 2540 1 11 . 1 1 16 16 CYS CB C 16 26.610 26.610 26.387 0.224 25065 2541 1 11 . 1 1 16 16 CYS H H 16 8.531 8.531 8.160 0.371 25065 2542 1 11 . 1 1 17 17 ALA HA H 17 4.203 4.203 4.152 0.051 25065 2543 1 11 . 1 1 17 17 ALA CA C 17 55.289 55.289 55.302 -0.013 25065 2544 1 11 . 1 1 17 17 ALA CB C 17 17.539 17.539 18.258 -0.719 25065 2545 1 11 . 1 1 17 17 ALA H H 17 7.629 7.629 7.775 -0.146 25065 2546 1 11 . 1 1 18 18 LEU HA H 18 4.226 4.226 4.336 -0.110 25065 2547 1 11 . 1 1 18 18 LEU CA C 18 57.699 57.699 57.083 0.616 25065 2548 1 11 . 1 1 18 18 LEU CB C 18 42.382 42.382 40.773 1.609 25065 2549 1 11 . 1 1 18 18 LEU H H 18 8.673 8.673 8.071 0.602 25065 2550 1 11 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.291 -0.315 25065 2551 1 11 . 1 1 19 19 TYR CB C 19 39.575 39.575 37.332 2.243 25065 2552 1 11 . 1 1 19 19 TYR H H 19 9.180 9.180 8.727 0.453 25065 2553 1 11 . 1 1 20 20 ALA HA H 20 3.885 3.885 3.963 -0.078 25065 2554 1 11 . 1 1 20 20 ALA CA C 20 55.942 55.942 55.234 0.708 25065 2555 1 11 . 1 1 20 20 ALA CB C 20 17.847 17.847 18.035 -0.188 25065 2556 1 11 . 1 1 20 20 ALA H H 20 7.772 7.772 7.903 -0.131 25065 2557 1 11 . 1 1 21 21 GLU HA H 21 3.995 3.995 4.057 -0.062 25065 2558 1 11 . 1 1 21 21 GLU CA C 21 58.905 58.905 59.255 -0.350 25065 2559 1 11 . 1 1 21 21 GLU CB C 21 30.342 30.342 29.656 0.686 25065 2560 1 11 . 1 1 22 22 ILE HA H 22 3.917 3.917 3.978 -0.061 25065 2561 1 11 . 1 1 22 22 ILE CA C 22 61.642 61.642 64.237 -2.595 25065 2562 1 11 . 1 1 22 22 ILE CB C 22 37.107 37.107 38.754 -1.647 25065 2563 1 11 . 1 1 22 22 ILE H H 22 8.299 8.299 7.641 0.658 25065 2564 1 11 . 1 1 23 23 LEU HA H 23 4.134 4.134 4.162 -0.028 25065 2565 1 11 . 1 1 23 23 LEU CA C 23 55.302 55.302 55.794 -0.492 25065 2566 1 11 . 1 1 23 23 LEU CB C 23 42.218 42.218 41.912 0.306 25065 2567 1 11 . 1 1 23 23 LEU H H 23 8.477 8.477 8.390 0.087 25065 2568 1 11 . 1 1 24 24 GLY CA C 24 46.801 46.801 45.532 1.269 25065 2569 1 11 . 1 1 24 24 GLY H H 24 7.853 7.853 8.210 -0.357 25065 2570 1 11 . 1 1 25 25 VAL HA H 25 4.590 4.590 4.452 0.138 25065 2571 1 11 . 1 1 25 25 VAL CB C 25 34.203 34.203 33.049 1.154 25065 2572 1 11 . 1 1 25 25 VAL H H 25 7.349 7.349 7.381 -0.032 25065 2573 1 11 . 1 1 26 26 GLU HA H 26 4.029 4.029 4.211 -0.182 25065 2574 1 11 . 1 1 26 26 GLU CA C 26 58.870 58.870 57.824 1.046 25065 2575 1 11 . 1 1 26 26 GLU CB C 26 30.613 30.613 30.183 0.430 25065 2576 1 11 . 1 1 26 26 GLU H H 26 8.416 8.416 8.709 -0.293 25065 2577 1 11 . 1 1 27 27 ARG HA H 27 4.464 4.464 4.540 -0.076 25065 2578 1 11 . 1 1 27 27 ARG CB C 27 32.007 32.007 32.152 -0.145 25065 2579 1 11 . 1 1 27 27 ARG H H 27 7.729 7.729 7.704 0.025 25065 2580 1 11 . 1 1 28 28 VAL HA H 28 4.077 4.077 4.411 -0.334 25065 2581 1 11 . 1 1 28 28 VAL CA C 28 61.719 61.719 61.064 0.655 25065 2582 1 11 . 1 1 28 28 VAL CB C 28 34.774 34.774 35.371 -0.597 25065 2583 1 11 . 1 1 28 28 VAL H H 28 8.344 8.344 8.293 0.051 25065 2584 1 11 . 1 1 29 29 GLY H H 29 9.223 9.223 8.857 0.366 25065 2585 1 11 . 1 1 30 30 VAL HA H 30 3.581 3.581 3.907 -0.326 25065 2586 1 11 . 1 1 30 30 VAL CA C 30 64.307 64.307 64.300 0.007 25065 2587 1 11 . 1 1 30 30 VAL CB C 30 31.617 31.617 32.567 -0.950 25065 2588 1 11 . 1 1 30 30 VAL H H 30 8.155 8.155 8.691 -0.536 25065 2589 1 11 . 1 1 31 31 ASP HA H 31 5.041 5.041 4.833 0.208 25065 2590 1 11 . 1 1 31 31 ASP CB C 31 41.177 41.177 40.707 0.470 25065 2591 1 11 . 1 1 31 31 ASP H H 31 8.149 8.149 8.186 -0.037 25065 2592 1 11 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.675 -0.053 25065 2593 1 11 . 1 1 32 32 ASP CB C 32 41.799 41.799 41.346 0.453 25065 2594 1 11 . 1 1 32 32 ASP H H 32 7.289 7.289 7.686 -0.397 25065 2595 1 11 . 1 1 33 33 ALA HA H 33 4.093 4.093 4.567 -0.474 25065 2596 1 11 . 1 1 33 33 ALA CA C 33 51.549 51.549 51.838 -0.289 25065 2597 1 11 . 1 1 33 33 ALA CB C 33 19.554 19.554 19.912 -0.358 25065 2598 1 11 . 1 1 33 33 ALA H H 33 8.885 8.885 8.682 0.203 25065 2599 1 11 . 1 1 34 34 PHE HA H 34 3.956 3.956 4.116 -0.160 25065 2600 1 11 . 1 1 34 34 PHE CA C 34 62.655 62.655 62.840 -0.185 25065 2601 1 11 . 1 1 34 34 PHE CB C 34 40.196 40.196 39.629 0.567 25065 2602 1 11 . 1 1 34 34 PHE H H 34 8.409 8.409 8.615 -0.206 25065 2603 1 11 . 1 1 36 36 ASP HA H 36 4.494 4.494 4.381 0.113 25065 2604 1 11 . 1 1 36 36 ASP CB C 36 40.185 40.185 40.720 -0.535 25065 2605 1 11 . 1 1 37 37 LEU HA H 37 4.347 4.347 4.287 0.060 25065 2606 1 11 . 1 1 37 37 LEU CB C 37 43.535 43.535 42.102 1.433 25065 2607 1 11 . 1 1 37 37 LEU H H 37 7.059 7.059 7.616 -0.557 25065 2608 1 11 . 1 1 38 38 GLY CA C 38 44.575 44.575 44.746 -0.171 25065 2609 1 11 . 1 1 38 38 GLY H H 38 7.451 7.451 7.667 -0.216 25065 2610 1 11 . 1 1 39 39 GLY CA C 39 46.469 46.469 44.771 1.698 25065 2611 1 11 . 1 1 39 39 GLY H H 39 7.624 7.624 7.852 -0.228 25065 2612 1 11 . 1 1 40 40 SER HA H 40 4.936 4.936 4.942 -0.006 25065 2613 1 11 . 1 1 40 40 SER CB C 40 66.690 66.690 65.752 0.938 25065 2614 1 11 . 1 1 40 40 SER H H 40 6.796 6.796 8.339 -1.543 25065 2615 1 11 . 1 1 42 42 ALA HA H 42 4.194 4.194 4.241 -0.047 25065 2616 1 11 . 1 1 42 42 ALA CB C 42 18.306 18.306 18.209 0.097 25065 2617 1 11 . 1 1 43 43 LEU HA H 43 4.163 4.163 4.162 0.001 25065 2618 1 11 . 1 1 43 43 LEU CB C 43 41.833 41.833 41.605 0.228 25065 2619 1 11 . 1 1 44 44 ALA HA H 44 3.612 3.612 3.411 0.201 25065 2620 1 11 . 1 1 44 44 ALA CA C 44 54.838 54.838 54.934 -0.096 25065 2621 1 11 . 1 1 44 44 ALA CB C 44 18.153 18.153 18.043 0.110 25065 2622 1 11 . 1 1 44 44 ALA H H 44 8.864 8.864 8.345 0.519 25065 2623 1 11 . 1 1 45 45 MET HA H 45 4.200 4.200 4.100 0.100 25065 2624 1 11 . 1 1 45 45 MET CA C 45 58.019 58.019 57.056 0.964 25065 2625 1 11 . 1 1 45 45 MET CB C 45 31.141 31.141 31.536 -0.395 25065 2626 1 11 . 1 1 45 45 MET H H 45 7.669 7.669 7.860 -0.191 25065 2627 1 11 . 1 1 46 46 ARG HA H 46 4.187 4.187 4.071 0.116 25065 2628 1 11 . 1 1 46 46 ARG CB C 46 29.748 29.748 29.951 -0.203 25065 2629 1 11 . 1 1 46 46 ARG H H 46 7.239 7.239 7.572 -0.333 25065 2630 1 11 . 1 1 47 47 LEU HA H 47 3.914 3.914 4.079 -0.165 25065 2631 1 11 . 1 1 47 47 LEU CB C 47 41.255 41.255 41.602 -0.346 25065 2632 1 11 . 1 1 47 47 LEU H H 47 8.227 8.227 7.939 0.288 25065 2633 1 11 . 1 1 48 48 ILE HA H 48 3.552 3.552 3.468 0.084 25065 2634 1 11 . 1 1 48 48 ILE CA C 48 65.226 65.226 65.496 -0.270 25065 2635 1 11 . 1 1 48 48 ILE CB C 48 37.672 37.672 37.172 0.500 25065 2636 1 11 . 1 1 48 48 ILE H H 48 8.534 8.534 7.336 1.198 25065 2637 1 11 . 1 1 49 49 ALA HA H 49 4.199 4.199 3.958 0.241 25065 2638 1 11 . 1 1 49 49 ALA CB C 49 17.884 17.884 18.132 -0.248 25065 2639 1 11 . 1 1 49 49 ALA H H 49 7.620 7.620 7.721 -0.101 25065 2640 1 11 . 1 1 50 50 ARG HA H 50 4.240 4.240 4.356 -0.116 25065 2641 1 11 . 1 1 50 50 ARG H H 50 7.973 7.973 8.177 -0.204 25065 2642 1 11 . 1 1 51 51 ILE HA H 51 3.368 3.368 3.717 -0.349 25065 2643 1 11 . 1 1 51 51 ILE CA C 51 66.422 66.422 65.483 0.939 25065 2644 1 11 . 1 1 51 51 ILE CB C 51 37.825 37.825 37.571 0.254 25065 2645 1 11 . 1 1 51 51 ILE H H 51 8.862 8.862 8.496 0.366 25065 2646 1 11 . 1 1 52 52 ARG HA H 52 4.061 4.061 4.274 -0.213 25065 2647 1 11 . 1 1 52 52 ARG CA C 52 59.614 59.614 58.556 1.058 25065 2648 1 11 . 1 1 52 52 ARG CB C 52 29.519 29.519 29.696 -0.177 25065 2649 1 11 . 1 1 52 52 ARG H H 52 7.861 7.861 8.065 -0.204 25065 2650 1 11 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.104 -0.135 25065 2651 1 11 . 1 1 53 53 GLU CA C 53 59.311 59.311 59.005 0.306 25065 2652 1 11 . 1 1 53 53 GLU CB C 53 30.277 30.277 29.652 0.625 25065 2653 1 11 . 1 1 53 53 GLU H H 53 7.847 7.847 8.016 -0.169 25065 2654 1 11 . 1 1 54 54 GLU HA H 54 4.338 4.338 4.228 0.110 25065 2655 1 11 . 1 1 54 54 GLU CB C 54 30.642 30.642 30.528 0.114 25065 2656 1 11 . 1 1 54 54 GLU H H 54 8.514 8.514 8.102 0.412 25065 2657 1 11 . 1 1 55 55 LEU HA H 55 4.680 4.680 4.581 0.099 25065 2658 1 11 . 1 1 55 55 LEU CB C 55 43.328 43.328 43.148 0.180 25065 2659 1 11 . 1 1 55 55 LEU H H 55 8.658 8.658 8.329 0.329 25065 2660 1 11 . 1 1 56 56 GLY CA C 56 46.596 46.596 45.943 0.653 25065 2661 1 11 . 1 1 56 56 GLY H H 56 7.693 7.693 7.947 -0.254 25065 2662 1 11 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.484 -0.067 25065 2663 1 11 . 1 1 57 57 VAL CB C 57 35.473 35.473 33.968 1.506 25065 2664 1 11 . 1 1 57 57 VAL H H 57 6.534 6.534 7.172 -0.638 25065 2665 1 11 . 1 1 58 58 ASP HA H 58 4.675 4.675 4.744 -0.069 25065 2666 1 11 . 1 1 58 58 ASP CB C 58 41.821 41.821 42.490 -0.669 25065 2667 1 11 . 1 1 58 58 ASP H H 58 8.555 8.555 8.490 0.065 25065 2668 1 11 . 1 1 59 59 LEU HA H 59 4.537 4.537 4.659 -0.122 25065 2669 1 11 . 1 1 59 59 LEU CB C 59 44.310 44.310 45.093 -0.783 25065 2670 1 11 . 1 1 59 59 LEU H H 59 8.395 8.395 8.228 0.167 25065 2671 1 11 . 1 1 60 60 PRO HA H 60 4.418 4.418 4.504 -0.086 25065 2672 1 11 . 1 1 60 60 PRO CB C 60 32.391 32.391 32.727 -0.336 25065 2673 1 11 . 1 1 61 61 ILE HA H 61 3.635 3.635 3.352 0.283 25065 2674 1 11 . 1 1 61 61 ILE CB C 61 37.572 37.572 37.924 -0.352 25065 2675 1 11 . 1 1 61 61 ILE H H 61 8.748 8.748 8.657 0.091 25065 2676 1 11 . 1 1 62 62 ARG HA H 62 3.995 3.995 4.089 -0.094 25065 2677 1 11 . 1 1 62 62 ARG CB C 62 29.519 29.519 29.481 0.038 25065 2678 1 11 . 1 1 62 62 ARG H H 62 8.419 8.419 8.155 0.264 25065 2679 1 11 . 1 1 63 63 GLN HA H 63 4.027 4.027 4.210 -0.183 25065 2680 1 11 . 1 1 63 63 GLN CB C 63 28.519 28.519 28.222 0.297 25065 2681 1 11 . 1 1 63 63 GLN H H 63 7.443 7.443 7.687 -0.244 25065 2682 1 11 . 1 1 64 64 LEU HA H 64 3.834 3.834 3.959 -0.125 25065 2683 1 11 . 1 1 64 64 LEU CB C 64 40.786 40.786 41.765 -0.979 25065 2684 1 11 . 1 1 64 64 LEU H H 64 7.261 7.261 7.138 0.123 25065 2685 1 11 . 1 1 65 65 PHE CB C 65 38.158 38.158 38.068 0.090 25065 2686 1 11 . 1 1 65 65 PHE H H 65 7.405 7.405 7.674 -0.269 25065 2687 1 11 . 1 1 66 66 SER HA H 66 4.368 4.368 4.484 -0.116 25065 2688 1 11 . 1 1 66 66 SER CB C 66 63.456 63.456 64.070 -0.614 25065 2689 1 11 . 1 1 67 67 SER HA H 67 4.801 4.801 4.892 -0.091 25065 2690 1 11 . 1 1 67 67 SER CB C 67 64.236 64.236 63.790 0.446 25065 2691 1 11 . 1 1 67 67 SER H H 67 7.679 7.679 7.559 0.119 25065 2692 1 11 . 1 1 68 68 PRO HA H 68 4.982 4.982 4.653 0.329 25065 2693 1 11 . 1 1 68 68 PRO CB C 68 32.626 32.626 32.641 -0.015 25065 2694 1 11 . 1 1 69 69 THR HA H 69 5.519 5.519 5.428 0.091 25065 2695 1 11 . 1 1 69 69 THR CA C 69 58.316 58.316 58.597 -0.281 25065 2696 1 11 . 1 1 69 69 THR H H 69 8.253 8.253 7.426 0.827 25065 2697 1 11 . 1 1 70 70 PRO HA H 70 3.787 3.787 3.898 -0.111 25065 2698 1 11 . 1 1 70 70 PRO CA C 70 65.995 65.995 65.911 0.084 25065 2699 1 11 . 1 1 70 70 PRO CB C 70 32.865 32.865 31.331 1.534 25065 2700 1 11 . 1 1 71 71 ALA HA H 71 4.122 4.122 4.277 -0.155 25065 2701 1 11 . 1 1 71 71 ALA CA C 71 55.368 55.368 54.636 0.732 25065 2702 1 11 . 1 1 71 71 ALA CB C 71 18.613 18.613 18.214 0.399 25065 2703 1 11 . 1 1 71 71 ALA H H 71 8.775 8.775 8.424 0.351 25065 2704 1 11 . 1 1 72 72 GLY H H 72 8.186 8.186 7.604 0.582 25065 2705 1 11 . 1 1 73 73 VAL HA H 73 3.565 3.565 3.623 -0.057 25065 2706 1 11 . 1 1 73 73 VAL CA C 73 66.671 66.671 65.801 0.870 25065 2707 1 11 . 1 1 73 73 VAL CB C 73 31.440 31.440 31.235 0.205 25065 2708 1 11 . 1 1 73 73 VAL H H 73 9.142 9.142 7.783 1.359 25065 2709 1 11 . 1 1 74 74 ALA HA H 74 3.772 3.772 4.063 -0.291 25065 2710 1 11 . 1 1 74 74 ALA CA C 74 55.788 55.788 55.381 0.407 25065 2711 1 11 . 1 1 74 74 ALA CB C 74 18.080 18.080 18.317 -0.236 25065 2712 1 11 . 1 1 74 74 ALA H H 74 8.659 8.659 8.309 0.350 25065 2713 1 11 . 1 1 75 75 ARG HA H 75 4.043 4.043 4.045 -0.002 25065 2714 1 11 . 1 1 75 75 ARG CA C 75 59.563 59.563 58.930 0.633 25065 2715 1 11 . 1 1 75 75 ARG CB C 75 30.311 30.311 30.033 0.278 25065 2716 1 11 . 1 1 75 75 ARG H H 75 7.694 7.694 7.611 0.083 25065 2717 1 11 . 1 1 76 76 ALA HA H 76 4.153 4.153 4.107 0.046 25065 2718 1 11 . 1 1 76 76 ALA CA C 76 54.796 54.796 54.819 -0.022 25065 2719 1 11 . 1 1 76 76 ALA CB C 76 17.493 17.493 18.114 -0.622 25065 2720 1 11 . 1 1 76 76 ALA H H 76 7.877 7.877 7.986 -0.109 25065 2721 1 11 . 1 1 77 77 LEU HA H 77 3.974 3.974 3.838 0.136 25065 2722 1 11 . 1 1 77 77 LEU H H 77 8.484 8.484 8.195 0.289 25065 2723 1 11 . 1 1 78 78 ALA HA H 78 4.192 4.192 3.952 0.240 25065 2724 1 11 . 1 1 78 78 ALA CB C 78 18.191 18.191 18.022 0.169 25065 2725 1 11 . 1 1 79 79 ALA HA H 79 4.193 4.193 4.030 0.163 25065 2726 1 11 . 1 1 79 79 ALA CA C 79 53.313 53.313 54.775 -1.462 25065 2727 1 11 . 1 1 79 79 ALA CB C 79 18.379 18.379 18.184 0.195 25065 2728 1 11 . 1 1 79 79 ALA H H 79 7.624 7.624 7.895 -0.271 25065 2729 1 11 . 1 1 80 80 LYS HA H 80 4.241 4.241 4.021 0.220 25065 2730 1 11 . 1 1 80 80 LYS CA C 80 56.363 56.363 57.840 -1.477 25065 2731 1 11 . 1 1 80 80 LYS CB C 80 32.340 32.340 31.933 0.407 25065 2732 1 11 . 1 1 80 80 LYS H H 80 7.759 7.759 8.006 -0.247 25065 2733 1 11 . 1 1 81 81 SER H H 81 7.888 7.888 7.928 -0.040 25065 2734 1 11 . 1 1 83 83 SER HA H 83 4.323 4.323 4.742 -0.419 25065 2735 1 11 . 1 1 83 83 SER CA C 83 58.644 58.644 56.076 2.568 25065 2736 1 11 . 1 1 83 83 SER CB C 83 63.434 63.434 64.137 -0.703 25065 2737 1 11 . 1 1 84 84 TRP HA H 84 4.645 4.645 4.550 0.095 25065 2738 1 11 . 1 1 84 84 TRP CB C 84 29.473 29.473 29.549 -0.076 25065 2739 1 11 . 1 1 85 85 SER HA H 85 4.314 4.314 4.196 0.118 25065 2740 1 11 . 1 1 85 85 SER CB C 85 63.726 63.726 63.504 0.222 25065 2741 1 11 . 1 1 87 87 PRO HA H 87 4.323 4.323 4.240 0.083 25065 2742 1 11 . 1 1 87 87 PRO CB C 87 31.915 31.915 32.153 -0.238 25065 2743 1 11 . 1 1 88 88 GLN HA H 88 4.242 4.242 4.421 -0.179 25065 2744 1 11 . 1 1 88 88 GLN CA C 88 55.771 55.771 54.897 0.874 25065 2745 1 11 . 1 1 88 88 GLN CB C 88 29.293 29.293 30.594 -1.301 25065 2746 1 11 . 1 1 89 89 PHE HA H 89 4.650 4.650 4.531 0.119 25065 2747 1 11 . 1 1 89 89 PHE CB C 89 39.577 39.577 39.683 -0.106 25065 2748 1 11 . 1 1 90 90 GLU HA H 90 4.241 4.241 4.582 -0.341 25065 2749 1 11 . 1 1 90 90 GLU CA C 90 56.363 56.363 56.510 -0.146 25065 2750 1 11 . 1 1 90 90 GLU CB C 90 30.354 30.354 30.363 -0.009 25065 2751 1 12 . 1 1 3 3 MET HA H 3 4.414 4.414 4.583 -0.169 25065 2752 1 12 . 1 1 3 3 MET H H 3 8.447 8.447 8.360 0.087 25065 2753 1 12 . 1 1 5 5 LYS HA H 5 4.253 4.253 4.490 -0.237 25065 2754 1 12 . 1 1 5 5 LYS CA C 5 55.810 55.810 55.809 0.001 25065 2755 1 12 . 1 1 6 6 ALA HA H 6 4.551 4.551 4.533 0.018 25065 2756 1 12 . 1 1 6 6 ALA CB C 6 17.947 17.947 17.469 0.478 25065 2757 1 12 . 1 1 6 6 ALA H H 6 8.400 8.400 8.582 -0.182 25065 2758 1 12 . 1 1 7 7 PRO HA H 7 4.318 4.318 4.593 -0.275 25065 2759 1 12 . 1 1 7 7 PRO CB C 7 31.974 31.974 32.697 -0.723 25065 2760 1 12 . 1 1 8 8 GLU HA H 8 4.366 4.366 4.355 0.011 25065 2761 1 12 . 1 1 8 8 GLU CB C 8 30.764 30.764 30.543 0.221 25065 2762 1 12 . 1 1 8 8 GLU H H 8 8.738 8.738 9.016 -0.278 25065 2763 1 12 . 1 1 9 9 SER HA H 9 4.521 4.521 4.484 0.037 25065 2764 1 12 . 1 1 9 9 SER CB C 9 65.043 65.043 64.033 1.010 25065 2765 1 12 . 1 1 9 9 SER H H 9 8.724 8.724 8.535 0.189 25065 2766 1 12 . 1 1 10 10 ALA HA H 10 4.082 4.082 4.038 0.044 25065 2767 1 12 . 1 1 10 10 ALA CB C 10 18.166 18.166 18.539 -0.373 25065 2768 1 12 . 1 1 10 10 ALA H H 10 8.547 8.547 8.763 -0.216 25065 2769 1 12 . 1 1 11 11 THR HA H 11 3.809 3.809 3.853 -0.044 25065 2770 1 12 . 1 1 11 11 THR CA C 11 66.711 66.711 66.280 0.431 25065 2771 1 12 . 1 1 11 11 THR CB C 11 68.400 68.400 68.144 0.257 25065 2772 1 12 . 1 1 11 11 THR H H 11 8.186 8.186 8.208 -0.022 25065 2773 1 12 . 1 1 12 12 GLU HA H 12 3.576 3.576 3.893 -0.317 25065 2774 1 12 . 1 1 12 12 GLU CA C 12 60.604 60.604 59.108 1.496 25065 2775 1 12 . 1 1 12 12 GLU CB C 12 29.805 29.805 29.157 0.648 25065 2776 1 12 . 1 1 12 12 GLU H H 12 8.073 8.073 7.681 0.392 25065 2777 1 12 . 1 1 13 13 LYS HA H 13 3.888 3.888 3.997 -0.109 25065 2778 1 12 . 1 1 13 13 LYS CA C 13 60.352 60.352 59.574 0.778 25065 2779 1 12 . 1 1 13 13 LYS CB C 13 32.257 32.257 32.178 0.079 25065 2780 1 12 . 1 1 13 13 LYS H H 13 8.180 8.180 7.953 0.227 25065 2781 1 12 . 1 1 14 14 VAL HA H 14 3.777 3.777 3.866 -0.089 25065 2782 1 12 . 1 1 14 14 VAL CA C 14 66.089 66.089 65.473 0.616 25065 2783 1 12 . 1 1 14 14 VAL CB C 14 31.861 31.861 31.911 -0.050 25065 2784 1 12 . 1 1 14 14 VAL H H 14 7.760 7.760 7.546 0.214 25065 2785 1 12 . 1 1 15 15 LEU HA H 15 3.972 3.972 4.077 -0.105 25065 2786 1 12 . 1 1 15 15 LEU CB C 15 42.097 42.097 41.249 0.848 25065 2787 1 12 . 1 1 15 15 LEU H H 15 8.326 8.326 7.365 0.961 25065 2788 1 12 . 1 1 16 16 CYS HA H 16 3.638 3.638 3.815 -0.177 25065 2789 1 12 . 1 1 16 16 CYS CA C 16 65.055 65.055 64.115 0.940 25065 2790 1 12 . 1 1 16 16 CYS CB C 16 26.610 26.610 26.351 0.259 25065 2791 1 12 . 1 1 16 16 CYS H H 16 8.531 8.531 8.185 0.346 25065 2792 1 12 . 1 1 17 17 ALA HA H 17 4.203 4.203 4.051 0.152 25065 2793 1 12 . 1 1 17 17 ALA CA C 17 55.289 55.289 55.276 0.013 25065 2794 1 12 . 1 1 17 17 ALA CB C 17 17.539 17.539 18.256 -0.717 25065 2795 1 12 . 1 1 17 17 ALA H H 17 7.629 7.629 7.540 0.089 25065 2796 1 12 . 1 1 18 18 LEU HA H 18 4.226 4.226 4.116 0.110 25065 2797 1 12 . 1 1 18 18 LEU CA C 18 57.699 57.699 57.818 -0.119 25065 2798 1 12 . 1 1 18 18 LEU CB C 18 42.382 42.382 40.797 1.585 25065 2799 1 12 . 1 1 18 18 LEU H H 18 8.673 8.673 8.140 0.533 25065 2800 1 12 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.293 -0.317 25065 2801 1 12 . 1 1 19 19 TYR CB C 19 39.575 39.575 37.235 2.340 25065 2802 1 12 . 1 1 19 19 TYR H H 19 9.180 9.180 8.634 0.546 25065 2803 1 12 . 1 1 20 20 ALA HA H 20 3.885 3.885 3.981 -0.096 25065 2804 1 12 . 1 1 20 20 ALA CA C 20 55.942 55.942 55.192 0.750 25065 2805 1 12 . 1 1 20 20 ALA CB C 20 17.847 17.847 18.151 -0.304 25065 2806 1 12 . 1 1 20 20 ALA H H 20 7.772 7.772 8.102 -0.330 25065 2807 1 12 . 1 1 21 21 GLU HA H 21 3.995 3.995 4.099 -0.104 25065 2808 1 12 . 1 1 21 21 GLU CA C 21 58.905 58.905 59.040 -0.135 25065 2809 1 12 . 1 1 21 21 GLU CB C 21 30.342 30.342 29.769 0.573 25065 2810 1 12 . 1 1 22 22 ILE HA H 22 3.917 3.917 3.910 0.007 25065 2811 1 12 . 1 1 22 22 ILE CA C 22 61.642 61.642 64.208 -2.566 25065 2812 1 12 . 1 1 22 22 ILE CB C 22 37.107 37.107 38.702 -1.595 25065 2813 1 12 . 1 1 22 22 ILE H H 22 8.299 8.299 7.532 0.767 25065 2814 1 12 . 1 1 23 23 LEU HA H 23 4.134 4.134 4.295 -0.161 25065 2815 1 12 . 1 1 23 23 LEU CA C 23 55.302 55.302 55.114 0.188 25065 2816 1 12 . 1 1 23 23 LEU CB C 23 42.218 42.218 41.728 0.490 25065 2817 1 12 . 1 1 23 23 LEU H H 23 8.477 8.477 8.120 0.357 25065 2818 1 12 . 1 1 24 24 GLY CA C 24 46.801 46.801 45.597 1.204 25065 2819 1 12 . 1 1 24 24 GLY H H 24 7.853 7.853 8.165 -0.312 25065 2820 1 12 . 1 1 25 25 VAL HA H 25 4.590 4.590 4.495 0.095 25065 2821 1 12 . 1 1 25 25 VAL CB C 25 34.203 34.203 33.698 0.505 25065 2822 1 12 . 1 1 25 25 VAL H H 25 7.349 7.349 7.415 -0.066 25065 2823 1 12 . 1 1 26 26 GLU HA H 26 4.029 4.029 4.192 -0.163 25065 2824 1 12 . 1 1 26 26 GLU CA C 26 58.870 58.870 57.181 1.690 25065 2825 1 12 . 1 1 26 26 GLU CB C 26 30.613 30.613 29.945 0.668 25065 2826 1 12 . 1 1 26 26 GLU H H 26 8.416 8.416 8.519 -0.103 25065 2827 1 12 . 1 1 27 27 ARG HA H 27 4.464 4.464 4.548 -0.084 25065 2828 1 12 . 1 1 27 27 ARG CB C 27 32.007 32.007 32.041 -0.034 25065 2829 1 12 . 1 1 27 27 ARG H H 27 7.729 7.729 7.656 0.073 25065 2830 1 12 . 1 1 28 28 VAL HA H 28 4.077 4.077 4.474 -0.397 25065 2831 1 12 . 1 1 28 28 VAL CA C 28 61.719 61.719 61.048 0.671 25065 2832 1 12 . 1 1 28 28 VAL CB C 28 34.774 34.774 35.569 -0.795 25065 2833 1 12 . 1 1 28 28 VAL H H 28 8.344 8.344 8.328 0.016 25065 2834 1 12 . 1 1 29 29 GLY H H 29 9.223 9.223 8.968 0.255 25065 2835 1 12 . 1 1 30 30 VAL HA H 30 3.581 3.581 3.989 -0.408 25065 2836 1 12 . 1 1 30 30 VAL CA C 30 64.307 64.307 63.957 0.350 25065 2837 1 12 . 1 1 30 30 VAL CB C 30 31.617 31.617 32.367 -0.750 25065 2838 1 12 . 1 1 30 30 VAL H H 30 8.155 8.155 8.708 -0.553 25065 2839 1 12 . 1 1 31 31 ASP HA H 31 5.041 5.041 4.728 0.313 25065 2840 1 12 . 1 1 31 31 ASP CB C 31 41.177 41.177 40.140 1.037 25065 2841 1 12 . 1 1 31 31 ASP H H 31 8.149 8.149 8.238 -0.089 25065 2842 1 12 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.656 -0.034 25065 2843 1 12 . 1 1 32 32 ASP CB C 32 41.799 41.799 41.296 0.503 25065 2844 1 12 . 1 1 32 32 ASP H H 32 7.289 7.289 7.561 -0.272 25065 2845 1 12 . 1 1 33 33 ALA HA H 33 4.093 4.093 4.519 -0.426 25065 2846 1 12 . 1 1 33 33 ALA CA C 33 51.549 51.549 51.736 -0.187 25065 2847 1 12 . 1 1 33 33 ALA CB C 33 19.554 19.554 20.172 -0.618 25065 2848 1 12 . 1 1 33 33 ALA H H 33 8.885 8.885 8.600 0.285 25065 2849 1 12 . 1 1 34 34 PHE HA H 34 3.956 3.956 3.967 -0.011 25065 2850 1 12 . 1 1 34 34 PHE CA C 34 62.655 62.655 62.511 0.144 25065 2851 1 12 . 1 1 34 34 PHE CB C 34 40.196 40.196 39.360 0.836 25065 2852 1 12 . 1 1 34 34 PHE H H 34 8.409 8.409 8.392 0.017 25065 2853 1 12 . 1 1 36 36 ASP HA H 36 4.494 4.494 4.539 -0.045 25065 2854 1 12 . 1 1 36 36 ASP CB C 36 40.185 40.185 40.845 -0.660 25065 2855 1 12 . 1 1 37 37 LEU HA H 37 4.347 4.347 4.256 0.091 25065 2856 1 12 . 1 1 37 37 LEU CB C 37 43.535 43.535 41.847 1.688 25065 2857 1 12 . 1 1 37 37 LEU H H 37 7.059 7.059 7.533 -0.474 25065 2858 1 12 . 1 1 38 38 GLY CA C 38 44.575 44.575 44.653 -0.078 25065 2859 1 12 . 1 1 38 38 GLY H H 38 7.451 7.451 7.568 -0.117 25065 2860 1 12 . 1 1 39 39 GLY CA C 39 46.469 46.469 44.427 2.042 25065 2861 1 12 . 1 1 39 39 GLY H H 39 7.624 7.624 7.563 0.061 25065 2862 1 12 . 1 1 40 40 SER HA H 40 4.936 4.936 4.954 -0.018 25065 2863 1 12 . 1 1 40 40 SER CB C 40 66.690 66.690 65.345 1.345 25065 2864 1 12 . 1 1 40 40 SER H H 40 6.796 6.796 8.419 -1.623 25065 2865 1 12 . 1 1 42 42 ALA HA H 42 4.194 4.194 4.177 0.017 25065 2866 1 12 . 1 1 42 42 ALA CB C 42 18.306 18.306 18.144 0.162 25065 2867 1 12 . 1 1 43 43 LEU HA H 43 4.163 4.163 4.183 -0.020 25065 2868 1 12 . 1 1 43 43 LEU CB C 43 41.833 41.833 41.568 0.265 25065 2869 1 12 . 1 1 44 44 ALA HA H 44 3.612 3.612 3.328 0.284 25065 2870 1 12 . 1 1 44 44 ALA CA C 44 54.838 54.838 54.765 0.073 25065 2871 1 12 . 1 1 44 44 ALA CB C 44 18.153 18.153 17.904 0.249 25065 2872 1 12 . 1 1 44 44 ALA H H 44 8.864 8.864 8.498 0.366 25065 2873 1 12 . 1 1 45 45 MET HA H 45 4.200 4.200 3.927 0.273 25065 2874 1 12 . 1 1 45 45 MET CA C 45 58.019 58.019 59.461 -1.442 25065 2875 1 12 . 1 1 45 45 MET CB C 45 31.141 31.141 32.496 -1.355 25065 2876 1 12 . 1 1 45 45 MET H H 45 7.669 7.669 7.922 -0.253 25065 2877 1 12 . 1 1 46 46 ARG HA H 46 4.187 4.187 4.110 0.077 25065 2878 1 12 . 1 1 46 46 ARG CB C 46 29.748 29.748 29.634 0.114 25065 2879 1 12 . 1 1 46 46 ARG H H 46 7.239 7.239 7.395 -0.156 25065 2880 1 12 . 1 1 47 47 LEU HA H 47 3.914 3.914 4.037 -0.123 25065 2881 1 12 . 1 1 47 47 LEU CB C 47 41.255 41.255 41.352 -0.097 25065 2882 1 12 . 1 1 47 47 LEU H H 47 8.227 8.227 7.963 0.264 25065 2883 1 12 . 1 1 48 48 ILE HA H 48 3.552 3.552 3.453 0.099 25065 2884 1 12 . 1 1 48 48 ILE CA C 48 65.226 65.226 65.468 -0.242 25065 2885 1 12 . 1 1 48 48 ILE CB C 48 37.672 37.672 37.164 0.508 25065 2886 1 12 . 1 1 48 48 ILE H H 48 8.534 8.534 7.421 1.113 25065 2887 1 12 . 1 1 49 49 ALA HA H 49 4.199 4.199 3.985 0.214 25065 2888 1 12 . 1 1 49 49 ALA CB C 49 17.884 17.884 18.203 -0.319 25065 2889 1 12 . 1 1 49 49 ALA H H 49 7.620 7.620 7.621 -0.001 25065 2890 1 12 . 1 1 50 50 ARG HA H 50 4.240 4.240 4.103 0.137 25065 2891 1 12 . 1 1 50 50 ARG H H 50 7.973 7.973 8.035 -0.062 25065 2892 1 12 . 1 1 51 51 ILE HA H 51 3.368 3.368 3.677 -0.309 25065 2893 1 12 . 1 1 51 51 ILE CA C 51 66.422 66.422 65.520 0.902 25065 2894 1 12 . 1 1 51 51 ILE CB C 51 37.825 37.825 37.609 0.216 25065 2895 1 12 . 1 1 51 51 ILE H H 51 8.862 8.862 8.647 0.215 25065 2896 1 12 . 1 1 52 52 ARG HA H 52 4.061 4.061 4.184 -0.123 25065 2897 1 12 . 1 1 52 52 ARG CA C 52 59.614 59.614 59.442 0.172 25065 2898 1 12 . 1 1 52 52 ARG CB C 52 29.519 29.519 30.076 -0.557 25065 2899 1 12 . 1 1 52 52 ARG H H 52 7.861 7.861 7.840 0.021 25065 2900 1 12 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.089 -0.120 25065 2901 1 12 . 1 1 53 53 GLU CA C 53 59.311 59.311 59.008 0.303 25065 2902 1 12 . 1 1 53 53 GLU CB C 53 30.277 30.277 29.405 0.872 25065 2903 1 12 . 1 1 53 53 GLU H H 53 7.847 7.847 7.814 0.033 25065 2904 1 12 . 1 1 54 54 GLU HA H 54 4.338 4.338 4.246 0.092 25065 2905 1 12 . 1 1 54 54 GLU CB C 54 30.642 30.642 30.537 0.105 25065 2906 1 12 . 1 1 54 54 GLU H H 54 8.514 8.514 7.743 0.771 25065 2907 1 12 . 1 1 55 55 LEU HA H 55 4.680 4.680 4.592 0.088 25065 2908 1 12 . 1 1 55 55 LEU CB C 55 43.328 43.328 42.922 0.406 25065 2909 1 12 . 1 1 55 55 LEU H H 55 8.658 8.658 8.337 0.321 25065 2910 1 12 . 1 1 56 56 GLY CA C 56 46.596 46.596 45.796 0.800 25065 2911 1 12 . 1 1 56 56 GLY H H 56 7.693 7.693 8.023 -0.330 25065 2912 1 12 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.559 -0.142 25065 2913 1 12 . 1 1 57 57 VAL CB C 57 35.473 35.473 34.294 1.179 25065 2914 1 12 . 1 1 57 57 VAL H H 57 6.534 6.534 7.275 -0.741 25065 2915 1 12 . 1 1 58 58 ASP HA H 58 4.675 4.675 4.860 -0.185 25065 2916 1 12 . 1 1 58 58 ASP CB C 58 41.821 41.821 43.330 -1.509 25065 2917 1 12 . 1 1 58 58 ASP H H 58 8.555 8.555 8.323 0.232 25065 2918 1 12 . 1 1 59 59 LEU HA H 59 4.537 4.537 4.726 -0.189 25065 2919 1 12 . 1 1 59 59 LEU CB C 59 44.310 44.310 45.552 -1.242 25065 2920 1 12 . 1 1 59 59 LEU H H 59 8.395 8.395 8.179 0.216 25065 2921 1 12 . 1 1 60 60 PRO HA H 60 4.418 4.418 4.598 -0.180 25065 2922 1 12 . 1 1 60 60 PRO CB C 60 32.391 32.391 32.847 -0.456 25065 2923 1 12 . 1 1 61 61 ILE HA H 61 3.635 3.635 3.475 0.160 25065 2924 1 12 . 1 1 61 61 ILE CB C 61 37.572 37.572 38.065 -0.493 25065 2925 1 12 . 1 1 61 61 ILE H H 61 8.748 8.748 8.522 0.226 25065 2926 1 12 . 1 1 62 62 ARG HA H 62 3.995 3.995 4.281 -0.286 25065 2927 1 12 . 1 1 62 62 ARG CB C 62 29.519 29.519 29.159 0.360 25065 2928 1 12 . 1 1 62 62 ARG H H 62 8.419 8.419 8.329 0.090 25065 2929 1 12 . 1 1 63 63 GLN HA H 63 4.027 4.027 4.232 -0.205 25065 2930 1 12 . 1 1 63 63 GLN CB C 63 28.519 28.519 28.537 -0.018 25065 2931 1 12 . 1 1 63 63 GLN H H 63 7.443 7.443 7.766 -0.323 25065 2932 1 12 . 1 1 64 64 LEU HA H 64 3.834 3.834 3.920 -0.086 25065 2933 1 12 . 1 1 64 64 LEU CB C 64 40.786 40.786 41.600 -0.814 25065 2934 1 12 . 1 1 64 64 LEU H H 64 7.261 7.261 7.498 -0.237 25065 2935 1 12 . 1 1 65 65 PHE CB C 65 38.158 38.158 38.397 -0.239 25065 2936 1 12 . 1 1 65 65 PHE H H 65 7.405 7.405 7.596 -0.191 25065 2937 1 12 . 1 1 66 66 SER HA H 66 4.368 4.368 4.593 -0.225 25065 2938 1 12 . 1 1 66 66 SER CB C 66 63.456 63.456 64.291 -0.835 25065 2939 1 12 . 1 1 67 67 SER HA H 67 4.801 4.801 4.902 -0.101 25065 2940 1 12 . 1 1 67 67 SER CB C 67 64.236 64.236 63.626 0.610 25065 2941 1 12 . 1 1 67 67 SER H H 67 7.679 7.679 7.209 0.470 25065 2942 1 12 . 1 1 68 68 PRO HA H 68 4.982 4.982 4.616 0.366 25065 2943 1 12 . 1 1 68 68 PRO CB C 68 32.626 32.626 32.328 0.298 25065 2944 1 12 . 1 1 69 69 THR HA H 69 5.519 5.519 5.268 0.251 25065 2945 1 12 . 1 1 69 69 THR CA C 69 58.316 58.316 58.727 -0.411 25065 2946 1 12 . 1 1 69 69 THR H H 69 8.253 8.253 7.508 0.745 25065 2947 1 12 . 1 1 70 70 PRO HA H 70 3.787 3.787 4.058 -0.271 25065 2948 1 12 . 1 1 70 70 PRO CA C 70 65.995 65.995 65.088 0.907 25065 2949 1 12 . 1 1 70 70 PRO CB C 70 32.865 32.865 31.299 1.566 25065 2950 1 12 . 1 1 71 71 ALA HA H 71 4.122 4.122 3.940 0.182 25065 2951 1 12 . 1 1 71 71 ALA CA C 71 55.368 55.368 55.259 0.109 25065 2952 1 12 . 1 1 71 71 ALA CB C 71 18.613 18.613 18.159 0.454 25065 2953 1 12 . 1 1 71 71 ALA H H 71 8.775 8.775 7.778 0.997 25065 2954 1 12 . 1 1 72 72 GLY H H 72 8.186 8.186 7.585 0.601 25065 2955 1 12 . 1 1 73 73 VAL HA H 73 3.565 3.565 3.722 -0.157 25065 2956 1 12 . 1 1 73 73 VAL CA C 73 66.671 66.671 65.798 0.873 25065 2957 1 12 . 1 1 73 73 VAL CB C 73 31.440 31.440 31.059 0.381 25065 2958 1 12 . 1 1 73 73 VAL H H 73 9.142 9.142 7.901 1.241 25065 2959 1 12 . 1 1 74 74 ALA HA H 74 3.772 3.772 3.989 -0.217 25065 2960 1 12 . 1 1 74 74 ALA CA C 74 55.788 55.788 55.567 0.221 25065 2961 1 12 . 1 1 74 74 ALA CB C 74 18.080 18.080 18.380 -0.300 25065 2962 1 12 . 1 1 74 74 ALA H H 74 8.659 8.659 8.434 0.225 25065 2963 1 12 . 1 1 75 75 ARG HA H 75 4.043 4.043 4.062 -0.019 25065 2964 1 12 . 1 1 75 75 ARG CA C 75 59.563 59.563 58.915 0.648 25065 2965 1 12 . 1 1 75 75 ARG CB C 75 30.311 30.311 29.930 0.381 25065 2966 1 12 . 1 1 75 75 ARG H H 75 7.694 7.694 7.960 -0.266 25065 2967 1 12 . 1 1 76 76 ALA HA H 76 4.153 4.153 4.149 0.004 25065 2968 1 12 . 1 1 76 76 ALA CA C 76 54.796 54.796 54.663 0.134 25065 2969 1 12 . 1 1 76 76 ALA CB C 76 17.493 17.493 18.379 -0.886 25065 2970 1 12 . 1 1 76 76 ALA H H 76 7.877 7.877 7.874 0.003 25065 2971 1 12 . 1 1 77 77 LEU HA H 77 3.974 3.974 4.021 -0.047 25065 2972 1 12 . 1 1 77 77 LEU H H 77 8.484 8.484 8.155 0.329 25065 2973 1 12 . 1 1 78 78 ALA HA H 78 4.192 4.192 4.036 0.156 25065 2974 1 12 . 1 1 78 78 ALA CB C 78 18.191 18.191 18.213 -0.022 25065 2975 1 12 . 1 1 79 79 ALA HA H 79 4.193 4.193 4.159 0.034 25065 2976 1 12 . 1 1 79 79 ALA CA C 79 53.313 53.313 54.548 -1.235 25065 2977 1 12 . 1 1 79 79 ALA CB C 79 18.379 18.379 18.591 -0.212 25065 2978 1 12 . 1 1 79 79 ALA H H 79 7.624 7.624 7.774 -0.150 25065 2979 1 12 . 1 1 80 80 LYS HA H 80 4.241 4.241 4.335 -0.094 25065 2980 1 12 . 1 1 80 80 LYS CA C 80 56.363 56.363 56.508 -0.145 25065 2981 1 12 . 1 1 80 80 LYS CB C 80 32.340 32.340 32.725 -0.385 25065 2982 1 12 . 1 1 80 80 LYS H H 80 7.759 7.759 7.640 0.119 25065 2983 1 12 . 1 1 81 81 SER H H 81 7.888 7.888 7.561 0.327 25065 2984 1 12 . 1 1 83 83 SER HA H 83 4.323 4.323 4.653 -0.330 25065 2985 1 12 . 1 1 83 83 SER CA C 83 58.644 58.644 57.013 1.631 25065 2986 1 12 . 1 1 83 83 SER CB C 83 63.434 63.434 65.942 -2.508 25065 2987 1 12 . 1 1 84 84 TRP HA H 84 4.645 4.645 4.688 -0.043 25065 2988 1 12 . 1 1 84 84 TRP CB C 84 29.473 29.473 29.207 0.266 25065 2989 1 12 . 1 1 85 85 SER HA H 85 4.314 4.314 4.221 0.094 25065 2990 1 12 . 1 1 85 85 SER CB C 85 63.726 63.726 63.451 0.275 25065 2991 1 12 . 1 1 87 87 PRO HA H 87 4.323 4.323 4.458 -0.135 25065 2992 1 12 . 1 1 87 87 PRO CB C 87 31.915 31.915 32.883 -0.968 25065 2993 1 12 . 1 1 88 88 GLN HA H 88 4.242 4.242 4.313 -0.071 25065 2994 1 12 . 1 1 88 88 GLN CA C 88 55.771 55.771 54.859 0.912 25065 2995 1 12 . 1 1 88 88 GLN CB C 88 29.293 29.293 30.495 -1.202 25065 2996 1 12 . 1 1 89 89 PHE HA H 89 4.650 4.650 4.731 -0.081 25065 2997 1 12 . 1 1 89 89 PHE CB C 89 39.577 39.577 39.720 -0.143 25065 2998 1 12 . 1 1 90 90 GLU HA H 90 4.241 4.241 4.547 -0.306 25065 2999 1 12 . 1 1 90 90 GLU CA C 90 56.363 56.363 55.655 0.708 25065 3000 1 12 . 1 1 90 90 GLU CB C 90 30.354 30.354 31.562 -1.208 25065 3001 1 13 . 1 1 3 3 MET HA H 3 4.414 4.414 4.714 -0.300 25065 3002 1 13 . 1 1 3 3 MET H H 3 8.447 8.447 7.611 0.836 25065 3003 1 13 . 1 1 5 5 LYS HA H 5 4.253 4.253 4.646 -0.393 25065 3004 1 13 . 1 1 5 5 LYS CA C 5 55.810 55.810 55.763 0.047 25065 3005 1 13 . 1 1 6 6 ALA HA H 6 4.551 4.551 4.834 -0.283 25065 3006 1 13 . 1 1 6 6 ALA CB C 6 17.947 17.947 19.403 -1.456 25065 3007 1 13 . 1 1 6 6 ALA H H 6 8.400 8.400 8.306 0.094 25065 3008 1 13 . 1 1 7 7 PRO HA H 7 4.318 4.318 4.570 -0.252 25065 3009 1 13 . 1 1 7 7 PRO CB C 7 31.974 31.974 32.611 -0.636 25065 3010 1 13 . 1 1 8 8 GLU HA H 8 4.366 4.366 4.239 0.127 25065 3011 1 13 . 1 1 8 8 GLU CB C 8 30.764 30.764 30.721 0.043 25065 3012 1 13 . 1 1 8 8 GLU H H 8 8.738 8.738 9.081 -0.343 25065 3013 1 13 . 1 1 9 9 SER HA H 9 4.521 4.521 4.602 -0.081 25065 3014 1 13 . 1 1 9 9 SER CB C 9 65.043 65.043 65.662 -0.619 25065 3015 1 13 . 1 1 9 9 SER H H 9 8.724 8.724 8.707 0.017 25065 3016 1 13 . 1 1 10 10 ALA HA H 10 4.082 4.082 4.105 -0.023 25065 3017 1 13 . 1 1 10 10 ALA CB C 10 18.166 18.166 17.940 0.226 25065 3018 1 13 . 1 1 10 10 ALA H H 10 8.547 8.547 8.807 -0.260 25065 3019 1 13 . 1 1 11 11 THR HA H 11 3.809 3.809 4.026 -0.217 25065 3020 1 13 . 1 1 11 11 THR CA C 11 66.711 66.711 66.000 0.711 25065 3021 1 13 . 1 1 11 11 THR CB C 11 68.400 68.400 68.200 0.200 25065 3022 1 13 . 1 1 11 11 THR H H 11 8.186 8.186 8.158 0.028 25065 3023 1 13 . 1 1 12 12 GLU HA H 12 3.576 3.576 3.919 -0.343 25065 3024 1 13 . 1 1 12 12 GLU CA C 12 60.604 60.604 59.328 1.276 25065 3025 1 13 . 1 1 12 12 GLU CB C 12 29.805 29.805 29.217 0.588 25065 3026 1 13 . 1 1 12 12 GLU H H 12 8.073 8.073 7.818 0.255 25065 3027 1 13 . 1 1 13 13 LYS HA H 13 3.888 3.888 4.038 -0.150 25065 3028 1 13 . 1 1 13 13 LYS CA C 13 60.352 60.352 59.560 0.792 25065 3029 1 13 . 1 1 13 13 LYS CB C 13 32.257 32.257 32.146 0.111 25065 3030 1 13 . 1 1 13 13 LYS H H 13 8.180 8.180 7.678 0.502 25065 3031 1 13 . 1 1 14 14 VAL HA H 14 3.777 3.777 3.870 -0.093 25065 3032 1 13 . 1 1 14 14 VAL CA C 14 66.089 66.089 65.256 0.833 25065 3033 1 13 . 1 1 14 14 VAL CB C 14 31.861 31.861 31.774 0.087 25065 3034 1 13 . 1 1 14 14 VAL H H 14 7.760 7.760 7.458 0.302 25065 3035 1 13 . 1 1 15 15 LEU HA H 15 3.972 3.972 4.024 -0.052 25065 3036 1 13 . 1 1 15 15 LEU CB C 15 42.097 42.097 41.498 0.599 25065 3037 1 13 . 1 1 15 15 LEU H H 15 8.326 8.326 7.823 0.503 25065 3038 1 13 . 1 1 16 16 CYS HA H 16 3.638 3.638 3.746 -0.108 25065 3039 1 13 . 1 1 16 16 CYS CA C 16 65.055 65.055 63.332 1.723 25065 3040 1 13 . 1 1 16 16 CYS CB C 16 26.610 26.610 27.148 -0.538 25065 3041 1 13 . 1 1 16 16 CYS H H 16 8.531 8.531 8.336 0.195 25065 3042 1 13 . 1 1 17 17 ALA HA H 17 4.203 4.203 4.025 0.178 25065 3043 1 13 . 1 1 17 17 ALA CA C 17 55.289 55.289 55.214 0.075 25065 3044 1 13 . 1 1 17 17 ALA CB C 17 17.539 17.539 18.352 -0.812 25065 3045 1 13 . 1 1 17 17 ALA H H 17 7.629 7.629 7.493 0.136 25065 3046 1 13 . 1 1 18 18 LEU HA H 18 4.226 4.226 4.142 0.084 25065 3047 1 13 . 1 1 18 18 LEU CA C 18 57.699 57.699 57.283 0.416 25065 3048 1 13 . 1 1 18 18 LEU CB C 18 42.382 42.382 40.643 1.739 25065 3049 1 13 . 1 1 18 18 LEU H H 18 8.673 8.673 8.106 0.567 25065 3050 1 13 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.264 -0.288 25065 3051 1 13 . 1 1 19 19 TYR CB C 19 39.575 39.575 37.410 2.165 25065 3052 1 13 . 1 1 19 19 TYR H H 19 9.180 9.180 8.686 0.494 25065 3053 1 13 . 1 1 20 20 ALA HA H 20 3.885 3.885 3.977 -0.092 25065 3054 1 13 . 1 1 20 20 ALA CA C 20 55.942 55.942 55.194 0.749 25065 3055 1 13 . 1 1 20 20 ALA CB C 20 17.847 17.847 18.052 -0.204 25065 3056 1 13 . 1 1 20 20 ALA H H 20 7.772 7.772 8.059 -0.287 25065 3057 1 13 . 1 1 21 21 GLU HA H 21 3.995 3.995 4.034 -0.039 25065 3058 1 13 . 1 1 21 21 GLU CA C 21 58.905 58.905 59.091 -0.186 25065 3059 1 13 . 1 1 21 21 GLU CB C 21 30.342 30.342 29.758 0.584 25065 3060 1 13 . 1 1 22 22 ILE HA H 22 3.917 3.917 3.924 -0.007 25065 3061 1 13 . 1 1 22 22 ILE CA C 22 61.642 61.642 63.602 -1.960 25065 3062 1 13 . 1 1 22 22 ILE CB C 22 37.107 37.107 38.421 -1.314 25065 3063 1 13 . 1 1 22 22 ILE H H 22 8.299 8.299 7.387 0.912 25065 3064 1 13 . 1 1 23 23 LEU HA H 23 4.134 4.134 4.259 -0.125 25065 3065 1 13 . 1 1 23 23 LEU CA C 23 55.302 55.302 55.288 0.014 25065 3066 1 13 . 1 1 23 23 LEU CB C 23 42.218 42.218 41.847 0.371 25065 3067 1 13 . 1 1 23 23 LEU H H 23 8.477 8.477 8.119 0.358 25065 3068 1 13 . 1 1 24 24 GLY CA C 24 46.801 46.801 45.602 1.199 25065 3069 1 13 . 1 1 24 24 GLY H H 24 7.853 7.853 8.160 -0.307 25065 3070 1 13 . 1 1 25 25 VAL HA H 25 4.590 4.590 4.469 0.121 25065 3071 1 13 . 1 1 25 25 VAL CB C 25 34.203 34.203 33.043 1.160 25065 3072 1 13 . 1 1 25 25 VAL H H 25 7.349 7.349 7.295 0.054 25065 3073 1 13 . 1 1 26 26 GLU HA H 26 4.029 4.029 4.192 -0.163 25065 3074 1 13 . 1 1 26 26 GLU CA C 26 58.870 58.870 58.156 0.715 25065 3075 1 13 . 1 1 26 26 GLU CB C 26 30.613 30.613 30.211 0.402 25065 3076 1 13 . 1 1 26 26 GLU H H 26 8.416 8.416 8.572 -0.156 25065 3077 1 13 . 1 1 27 27 ARG HA H 27 4.464 4.464 4.509 -0.045 25065 3078 1 13 . 1 1 27 27 ARG CB C 27 32.007 32.007 32.519 -0.512 25065 3079 1 13 . 1 1 27 27 ARG H H 27 7.729 7.729 7.614 0.115 25065 3080 1 13 . 1 1 28 28 VAL HA H 28 4.077 4.077 4.429 -0.352 25065 3081 1 13 . 1 1 28 28 VAL CA C 28 61.719 61.719 61.132 0.587 25065 3082 1 13 . 1 1 28 28 VAL CB C 28 34.774 34.774 34.379 0.395 25065 3083 1 13 . 1 1 28 28 VAL H H 28 8.344 8.344 8.510 -0.166 25065 3084 1 13 . 1 1 29 29 GLY H H 29 9.223 9.223 9.056 0.167 25065 3085 1 13 . 1 1 30 30 VAL HA H 30 3.581 3.581 3.810 -0.229 25065 3086 1 13 . 1 1 30 30 VAL CA C 30 64.307 64.307 64.101 0.206 25065 3087 1 13 . 1 1 30 30 VAL CB C 30 31.617 31.617 31.856 -0.239 25065 3088 1 13 . 1 1 30 30 VAL H H 30 8.155 8.155 8.437 -0.282 25065 3089 1 13 . 1 1 31 31 ASP HA H 31 5.041 5.041 4.689 0.352 25065 3090 1 13 . 1 1 31 31 ASP CB C 31 41.177 41.177 41.376 -0.199 25065 3091 1 13 . 1 1 31 31 ASP H H 31 8.149 8.149 8.189 -0.040 25065 3092 1 13 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.671 -0.049 25065 3093 1 13 . 1 1 32 32 ASP CB C 32 41.799 41.799 41.142 0.657 25065 3094 1 13 . 1 1 32 32 ASP H H 32 7.289 7.289 7.732 -0.443 25065 3095 1 13 . 1 1 33 33 ALA HA H 33 4.093 4.093 4.586 -0.493 25065 3096 1 13 . 1 1 33 33 ALA CA C 33 51.549 51.549 51.602 -0.053 25065 3097 1 13 . 1 1 33 33 ALA CB C 33 19.554 19.554 20.095 -0.541 25065 3098 1 13 . 1 1 33 33 ALA H H 33 8.885 8.885 8.652 0.233 25065 3099 1 13 . 1 1 34 34 PHE HA H 34 3.956 3.956 4.089 -0.133 25065 3100 1 13 . 1 1 34 34 PHE CA C 34 62.655 62.655 62.234 0.421 25065 3101 1 13 . 1 1 34 34 PHE CB C 34 40.196 40.196 39.151 1.045 25065 3102 1 13 . 1 1 34 34 PHE H H 34 8.409 8.409 8.617 -0.208 25065 3103 1 13 . 1 1 36 36 ASP HA H 36 4.494 4.494 4.276 0.218 25065 3104 1 13 . 1 1 36 36 ASP CB C 36 40.185 40.185 40.614 -0.428 25065 3105 1 13 . 1 1 37 37 LEU HA H 37 4.347 4.347 4.241 0.106 25065 3106 1 13 . 1 1 37 37 LEU CB C 37 43.535 43.535 42.314 1.221 25065 3107 1 13 . 1 1 37 37 LEU H H 37 7.059 7.059 7.826 -0.767 25065 3108 1 13 . 1 1 38 38 GLY CA C 38 44.575 44.575 44.787 -0.212 25065 3109 1 13 . 1 1 38 38 GLY H H 38 7.451 7.451 7.688 -0.237 25065 3110 1 13 . 1 1 39 39 GLY CA C 39 46.469 46.469 44.101 2.368 25065 3111 1 13 . 1 1 39 39 GLY H H 39 7.624 7.624 8.031 -0.407 25065 3112 1 13 . 1 1 40 40 SER HA H 40 4.936 4.936 4.930 0.006 25065 3113 1 13 . 1 1 40 40 SER CB C 40 66.690 66.690 66.294 0.396 25065 3114 1 13 . 1 1 40 40 SER H H 40 6.796 6.796 8.284 -1.488 25065 3115 1 13 . 1 1 42 42 ALA HA H 42 4.194 4.194 4.214 -0.020 25065 3116 1 13 . 1 1 42 42 ALA CB C 42 18.306 18.306 18.222 0.084 25065 3117 1 13 . 1 1 43 43 LEU HA H 43 4.163 4.163 4.115 0.048 25065 3118 1 13 . 1 1 43 43 LEU CB C 43 41.833 41.833 41.584 0.249 25065 3119 1 13 . 1 1 44 44 ALA HA H 44 3.612 3.612 3.311 0.301 25065 3120 1 13 . 1 1 44 44 ALA CA C 44 54.838 54.838 54.892 -0.054 25065 3121 1 13 . 1 1 44 44 ALA CB C 44 18.153 18.153 17.965 0.188 25065 3122 1 13 . 1 1 44 44 ALA H H 44 8.864 8.864 8.491 0.373 25065 3123 1 13 . 1 1 45 45 MET HA H 45 4.200 4.200 4.156 0.044 25065 3124 1 13 . 1 1 45 45 MET CA C 45 58.019 58.019 57.355 0.664 25065 3125 1 13 . 1 1 45 45 MET CB C 45 31.141 31.141 31.681 -0.540 25065 3126 1 13 . 1 1 45 45 MET H H 45 7.669 7.669 7.781 -0.112 25065 3127 1 13 . 1 1 46 46 ARG HA H 46 4.187 4.187 4.133 0.054 25065 3128 1 13 . 1 1 46 46 ARG CB C 46 29.748 29.748 29.700 0.048 25065 3129 1 13 . 1 1 46 46 ARG H H 46 7.239 7.239 7.599 -0.360 25065 3130 1 13 . 1 1 47 47 LEU HA H 47 3.914 3.914 4.054 -0.141 25065 3131 1 13 . 1 1 47 47 LEU CB C 47 41.255 41.255 41.416 -0.161 25065 3132 1 13 . 1 1 47 47 LEU H H 47 8.227 8.227 8.180 0.047 25065 3133 1 13 . 1 1 48 48 ILE HA H 48 3.552 3.552 3.510 0.042 25065 3134 1 13 . 1 1 48 48 ILE CA C 48 65.226 65.226 65.386 -0.160 25065 3135 1 13 . 1 1 48 48 ILE CB C 48 37.672 37.672 37.178 0.494 25065 3136 1 13 . 1 1 48 48 ILE H H 48 8.534 8.534 7.326 1.208 25065 3137 1 13 . 1 1 49 49 ALA HA H 49 4.199 4.199 3.924 0.275 25065 3138 1 13 . 1 1 49 49 ALA CB C 49 17.884 17.884 18.256 -0.372 25065 3139 1 13 . 1 1 49 49 ALA H H 49 7.620 7.620 7.574 0.046 25065 3140 1 13 . 1 1 50 50 ARG HA H 50 4.240 4.240 4.109 0.131 25065 3141 1 13 . 1 1 50 50 ARG H H 50 7.973 7.973 7.755 0.218 25065 3142 1 13 . 1 1 51 51 ILE HA H 51 3.368 3.368 3.697 -0.329 25065 3143 1 13 . 1 1 51 51 ILE CA C 51 66.422 66.422 65.451 0.971 25065 3144 1 13 . 1 1 51 51 ILE CB C 51 37.825 37.825 37.483 0.342 25065 3145 1 13 . 1 1 51 51 ILE H H 51 8.862 8.862 8.268 0.594 25065 3146 1 13 . 1 1 52 52 ARG HA H 52 4.061 4.061 4.227 -0.166 25065 3147 1 13 . 1 1 52 52 ARG CA C 52 59.614 59.614 58.801 0.813 25065 3148 1 13 . 1 1 52 52 ARG CB C 52 29.519 29.519 29.653 -0.134 25065 3149 1 13 . 1 1 52 52 ARG H H 52 7.861 7.861 8.126 -0.265 25065 3150 1 13 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.124 -0.155 25065 3151 1 13 . 1 1 53 53 GLU CA C 53 59.311 59.311 59.353 -0.042 25065 3152 1 13 . 1 1 53 53 GLU CB C 53 30.277 30.277 29.448 0.829 25065 3153 1 13 . 1 1 53 53 GLU H H 53 7.847 7.847 8.009 -0.162 25065 3154 1 13 . 1 1 54 54 GLU HA H 54 4.338 4.338 4.269 0.069 25065 3155 1 13 . 1 1 54 54 GLU CB C 54 30.642 30.642 30.159 0.483 25065 3156 1 13 . 1 1 54 54 GLU H H 54 8.514 8.514 8.143 0.371 25065 3157 1 13 . 1 1 55 55 LEU HA H 55 4.680 4.680 4.430 0.250 25065 3158 1 13 . 1 1 55 55 LEU CB C 55 43.328 43.328 42.760 0.569 25065 3159 1 13 . 1 1 55 55 LEU H H 55 8.658 8.658 8.337 0.321 25065 3160 1 13 . 1 1 56 56 GLY CA C 56 46.596 46.596 45.821 0.775 25065 3161 1 13 . 1 1 56 56 GLY H H 56 7.693 7.693 7.946 -0.253 25065 3162 1 13 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.498 -0.081 25065 3163 1 13 . 1 1 57 57 VAL CB C 57 35.473 35.473 34.303 1.169 25065 3164 1 13 . 1 1 57 57 VAL H H 57 6.534 6.534 7.213 -0.679 25065 3165 1 13 . 1 1 58 58 ASP HA H 58 4.675 4.675 4.884 -0.209 25065 3166 1 13 . 1 1 58 58 ASP CB C 58 41.821 41.821 43.646 -1.825 25065 3167 1 13 . 1 1 58 58 ASP H H 58 8.555 8.555 8.432 0.123 25065 3168 1 13 . 1 1 59 59 LEU HA H 59 4.537 4.537 4.717 -0.180 25065 3169 1 13 . 1 1 59 59 LEU CB C 59 44.310 44.310 45.270 -0.960 25065 3170 1 13 . 1 1 59 59 LEU H H 59 8.395 8.395 8.266 0.129 25065 3171 1 13 . 1 1 60 60 PRO HA H 60 4.418 4.418 4.633 -0.215 25065 3172 1 13 . 1 1 60 60 PRO CB C 60 32.391 32.391 32.976 -0.585 25065 3173 1 13 . 1 1 61 61 ILE HA H 61 3.635 3.635 3.689 -0.054 25065 3174 1 13 . 1 1 61 61 ILE CB C 61 37.572 37.572 38.417 -0.846 25065 3175 1 13 . 1 1 61 61 ILE H H 61 8.748 8.748 8.803 -0.055 25065 3176 1 13 . 1 1 62 62 ARG HA H 62 3.995 3.995 4.078 -0.083 25065 3177 1 13 . 1 1 62 62 ARG CB C 62 29.519 29.519 29.837 -0.318 25065 3178 1 13 . 1 1 62 62 ARG H H 62 8.419 8.419 8.457 -0.038 25065 3179 1 13 . 1 1 63 63 GLN HA H 63 4.027 4.027 4.171 -0.144 25065 3180 1 13 . 1 1 63 63 GLN CB C 63 28.519 28.519 28.791 -0.272 25065 3181 1 13 . 1 1 63 63 GLN H H 63 7.443 7.443 7.795 -0.352 25065 3182 1 13 . 1 1 64 64 LEU HA H 64 3.834 3.834 4.055 -0.221 25065 3183 1 13 . 1 1 64 64 LEU CB C 64 40.786 40.786 42.122 -1.336 25065 3184 1 13 . 1 1 64 64 LEU H H 64 7.261 7.261 7.579 -0.318 25065 3185 1 13 . 1 1 65 65 PHE CB C 65 38.158 38.158 39.013 -0.855 25065 3186 1 13 . 1 1 65 65 PHE H H 65 7.405 7.405 8.455 -1.050 25065 3187 1 13 . 1 1 66 66 SER HA H 66 4.368 4.368 4.650 -0.282 25065 3188 1 13 . 1 1 66 66 SER CB C 66 63.456 63.456 63.959 -0.503 25065 3189 1 13 . 1 1 67 67 SER HA H 67 4.801 4.801 4.880 -0.079 25065 3190 1 13 . 1 1 67 67 SER CB C 67 64.236 64.236 63.920 0.316 25065 3191 1 13 . 1 1 67 67 SER H H 67 7.679 7.679 7.610 0.069 25065 3192 1 13 . 1 1 68 68 PRO HA H 68 4.982 4.982 4.679 0.303 25065 3193 1 13 . 1 1 68 68 PRO CB C 68 32.626 32.626 32.208 0.418 25065 3194 1 13 . 1 1 69 69 THR HA H 69 5.519 5.519 5.210 0.309 25065 3195 1 13 . 1 1 69 69 THR CA C 69 58.316 58.316 59.237 -0.921 25065 3196 1 13 . 1 1 69 69 THR H H 69 8.253 8.253 7.724 0.529 25065 3197 1 13 . 1 1 70 70 PRO HA H 70 3.787 3.787 3.913 -0.126 25065 3198 1 13 . 1 1 70 70 PRO CA C 70 65.995 65.995 65.787 0.208 25065 3199 1 13 . 1 1 70 70 PRO CB C 70 32.865 32.865 31.296 1.569 25065 3200 1 13 . 1 1 71 71 ALA HA H 71 4.122 4.122 4.051 0.071 25065 3201 1 13 . 1 1 71 71 ALA CA C 71 55.368 55.368 54.889 0.479 25065 3202 1 13 . 1 1 71 71 ALA CB C 71 18.613 18.613 18.317 0.296 25065 3203 1 13 . 1 1 71 71 ALA H H 71 8.775 8.775 8.137 0.638 25065 3204 1 13 . 1 1 72 72 GLY H H 72 8.186 8.186 7.597 0.589 25065 3205 1 13 . 1 1 73 73 VAL HA H 73 3.565 3.565 3.688 -0.123 25065 3206 1 13 . 1 1 73 73 VAL CA C 73 66.671 66.671 65.992 0.679 25065 3207 1 13 . 1 1 73 73 VAL CB C 73 31.440 31.440 31.358 0.082 25065 3208 1 13 . 1 1 73 73 VAL H H 73 9.142 9.142 7.864 1.278 25065 3209 1 13 . 1 1 74 74 ALA HA H 74 3.772 3.772 3.986 -0.214 25065 3210 1 13 . 1 1 74 74 ALA CA C 74 55.788 55.788 55.428 0.360 25065 3211 1 13 . 1 1 74 74 ALA CB C 74 18.080 18.080 18.249 -0.169 25065 3212 1 13 . 1 1 74 74 ALA H H 74 8.659 8.659 8.162 0.497 25065 3213 1 13 . 1 1 75 75 ARG HA H 75 4.043 4.043 4.048 -0.005 25065 3214 1 13 . 1 1 75 75 ARG CA C 75 59.563 59.563 58.810 0.753 25065 3215 1 13 . 1 1 75 75 ARG CB C 75 30.311 30.311 29.824 0.487 25065 3216 1 13 . 1 1 75 75 ARG H H 75 7.694 7.694 7.807 -0.113 25065 3217 1 13 . 1 1 76 76 ALA HA H 76 4.153 4.153 4.217 -0.064 25065 3218 1 13 . 1 1 76 76 ALA CA C 76 54.796 54.796 54.072 0.724 25065 3219 1 13 . 1 1 76 76 ALA CB C 76 17.493 17.493 18.443 -0.950 25065 3220 1 13 . 1 1 76 76 ALA H H 76 7.877 7.877 7.390 0.487 25065 3221 1 13 . 1 1 77 77 LEU HA H 77 3.974 3.974 3.970 0.004 25065 3222 1 13 . 1 1 77 77 LEU H H 77 8.484 8.484 8.419 0.065 25065 3223 1 13 . 1 1 78 78 ALA HA H 78 4.192 4.192 3.867 0.325 25065 3224 1 13 . 1 1 78 78 ALA CB C 78 18.191 18.191 18.031 0.160 25065 3225 1 13 . 1 1 79 79 ALA HA H 79 4.193 4.193 3.925 0.268 25065 3226 1 13 . 1 1 79 79 ALA CA C 79 53.313 53.313 55.318 -2.005 25065 3227 1 13 . 1 1 79 79 ALA CB C 79 18.379 18.379 18.395 -0.016 25065 3228 1 13 . 1 1 79 79 ALA H H 79 7.624 7.624 7.682 -0.058 25065 3229 1 13 . 1 1 80 80 LYS HA H 80 4.241 4.241 4.107 0.134 25065 3230 1 13 . 1 1 80 80 LYS CA C 80 56.363 56.363 58.065 -1.702 25065 3231 1 13 . 1 1 80 80 LYS CB C 80 32.340 32.340 32.098 0.242 25065 3232 1 13 . 1 1 80 80 LYS H H 80 7.759 7.759 7.862 -0.103 25065 3233 1 13 . 1 1 81 81 SER H H 81 7.888 7.888 7.535 0.353 25065 3234 1 13 . 1 1 83 83 SER HA H 83 4.323 4.323 4.491 -0.168 25065 3235 1 13 . 1 1 83 83 SER CA C 83 58.644 58.644 58.706 -0.062 25065 3236 1 13 . 1 1 83 83 SER CB C 83 63.434 63.434 63.826 -0.392 25065 3237 1 13 . 1 1 84 84 TRP HA H 84 4.645 4.645 4.440 0.205 25065 3238 1 13 . 1 1 84 84 TRP CB C 84 29.473 29.473 29.715 -0.242 25065 3239 1 13 . 1 1 85 85 SER HA H 85 4.314 4.314 4.526 -0.212 25065 3240 1 13 . 1 1 85 85 SER CB C 85 63.726 63.726 64.325 -0.599 25065 3241 1 13 . 1 1 87 87 PRO HA H 87 4.323 4.323 4.524 -0.201 25065 3242 1 13 . 1 1 87 87 PRO CB C 87 31.915 31.915 32.201 -0.286 25065 3243 1 13 . 1 1 88 88 GLN HA H 88 4.242 4.242 4.584 -0.342 25065 3244 1 13 . 1 1 88 88 GLN CA C 88 55.771 55.771 55.026 0.745 25065 3245 1 13 . 1 1 88 88 GLN CB C 88 29.293 29.293 30.109 -0.816 25065 3246 1 13 . 1 1 89 89 PHE HA H 89 4.650 4.650 4.758 -0.108 25065 3247 1 13 . 1 1 89 89 PHE CB C 89 39.577 39.577 39.544 0.034 25065 3248 1 13 . 1 1 90 90 GLU HA H 90 4.241 4.241 4.194 0.047 25065 3249 1 13 . 1 1 90 90 GLU CA C 90 56.363 56.363 56.150 0.213 25065 3250 1 13 . 1 1 90 90 GLU CB C 90 30.354 30.354 30.308 0.046 25065 3251 1 14 . 1 1 3 3 MET HA H 3 4.414 4.414 4.375 0.039 25065 3252 1 14 . 1 1 3 3 MET H H 3 8.447 8.447 8.474 -0.027 25065 3253 1 14 . 1 1 5 5 LYS HA H 5 4.253 4.253 4.148 0.105 25065 3254 1 14 . 1 1 5 5 LYS CA C 5 55.810 55.810 57.388 -1.577 25065 3255 1 14 . 1 1 6 6 ALA HA H 6 4.551 4.551 4.550 0.001 25065 3256 1 14 . 1 1 6 6 ALA CB C 6 17.947 17.947 19.467 -1.520 25065 3257 1 14 . 1 1 6 6 ALA H H 6 8.400 8.400 7.477 0.923 25065 3258 1 14 . 1 1 7 7 PRO HA H 7 4.318 4.318 4.570 -0.252 25065 3259 1 14 . 1 1 7 7 PRO CB C 7 31.974 31.974 32.824 -0.850 25065 3260 1 14 . 1 1 8 8 GLU HA H 8 4.366 4.366 4.236 0.130 25065 3261 1 14 . 1 1 8 8 GLU CB C 8 30.764 30.764 30.702 0.062 25065 3262 1 14 . 1 1 8 8 GLU H H 8 8.738 8.738 8.872 -0.134 25065 3263 1 14 . 1 1 9 9 SER HA H 9 4.521 4.521 4.522 -0.001 25065 3264 1 14 . 1 1 9 9 SER CB C 9 65.043 65.043 64.749 0.294 25065 3265 1 14 . 1 1 9 9 SER H H 9 8.724 8.724 7.825 0.899 25065 3266 1 14 . 1 1 10 10 ALA HA H 10 4.082 4.082 4.104 -0.022 25065 3267 1 14 . 1 1 10 10 ALA CB C 10 18.166 18.166 18.215 -0.049 25065 3268 1 14 . 1 1 10 10 ALA H H 10 8.547 8.547 8.672 -0.125 25065 3269 1 14 . 1 1 11 11 THR HA H 11 3.809 3.809 4.057 -0.248 25065 3270 1 14 . 1 1 11 11 THR CA C 11 66.711 66.711 65.384 1.327 25065 3271 1 14 . 1 1 11 11 THR CB C 11 68.400 68.400 68.073 0.327 25065 3272 1 14 . 1 1 11 11 THR H H 11 8.186 8.186 8.160 0.026 25065 3273 1 14 . 1 1 12 12 GLU HA H 12 3.576 3.576 3.965 -0.389 25065 3274 1 14 . 1 1 12 12 GLU CA C 12 60.604 60.604 59.360 1.244 25065 3275 1 14 . 1 1 12 12 GLU CB C 12 29.805 29.805 28.991 0.815 25065 3276 1 14 . 1 1 12 12 GLU H H 12 8.073 8.073 7.951 0.122 25065 3277 1 14 . 1 1 13 13 LYS HA H 13 3.888 3.888 4.023 -0.135 25065 3278 1 14 . 1 1 13 13 LYS CA C 13 60.352 60.352 59.539 0.813 25065 3279 1 14 . 1 1 13 13 LYS CB C 13 32.257 32.257 32.053 0.204 25065 3280 1 14 . 1 1 13 13 LYS H H 13 8.180 8.180 7.668 0.512 25065 3281 1 14 . 1 1 14 14 VAL HA H 14 3.777 3.777 3.862 -0.085 25065 3282 1 14 . 1 1 14 14 VAL CA C 14 66.089 66.089 65.137 0.952 25065 3283 1 14 . 1 1 14 14 VAL CB C 14 31.861 31.861 31.094 0.767 25065 3284 1 14 . 1 1 14 14 VAL H H 14 7.760 7.760 7.462 0.298 25065 3285 1 14 . 1 1 15 15 LEU HA H 15 3.972 3.972 4.044 -0.072 25065 3286 1 14 . 1 1 15 15 LEU CB C 15 42.097 42.097 41.355 0.742 25065 3287 1 14 . 1 1 15 15 LEU H H 15 8.326 8.326 7.667 0.659 25065 3288 1 14 . 1 1 16 16 CYS HA H 16 3.638 3.638 3.790 -0.152 25065 3289 1 14 . 1 1 16 16 CYS CA C 16 65.055 65.055 64.290 0.765 25065 3290 1 14 . 1 1 16 16 CYS CB C 16 26.610 26.610 26.375 0.235 25065 3291 1 14 . 1 1 16 16 CYS H H 16 8.531 8.531 8.496 0.035 25065 3292 1 14 . 1 1 17 17 ALA HA H 17 4.203 4.203 4.081 0.122 25065 3293 1 14 . 1 1 17 17 ALA CA C 17 55.289 55.289 55.166 0.124 25065 3294 1 14 . 1 1 17 17 ALA CB C 17 17.539 17.539 18.197 -0.658 25065 3295 1 14 . 1 1 17 17 ALA H H 17 7.629 7.629 7.578 0.051 25065 3296 1 14 . 1 1 18 18 LEU HA H 18 4.226 4.226 4.104 0.122 25065 3297 1 14 . 1 1 18 18 LEU CA C 18 57.699 57.699 57.911 -0.212 25065 3298 1 14 . 1 1 18 18 LEU CB C 18 42.382 42.382 40.907 1.475 25065 3299 1 14 . 1 1 18 18 LEU H H 18 8.673 8.673 8.159 0.514 25065 3300 1 14 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.298 -0.322 25065 3301 1 14 . 1 1 19 19 TYR CB C 19 39.575 39.575 37.395 2.180 25065 3302 1 14 . 1 1 19 19 TYR H H 19 9.180 9.180 8.557 0.623 25065 3303 1 14 . 1 1 20 20 ALA HA H 20 3.885 3.885 3.959 -0.074 25065 3304 1 14 . 1 1 20 20 ALA CA C 20 55.942 55.942 55.275 0.667 25065 3305 1 14 . 1 1 20 20 ALA CB C 20 17.847 17.847 18.119 -0.272 25065 3306 1 14 . 1 1 20 20 ALA H H 20 7.772 7.772 8.044 -0.272 25065 3307 1 14 . 1 1 21 21 GLU HA H 21 3.995 3.995 4.081 -0.086 25065 3308 1 14 . 1 1 21 21 GLU CA C 21 58.905 58.905 58.984 -0.079 25065 3309 1 14 . 1 1 21 21 GLU CB C 21 30.342 30.342 29.538 0.804 25065 3310 1 14 . 1 1 22 22 ILE HA H 22 3.917 3.917 3.941 -0.024 25065 3311 1 14 . 1 1 22 22 ILE CA C 22 61.642 61.642 63.523 -1.881 25065 3312 1 14 . 1 1 22 22 ILE CB C 22 37.107 37.107 38.434 -1.327 25065 3313 1 14 . 1 1 22 22 ILE H H 22 8.299 8.299 7.348 0.951 25065 3314 1 14 . 1 1 23 23 LEU HA H 23 4.134 4.134 4.268 -0.134 25065 3315 1 14 . 1 1 23 23 LEU CA C 23 55.302 55.302 55.159 0.143 25065 3316 1 14 . 1 1 23 23 LEU CB C 23 42.218 42.218 41.973 0.245 25065 3317 1 14 . 1 1 23 23 LEU H H 23 8.477 8.477 8.152 0.325 25065 3318 1 14 . 1 1 24 24 GLY CA C 24 46.801 46.801 45.630 1.171 25065 3319 1 14 . 1 1 24 24 GLY H H 24 7.853 7.853 8.144 -0.291 25065 3320 1 14 . 1 1 25 25 VAL HA H 25 4.590 4.590 4.508 0.082 25065 3321 1 14 . 1 1 25 25 VAL CB C 25 34.203 34.203 33.787 0.416 25065 3322 1 14 . 1 1 25 25 VAL H H 25 7.349 7.349 7.338 0.011 25065 3323 1 14 . 1 1 26 26 GLU HA H 26 4.029 4.029 4.155 -0.126 25065 3324 1 14 . 1 1 26 26 GLU CA C 26 58.870 58.870 57.913 0.957 25065 3325 1 14 . 1 1 26 26 GLU CB C 26 30.613 30.613 30.124 0.489 25065 3326 1 14 . 1 1 26 26 GLU H H 26 8.416 8.416 8.583 -0.167 25065 3327 1 14 . 1 1 27 27 ARG HA H 27 4.464 4.464 4.421 0.043 25065 3328 1 14 . 1 1 27 27 ARG CB C 27 32.007 32.007 32.569 -0.562 25065 3329 1 14 . 1 1 27 27 ARG H H 27 7.729 7.729 7.622 0.107 25065 3330 1 14 . 1 1 28 28 VAL HA H 28 4.077 4.077 4.380 -0.303 25065 3331 1 14 . 1 1 28 28 VAL CA C 28 61.719 61.719 60.986 0.733 25065 3332 1 14 . 1 1 28 28 VAL CB C 28 34.774 34.774 34.073 0.701 25065 3333 1 14 . 1 1 28 28 VAL H H 28 8.344 8.344 8.449 -0.105 25065 3334 1 14 . 1 1 29 29 GLY H H 29 9.223 9.223 8.763 0.460 25065 3335 1 14 . 1 1 30 30 VAL HA H 30 3.581 3.581 3.870 -0.289 25065 3336 1 14 . 1 1 30 30 VAL CA C 30 64.307 64.307 64.088 0.219 25065 3337 1 14 . 1 1 30 30 VAL CB C 30 31.617 31.617 32.125 -0.508 25065 3338 1 14 . 1 1 30 30 VAL H H 30 8.155 8.155 8.621 -0.466 25065 3339 1 14 . 1 1 31 31 ASP HA H 31 5.041 5.041 4.878 0.163 25065 3340 1 14 . 1 1 31 31 ASP CB C 31 41.177 41.177 40.724 0.453 25065 3341 1 14 . 1 1 31 31 ASP H H 31 8.149 8.149 8.290 -0.141 25065 3342 1 14 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.630 -0.008 25065 3343 1 14 . 1 1 32 32 ASP CB C 32 41.799 41.799 41.064 0.735 25065 3344 1 14 . 1 1 32 32 ASP H H 32 7.289 7.289 7.554 -0.265 25065 3345 1 14 . 1 1 33 33 ALA HA H 33 4.093 4.093 4.575 -0.482 25065 3346 1 14 . 1 1 33 33 ALA CA C 33 51.549 51.549 51.477 0.072 25065 3347 1 14 . 1 1 33 33 ALA CB C 33 19.554 19.554 20.153 -0.599 25065 3348 1 14 . 1 1 33 33 ALA H H 33 8.885 8.885 8.838 0.047 25065 3349 1 14 . 1 1 34 34 PHE HA H 34 3.956 3.956 3.999 -0.043 25065 3350 1 14 . 1 1 34 34 PHE CA C 34 62.655 62.655 62.131 0.524 25065 3351 1 14 . 1 1 34 34 PHE CB C 34 40.196 40.196 39.351 0.845 25065 3352 1 14 . 1 1 34 34 PHE H H 34 8.409 8.409 8.224 0.185 25065 3353 1 14 . 1 1 36 36 ASP HA H 36 4.494 4.494 4.545 -0.051 25065 3354 1 14 . 1 1 36 36 ASP CB C 36 40.185 40.185 40.269 -0.084 25065 3355 1 14 . 1 1 37 37 LEU HA H 37 4.347 4.347 4.307 0.040 25065 3356 1 14 . 1 1 37 37 LEU CB C 37 43.535 43.535 41.956 1.579 25065 3357 1 14 . 1 1 37 37 LEU H H 37 7.059 7.059 7.630 -0.571 25065 3358 1 14 . 1 1 38 38 GLY CA C 38 44.575 44.575 44.786 -0.211 25065 3359 1 14 . 1 1 38 38 GLY H H 38 7.451 7.451 7.722 -0.271 25065 3360 1 14 . 1 1 39 39 GLY CA C 39 46.469 46.469 44.374 2.095 25065 3361 1 14 . 1 1 39 39 GLY H H 39 7.624 7.624 7.724 -0.100 25065 3362 1 14 . 1 1 40 40 SER HA H 40 4.936 4.936 4.886 0.050 25065 3363 1 14 . 1 1 40 40 SER CB C 40 66.690 66.690 66.360 0.330 25065 3364 1 14 . 1 1 40 40 SER H H 40 6.796 6.796 8.338 -1.542 25065 3365 1 14 . 1 1 42 42 ALA HA H 42 4.194 4.194 4.218 -0.024 25065 3366 1 14 . 1 1 42 42 ALA CB C 42 18.306 18.306 18.519 -0.213 25065 3367 1 14 . 1 1 43 43 LEU HA H 43 4.163 4.163 4.168 -0.005 25065 3368 1 14 . 1 1 43 43 LEU CB C 43 41.833 41.833 41.741 0.092 25065 3369 1 14 . 1 1 44 44 ALA HA H 44 3.612 3.612 3.278 0.334 25065 3370 1 14 . 1 1 44 44 ALA CA C 44 54.838 54.838 54.886 -0.048 25065 3371 1 14 . 1 1 44 44 ALA CB C 44 18.153 18.153 17.782 0.371 25065 3372 1 14 . 1 1 44 44 ALA H H 44 8.864 8.864 8.028 0.836 25065 3373 1 14 . 1 1 45 45 MET HA H 45 4.200 4.200 3.894 0.306 25065 3374 1 14 . 1 1 45 45 MET CA C 45 58.019 58.019 59.385 -1.366 25065 3375 1 14 . 1 1 45 45 MET CB C 45 31.141 31.141 32.378 -1.237 25065 3376 1 14 . 1 1 45 45 MET H H 45 7.669 7.669 7.636 0.033 25065 3377 1 14 . 1 1 46 46 ARG HA H 46 4.187 4.187 4.124 0.063 25065 3378 1 14 . 1 1 46 46 ARG CB C 46 29.748 29.748 29.261 0.487 25065 3379 1 14 . 1 1 46 46 ARG H H 46 7.239 7.239 7.291 -0.052 25065 3380 1 14 . 1 1 47 47 LEU HA H 47 3.914 3.914 4.056 -0.142 25065 3381 1 14 . 1 1 47 47 LEU CB C 47 41.255 41.255 41.460 -0.205 25065 3382 1 14 . 1 1 47 47 LEU H H 47 8.227 8.227 7.877 0.350 25065 3383 1 14 . 1 1 48 48 ILE HA H 48 3.552 3.552 3.457 0.095 25065 3384 1 14 . 1 1 48 48 ILE CA C 48 65.226 65.226 65.463 -0.237 25065 3385 1 14 . 1 1 48 48 ILE CB C 48 37.672 37.672 37.155 0.517 25065 3386 1 14 . 1 1 48 48 ILE H H 48 8.534 8.534 7.685 0.849 25065 3387 1 14 . 1 1 49 49 ALA HA H 49 4.199 4.199 3.970 0.229 25065 3388 1 14 . 1 1 49 49 ALA CB C 49 17.884 17.884 18.165 -0.280 25065 3389 1 14 . 1 1 49 49 ALA H H 49 7.620 7.620 7.553 0.067 25065 3390 1 14 . 1 1 50 50 ARG HA H 50 4.240 4.240 4.423 -0.183 25065 3391 1 14 . 1 1 50 50 ARG H H 50 7.973 7.973 7.961 0.012 25065 3392 1 14 . 1 1 51 51 ILE HA H 51 3.368 3.368 3.674 -0.305 25065 3393 1 14 . 1 1 51 51 ILE CA C 51 66.422 66.422 65.529 0.893 25065 3394 1 14 . 1 1 51 51 ILE CB C 51 37.825 37.825 37.564 0.261 25065 3395 1 14 . 1 1 51 51 ILE H H 51 8.862 8.862 8.637 0.225 25065 3396 1 14 . 1 1 52 52 ARG HA H 52 4.061 4.061 4.160 -0.099 25065 3397 1 14 . 1 1 52 52 ARG CA C 52 59.614 59.614 59.346 0.268 25065 3398 1 14 . 1 1 52 52 ARG CB C 52 29.519 29.519 29.867 -0.348 25065 3399 1 14 . 1 1 52 52 ARG H H 52 7.861 7.861 8.046 -0.185 25065 3400 1 14 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.123 -0.154 25065 3401 1 14 . 1 1 53 53 GLU CA C 53 59.311 59.311 58.839 0.472 25065 3402 1 14 . 1 1 53 53 GLU CB C 53 30.277 30.277 29.566 0.711 25065 3403 1 14 . 1 1 53 53 GLU H H 53 7.847 7.847 7.531 0.316 25065 3404 1 14 . 1 1 54 54 GLU HA H 54 4.338 4.338 4.241 0.097 25065 3405 1 14 . 1 1 54 54 GLU CB C 54 30.642 30.642 30.303 0.339 25065 3406 1 14 . 1 1 54 54 GLU H H 54 8.514 8.514 8.071 0.443 25065 3407 1 14 . 1 1 55 55 LEU HA H 55 4.680 4.680 4.514 0.166 25065 3408 1 14 . 1 1 55 55 LEU CB C 55 43.328 43.328 42.789 0.539 25065 3409 1 14 . 1 1 55 55 LEU H H 55 8.658 8.658 8.307 0.351 25065 3410 1 14 . 1 1 56 56 GLY CA C 56 46.596 46.596 45.775 0.821 25065 3411 1 14 . 1 1 56 56 GLY H H 56 7.693 7.693 7.781 -0.088 25065 3412 1 14 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.415 0.002 25065 3413 1 14 . 1 1 57 57 VAL CB C 57 35.473 35.473 34.623 0.850 25065 3414 1 14 . 1 1 57 57 VAL H H 57 6.534 6.534 7.225 -0.691 25065 3415 1 14 . 1 1 58 58 ASP HA H 58 4.675 4.675 4.590 0.085 25065 3416 1 14 . 1 1 58 58 ASP CB C 58 41.821 41.821 39.522 2.299 25065 3417 1 14 . 1 1 58 58 ASP H H 58 8.555 8.555 8.502 0.053 25065 3418 1 14 . 1 1 59 59 LEU HA H 59 4.537 4.537 4.550 -0.013 25065 3419 1 14 . 1 1 59 59 LEU CB C 59 44.310 44.310 43.024 1.286 25065 3420 1 14 . 1 1 59 59 LEU H H 59 8.395 8.395 7.777 0.618 25065 3421 1 14 . 1 1 60 60 PRO HA H 60 4.418 4.418 4.546 -0.128 25065 3422 1 14 . 1 1 60 60 PRO CB C 60 32.391 32.391 32.945 -0.554 25065 3423 1 14 . 1 1 61 61 ILE HA H 61 3.635 3.635 3.418 0.217 25065 3424 1 14 . 1 1 61 61 ILE CB C 61 37.572 37.572 37.783 -0.211 25065 3425 1 14 . 1 1 61 61 ILE H H 61 8.748 8.748 8.490 0.258 25065 3426 1 14 . 1 1 62 62 ARG HA H 62 3.995 3.995 4.225 -0.230 25065 3427 1 14 . 1 1 62 62 ARG CB C 62 29.519 29.519 29.231 0.288 25065 3428 1 14 . 1 1 62 62 ARG H H 62 8.419 8.419 8.464 -0.045 25065 3429 1 14 . 1 1 63 63 GLN HA H 63 4.027 4.027 4.122 -0.095 25065 3430 1 14 . 1 1 63 63 GLN CB C 63 28.519 28.519 28.678 -0.160 25065 3431 1 14 . 1 1 63 63 GLN H H 63 7.443 7.443 7.641 -0.198 25065 3432 1 14 . 1 1 64 64 LEU HA H 64 3.834 3.834 3.959 -0.125 25065 3433 1 14 . 1 1 64 64 LEU CB C 64 40.786 40.786 41.649 -0.863 25065 3434 1 14 . 1 1 64 64 LEU H H 64 7.261 7.261 7.262 -0.001 25065 3435 1 14 . 1 1 65 65 PHE CB C 65 38.158 38.158 38.706 -0.548 25065 3436 1 14 . 1 1 65 65 PHE H H 65 7.405 7.405 7.634 -0.229 25065 3437 1 14 . 1 1 66 66 SER HA H 66 4.368 4.368 4.524 -0.156 25065 3438 1 14 . 1 1 66 66 SER CB C 66 63.456 63.456 63.771 -0.315 25065 3439 1 14 . 1 1 67 67 SER HA H 67 4.801 4.801 4.989 -0.188 25065 3440 1 14 . 1 1 67 67 SER CB C 67 64.236 64.236 63.901 0.335 25065 3441 1 14 . 1 1 67 67 SER H H 67 7.679 7.679 7.583 0.096 25065 3442 1 14 . 1 1 68 68 PRO HA H 68 4.982 4.982 4.783 0.199 25065 3443 1 14 . 1 1 68 68 PRO CB C 68 32.626 32.626 32.349 0.277 25065 3444 1 14 . 1 1 69 69 THR HA H 69 5.519 5.519 5.210 0.309 25065 3445 1 14 . 1 1 69 69 THR CA C 69 58.316 58.316 58.841 -0.525 25065 3446 1 14 . 1 1 69 69 THR H H 69 8.253 8.253 7.766 0.487 25065 3447 1 14 . 1 1 70 70 PRO HA H 70 3.787 3.787 3.883 -0.096 25065 3448 1 14 . 1 1 70 70 PRO CA C 70 65.995 65.995 65.403 0.592 25065 3449 1 14 . 1 1 70 70 PRO CB C 70 32.865 32.865 31.212 1.653 25065 3450 1 14 . 1 1 71 71 ALA HA H 71 4.122 4.122 4.050 0.072 25065 3451 1 14 . 1 1 71 71 ALA CA C 71 55.368 55.368 54.993 0.374 25065 3452 1 14 . 1 1 71 71 ALA CB C 71 18.613 18.613 18.206 0.407 25065 3453 1 14 . 1 1 71 71 ALA H H 71 8.775 8.775 8.002 0.773 25065 3454 1 14 . 1 1 72 72 GLY H H 72 8.186 8.186 7.443 0.743 25065 3455 1 14 . 1 1 73 73 VAL HA H 73 3.565 3.565 3.606 -0.041 25065 3456 1 14 . 1 1 73 73 VAL CA C 73 66.671 66.671 65.896 0.775 25065 3457 1 14 . 1 1 73 73 VAL CB C 73 31.440 31.440 31.651 -0.211 25065 3458 1 14 . 1 1 73 73 VAL H H 73 9.142 9.142 7.751 1.391 25065 3459 1 14 . 1 1 74 74 ALA HA H 74 3.772 3.772 4.006 -0.234 25065 3460 1 14 . 1 1 74 74 ALA CA C 74 55.788 55.788 55.314 0.474 25065 3461 1 14 . 1 1 74 74 ALA CB C 74 18.080 18.080 18.256 -0.176 25065 3462 1 14 . 1 1 74 74 ALA H H 74 8.659 8.659 7.888 0.771 25065 3463 1 14 . 1 1 75 75 ARG HA H 75 4.043 4.043 4.055 -0.012 25065 3464 1 14 . 1 1 75 75 ARG CA C 75 59.563 59.563 58.508 1.055 25065 3465 1 14 . 1 1 75 75 ARG CB C 75 30.311 30.311 29.912 0.399 25065 3466 1 14 . 1 1 75 75 ARG H H 75 7.694 7.694 7.693 0.001 25065 3467 1 14 . 1 1 76 76 ALA HA H 76 4.153 4.153 4.220 -0.067 25065 3468 1 14 . 1 1 76 76 ALA CA C 76 54.796 54.796 54.347 0.449 25065 3469 1 14 . 1 1 76 76 ALA CB C 76 17.493 17.493 18.683 -1.190 25065 3470 1 14 . 1 1 76 76 ALA H H 76 7.877 7.877 7.490 0.387 25065 3471 1 14 . 1 1 77 77 LEU HA H 77 3.974 3.974 4.069 -0.095 25065 3472 1 14 . 1 1 77 77 LEU H H 77 8.484 8.484 7.761 0.723 25065 3473 1 14 . 1 1 78 78 ALA HA H 78 4.192 4.192 3.822 0.370 25065 3474 1 14 . 1 1 78 78 ALA CB C 78 18.191 18.191 17.853 0.338 25065 3475 1 14 . 1 1 79 79 ALA HA H 79 4.193 4.193 3.990 0.203 25065 3476 1 14 . 1 1 79 79 ALA CA C 79 53.313 53.313 54.690 -1.377 25065 3477 1 14 . 1 1 79 79 ALA CB C 79 18.379 18.379 18.367 0.012 25065 3478 1 14 . 1 1 79 79 ALA H H 79 7.624 7.624 7.557 0.067 25065 3479 1 14 . 1 1 80 80 LYS HA H 80 4.241 4.241 4.068 0.173 25065 3480 1 14 . 1 1 80 80 LYS CA C 80 56.363 56.363 58.868 -2.505 25065 3481 1 14 . 1 1 80 80 LYS CB C 80 32.340 32.340 32.303 0.037 25065 3482 1 14 . 1 1 80 80 LYS H H 80 7.759 7.759 7.882 -0.123 25065 3483 1 14 . 1 1 81 81 SER H H 81 7.888 7.888 7.814 0.074 25065 3484 1 14 . 1 1 83 83 SER HA H 83 4.323 4.323 4.524 -0.201 25065 3485 1 14 . 1 1 83 83 SER CA C 83 58.644 58.644 57.557 1.087 25065 3486 1 14 . 1 1 83 83 SER CB C 83 63.434 63.434 64.246 -0.812 25065 3487 1 14 . 1 1 84 84 TRP HA H 84 4.645 4.645 4.806 -0.161 25065 3488 1 14 . 1 1 84 84 TRP CB C 84 29.473 29.473 29.879 -0.406 25065 3489 1 14 . 1 1 85 85 SER HA H 85 4.314 4.314 4.392 -0.078 25065 3490 1 14 . 1 1 85 85 SER CB C 85 63.726 63.726 64.340 -0.614 25065 3491 1 14 . 1 1 87 87 PRO HA H 87 4.323 4.323 4.395 -0.072 25065 3492 1 14 . 1 1 87 87 PRO CB C 87 31.915 31.915 32.380 -0.465 25065 3493 1 14 . 1 1 88 88 GLN HA H 88 4.242 4.242 4.548 -0.306 25065 3494 1 14 . 1 1 88 88 GLN CA C 88 55.771 55.771 54.816 0.954 25065 3495 1 14 . 1 1 88 88 GLN CB C 88 29.293 29.293 30.760 -1.467 25065 3496 1 14 . 1 1 89 89 PHE HA H 89 4.650 4.650 4.818 -0.168 25065 3497 1 14 . 1 1 89 89 PHE CB C 89 39.577 39.577 40.011 -0.435 25065 3498 1 14 . 1 1 90 90 GLU HA H 90 4.241 4.241 4.770 -0.529 25065 3499 1 14 . 1 1 90 90 GLU CA C 90 56.363 56.363 55.459 0.904 25065 3500 1 14 . 1 1 90 90 GLU CB C 90 30.354 30.354 31.347 -0.993 25065 3501 1 15 . 1 1 3 3 MET HA H 3 4.414 4.414 4.578 -0.164 25065 3502 1 15 . 1 1 3 3 MET H H 3 8.447 8.447 8.130 0.317 25065 3503 1 15 . 1 1 5 5 LYS HA H 5 4.253 4.253 4.384 -0.131 25065 3504 1 15 . 1 1 5 5 LYS CA C 5 55.810 55.810 55.748 0.062 25065 3505 1 15 . 1 1 6 6 ALA HA H 6 4.551 4.551 4.645 -0.094 25065 3506 1 15 . 1 1 6 6 ALA CB C 6 17.947 17.947 18.270 -0.323 25065 3507 1 15 . 1 1 6 6 ALA H H 6 8.400 8.400 8.592 -0.192 25065 3508 1 15 . 1 1 7 7 PRO HA H 7 4.318 4.318 4.506 -0.188 25065 3509 1 15 . 1 1 7 7 PRO CB C 7 31.974 31.974 33.019 -1.045 25065 3510 1 15 . 1 1 8 8 GLU HA H 8 4.366 4.366 4.378 -0.012 25065 3511 1 15 . 1 1 8 8 GLU CB C 8 30.764 30.764 31.889 -1.125 25065 3512 1 15 . 1 1 8 8 GLU H H 8 8.738 8.738 8.798 -0.060 25065 3513 1 15 . 1 1 9 9 SER HA H 9 4.521 4.521 4.530 -0.009 25065 3514 1 15 . 1 1 9 9 SER CB C 9 65.043 65.043 64.185 0.858 25065 3515 1 15 . 1 1 9 9 SER H H 9 8.724 8.724 8.126 0.598 25065 3516 1 15 . 1 1 10 10 ALA HA H 10 4.082 4.082 4.120 -0.039 25065 3517 1 15 . 1 1 10 10 ALA CB C 10 18.166 18.166 18.975 -0.809 25065 3518 1 15 . 1 1 10 10 ALA H H 10 8.547 8.547 8.747 -0.200 25065 3519 1 15 . 1 1 11 11 THR HA H 11 3.809 3.809 4.008 -0.199 25065 3520 1 15 . 1 1 11 11 THR CA C 11 66.711 66.711 65.786 0.925 25065 3521 1 15 . 1 1 11 11 THR CB C 11 68.400 68.400 68.791 -0.391 25065 3522 1 15 . 1 1 11 11 THR H H 11 8.186 8.186 7.831 0.355 25065 3523 1 15 . 1 1 12 12 GLU HA H 12 3.576 3.576 3.921 -0.345 25065 3524 1 15 . 1 1 12 12 GLU CA C 12 60.604 60.604 59.433 1.171 25065 3525 1 15 . 1 1 12 12 GLU CB C 12 29.805 29.805 29.330 0.475 25065 3526 1 15 . 1 1 12 12 GLU H H 12 8.073 8.073 8.019 0.054 25065 3527 1 15 . 1 1 13 13 LYS HA H 13 3.888 3.888 4.027 -0.139 25065 3528 1 15 . 1 1 13 13 LYS CA C 13 60.352 60.352 59.513 0.839 25065 3529 1 15 . 1 1 13 13 LYS CB C 13 32.257 32.257 32.016 0.241 25065 3530 1 15 . 1 1 13 13 LYS H H 13 8.180 8.180 7.618 0.562 25065 3531 1 15 . 1 1 14 14 VAL HA H 14 3.777 3.777 3.821 -0.044 25065 3532 1 15 . 1 1 14 14 VAL CA C 14 66.089 66.089 65.362 0.727 25065 3533 1 15 . 1 1 14 14 VAL CB C 14 31.861 31.861 31.719 0.142 25065 3534 1 15 . 1 1 14 14 VAL H H 14 7.760 7.760 7.428 0.332 25065 3535 1 15 . 1 1 15 15 LEU HA H 15 3.972 3.972 4.033 -0.061 25065 3536 1 15 . 1 1 15 15 LEU CB C 15 42.097 42.097 41.420 0.677 25065 3537 1 15 . 1 1 15 15 LEU H H 15 8.326 8.326 7.605 0.721 25065 3538 1 15 . 1 1 16 16 CYS HA H 16 3.638 3.638 3.747 -0.109 25065 3539 1 15 . 1 1 16 16 CYS CA C 16 65.055 65.055 63.491 1.564 25065 3540 1 15 . 1 1 16 16 CYS CB C 16 26.610 26.610 27.220 -0.610 25065 3541 1 15 . 1 1 16 16 CYS H H 16 8.531 8.531 8.229 0.302 25065 3542 1 15 . 1 1 17 17 ALA HA H 17 4.203 4.203 4.016 0.187 25065 3543 1 15 . 1 1 17 17 ALA CA C 17 55.289 55.289 55.215 0.074 25065 3544 1 15 . 1 1 17 17 ALA CB C 17 17.539 17.539 18.270 -0.731 25065 3545 1 15 . 1 1 17 17 ALA H H 17 7.629 7.629 7.592 0.037 25065 3546 1 15 . 1 1 18 18 LEU HA H 18 4.226 4.226 4.195 0.031 25065 3547 1 15 . 1 1 18 18 LEU CA C 18 57.699 57.699 57.886 -0.187 25065 3548 1 15 . 1 1 18 18 LEU CB C 18 42.382 42.382 40.837 1.545 25065 3549 1 15 . 1 1 18 18 LEU H H 18 8.673 8.673 8.145 0.528 25065 3550 1 15 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.367 -0.391 25065 3551 1 15 . 1 1 19 19 TYR CB C 19 39.575 39.575 37.311 2.264 25065 3552 1 15 . 1 1 19 19 TYR H H 19 9.180 9.180 8.399 0.781 25065 3553 1 15 . 1 1 20 20 ALA HA H 20 3.885 3.885 3.959 -0.074 25065 3554 1 15 . 1 1 20 20 ALA CA C 20 55.942 55.942 55.267 0.676 25065 3555 1 15 . 1 1 20 20 ALA CB C 20 17.847 17.847 18.099 -0.252 25065 3556 1 15 . 1 1 20 20 ALA H H 20 7.772 7.772 8.100 -0.328 25065 3557 1 15 . 1 1 21 21 GLU HA H 21 3.995 3.995 4.027 -0.032 25065 3558 1 15 . 1 1 21 21 GLU CA C 21 58.905 58.905 59.160 -0.255 25065 3559 1 15 . 1 1 21 21 GLU CB C 21 30.342 30.342 29.800 0.542 25065 3560 1 15 . 1 1 22 22 ILE HA H 22 3.917 3.917 3.927 -0.010 25065 3561 1 15 . 1 1 22 22 ILE CA C 22 61.642 61.642 63.596 -1.954 25065 3562 1 15 . 1 1 22 22 ILE CB C 22 37.107 37.107 38.269 -1.162 25065 3563 1 15 . 1 1 22 22 ILE H H 22 8.299 8.299 7.436 0.863 25065 3564 1 15 . 1 1 23 23 LEU HA H 23 4.134 4.134 4.310 -0.176 25065 3565 1 15 . 1 1 23 23 LEU CA C 23 55.302 55.302 55.194 0.107 25065 3566 1 15 . 1 1 23 23 LEU CB C 23 42.218 42.218 41.972 0.246 25065 3567 1 15 . 1 1 23 23 LEU H H 23 8.477 8.477 8.055 0.422 25065 3568 1 15 . 1 1 24 24 GLY CA C 24 46.801 46.801 45.707 1.094 25065 3569 1 15 . 1 1 24 24 GLY H H 24 7.853 7.853 8.028 -0.175 25065 3570 1 15 . 1 1 25 25 VAL HA H 25 4.590 4.590 4.528 0.062 25065 3571 1 15 . 1 1 25 25 VAL CB C 25 34.203 34.203 33.792 0.411 25065 3572 1 15 . 1 1 25 25 VAL H H 25 7.349 7.349 7.366 -0.017 25065 3573 1 15 . 1 1 26 26 GLU HA H 26 4.029 4.029 4.190 -0.161 25065 3574 1 15 . 1 1 26 26 GLU CA C 26 58.870 58.870 57.564 1.306 25065 3575 1 15 . 1 1 26 26 GLU CB C 26 30.613 30.613 30.106 0.507 25065 3576 1 15 . 1 1 26 26 GLU H H 26 8.416 8.416 8.557 -0.141 25065 3577 1 15 . 1 1 27 27 ARG HA H 27 4.464 4.464 4.474 -0.010 25065 3578 1 15 . 1 1 27 27 ARG CB C 27 32.007 32.007 32.699 -0.692 25065 3579 1 15 . 1 1 27 27 ARG H H 27 7.729 7.729 7.554 0.175 25065 3580 1 15 . 1 1 28 28 VAL HA H 28 4.077 4.077 4.367 -0.290 25065 3581 1 15 . 1 1 28 28 VAL CA C 28 61.719 61.719 60.996 0.723 25065 3582 1 15 . 1 1 28 28 VAL CB C 28 34.774 34.774 34.154 0.620 25065 3583 1 15 . 1 1 28 28 VAL H H 28 8.344 8.344 8.613 -0.269 25065 3584 1 15 . 1 1 29 29 GLY H H 29 9.223 9.223 9.074 0.149 25065 3585 1 15 . 1 1 30 30 VAL HA H 30 3.581 3.581 3.776 -0.195 25065 3586 1 15 . 1 1 30 30 VAL CA C 30 64.307 64.307 65.127 -0.820 25065 3587 1 15 . 1 1 30 30 VAL CB C 30 31.617 31.617 31.912 -0.295 25065 3588 1 15 . 1 1 30 30 VAL H H 30 8.155 8.155 8.396 -0.241 25065 3589 1 15 . 1 1 31 31 ASP HA H 31 5.041 5.041 4.663 0.378 25065 3590 1 15 . 1 1 31 31 ASP CB C 31 41.177 41.177 41.083 0.094 25065 3591 1 15 . 1 1 31 31 ASP H H 31 8.149 8.149 8.153 -0.004 25065 3592 1 15 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.675 -0.053 25065 3593 1 15 . 1 1 32 32 ASP CB C 32 41.799 41.799 41.216 0.583 25065 3594 1 15 . 1 1 32 32 ASP H H 32 7.289 7.289 7.688 -0.399 25065 3595 1 15 . 1 1 33 33 ALA HA H 33 4.093 4.093 4.386 -0.293 25065 3596 1 15 . 1 1 33 33 ALA CA C 33 51.549 51.549 51.784 -0.235 25065 3597 1 15 . 1 1 33 33 ALA CB C 33 19.554 19.554 19.837 -0.282 25065 3598 1 15 . 1 1 33 33 ALA H H 33 8.885 8.885 8.676 0.209 25065 3599 1 15 . 1 1 34 34 PHE HA H 34 3.956 3.956 3.947 0.009 25065 3600 1 15 . 1 1 34 34 PHE CA C 34 62.655 62.655 62.309 0.346 25065 3601 1 15 . 1 1 34 34 PHE CB C 34 40.196 40.196 39.286 0.910 25065 3602 1 15 . 1 1 34 34 PHE H H 34 8.409 8.409 8.522 -0.113 25065 3603 1 15 . 1 1 36 36 ASP HA H 36 4.494 4.494 4.486 0.008 25065 3604 1 15 . 1 1 36 36 ASP CB C 36 40.185 40.185 40.727 -0.542 25065 3605 1 15 . 1 1 37 37 LEU HA H 37 4.347 4.347 4.271 0.076 25065 3606 1 15 . 1 1 37 37 LEU CB C 37 43.535 43.535 42.132 1.403 25065 3607 1 15 . 1 1 37 37 LEU H H 37 7.059 7.059 7.792 -0.733 25065 3608 1 15 . 1 1 38 38 GLY CA C 38 44.575 44.575 44.872 -0.297 25065 3609 1 15 . 1 1 38 38 GLY H H 38 7.451 7.451 7.521 -0.070 25065 3610 1 15 . 1 1 39 39 GLY CA C 39 46.469 46.469 44.366 2.103 25065 3611 1 15 . 1 1 39 39 GLY H H 39 7.624 7.624 7.676 -0.052 25065 3612 1 15 . 1 1 40 40 SER HA H 40 4.936 4.936 4.822 0.114 25065 3613 1 15 . 1 1 40 40 SER CB C 40 66.690 66.690 64.954 1.736 25065 3614 1 15 . 1 1 40 40 SER H H 40 6.796 6.796 8.240 -1.444 25065 3615 1 15 . 1 1 42 42 ALA HA H 42 4.194 4.194 4.191 0.003 25065 3616 1 15 . 1 1 42 42 ALA CB C 42 18.306 18.306 17.957 0.349 25065 3617 1 15 . 1 1 43 43 LEU HA H 43 4.163 4.163 4.162 0.001 25065 3618 1 15 . 1 1 43 43 LEU CB C 43 41.833 41.833 41.505 0.328 25065 3619 1 15 . 1 1 44 44 ALA HA H 44 3.612 3.612 3.348 0.264 25065 3620 1 15 . 1 1 44 44 ALA CA C 44 54.838 54.838 55.013 -0.175 25065 3621 1 15 . 1 1 44 44 ALA CB C 44 18.153 18.153 18.137 0.016 25065 3622 1 15 . 1 1 44 44 ALA H H 44 8.864 8.864 8.691 0.173 25065 3623 1 15 . 1 1 45 45 MET HA H 45 4.200 4.200 3.909 0.291 25065 3624 1 15 . 1 1 45 45 MET CA C 45 58.019 58.019 59.709 -1.690 25065 3625 1 15 . 1 1 45 45 MET CB C 45 31.141 31.141 32.478 -1.337 25065 3626 1 15 . 1 1 45 45 MET H H 45 7.669 7.669 8.228 -0.559 25065 3627 1 15 . 1 1 46 46 ARG HA H 46 4.187 4.187 4.114 0.073 25065 3628 1 15 . 1 1 46 46 ARG CB C 46 29.748 29.748 29.520 0.228 25065 3629 1 15 . 1 1 46 46 ARG H H 46 7.239 7.239 7.875 -0.636 25065 3630 1 15 . 1 1 47 47 LEU HA H 47 3.914 3.914 4.073 -0.159 25065 3631 1 15 . 1 1 47 47 LEU CB C 47 41.255 41.255 41.185 0.070 25065 3632 1 15 . 1 1 47 47 LEU H H 47 8.227 8.227 8.172 0.055 25065 3633 1 15 . 1 1 48 48 ILE HA H 48 3.552 3.552 3.559 -0.007 25065 3634 1 15 . 1 1 48 48 ILE CA C 48 65.226 65.226 65.205 0.021 25065 3635 1 15 . 1 1 48 48 ILE CB C 48 37.672 37.672 37.338 0.334 25065 3636 1 15 . 1 1 48 48 ILE H H 48 8.534 8.534 7.825 0.709 25065 3637 1 15 . 1 1 49 49 ALA HA H 49 4.199 4.199 4.041 0.158 25065 3638 1 15 . 1 1 49 49 ALA CB C 49 17.884 17.884 18.265 -0.381 25065 3639 1 15 . 1 1 49 49 ALA H H 49 7.620 7.620 7.843 -0.223 25065 3640 1 15 . 1 1 50 50 ARG HA H 50 4.240 4.240 4.118 0.122 25065 3641 1 15 . 1 1 50 50 ARG H H 50 7.973 7.973 8.331 -0.358 25065 3642 1 15 . 1 1 51 51 ILE HA H 51 3.368 3.368 3.732 -0.364 25065 3643 1 15 . 1 1 51 51 ILE CA C 51 66.422 66.422 65.484 0.938 25065 3644 1 15 . 1 1 51 51 ILE CB C 51 37.825 37.825 37.549 0.276 25065 3645 1 15 . 1 1 51 51 ILE H H 51 8.862 8.862 8.323 0.539 25065 3646 1 15 . 1 1 52 52 ARG HA H 52 4.061 4.061 4.300 -0.239 25065 3647 1 15 . 1 1 52 52 ARG CA C 52 59.614 59.614 58.407 1.207 25065 3648 1 15 . 1 1 52 52 ARG CB C 52 29.519 29.519 29.417 0.102 25065 3649 1 15 . 1 1 52 52 ARG H H 52 7.861 7.861 7.811 0.050 25065 3650 1 15 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.149 -0.180 25065 3651 1 15 . 1 1 53 53 GLU CA C 53 59.311 59.311 58.903 0.408 25065 3652 1 15 . 1 1 53 53 GLU CB C 53 30.277 30.277 29.598 0.679 25065 3653 1 15 . 1 1 53 53 GLU H H 53 7.847 7.847 7.711 0.136 25065 3654 1 15 . 1 1 54 54 GLU HA H 54 4.338 4.338 4.232 0.106 25065 3655 1 15 . 1 1 54 54 GLU CB C 54 30.642 30.642 30.555 0.087 25065 3656 1 15 . 1 1 54 54 GLU H H 54 8.514 8.514 7.984 0.530 25065 3657 1 15 . 1 1 55 55 LEU HA H 55 4.680 4.680 4.585 0.095 25065 3658 1 15 . 1 1 55 55 LEU CB C 55 43.328 43.328 43.003 0.325 25065 3659 1 15 . 1 1 55 55 LEU H H 55 8.658 8.658 8.345 0.313 25065 3660 1 15 . 1 1 56 56 GLY CA C 56 46.596 46.596 45.961 0.635 25065 3661 1 15 . 1 1 56 56 GLY H H 56 7.693 7.693 7.954 -0.261 25065 3662 1 15 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.511 -0.094 25065 3663 1 15 . 1 1 57 57 VAL CB C 57 35.473 35.473 34.874 0.599 25065 3664 1 15 . 1 1 57 57 VAL H H 57 6.534 6.534 7.172 -0.638 25065 3665 1 15 . 1 1 58 58 ASP HA H 58 4.675 4.675 4.749 -0.074 25065 3666 1 15 . 1 1 58 58 ASP CB C 58 41.821 41.821 43.447 -1.626 25065 3667 1 15 . 1 1 58 58 ASP H H 58 8.555 8.555 8.286 0.269 25065 3668 1 15 . 1 1 59 59 LEU HA H 59 4.537 4.537 4.688 -0.151 25065 3669 1 15 . 1 1 59 59 LEU CB C 59 44.310 44.310 44.307 0.003 25065 3670 1 15 . 1 1 59 59 LEU H H 59 8.395 8.395 8.276 0.119 25065 3671 1 15 . 1 1 60 60 PRO HA H 60 4.418 4.418 4.665 -0.247 25065 3672 1 15 . 1 1 60 60 PRO CB C 60 32.391 32.391 32.839 -0.448 25065 3673 1 15 . 1 1 61 61 ILE HA H 61 3.635 3.635 3.855 -0.220 25065 3674 1 15 . 1 1 61 61 ILE CB C 61 37.572 37.572 38.139 -0.567 25065 3675 1 15 . 1 1 61 61 ILE H H 61 8.748 8.748 8.597 0.151 25065 3676 1 15 . 1 1 62 62 ARG HA H 62 3.995 3.995 3.989 0.006 25065 3677 1 15 . 1 1 62 62 ARG CB C 62 29.519 29.519 29.593 -0.074 25065 3678 1 15 . 1 1 62 62 ARG H H 62 8.419 8.419 8.375 0.044 25065 3679 1 15 . 1 1 63 63 GLN HA H 63 4.027 4.027 4.227 -0.200 25065 3680 1 15 . 1 1 63 63 GLN CB C 63 28.519 28.519 28.054 0.465 25065 3681 1 15 . 1 1 63 63 GLN H H 63 7.443 7.443 7.841 -0.398 25065 3682 1 15 . 1 1 64 64 LEU HA H 64 3.834 3.834 4.025 -0.191 25065 3683 1 15 . 1 1 64 64 LEU CB C 64 40.786 40.786 42.008 -1.222 25065 3684 1 15 . 1 1 64 64 LEU H H 64 7.261 7.261 7.765 -0.504 25065 3685 1 15 . 1 1 65 65 PHE CB C 65 38.158 38.158 38.880 -0.722 25065 3686 1 15 . 1 1 65 65 PHE H H 65 7.405 7.405 8.263 -0.858 25065 3687 1 15 . 1 1 66 66 SER HA H 66 4.368 4.368 4.549 -0.181 25065 3688 1 15 . 1 1 66 66 SER CB C 66 63.456 63.456 64.349 -0.893 25065 3689 1 15 . 1 1 67 67 SER HA H 67 4.801 4.801 4.853 -0.052 25065 3690 1 15 . 1 1 67 67 SER CB C 67 64.236 64.236 63.507 0.729 25065 3691 1 15 . 1 1 67 67 SER H H 67 7.679 7.679 7.597 0.082 25065 3692 1 15 . 1 1 68 68 PRO HA H 68 4.982 4.982 4.684 0.298 25065 3693 1 15 . 1 1 68 68 PRO CB C 68 32.626 32.626 31.833 0.793 25065 3694 1 15 . 1 1 69 69 THR HA H 69 5.519 5.519 5.212 0.307 25065 3695 1 15 . 1 1 69 69 THR CA C 69 58.316 58.316 59.197 -0.880 25065 3696 1 15 . 1 1 69 69 THR H H 69 8.253 8.253 7.585 0.668 25065 3697 1 15 . 1 1 70 70 PRO HA H 70 3.787 3.787 3.824 -0.037 25065 3698 1 15 . 1 1 70 70 PRO CA C 70 65.995 65.995 65.641 0.353 25065 3699 1 15 . 1 1 70 70 PRO CB C 70 32.865 32.865 31.244 1.621 25065 3700 1 15 . 1 1 71 71 ALA HA H 71 4.122 4.122 4.191 -0.069 25065 3701 1 15 . 1 1 71 71 ALA CA C 71 55.368 55.368 54.998 0.370 25065 3702 1 15 . 1 1 71 71 ALA CB C 71 18.613 18.613 18.178 0.435 25065 3703 1 15 . 1 1 71 71 ALA H H 71 8.775 8.775 8.018 0.757 25065 3704 1 15 . 1 1 72 72 GLY H H 72 8.186 8.186 7.577 0.609 25065 3705 1 15 . 1 1 73 73 VAL HA H 73 3.565 3.565 3.766 -0.201 25065 3706 1 15 . 1 1 73 73 VAL CA C 73 66.671 66.671 65.104 1.567 25065 3707 1 15 . 1 1 73 73 VAL CB C 73 31.440 31.440 30.844 0.596 25065 3708 1 15 . 1 1 73 73 VAL H H 73 9.142 9.142 8.157 0.985 25065 3709 1 15 . 1 1 74 74 ALA HA H 74 3.772 3.772 3.976 -0.204 25065 3710 1 15 . 1 1 74 74 ALA CA C 74 55.788 55.788 55.549 0.239 25065 3711 1 15 . 1 1 74 74 ALA CB C 74 18.080 18.080 18.330 -0.250 25065 3712 1 15 . 1 1 74 74 ALA H H 74 8.659 8.659 8.381 0.278 25065 3713 1 15 . 1 1 75 75 ARG HA H 75 4.043 4.043 4.070 -0.027 25065 3714 1 15 . 1 1 75 75 ARG CA C 75 59.563 59.563 58.775 0.788 25065 3715 1 15 . 1 1 75 75 ARG CB C 75 30.311 30.311 29.860 0.451 25065 3716 1 15 . 1 1 75 75 ARG H H 75 7.694 7.694 7.773 -0.079 25065 3717 1 15 . 1 1 76 76 ALA HA H 76 4.153 4.153 4.155 -0.002 25065 3718 1 15 . 1 1 76 76 ALA CA C 76 54.796 54.796 54.647 0.149 25065 3719 1 15 . 1 1 76 76 ALA CB C 76 17.493 17.493 18.356 -0.863 25065 3720 1 15 . 1 1 76 76 ALA H H 76 7.877 7.877 7.533 0.344 25065 3721 1 15 . 1 1 77 77 LEU HA H 77 3.974 3.974 3.938 0.036 25065 3722 1 15 . 1 1 77 77 LEU H H 77 8.484 8.484 8.209 0.275 25065 3723 1 15 . 1 1 78 78 ALA HA H 78 4.192 4.192 4.002 0.190 25065 3724 1 15 . 1 1 78 78 ALA CB C 78 18.191 18.191 18.183 0.008 25065 3725 1 15 . 1 1 79 79 ALA HA H 79 4.193 4.193 4.074 0.119 25065 3726 1 15 . 1 1 79 79 ALA CA C 79 53.313 53.313 54.728 -1.415 25065 3727 1 15 . 1 1 79 79 ALA CB C 79 18.379 18.379 18.317 0.062 25065 3728 1 15 . 1 1 79 79 ALA H H 79 7.624 7.624 7.618 0.006 25065 3729 1 15 . 1 1 80 80 LYS HA H 80 4.241 4.241 4.014 0.227 25065 3730 1 15 . 1 1 80 80 LYS CA C 80 56.363 56.363 59.116 -2.753 25065 3731 1 15 . 1 1 80 80 LYS CB C 80 32.340 32.340 32.256 0.084 25065 3732 1 15 . 1 1 80 80 LYS H H 80 7.759 7.759 7.694 0.065 25065 3733 1 15 . 1 1 81 81 SER H H 81 7.888 7.888 7.429 0.459 25065 3734 1 15 . 1 1 83 83 SER HA H 83 4.323 4.323 4.454 -0.131 25065 3735 1 15 . 1 1 83 83 SER CA C 83 58.644 58.644 57.862 0.782 25065 3736 1 15 . 1 1 83 83 SER CB C 83 63.434 63.434 64.072 -0.638 25065 3737 1 15 . 1 1 84 84 TRP HA H 84 4.645 4.645 4.502 0.143 25065 3738 1 15 . 1 1 84 84 TRP CB C 84 29.473 29.473 29.720 -0.247 25065 3739 1 15 . 1 1 85 85 SER HA H 85 4.314 4.314 4.440 -0.126 25065 3740 1 15 . 1 1 85 85 SER CB C 85 63.726 63.726 64.239 -0.513 25065 3741 1 15 . 1 1 87 87 PRO HA H 87 4.323 4.323 4.391 -0.068 25065 3742 1 15 . 1 1 87 87 PRO CB C 87 31.915 31.915 33.226 -1.311 25065 3743 1 15 . 1 1 88 88 GLN HA H 88 4.242 4.242 4.306 -0.064 25065 3744 1 15 . 1 1 88 88 GLN CA C 88 55.771 55.771 54.430 1.341 25065 3745 1 15 . 1 1 88 88 GLN CB C 88 29.293 29.293 31.335 -2.042 25065 3746 1 15 . 1 1 89 89 PHE HA H 89 4.650 4.650 4.540 0.110 25065 3747 1 15 . 1 1 89 89 PHE CB C 89 39.577 39.577 39.732 -0.155 25065 3748 1 15 . 1 1 90 90 GLU HA H 90 4.241 4.241 4.398 -0.157 25065 3749 1 15 . 1 1 90 90 GLU CA C 90 56.363 56.363 56.773 -0.410 25065 3750 1 15 . 1 1 90 90 GLU CB C 90 30.354 30.354 30.559 -0.205 25065 3751 1 16 . 1 1 3 3 MET HA H 3 4.414 4.414 4.564 -0.150 25065 3752 1 16 . 1 1 3 3 MET H H 3 8.447 8.447 8.784 -0.337 25065 3753 1 16 . 1 1 5 5 LYS HA H 5 4.253 4.253 4.368 -0.115 25065 3754 1 16 . 1 1 5 5 LYS CA C 5 55.810 55.810 56.136 -0.326 25065 3755 1 16 . 1 1 6 6 ALA HA H 6 4.551 4.551 4.508 0.043 25065 3756 1 16 . 1 1 6 6 ALA CB C 6 17.947 17.947 18.418 -0.471 25065 3757 1 16 . 1 1 6 6 ALA H H 6 8.400 8.400 8.477 -0.077 25065 3758 1 16 . 1 1 7 7 PRO HA H 7 4.318 4.318 4.352 -0.034 25065 3759 1 16 . 1 1 7 7 PRO CB C 7 31.974 31.974 32.986 -1.012 25065 3760 1 16 . 1 1 8 8 GLU HA H 8 4.366 4.366 4.226 0.140 25065 3761 1 16 . 1 1 8 8 GLU CB C 8 30.764 30.764 30.471 0.293 25065 3762 1 16 . 1 1 8 8 GLU H H 8 8.738 8.738 8.926 -0.188 25065 3763 1 16 . 1 1 9 9 SER HA H 9 4.521 4.521 4.533 -0.012 25065 3764 1 16 . 1 1 9 9 SER CB C 9 65.043 65.043 64.235 0.808 25065 3765 1 16 . 1 1 9 9 SER H H 9 8.724 8.724 8.508 0.216 25065 3766 1 16 . 1 1 10 10 ALA HA H 10 4.082 4.082 4.090 -0.008 25065 3767 1 16 . 1 1 10 10 ALA CB C 10 18.166 18.166 18.323 -0.157 25065 3768 1 16 . 1 1 10 10 ALA H H 10 8.547 8.547 8.858 -0.311 25065 3769 1 16 . 1 1 11 11 THR HA H 11 3.809 3.809 4.011 -0.202 25065 3770 1 16 . 1 1 11 11 THR CA C 11 66.711 66.711 66.060 0.651 25065 3771 1 16 . 1 1 11 11 THR CB C 11 68.400 68.400 68.137 0.263 25065 3772 1 16 . 1 1 11 11 THR H H 11 8.186 8.186 8.181 0.005 25065 3773 1 16 . 1 1 12 12 GLU HA H 12 3.576 3.576 3.922 -0.346 25065 3774 1 16 . 1 1 12 12 GLU CA C 12 60.604 60.604 59.283 1.321 25065 3775 1 16 . 1 1 12 12 GLU CB C 12 29.805 29.805 29.155 0.650 25065 3776 1 16 . 1 1 12 12 GLU H H 12 8.073 8.073 7.954 0.119 25065 3777 1 16 . 1 1 13 13 LYS HA H 13 3.888 3.888 4.048 -0.160 25065 3778 1 16 . 1 1 13 13 LYS CA C 13 60.352 60.352 59.503 0.849 25065 3779 1 16 . 1 1 13 13 LYS CB C 13 32.257 32.257 32.124 0.133 25065 3780 1 16 . 1 1 13 13 LYS H H 13 8.180 8.180 7.641 0.539 25065 3781 1 16 . 1 1 14 14 VAL HA H 14 3.777 3.777 3.899 -0.122 25065 3782 1 16 . 1 1 14 14 VAL CA C 14 66.089 66.089 65.302 0.787 25065 3783 1 16 . 1 1 14 14 VAL CB C 14 31.861 31.861 31.858 0.003 25065 3784 1 16 . 1 1 14 14 VAL H H 14 7.760 7.760 7.541 0.219 25065 3785 1 16 . 1 1 15 15 LEU HA H 15 3.972 3.972 4.090 -0.118 25065 3786 1 16 . 1 1 15 15 LEU CB C 15 42.097 42.097 41.596 0.501 25065 3787 1 16 . 1 1 15 15 LEU H H 15 8.326 8.326 7.765 0.561 25065 3788 1 16 . 1 1 16 16 CYS HA H 16 3.638 3.638 3.885 -0.247 25065 3789 1 16 . 1 1 16 16 CYS CA C 16 65.055 65.055 64.315 0.740 25065 3790 1 16 . 1 1 16 16 CYS CB C 16 26.610 26.610 26.435 0.175 25065 3791 1 16 . 1 1 16 16 CYS H H 16 8.531 8.531 8.533 -0.002 25065 3792 1 16 . 1 1 17 17 ALA HA H 17 4.203 4.203 4.028 0.175 25065 3793 1 16 . 1 1 17 17 ALA CA C 17 55.289 55.289 55.411 -0.122 25065 3794 1 16 . 1 1 17 17 ALA CB C 17 17.539 17.539 18.238 -0.699 25065 3795 1 16 . 1 1 17 17 ALA H H 17 7.629 7.629 7.617 0.012 25065 3796 1 16 . 1 1 18 18 LEU HA H 18 4.226 4.226 4.173 0.053 25065 3797 1 16 . 1 1 18 18 LEU CA C 18 57.699 57.699 57.294 0.405 25065 3798 1 16 . 1 1 18 18 LEU CB C 18 42.382 42.382 40.563 1.819 25065 3799 1 16 . 1 1 18 18 LEU H H 18 8.673 8.673 7.988 0.685 25065 3800 1 16 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.252 -0.276 25065 3801 1 16 . 1 1 19 19 TYR CB C 19 39.575 39.575 37.579 1.996 25065 3802 1 16 . 1 1 19 19 TYR H H 19 9.180 9.180 8.457 0.723 25065 3803 1 16 . 1 1 20 20 ALA HA H 20 3.885 3.885 3.960 -0.075 25065 3804 1 16 . 1 1 20 20 ALA CA C 20 55.942 55.942 55.333 0.609 25065 3805 1 16 . 1 1 20 20 ALA CB C 20 17.847 17.847 18.151 -0.304 25065 3806 1 16 . 1 1 20 20 ALA H H 20 7.772 7.772 8.595 -0.823 25065 3807 1 16 . 1 1 21 21 GLU HA H 21 3.995 3.995 4.051 -0.057 25065 3808 1 16 . 1 1 21 21 GLU CA C 21 58.905 58.905 59.137 -0.232 25065 3809 1 16 . 1 1 21 21 GLU CB C 21 30.342 30.342 29.815 0.527 25065 3810 1 16 . 1 1 22 22 ILE HA H 22 3.917 3.917 3.904 0.013 25065 3811 1 16 . 1 1 22 22 ILE CA C 22 61.642 61.642 64.095 -2.453 25065 3812 1 16 . 1 1 22 22 ILE CB C 22 37.107 37.107 38.511 -1.404 25065 3813 1 16 . 1 1 22 22 ILE H H 22 8.299 8.299 7.425 0.874 25065 3814 1 16 . 1 1 23 23 LEU HA H 23 4.134 4.134 4.167 -0.033 25065 3815 1 16 . 1 1 23 23 LEU CA C 23 55.302 55.302 55.467 -0.165 25065 3816 1 16 . 1 1 23 23 LEU CB C 23 42.218 42.218 42.365 -0.147 25065 3817 1 16 . 1 1 23 23 LEU H H 23 8.477 8.477 7.943 0.534 25065 3818 1 16 . 1 1 24 24 GLY CA C 24 46.801 46.801 45.357 1.444 25065 3819 1 16 . 1 1 24 24 GLY H H 24 7.853 7.853 8.208 -0.355 25065 3820 1 16 . 1 1 25 25 VAL HA H 25 4.590 4.590 4.523 0.067 25065 3821 1 16 . 1 1 25 25 VAL CB C 25 34.203 34.203 33.542 0.661 25065 3822 1 16 . 1 1 25 25 VAL H H 25 7.349 7.349 7.391 -0.042 25065 3823 1 16 . 1 1 26 26 GLU HA H 26 4.029 4.029 4.221 -0.192 25065 3824 1 16 . 1 1 26 26 GLU CA C 26 58.870 58.870 57.345 1.525 25065 3825 1 16 . 1 1 26 26 GLU CB C 26 30.613 30.613 30.064 0.548 25065 3826 1 16 . 1 1 26 26 GLU H H 26 8.416 8.416 8.586 -0.170 25065 3827 1 16 . 1 1 27 27 ARG HA H 27 4.464 4.464 4.539 -0.075 25065 3828 1 16 . 1 1 27 27 ARG CB C 27 32.007 32.007 32.761 -0.754 25065 3829 1 16 . 1 1 27 27 ARG H H 27 7.729 7.729 7.720 0.009 25065 3830 1 16 . 1 1 28 28 VAL HA H 28 4.077 4.077 4.560 -0.483 25065 3831 1 16 . 1 1 28 28 VAL CA C 28 61.719 61.719 60.693 1.026 25065 3832 1 16 . 1 1 28 28 VAL CB C 28 34.774 34.774 34.752 0.022 25065 3833 1 16 . 1 1 28 28 VAL H H 28 8.344 8.344 8.465 -0.121 25065 3834 1 16 . 1 1 29 29 GLY H H 29 9.223 9.223 8.992 0.231 25065 3835 1 16 . 1 1 30 30 VAL HA H 30 3.581 3.581 3.958 -0.377 25065 3836 1 16 . 1 1 30 30 VAL CA C 30 64.307 64.307 63.364 0.943 25065 3837 1 16 . 1 1 30 30 VAL CB C 30 31.617 31.617 32.218 -0.601 25065 3838 1 16 . 1 1 30 30 VAL H H 30 8.155 8.155 8.415 -0.260 25065 3839 1 16 . 1 1 31 31 ASP HA H 31 5.041 5.041 4.802 0.239 25065 3840 1 16 . 1 1 31 31 ASP CB C 31 41.177 41.177 41.050 0.127 25065 3841 1 16 . 1 1 31 31 ASP H H 31 8.149 8.149 8.358 -0.209 25065 3842 1 16 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.673 -0.051 25065 3843 1 16 . 1 1 32 32 ASP CB C 32 41.799 41.799 40.831 0.968 25065 3844 1 16 . 1 1 32 32 ASP H H 32 7.289 7.289 7.414 -0.125 25065 3845 1 16 . 1 1 33 33 ALA HA H 33 4.093 4.093 4.552 -0.459 25065 3846 1 16 . 1 1 33 33 ALA CA C 33 51.549 51.549 51.827 -0.278 25065 3847 1 16 . 1 1 33 33 ALA CB C 33 19.554 19.554 19.942 -0.388 25065 3848 1 16 . 1 1 33 33 ALA H H 33 8.885 8.885 8.577 0.308 25065 3849 1 16 . 1 1 34 34 PHE HA H 34 3.956 3.956 4.086 -0.130 25065 3850 1 16 . 1 1 34 34 PHE CA C 34 62.655 62.655 62.345 0.310 25065 3851 1 16 . 1 1 34 34 PHE CB C 34 40.196 40.196 39.398 0.798 25065 3852 1 16 . 1 1 34 34 PHE H H 34 8.409 8.409 8.975 -0.566 25065 3853 1 16 . 1 1 36 36 ASP HA H 36 4.494 4.494 4.453 0.041 25065 3854 1 16 . 1 1 36 36 ASP CB C 36 40.185 40.185 40.962 -0.777 25065 3855 1 16 . 1 1 37 37 LEU HA H 37 4.347 4.347 4.205 0.142 25065 3856 1 16 . 1 1 37 37 LEU CB C 37 43.535 43.535 42.061 1.474 25065 3857 1 16 . 1 1 37 37 LEU H H 37 7.059 7.059 7.541 -0.482 25065 3858 1 16 . 1 1 38 38 GLY CA C 38 44.575 44.575 44.679 -0.104 25065 3859 1 16 . 1 1 38 38 GLY H H 38 7.451 7.451 7.472 -0.021 25065 3860 1 16 . 1 1 39 39 GLY CA C 39 46.469 46.469 44.371 2.098 25065 3861 1 16 . 1 1 39 39 GLY H H 39 7.624 7.624 7.633 -0.009 25065 3862 1 16 . 1 1 40 40 SER HA H 40 4.936 4.936 4.874 0.062 25065 3863 1 16 . 1 1 40 40 SER CB C 40 66.690 66.690 66.307 0.383 25065 3864 1 16 . 1 1 40 40 SER H H 40 6.796 6.796 8.350 -1.554 25065 3865 1 16 . 1 1 42 42 ALA HA H 42 4.194 4.194 4.239 -0.045 25065 3866 1 16 . 1 1 42 42 ALA CB C 42 18.306 18.306 18.256 0.050 25065 3867 1 16 . 1 1 43 43 LEU HA H 43 4.163 4.163 4.128 0.035 25065 3868 1 16 . 1 1 43 43 LEU CB C 43 41.833 41.833 41.642 0.191 25065 3869 1 16 . 1 1 44 44 ALA HA H 44 3.612 3.612 3.332 0.280 25065 3870 1 16 . 1 1 44 44 ALA CA C 44 54.838 54.838 54.925 -0.087 25065 3871 1 16 . 1 1 44 44 ALA CB C 44 18.153 18.153 17.871 0.282 25065 3872 1 16 . 1 1 44 44 ALA H H 44 8.864 8.864 8.184 0.680 25065 3873 1 16 . 1 1 45 45 MET HA H 45 4.200 4.200 3.910 0.290 25065 3874 1 16 . 1 1 45 45 MET CA C 45 58.019 58.019 59.485 -1.466 25065 3875 1 16 . 1 1 45 45 MET CB C 45 31.141 31.141 32.488 -1.347 25065 3876 1 16 . 1 1 45 45 MET H H 45 7.669 7.669 7.829 -0.160 25065 3877 1 16 . 1 1 46 46 ARG HA H 46 4.187 4.187 4.054 0.133 25065 3878 1 16 . 1 1 46 46 ARG CB C 46 29.748 29.748 29.998 -0.250 25065 3879 1 16 . 1 1 46 46 ARG H H 46 7.239 7.239 7.724 -0.485 25065 3880 1 16 . 1 1 47 47 LEU HA H 47 3.914 3.914 4.048 -0.134 25065 3881 1 16 . 1 1 47 47 LEU CB C 47 41.255 41.255 41.645 -0.390 25065 3882 1 16 . 1 1 47 47 LEU H H 47 8.227 8.227 8.070 0.157 25065 3883 1 16 . 1 1 48 48 ILE HA H 48 3.552 3.552 3.497 0.055 25065 3884 1 16 . 1 1 48 48 ILE CA C 48 65.226 65.226 65.445 -0.219 25065 3885 1 16 . 1 1 48 48 ILE CB C 48 37.672 37.672 37.177 0.495 25065 3886 1 16 . 1 1 48 48 ILE H H 48 8.534 8.534 7.624 0.910 25065 3887 1 16 . 1 1 49 49 ALA HA H 49 4.199 4.199 3.950 0.249 25065 3888 1 16 . 1 1 49 49 ALA CB C 49 17.884 17.884 18.303 -0.419 25065 3889 1 16 . 1 1 49 49 ALA H H 49 7.620 7.620 7.732 -0.113 25065 3890 1 16 . 1 1 50 50 ARG HA H 50 4.240 4.240 4.124 0.116 25065 3891 1 16 . 1 1 50 50 ARG H H 50 7.973 7.973 8.025 -0.052 25065 3892 1 16 . 1 1 51 51 ILE HA H 51 3.368 3.368 3.679 -0.311 25065 3893 1 16 . 1 1 51 51 ILE CA C 51 66.422 66.422 65.511 0.910 25065 3894 1 16 . 1 1 51 51 ILE CB C 51 37.825 37.825 37.572 0.253 25065 3895 1 16 . 1 1 51 51 ILE H H 51 8.862 8.862 8.652 0.210 25065 3896 1 16 . 1 1 52 52 ARG HA H 52 4.061 4.061 4.306 -0.245 25065 3897 1 16 . 1 1 52 52 ARG CA C 52 59.614 59.614 58.851 0.763 25065 3898 1 16 . 1 1 52 52 ARG CB C 52 29.519 29.519 29.504 0.015 25065 3899 1 16 . 1 1 52 52 ARG H H 52 7.861 7.861 8.007 -0.146 25065 3900 1 16 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.124 -0.155 25065 3901 1 16 . 1 1 53 53 GLU CA C 53 59.311 59.311 58.837 0.474 25065 3902 1 16 . 1 1 53 53 GLU CB C 53 30.277 30.277 29.241 1.036 25065 3903 1 16 . 1 1 53 53 GLU H H 53 7.847 7.847 7.854 -0.007 25065 3904 1 16 . 1 1 54 54 GLU HA H 54 4.338 4.338 4.290 0.048 25065 3905 1 16 . 1 1 54 54 GLU CB C 54 30.642 30.642 30.409 0.233 25065 3906 1 16 . 1 1 54 54 GLU H H 54 8.514 8.514 7.925 0.589 25065 3907 1 16 . 1 1 55 55 LEU HA H 55 4.680 4.680 4.560 0.120 25065 3908 1 16 . 1 1 55 55 LEU CB C 55 43.328 43.328 42.955 0.373 25065 3909 1 16 . 1 1 55 55 LEU H H 55 8.658 8.658 8.189 0.469 25065 3910 1 16 . 1 1 56 56 GLY CA C 56 46.596 46.596 45.589 1.007 25065 3911 1 16 . 1 1 56 56 GLY H H 56 7.693 7.693 7.985 -0.292 25065 3912 1 16 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.549 -0.132 25065 3913 1 16 . 1 1 57 57 VAL CB C 57 35.473 35.473 34.685 0.788 25065 3914 1 16 . 1 1 57 57 VAL H H 57 6.534 6.534 6.979 -0.445 25065 3915 1 16 . 1 1 58 58 ASP HA H 58 4.675 4.675 4.834 -0.159 25065 3916 1 16 . 1 1 58 58 ASP CB C 58 41.821 41.821 42.974 -1.153 25065 3917 1 16 . 1 1 58 58 ASP H H 58 8.555 8.555 8.388 0.167 25065 3918 1 16 . 1 1 59 59 LEU HA H 59 4.537 4.537 4.815 -0.278 25065 3919 1 16 . 1 1 59 59 LEU CB C 59 44.310 44.310 45.944 -1.634 25065 3920 1 16 . 1 1 59 59 LEU H H 59 8.395 8.395 8.280 0.115 25065 3921 1 16 . 1 1 60 60 PRO HA H 60 4.418 4.418 4.752 -0.334 25065 3922 1 16 . 1 1 60 60 PRO CB C 60 32.391 32.391 32.773 -0.382 25065 3923 1 16 . 1 1 61 61 ILE HA H 61 3.635 3.635 3.377 0.258 25065 3924 1 16 . 1 1 61 61 ILE CB C 61 37.572 37.572 37.540 0.032 25065 3925 1 16 . 1 1 61 61 ILE H H 61 8.748 8.748 8.586 0.162 25065 3926 1 16 . 1 1 62 62 ARG HA H 62 3.995 3.995 4.148 -0.153 25065 3927 1 16 . 1 1 62 62 ARG CB C 62 29.519 29.519 29.709 -0.190 25065 3928 1 16 . 1 1 62 62 ARG H H 62 8.419 8.419 8.194 0.225 25065 3929 1 16 . 1 1 63 63 GLN HA H 63 4.027 4.027 4.165 -0.138 25065 3930 1 16 . 1 1 63 63 GLN CB C 63 28.519 28.519 28.365 0.154 25065 3931 1 16 . 1 1 63 63 GLN H H 63 7.443 7.443 7.629 -0.186 25065 3932 1 16 . 1 1 64 64 LEU HA H 64 3.834 3.834 3.946 -0.112 25065 3933 1 16 . 1 1 64 64 LEU CB C 64 40.786 40.786 41.557 -0.771 25065 3934 1 16 . 1 1 64 64 LEU H H 64 7.261 7.261 7.153 0.108 25065 3935 1 16 . 1 1 65 65 PHE CB C 65 38.158 38.158 38.311 -0.153 25065 3936 1 16 . 1 1 65 65 PHE H H 65 7.405 7.405 7.463 -0.058 25065 3937 1 16 . 1 1 66 66 SER HA H 66 4.368 4.368 4.478 -0.110 25065 3938 1 16 . 1 1 66 66 SER CB C 66 63.456 63.456 63.937 -0.481 25065 3939 1 16 . 1 1 67 67 SER HA H 67 4.801 4.801 4.916 -0.115 25065 3940 1 16 . 1 1 67 67 SER CB C 67 64.236 64.236 63.884 0.352 25065 3941 1 16 . 1 1 67 67 SER H H 67 7.679 7.679 7.425 0.254 25065 3942 1 16 . 1 1 68 68 PRO HA H 68 4.982 4.982 4.729 0.253 25065 3943 1 16 . 1 1 68 68 PRO CB C 68 32.626 32.626 32.131 0.495 25065 3944 1 16 . 1 1 69 69 THR HA H 69 5.519 5.519 5.293 0.226 25065 3945 1 16 . 1 1 69 69 THR CA C 69 58.316 58.316 58.897 -0.581 25065 3946 1 16 . 1 1 69 69 THR H H 69 8.253 8.253 7.709 0.544 25065 3947 1 16 . 1 1 70 70 PRO HA H 70 3.787 3.787 3.915 -0.128 25065 3948 1 16 . 1 1 70 70 PRO CA C 70 65.995 65.995 65.471 0.524 25065 3949 1 16 . 1 1 70 70 PRO CB C 70 32.865 32.865 31.272 1.593 25065 3950 1 16 . 1 1 71 71 ALA HA H 71 4.122 4.122 3.990 0.132 25065 3951 1 16 . 1 1 71 71 ALA CA C 71 55.368 55.368 54.969 0.398 25065 3952 1 16 . 1 1 71 71 ALA CB C 71 18.613 18.613 18.249 0.364 25065 3953 1 16 . 1 1 71 71 ALA H H 71 8.775 8.775 7.788 0.987 25065 3954 1 16 . 1 1 72 72 GLY H H 72 8.186 8.186 7.571 0.615 25065 3955 1 16 . 1 1 73 73 VAL HA H 73 3.565 3.565 3.727 -0.162 25065 3956 1 16 . 1 1 73 73 VAL CA C 73 66.671 66.671 65.293 1.378 25065 3957 1 16 . 1 1 73 73 VAL CB C 73 31.440 31.440 31.186 0.254 25065 3958 1 16 . 1 1 73 73 VAL H H 73 9.142 9.142 7.549 1.593 25065 3959 1 16 . 1 1 74 74 ALA HA H 74 3.772 3.772 4.018 -0.246 25065 3960 1 16 . 1 1 74 74 ALA CA C 74 55.788 55.788 55.311 0.477 25065 3961 1 16 . 1 1 74 74 ALA CB C 74 18.080 18.080 18.357 -0.277 25065 3962 1 16 . 1 1 74 74 ALA H H 74 8.659 8.659 7.942 0.717 25065 3963 1 16 . 1 1 75 75 ARG HA H 75 4.043 4.043 4.086 -0.043 25065 3964 1 16 . 1 1 75 75 ARG CA C 75 59.563 59.563 58.538 1.025 25065 3965 1 16 . 1 1 75 75 ARG CB C 75 30.311 30.311 29.941 0.370 25065 3966 1 16 . 1 1 75 75 ARG H H 75 7.694 7.694 7.559 0.135 25065 3967 1 16 . 1 1 76 76 ALA HA H 76 4.153 4.153 4.142 0.011 25065 3968 1 16 . 1 1 76 76 ALA CA C 76 54.796 54.796 54.379 0.417 25065 3969 1 16 . 1 1 76 76 ALA CB C 76 17.493 17.493 18.426 -0.933 25065 3970 1 16 . 1 1 76 76 ALA H H 76 7.877 7.877 7.491 0.386 25065 3971 1 16 . 1 1 77 77 LEU HA H 77 3.974 3.974 4.072 -0.098 25065 3972 1 16 . 1 1 77 77 LEU H H 77 8.484 8.484 7.951 0.533 25065 3973 1 16 . 1 1 78 78 ALA HA H 78 4.192 4.192 4.105 0.087 25065 3974 1 16 . 1 1 78 78 ALA CB C 78 18.191 18.191 17.988 0.204 25065 3975 1 16 . 1 1 79 79 ALA HA H 79 4.193 4.193 3.942 0.251 25065 3976 1 16 . 1 1 79 79 ALA CA C 79 53.313 53.313 55.205 -1.892 25065 3977 1 16 . 1 1 79 79 ALA CB C 79 18.379 18.379 18.468 -0.089 25065 3978 1 16 . 1 1 79 79 ALA H H 79 7.624 7.624 7.760 -0.136 25065 3979 1 16 . 1 1 80 80 LYS HA H 80 4.241 4.241 4.208 0.033 25065 3980 1 16 . 1 1 80 80 LYS CA C 80 56.363 56.363 58.414 -2.051 25065 3981 1 16 . 1 1 80 80 LYS CB C 80 32.340 32.340 31.767 0.573 25065 3982 1 16 . 1 1 80 80 LYS H H 80 7.759 7.759 7.846 -0.087 25065 3983 1 16 . 1 1 81 81 SER H H 81 7.888 7.888 7.786 0.102 25065 3984 1 16 . 1 1 83 83 SER HA H 83 4.323 4.323 4.790 -0.467 25065 3985 1 16 . 1 1 83 83 SER CA C 83 58.644 58.644 56.328 2.316 25065 3986 1 16 . 1 1 83 83 SER CB C 83 63.434 63.434 62.942 0.492 25065 3987 1 16 . 1 1 84 84 TRP HA H 84 4.645 4.645 4.616 0.029 25065 3988 1 16 . 1 1 84 84 TRP CB C 84 29.473 29.473 29.160 0.313 25065 3989 1 16 . 1 1 85 85 SER HA H 85 4.314 4.314 3.640 0.674 25065 3990 1 16 . 1 1 85 85 SER CB C 85 63.726 63.726 63.402 0.324 25065 3991 1 16 . 1 1 87 87 PRO HA H 87 4.323 4.323 4.472 -0.149 25065 3992 1 16 . 1 1 87 87 PRO CB C 87 31.915 31.915 32.897 -0.982 25065 3993 1 16 . 1 1 88 88 GLN HA H 88 4.242 4.242 4.106 0.136 25065 3994 1 16 . 1 1 88 88 GLN CA C 88 55.771 55.771 56.928 -1.157 25065 3995 1 16 . 1 1 88 88 GLN CB C 88 29.293 29.293 29.113 0.180 25065 3996 1 16 . 1 1 89 89 PHE HA H 89 4.650 4.650 4.709 -0.059 25065 3997 1 16 . 1 1 89 89 PHE CB C 89 39.577 39.577 41.355 -1.778 25065 3998 1 16 . 1 1 90 90 GLU HA H 90 4.241 4.241 4.251 -0.010 25065 3999 1 16 . 1 1 90 90 GLU CA C 90 56.363 56.363 56.985 -0.622 25065 4000 1 16 . 1 1 90 90 GLU CB C 90 30.354 30.354 30.095 0.259 25065 4001 1 17 . 1 1 3 3 MET HA H 3 4.414 4.414 4.592 -0.178 25065 4002 1 17 . 1 1 3 3 MET H H 3 8.447 8.447 7.682 0.765 25065 4003 1 17 . 1 1 5 5 LYS HA H 5 4.253 4.253 4.730 -0.477 25065 4004 1 17 . 1 1 5 5 LYS CA C 5 55.810 55.810 56.428 -0.618 25065 4005 1 17 . 1 1 6 6 ALA HA H 6 4.551 4.551 4.760 -0.209 25065 4006 1 17 . 1 1 6 6 ALA CB C 6 17.947 17.947 20.312 -2.365 25065 4007 1 17 . 1 1 6 6 ALA H H 6 8.400 8.400 8.302 0.098 25065 4008 1 17 . 1 1 7 7 PRO HA H 7 4.318 4.318 4.690 -0.372 25065 4009 1 17 . 1 1 7 7 PRO CB C 7 31.974 31.974 33.088 -1.114 25065 4010 1 17 . 1 1 8 8 GLU HA H 8 4.366 4.366 4.481 -0.115 25065 4011 1 17 . 1 1 8 8 GLU CB C 8 30.764 30.764 30.616 0.148 25065 4012 1 17 . 1 1 8 8 GLU H H 8 8.738 8.738 9.124 -0.386 25065 4013 1 17 . 1 1 9 9 SER HA H 9 4.521 4.521 4.393 0.128 25065 4014 1 17 . 1 1 9 9 SER CB C 9 65.043 65.043 63.746 1.297 25065 4015 1 17 . 1 1 9 9 SER H H 9 8.724 8.724 8.618 0.106 25065 4016 1 17 . 1 1 10 10 ALA HA H 10 4.082 4.082 4.110 -0.028 25065 4017 1 17 . 1 1 10 10 ALA CB C 10 18.166 18.166 18.750 -0.584 25065 4018 1 17 . 1 1 10 10 ALA H H 10 8.547 8.547 8.879 -0.332 25065 4019 1 17 . 1 1 11 11 THR HA H 11 3.809 3.809 3.951 -0.142 25065 4020 1 17 . 1 1 11 11 THR CA C 11 66.711 66.711 65.868 0.843 25065 4021 1 17 . 1 1 11 11 THR CB C 11 68.400 68.400 68.689 -0.289 25065 4022 1 17 . 1 1 11 11 THR H H 11 8.186 8.186 7.574 0.612 25065 4023 1 17 . 1 1 12 12 GLU HA H 12 3.576 3.576 3.955 -0.379 25065 4024 1 17 . 1 1 12 12 GLU CA C 12 60.604 60.604 59.428 1.176 25065 4025 1 17 . 1 1 12 12 GLU CB C 12 29.805 29.805 29.278 0.527 25065 4026 1 17 . 1 1 12 12 GLU H H 12 8.073 8.073 8.024 0.049 25065 4027 1 17 . 1 1 13 13 LYS HA H 13 3.888 3.888 4.026 -0.138 25065 4028 1 17 . 1 1 13 13 LYS CA C 13 60.352 60.352 59.559 0.793 25065 4029 1 17 . 1 1 13 13 LYS CB C 13 32.257 32.257 32.073 0.184 25065 4030 1 17 . 1 1 13 13 LYS H H 13 8.180 8.180 7.768 0.412 25065 4031 1 17 . 1 1 14 14 VAL HA H 14 3.777 3.777 3.901 -0.124 25065 4032 1 17 . 1 1 14 14 VAL CA C 14 66.089 66.089 65.045 1.044 25065 4033 1 17 . 1 1 14 14 VAL CB C 14 31.861 31.861 31.182 0.679 25065 4034 1 17 . 1 1 14 14 VAL H H 14 7.760 7.760 7.315 0.445 25065 4035 1 17 . 1 1 15 15 LEU HA H 15 3.972 3.972 4.022 -0.050 25065 4036 1 17 . 1 1 15 15 LEU CB C 15 42.097 42.097 41.323 0.774 25065 4037 1 17 . 1 1 15 15 LEU H H 15 8.326 8.326 7.933 0.393 25065 4038 1 17 . 1 1 16 16 CYS HA H 16 3.638 3.638 3.815 -0.177 25065 4039 1 17 . 1 1 16 16 CYS CA C 16 65.055 65.055 64.211 0.844 25065 4040 1 17 . 1 1 16 16 CYS CB C 16 26.610 26.610 26.496 0.114 25065 4041 1 17 . 1 1 16 16 CYS H H 16 8.531 8.531 8.230 0.301 25065 4042 1 17 . 1 1 17 17 ALA HA H 17 4.203 4.203 4.042 0.161 25065 4043 1 17 . 1 1 17 17 ALA CA C 17 55.289 55.289 55.301 -0.012 25065 4044 1 17 . 1 1 17 17 ALA CB C 17 17.539 17.539 18.285 -0.746 25065 4045 1 17 . 1 1 17 17 ALA H H 17 7.629 7.629 7.548 0.081 25065 4046 1 17 . 1 1 18 18 LEU HA H 18 4.226 4.226 4.158 0.068 25065 4047 1 17 . 1 1 18 18 LEU CA C 18 57.699 57.699 57.447 0.253 25065 4048 1 17 . 1 1 18 18 LEU CB C 18 42.382 42.382 40.669 1.713 25065 4049 1 17 . 1 1 18 18 LEU H H 18 8.673 8.673 8.243 0.430 25065 4050 1 17 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.349 -0.373 25065 4051 1 17 . 1 1 19 19 TYR CB C 19 39.575 39.575 37.294 2.281 25065 4052 1 17 . 1 1 19 19 TYR H H 19 9.180 9.180 8.378 0.802 25065 4053 1 17 . 1 1 20 20 ALA HA H 20 3.885 3.885 3.975 -0.090 25065 4054 1 17 . 1 1 20 20 ALA CA C 20 55.942 55.942 55.144 0.798 25065 4055 1 17 . 1 1 20 20 ALA CB C 20 17.847 17.847 18.035 -0.188 25065 4056 1 17 . 1 1 20 20 ALA H H 20 7.772 7.772 8.307 -0.535 25065 4057 1 17 . 1 1 21 21 GLU HA H 21 3.995 3.995 4.045 -0.050 25065 4058 1 17 . 1 1 21 21 GLU CA C 21 58.905 58.905 59.083 -0.178 25065 4059 1 17 . 1 1 21 21 GLU CB C 21 30.342 30.342 29.617 0.725 25065 4060 1 17 . 1 1 22 22 ILE HA H 22 3.917 3.917 3.942 -0.025 25065 4061 1 17 . 1 1 22 22 ILE CA C 22 61.642 61.642 63.597 -1.955 25065 4062 1 17 . 1 1 22 22 ILE CB C 22 37.107 37.107 38.562 -1.455 25065 4063 1 17 . 1 1 22 22 ILE H H 22 8.299 8.299 7.416 0.883 25065 4064 1 17 . 1 1 23 23 LEU HA H 23 4.134 4.134 4.259 -0.125 25065 4065 1 17 . 1 1 23 23 LEU CA C 23 55.302 55.302 55.279 0.023 25065 4066 1 17 . 1 1 23 23 LEU CB C 23 42.218 42.218 41.800 0.418 25065 4067 1 17 . 1 1 23 23 LEU H H 23 8.477 8.477 8.106 0.371 25065 4068 1 17 . 1 1 24 24 GLY CA C 24 46.801 46.801 45.704 1.097 25065 4069 1 17 . 1 1 24 24 GLY H H 24 7.853 7.853 8.175 -0.322 25065 4070 1 17 . 1 1 25 25 VAL HA H 25 4.590 4.590 4.478 0.112 25065 4071 1 17 . 1 1 25 25 VAL CB C 25 34.203 34.203 33.385 0.818 25065 4072 1 17 . 1 1 25 25 VAL H H 25 7.349 7.349 7.346 0.003 25065 4073 1 17 . 1 1 26 26 GLU HA H 26 4.029 4.029 4.184 -0.155 25065 4074 1 17 . 1 1 26 26 GLU CA C 26 58.870 58.870 58.343 0.527 25065 4075 1 17 . 1 1 26 26 GLU CB C 26 30.613 30.613 30.068 0.545 25065 4076 1 17 . 1 1 26 26 GLU H H 26 8.416 8.416 8.573 -0.157 25065 4077 1 17 . 1 1 27 27 ARG HA H 27 4.464 4.464 4.473 -0.009 25065 4078 1 17 . 1 1 27 27 ARG CB C 27 32.007 32.007 32.180 -0.173 25065 4079 1 17 . 1 1 27 27 ARG H H 27 7.729 7.729 7.609 0.120 25065 4080 1 17 . 1 1 28 28 VAL HA H 28 4.077 4.077 4.477 -0.400 25065 4081 1 17 . 1 1 28 28 VAL CA C 28 61.719 61.719 61.020 0.699 25065 4082 1 17 . 1 1 28 28 VAL CB C 28 34.774 34.774 34.609 0.165 25065 4083 1 17 . 1 1 28 28 VAL H H 28 8.344 8.344 8.448 -0.104 25065 4084 1 17 . 1 1 29 29 GLY H H 29 9.223 9.223 9.022 0.201 25065 4085 1 17 . 1 1 30 30 VAL HA H 30 3.581 3.581 3.895 -0.314 25065 4086 1 17 . 1 1 30 30 VAL CA C 30 64.307 64.307 63.547 0.760 25065 4087 1 17 . 1 1 30 30 VAL CB C 30 31.617 31.617 31.721 -0.104 25065 4088 1 17 . 1 1 30 30 VAL H H 30 8.155 8.155 8.503 -0.348 25065 4089 1 17 . 1 1 31 31 ASP HA H 31 5.041 5.041 4.839 0.202 25065 4090 1 17 . 1 1 31 31 ASP CB C 31 41.177 41.177 40.990 0.187 25065 4091 1 17 . 1 1 31 31 ASP H H 31 8.149 8.149 8.314 -0.165 25065 4092 1 17 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.699 -0.077 25065 4093 1 17 . 1 1 32 32 ASP CB C 32 41.799 41.799 41.082 0.717 25065 4094 1 17 . 1 1 32 32 ASP H H 32 7.289 7.289 7.716 -0.427 25065 4095 1 17 . 1 1 33 33 ALA HA H 33 4.093 4.093 4.599 -0.506 25065 4096 1 17 . 1 1 33 33 ALA CA C 33 51.549 51.549 51.495 0.054 25065 4097 1 17 . 1 1 33 33 ALA CB C 33 19.554 19.554 20.118 -0.564 25065 4098 1 17 . 1 1 33 33 ALA H H 33 8.885 8.885 8.596 0.289 25065 4099 1 17 . 1 1 34 34 PHE HA H 34 3.956 3.956 4.050 -0.094 25065 4100 1 17 . 1 1 34 34 PHE CA C 34 62.655 62.655 62.305 0.350 25065 4101 1 17 . 1 1 34 34 PHE CB C 34 40.196 40.196 39.483 0.713 25065 4102 1 17 . 1 1 34 34 PHE H H 34 8.409 8.409 8.542 -0.133 25065 4103 1 17 . 1 1 36 36 ASP HA H 36 4.494 4.494 4.351 0.143 25065 4104 1 17 . 1 1 36 36 ASP CB C 36 40.185 40.185 40.765 -0.580 25065 4105 1 17 . 1 1 37 37 LEU HA H 37 4.347 4.347 4.297 0.050 25065 4106 1 17 . 1 1 37 37 LEU CB C 37 43.535 43.535 42.130 1.405 25065 4107 1 17 . 1 1 37 37 LEU H H 37 7.059 7.059 7.753 -0.694 25065 4108 1 17 . 1 1 38 38 GLY CA C 38 44.575 44.575 44.750 -0.175 25065 4109 1 17 . 1 1 38 38 GLY H H 38 7.451 7.451 7.627 -0.176 25065 4110 1 17 . 1 1 39 39 GLY CA C 39 46.469 46.469 44.412 2.057 25065 4111 1 17 . 1 1 39 39 GLY H H 39 7.624 7.624 7.936 -0.312 25065 4112 1 17 . 1 1 40 40 SER HA H 40 4.936 4.936 4.813 0.123 25065 4113 1 17 . 1 1 40 40 SER CB C 40 66.690 66.690 66.474 0.216 25065 4114 1 17 . 1 1 40 40 SER H H 40 6.796 6.796 8.301 -1.505 25065 4115 1 17 . 1 1 42 42 ALA HA H 42 4.194 4.194 4.157 0.037 25065 4116 1 17 . 1 1 42 42 ALA CB C 42 18.306 18.306 17.930 0.376 25065 4117 1 17 . 1 1 43 43 LEU HA H 43 4.163 4.163 4.146 0.017 25065 4118 1 17 . 1 1 43 43 LEU CB C 43 41.833 41.833 41.501 0.332 25065 4119 1 17 . 1 1 44 44 ALA HA H 44 3.612 3.612 3.423 0.189 25065 4120 1 17 . 1 1 44 44 ALA CA C 44 54.838 54.838 54.889 -0.051 25065 4121 1 17 . 1 1 44 44 ALA CB C 44 18.153 18.153 18.056 0.097 25065 4122 1 17 . 1 1 44 44 ALA H H 44 8.864 8.864 8.547 0.317 25065 4123 1 17 . 1 1 45 45 MET HA H 45 4.200 4.200 4.005 0.195 25065 4124 1 17 . 1 1 45 45 MET CA C 45 58.019 58.019 59.396 -1.377 25065 4125 1 17 . 1 1 45 45 MET CB C 45 31.141 31.141 32.567 -1.426 25065 4126 1 17 . 1 1 45 45 MET H H 45 7.669 7.669 7.999 -0.330 25065 4127 1 17 . 1 1 46 46 ARG HA H 46 4.187 4.187 4.119 0.068 25065 4128 1 17 . 1 1 46 46 ARG CB C 46 29.748 29.748 29.591 0.157 25065 4129 1 17 . 1 1 46 46 ARG H H 46 7.239 7.239 7.848 -0.609 25065 4130 1 17 . 1 1 47 47 LEU HA H 47 3.914 3.914 4.095 -0.181 25065 4131 1 17 . 1 1 47 47 LEU CB C 47 41.255 41.255 41.497 -0.242 25065 4132 1 17 . 1 1 47 47 LEU H H 47 8.227 8.227 8.100 0.127 25065 4133 1 17 . 1 1 48 48 ILE HA H 48 3.552 3.552 3.506 0.046 25065 4134 1 17 . 1 1 48 48 ILE CA C 48 65.226 65.226 65.614 -0.388 25065 4135 1 17 . 1 1 48 48 ILE CB C 48 37.672 37.672 37.252 0.420 25065 4136 1 17 . 1 1 48 48 ILE H H 48 8.534 8.534 7.467 1.067 25065 4137 1 17 . 1 1 49 49 ALA HA H 49 4.199 4.199 3.911 0.288 25065 4138 1 17 . 1 1 49 49 ALA CB C 49 17.884 17.884 18.212 -0.328 25065 4139 1 17 . 1 1 49 49 ALA H H 49 7.620 7.620 7.762 -0.142 25065 4140 1 17 . 1 1 50 50 ARG HA H 50 4.240 4.240 4.115 0.125 25065 4141 1 17 . 1 1 50 50 ARG H H 50 7.973 7.973 7.946 0.027 25065 4142 1 17 . 1 1 51 51 ILE HA H 51 3.368 3.368 3.721 -0.353 25065 4143 1 17 . 1 1 51 51 ILE CA C 51 66.422 66.422 65.480 0.942 25065 4144 1 17 . 1 1 51 51 ILE CB C 51 37.825 37.825 37.611 0.214 25065 4145 1 17 . 1 1 51 51 ILE H H 51 8.862 8.862 8.672 0.190 25065 4146 1 17 . 1 1 52 52 ARG HA H 52 4.061 4.061 4.271 -0.210 25065 4147 1 17 . 1 1 52 52 ARG CA C 52 59.614 59.614 58.863 0.751 25065 4148 1 17 . 1 1 52 52 ARG CB C 52 29.519 29.519 29.696 -0.177 25065 4149 1 17 . 1 1 52 52 ARG H H 52 7.861 7.861 8.340 -0.479 25065 4150 1 17 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.128 -0.159 25065 4151 1 17 . 1 1 53 53 GLU CA C 53 59.311 59.311 59.127 0.184 25065 4152 1 17 . 1 1 53 53 GLU CB C 53 30.277 30.277 29.502 0.775 25065 4153 1 17 . 1 1 53 53 GLU H H 53 7.847 7.847 7.991 -0.144 25065 4154 1 17 . 1 1 54 54 GLU HA H 54 4.338 4.338 4.270 0.068 25065 4155 1 17 . 1 1 54 54 GLU CB C 54 30.642 30.642 30.272 0.370 25065 4156 1 17 . 1 1 54 54 GLU H H 54 8.514 8.514 8.418 0.096 25065 4157 1 17 . 1 1 55 55 LEU HA H 55 4.680 4.680 4.360 0.320 25065 4158 1 17 . 1 1 55 55 LEU CB C 55 43.328 43.328 42.709 0.619 25065 4159 1 17 . 1 1 55 55 LEU H H 55 8.658 8.658 8.121 0.537 25065 4160 1 17 . 1 1 56 56 GLY CA C 56 46.596 46.596 45.351 1.245 25065 4161 1 17 . 1 1 56 56 GLY H H 56 7.693 7.693 7.760 -0.067 25065 4162 1 17 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.381 0.036 25065 4163 1 17 . 1 1 57 57 VAL CB C 57 35.473 35.473 34.503 0.970 25065 4164 1 17 . 1 1 57 57 VAL H H 57 6.534 6.534 7.273 -0.739 25065 4165 1 17 . 1 1 58 58 ASP HA H 58 4.675 4.675 4.666 0.009 25065 4166 1 17 . 1 1 58 58 ASP CB C 58 41.821 41.821 40.406 1.415 25065 4167 1 17 . 1 1 58 58 ASP H H 58 8.555 8.555 8.661 -0.106 25065 4168 1 17 . 1 1 59 59 LEU HA H 59 4.537 4.537 4.523 0.014 25065 4169 1 17 . 1 1 59 59 LEU CB C 59 44.310 44.310 42.694 1.616 25065 4170 1 17 . 1 1 59 59 LEU H H 59 8.395 8.395 7.702 0.693 25065 4171 1 17 . 1 1 60 60 PRO HA H 60 4.418 4.418 4.555 -0.137 25065 4172 1 17 . 1 1 60 60 PRO CB C 60 32.391 32.391 33.027 -0.636 25065 4173 1 17 . 1 1 61 61 ILE HA H 61 3.635 3.635 3.761 -0.126 25065 4174 1 17 . 1 1 61 61 ILE CB C 61 37.572 37.572 38.259 -0.687 25065 4175 1 17 . 1 1 61 61 ILE H H 61 8.748 8.748 8.750 -0.002 25065 4176 1 17 . 1 1 62 62 ARG HA H 62 3.995 3.995 4.078 -0.083 25065 4177 1 17 . 1 1 62 62 ARG CB C 62 29.519 29.519 29.469 0.050 25065 4178 1 17 . 1 1 62 62 ARG H H 62 8.419 8.419 8.438 -0.019 25065 4179 1 17 . 1 1 63 63 GLN HA H 63 4.027 4.027 4.169 -0.142 25065 4180 1 17 . 1 1 63 63 GLN CB C 63 28.519 28.519 28.587 -0.068 25065 4181 1 17 . 1 1 63 63 GLN H H 63 7.443 7.443 7.627 -0.184 25065 4182 1 17 . 1 1 64 64 LEU HA H 64 3.834 3.834 4.045 -0.211 25065 4183 1 17 . 1 1 64 64 LEU CB C 64 40.786 40.786 42.041 -1.255 25065 4184 1 17 . 1 1 64 64 LEU H H 64 7.261 7.261 7.629 -0.368 25065 4185 1 17 . 1 1 65 65 PHE CB C 65 38.158 38.158 38.872 -0.714 25065 4186 1 17 . 1 1 65 65 PHE H H 65 7.405 7.405 8.286 -0.881 25065 4187 1 17 . 1 1 66 66 SER HA H 66 4.368 4.368 4.526 -0.158 25065 4188 1 17 . 1 1 66 66 SER CB C 66 63.456 63.456 63.793 -0.337 25065 4189 1 17 . 1 1 67 67 SER HA H 67 4.801 4.801 4.949 -0.148 25065 4190 1 17 . 1 1 67 67 SER CB C 67 64.236 64.236 63.705 0.531 25065 4191 1 17 . 1 1 67 67 SER H H 67 7.679 7.679 7.806 -0.127 25065 4192 1 17 . 1 1 68 68 PRO HA H 68 4.982 4.982 4.816 0.166 25065 4193 1 17 . 1 1 68 68 PRO CB C 68 32.626 32.626 32.178 0.448 25065 4194 1 17 . 1 1 69 69 THR HA H 69 5.519 5.519 5.218 0.301 25065 4195 1 17 . 1 1 69 69 THR CA C 69 58.316 58.316 58.741 -0.425 25065 4196 1 17 . 1 1 69 69 THR H H 69 8.253 8.253 7.372 0.881 25065 4197 1 17 . 1 1 70 70 PRO HA H 70 3.787 3.787 3.959 -0.172 25065 4198 1 17 . 1 1 70 70 PRO CA C 70 65.995 65.995 65.821 0.174 25065 4199 1 17 . 1 1 70 70 PRO CB C 70 32.865 32.865 31.508 1.357 25065 4200 1 17 . 1 1 71 71 ALA HA H 71 4.122 4.122 4.153 -0.031 25065 4201 1 17 . 1 1 71 71 ALA CA C 71 55.368 55.368 54.978 0.390 25065 4202 1 17 . 1 1 71 71 ALA CB C 71 18.613 18.613 18.189 0.424 25065 4203 1 17 . 1 1 71 71 ALA H H 71 8.775 8.775 7.936 0.839 25065 4204 1 17 . 1 1 72 72 GLY H H 72 8.186 8.186 7.702 0.484 25065 4205 1 17 . 1 1 73 73 VAL HA H 73 3.565 3.565 3.786 -0.221 25065 4206 1 17 . 1 1 73 73 VAL CA C 73 66.671 66.671 65.511 1.160 25065 4207 1 17 . 1 1 73 73 VAL CB C 73 31.440 31.440 31.375 0.065 25065 4208 1 17 . 1 1 73 73 VAL H H 73 9.142 9.142 7.396 1.746 25065 4209 1 17 . 1 1 74 74 ALA HA H 74 3.772 3.772 3.946 -0.174 25065 4210 1 17 . 1 1 74 74 ALA CA C 74 55.788 55.788 55.524 0.264 25065 4211 1 17 . 1 1 74 74 ALA CB C 74 18.080 18.080 18.564 -0.484 25065 4212 1 17 . 1 1 74 74 ALA H H 74 8.659 8.659 8.345 0.314 25065 4213 1 17 . 1 1 75 75 ARG HA H 75 4.043 4.043 4.089 -0.046 25065 4214 1 17 . 1 1 75 75 ARG CA C 75 59.563 59.563 58.513 1.050 25065 4215 1 17 . 1 1 75 75 ARG CB C 75 30.311 30.311 30.089 0.222 25065 4216 1 17 . 1 1 75 75 ARG H H 75 7.694 7.694 7.748 -0.054 25065 4217 1 17 . 1 1 76 76 ALA HA H 76 4.153 4.153 4.221 -0.068 25065 4218 1 17 . 1 1 76 76 ALA CA C 76 54.796 54.796 54.289 0.507 25065 4219 1 17 . 1 1 76 76 ALA CB C 76 17.493 17.493 18.872 -1.379 25065 4220 1 17 . 1 1 76 76 ALA H H 76 7.877 7.877 7.400 0.477 25065 4221 1 17 . 1 1 77 77 LEU HA H 77 3.974 3.974 4.064 -0.090 25065 4222 1 17 . 1 1 77 77 LEU H H 77 8.484 8.484 8.278 0.206 25065 4223 1 17 . 1 1 78 78 ALA HA H 78 4.192 4.192 3.980 0.212 25065 4224 1 17 . 1 1 78 78 ALA CB C 78 18.191 18.191 17.918 0.273 25065 4225 1 17 . 1 1 79 79 ALA HA H 79 4.193 4.193 4.044 0.149 25065 4226 1 17 . 1 1 79 79 ALA CA C 79 53.313 53.313 54.578 -1.265 25065 4227 1 17 . 1 1 79 79 ALA CB C 79 18.379 18.379 18.072 0.307 25065 4228 1 17 . 1 1 79 79 ALA H H 79 7.624 7.624 7.612 0.012 25065 4229 1 17 . 1 1 80 80 LYS HA H 80 4.241 4.241 4.049 0.192 25065 4230 1 17 . 1 1 80 80 LYS CA C 80 56.363 56.363 58.898 -2.535 25065 4231 1 17 . 1 1 80 80 LYS CB C 80 32.340 32.340 31.986 0.354 25065 4232 1 17 . 1 1 80 80 LYS H H 80 7.759 7.759 7.831 -0.072 25065 4233 1 17 . 1 1 81 81 SER H H 81 7.888 7.888 7.905 -0.017 25065 4234 1 17 . 1 1 83 83 SER HA H 83 4.323 4.323 4.592 -0.269 25065 4235 1 17 . 1 1 83 83 SER CA C 83 58.644 58.644 58.160 0.484 25065 4236 1 17 . 1 1 83 83 SER CB C 83 63.434 63.434 63.975 -0.541 25065 4237 1 17 . 1 1 84 84 TRP HA H 84 4.645 4.645 4.541 0.104 25065 4238 1 17 . 1 1 84 84 TRP CB C 84 29.473 29.473 29.849 -0.376 25065 4239 1 17 . 1 1 85 85 SER HA H 85 4.314 4.314 4.125 0.189 25065 4240 1 17 . 1 1 85 85 SER CB C 85 63.726 63.726 63.670 0.056 25065 4241 1 17 . 1 1 87 87 PRO HA H 87 4.323 4.323 4.322 0.001 25065 4242 1 17 . 1 1 87 87 PRO CB C 87 31.915 31.915 30.333 1.582 25065 4243 1 17 . 1 1 88 88 GLN HA H 88 4.242 4.242 4.234 0.008 25065 4244 1 17 . 1 1 88 88 GLN CA C 88 55.771 55.771 54.853 0.918 25065 4245 1 17 . 1 1 88 88 GLN CB C 88 29.293 29.293 31.277 -1.984 25065 4246 1 17 . 1 1 89 89 PHE HA H 89 4.650 4.650 4.492 0.158 25065 4247 1 17 . 1 1 89 89 PHE CB C 89 39.577 39.577 39.396 0.181 25065 4248 1 17 . 1 1 90 90 GLU HA H 90 4.241 4.241 4.463 -0.222 25065 4249 1 17 . 1 1 90 90 GLU CA C 90 56.363 56.363 55.677 0.686 25065 4250 1 17 . 1 1 90 90 GLU CB C 90 30.354 30.354 30.859 -0.505 25065 4251 1 18 . 1 1 3 3 MET HA H 3 4.414 4.414 4.768 -0.354 25065 4252 1 18 . 1 1 3 3 MET H H 3 8.447 8.447 8.371 0.076 25065 4253 1 18 . 1 1 5 5 LYS HA H 5 4.253 4.253 4.487 -0.234 25065 4254 1 18 . 1 1 5 5 LYS CA C 5 55.810 55.810 55.049 0.761 25065 4255 1 18 . 1 1 6 6 ALA HA H 6 4.551 4.551 4.460 0.091 25065 4256 1 18 . 1 1 6 6 ALA CB C 6 17.947 17.947 18.024 -0.077 25065 4257 1 18 . 1 1 6 6 ALA H H 6 8.400 8.400 8.262 0.138 25065 4258 1 18 . 1 1 7 7 PRO HA H 7 4.318 4.318 4.547 -0.229 25065 4259 1 18 . 1 1 7 7 PRO CB C 7 31.974 31.974 32.904 -0.930 25065 4260 1 18 . 1 1 8 8 GLU HA H 8 4.366 4.366 3.924 0.442 25065 4261 1 18 . 1 1 8 8 GLU CB C 8 30.764 30.764 28.579 2.185 25065 4262 1 18 . 1 1 8 8 GLU H H 8 8.738 8.738 8.647 0.091 25065 4263 1 18 . 1 1 9 9 SER HA H 9 4.521 4.521 4.425 0.096 25065 4264 1 18 . 1 1 9 9 SER CB C 9 65.043 65.043 64.096 0.947 25065 4265 1 18 . 1 1 9 9 SER H H 9 8.724 8.724 8.143 0.581 25065 4266 1 18 . 1 1 10 10 ALA HA H 10 4.082 4.082 4.086 -0.004 25065 4267 1 18 . 1 1 10 10 ALA CB C 10 18.166 18.166 18.125 0.041 25065 4268 1 18 . 1 1 10 10 ALA H H 10 8.547 8.547 8.690 -0.143 25065 4269 1 18 . 1 1 11 11 THR HA H 11 3.809 3.809 4.061 -0.252 25065 4270 1 18 . 1 1 11 11 THR CA C 11 66.711 66.711 65.568 1.143 25065 4271 1 18 . 1 1 11 11 THR CB C 11 68.400 68.400 68.099 0.301 25065 4272 1 18 . 1 1 11 11 THR H H 11 8.186 8.186 8.215 -0.029 25065 4273 1 18 . 1 1 12 12 GLU HA H 12 3.576 3.576 3.914 -0.338 25065 4274 1 18 . 1 1 12 12 GLU CA C 12 60.604 60.604 59.056 1.548 25065 4275 1 18 . 1 1 12 12 GLU CB C 12 29.805 29.805 29.093 0.712 25065 4276 1 18 . 1 1 12 12 GLU H H 12 8.073 8.073 7.853 0.220 25065 4277 1 18 . 1 1 13 13 LYS HA H 13 3.888 3.888 4.000 -0.112 25065 4278 1 18 . 1 1 13 13 LYS CA C 13 60.352 60.352 59.579 0.773 25065 4279 1 18 . 1 1 13 13 LYS CB C 13 32.257 32.257 32.037 0.220 25065 4280 1 18 . 1 1 13 13 LYS H H 13 8.180 8.180 7.735 0.445 25065 4281 1 18 . 1 1 14 14 VAL HA H 14 3.777 3.777 3.871 -0.094 25065 4282 1 18 . 1 1 14 14 VAL CA C 14 66.089 66.089 65.191 0.898 25065 4283 1 18 . 1 1 14 14 VAL CB C 14 31.861 31.861 31.204 0.657 25065 4284 1 18 . 1 1 14 14 VAL H H 14 7.760 7.760 7.412 0.348 25065 4285 1 18 . 1 1 15 15 LEU HA H 15 3.972 3.972 4.157 -0.185 25065 4286 1 18 . 1 1 15 15 LEU CB C 15 42.097 42.097 41.385 0.712 25065 4287 1 18 . 1 1 15 15 LEU H H 15 8.326 8.326 7.525 0.801 25065 4288 1 18 . 1 1 16 16 CYS HA H 16 3.638 3.638 3.827 -0.189 25065 4289 1 18 . 1 1 16 16 CYS CA C 16 65.055 65.055 62.594 2.461 25065 4290 1 18 . 1 1 16 16 CYS CB C 16 26.610 26.610 26.244 0.366 25065 4291 1 18 . 1 1 16 16 CYS H H 16 8.531 8.531 8.555 -0.024 25065 4292 1 18 . 1 1 17 17 ALA HA H 17 4.203 4.203 4.100 0.103 25065 4293 1 18 . 1 1 17 17 ALA CA C 17 55.289 55.289 55.047 0.242 25065 4294 1 18 . 1 1 17 17 ALA CB C 17 17.539 17.539 18.284 -0.745 25065 4295 1 18 . 1 1 17 17 ALA H H 17 7.629 7.629 7.409 0.220 25065 4296 1 18 . 1 1 18 18 LEU HA H 18 4.226 4.226 4.090 0.136 25065 4297 1 18 . 1 1 18 18 LEU CA C 18 57.699 57.699 58.136 -0.437 25065 4298 1 18 . 1 1 18 18 LEU CB C 18 42.382 42.382 40.895 1.487 25065 4299 1 18 . 1 1 18 18 LEU H H 18 8.673 8.673 8.136 0.537 25065 4300 1 18 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.268 -0.292 25065 4301 1 18 . 1 1 19 19 TYR CB C 19 39.575 39.575 37.062 2.513 25065 4302 1 18 . 1 1 19 19 TYR H H 19 9.180 9.180 8.867 0.313 25065 4303 1 18 . 1 1 20 20 ALA HA H 20 3.885 3.885 3.960 -0.075 25065 4304 1 18 . 1 1 20 20 ALA CA C 20 55.942 55.942 55.150 0.792 25065 4305 1 18 . 1 1 20 20 ALA CB C 20 17.847 17.847 18.115 -0.268 25065 4306 1 18 . 1 1 20 20 ALA H H 20 7.772 7.772 7.765 0.007 25065 4307 1 18 . 1 1 21 21 GLU HA H 21 3.995 3.995 4.066 -0.071 25065 4308 1 18 . 1 1 21 21 GLU CA C 21 58.905 58.905 59.096 -0.191 25065 4309 1 18 . 1 1 21 21 GLU CB C 21 30.342 30.342 29.511 0.831 25065 4310 1 18 . 1 1 22 22 ILE HA H 22 3.917 3.917 3.930 -0.013 25065 4311 1 18 . 1 1 22 22 ILE CA C 22 61.642 61.642 63.786 -2.144 25065 4312 1 18 . 1 1 22 22 ILE CB C 22 37.107 37.107 38.587 -1.480 25065 4313 1 18 . 1 1 22 22 ILE H H 22 8.299 8.299 7.531 0.768 25065 4314 1 18 . 1 1 23 23 LEU HA H 23 4.134 4.134 4.131 0.003 25065 4315 1 18 . 1 1 23 23 LEU CA C 23 55.302 55.302 55.249 0.052 25065 4316 1 18 . 1 1 23 23 LEU CB C 23 42.218 42.218 41.652 0.566 25065 4317 1 18 . 1 1 23 23 LEU H H 23 8.477 8.477 8.233 0.244 25065 4318 1 18 . 1 1 24 24 GLY CA C 24 46.801 46.801 45.894 0.907 25065 4319 1 18 . 1 1 24 24 GLY H H 24 7.853 7.853 7.845 0.008 25065 4320 1 18 . 1 1 25 25 VAL HA H 25 4.590 4.590 4.543 0.047 25065 4321 1 18 . 1 1 25 25 VAL CB C 25 34.203 34.203 34.172 0.031 25065 4322 1 18 . 1 1 25 25 VAL H H 25 7.349 7.349 7.367 -0.018 25065 4323 1 18 . 1 1 26 26 GLU HA H 26 4.029 4.029 4.286 -0.257 25065 4324 1 18 . 1 1 26 26 GLU CA C 26 58.870 58.870 58.193 0.677 25065 4325 1 18 . 1 1 26 26 GLU CB C 26 30.613 30.613 29.931 0.682 25065 4326 1 18 . 1 1 26 26 GLU H H 26 8.416 8.416 8.712 -0.296 25065 4327 1 18 . 1 1 27 27 ARG HA H 27 4.464 4.464 4.496 -0.032 25065 4328 1 18 . 1 1 27 27 ARG CB C 27 32.007 32.007 32.106 -0.099 25065 4329 1 18 . 1 1 27 27 ARG H H 27 7.729 7.729 7.631 0.098 25065 4330 1 18 . 1 1 28 28 VAL HA H 28 4.077 4.077 4.310 -0.233 25065 4331 1 18 . 1 1 28 28 VAL CA C 28 61.719 61.719 61.401 0.318 25065 4332 1 18 . 1 1 28 28 VAL CB C 28 34.774 34.774 35.476 -0.702 25065 4333 1 18 . 1 1 28 28 VAL H H 28 8.344 8.344 8.554 -0.210 25065 4334 1 18 . 1 1 29 29 GLY H H 29 9.223 9.223 8.323 0.900 25065 4335 1 18 . 1 1 30 30 VAL HA H 30 3.581 3.581 3.818 -0.237 25065 4336 1 18 . 1 1 30 30 VAL CA C 30 64.307 64.307 63.965 0.342 25065 4337 1 18 . 1 1 30 30 VAL CB C 30 31.617 31.617 31.865 -0.248 25065 4338 1 18 . 1 1 30 30 VAL H H 30 8.155 8.155 8.390 -0.235 25065 4339 1 18 . 1 1 31 31 ASP HA H 31 5.041 5.041 4.727 0.314 25065 4340 1 18 . 1 1 31 31 ASP CB C 31 41.177 41.177 41.265 -0.088 25065 4341 1 18 . 1 1 31 31 ASP H H 31 8.149 8.149 8.137 0.012 25065 4342 1 18 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.731 -0.109 25065 4343 1 18 . 1 1 32 32 ASP CB C 32 41.799 41.799 42.264 -0.465 25065 4344 1 18 . 1 1 32 32 ASP H H 32 7.289 7.289 7.544 -0.255 25065 4345 1 18 . 1 1 33 33 ALA HA H 33 4.093 4.093 4.564 -0.471 25065 4346 1 18 . 1 1 33 33 ALA CA C 33 51.549 51.549 51.306 0.243 25065 4347 1 18 . 1 1 33 33 ALA CB C 33 19.554 19.554 20.177 -0.623 25065 4348 1 18 . 1 1 33 33 ALA H H 33 8.885 8.885 8.445 0.440 25065 4349 1 18 . 1 1 34 34 PHE HA H 34 3.956 3.956 3.966 -0.010 25065 4350 1 18 . 1 1 34 34 PHE CA C 34 62.655 62.655 62.420 0.235 25065 4351 1 18 . 1 1 34 34 PHE CB C 34 40.196 40.196 39.323 0.873 25065 4352 1 18 . 1 1 34 34 PHE H H 34 8.409 8.409 8.629 -0.220 25065 4353 1 18 . 1 1 36 36 ASP HA H 36 4.494 4.494 4.492 0.002 25065 4354 1 18 . 1 1 36 36 ASP CB C 36 40.185 40.185 40.266 -0.081 25065 4355 1 18 . 1 1 37 37 LEU HA H 37 4.347 4.347 4.265 0.082 25065 4356 1 18 . 1 1 37 37 LEU CB C 37 43.535 43.535 41.846 1.689 25065 4357 1 18 . 1 1 37 37 LEU H H 37 7.059 7.059 7.904 -0.845 25065 4358 1 18 . 1 1 38 38 GLY CA C 38 44.575 44.575 44.785 -0.210 25065 4359 1 18 . 1 1 38 38 GLY H H 38 7.451 7.451 7.538 -0.087 25065 4360 1 18 . 1 1 39 39 GLY CA C 39 46.469 46.469 44.521 1.948 25065 4361 1 18 . 1 1 39 39 GLY H H 39 7.624 7.624 7.927 -0.303 25065 4362 1 18 . 1 1 40 40 SER HA H 40 4.936 4.936 4.916 0.020 25065 4363 1 18 . 1 1 40 40 SER CB C 40 66.690 66.690 66.492 0.198 25065 4364 1 18 . 1 1 40 40 SER H H 40 6.796 6.796 8.267 -1.471 25065 4365 1 18 . 1 1 42 42 ALA HA H 42 4.194 4.194 4.203 -0.009 25065 4366 1 18 . 1 1 42 42 ALA CB C 42 18.306 18.306 18.007 0.299 25065 4367 1 18 . 1 1 43 43 LEU HA H 43 4.163 4.163 4.141 0.022 25065 4368 1 18 . 1 1 43 43 LEU CB C 43 41.833 41.833 41.558 0.275 25065 4369 1 18 . 1 1 44 44 ALA HA H 44 3.612 3.612 3.480 0.132 25065 4370 1 18 . 1 1 44 44 ALA CA C 44 54.838 54.838 55.012 -0.174 25065 4371 1 18 . 1 1 44 44 ALA CB C 44 18.153 18.153 18.052 0.102 25065 4372 1 18 . 1 1 44 44 ALA H H 44 8.864 8.864 8.242 0.622 25065 4373 1 18 . 1 1 45 45 MET HA H 45 4.200 4.200 3.988 0.212 25065 4374 1 18 . 1 1 45 45 MET CA C 45 58.019 58.019 59.546 -1.527 25065 4375 1 18 . 1 1 45 45 MET CB C 45 31.141 31.141 32.495 -1.353 25065 4376 1 18 . 1 1 45 45 MET H H 45 7.669 7.669 7.712 -0.043 25065 4377 1 18 . 1 1 46 46 ARG HA H 46 4.187 4.187 4.114 0.073 25065 4378 1 18 . 1 1 46 46 ARG CB C 46 29.748 29.748 29.461 0.287 25065 4379 1 18 . 1 1 46 46 ARG H H 46 7.239 7.239 7.650 -0.411 25065 4380 1 18 . 1 1 47 47 LEU HA H 47 3.914 3.914 4.061 -0.147 25065 4381 1 18 . 1 1 47 47 LEU CB C 47 41.255 41.255 41.436 -0.181 25065 4382 1 18 . 1 1 47 47 LEU H H 47 8.227 8.227 8.200 0.027 25065 4383 1 18 . 1 1 48 48 ILE HA H 48 3.552 3.552 3.488 0.064 25065 4384 1 18 . 1 1 48 48 ILE CA C 48 65.226 65.226 65.654 -0.428 25065 4385 1 18 . 1 1 48 48 ILE CB C 48 37.672 37.672 37.323 0.349 25065 4386 1 18 . 1 1 48 48 ILE H H 48 8.534 8.534 7.630 0.904 25065 4387 1 18 . 1 1 49 49 ALA HA H 49 4.199 4.199 3.877 0.322 25065 4388 1 18 . 1 1 49 49 ALA CB C 49 17.884 17.884 18.293 -0.409 25065 4389 1 18 . 1 1 49 49 ALA H H 49 7.620 7.620 7.979 -0.359 25065 4390 1 18 . 1 1 50 50 ARG HA H 50 4.240 4.240 4.147 0.093 25065 4391 1 18 . 1 1 50 50 ARG H H 50 7.973 7.973 8.127 -0.154 25065 4392 1 18 . 1 1 51 51 ILE HA H 51 3.368 3.368 3.705 -0.337 25065 4393 1 18 . 1 1 51 51 ILE CA C 51 66.422 66.422 65.620 0.802 25065 4394 1 18 . 1 1 51 51 ILE CB C 51 37.825 37.825 37.517 0.309 25065 4395 1 18 . 1 1 51 51 ILE H H 51 8.862 8.862 8.604 0.258 25065 4396 1 18 . 1 1 52 52 ARG HA H 52 4.061 4.061 4.044 0.017 25065 4397 1 18 . 1 1 52 52 ARG CA C 52 59.614 59.614 58.794 0.820 25065 4398 1 18 . 1 1 52 52 ARG CB C 52 29.519 29.519 29.595 -0.076 25065 4399 1 18 . 1 1 52 52 ARG H H 52 7.861 7.861 8.104 -0.243 25065 4400 1 18 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.121 -0.152 25065 4401 1 18 . 1 1 53 53 GLU CA C 53 59.311 59.311 58.774 0.537 25065 4402 1 18 . 1 1 53 53 GLU CB C 53 30.277 30.277 29.443 0.834 25065 4403 1 18 . 1 1 53 53 GLU H H 53 7.847 7.847 7.598 0.249 25065 4404 1 18 . 1 1 54 54 GLU HA H 54 4.338 4.338 4.193 0.145 25065 4405 1 18 . 1 1 54 54 GLU CB C 54 30.642 30.642 30.391 0.251 25065 4406 1 18 . 1 1 54 54 GLU H H 54 8.514 8.514 8.099 0.415 25065 4407 1 18 . 1 1 55 55 LEU HA H 55 4.680 4.680 4.534 0.146 25065 4408 1 18 . 1 1 55 55 LEU CB C 55 43.328 43.328 43.016 0.312 25065 4409 1 18 . 1 1 55 55 LEU H H 55 8.658 8.658 8.408 0.250 25065 4410 1 18 . 1 1 56 56 GLY CA C 56 46.596 46.596 45.410 1.186 25065 4411 1 18 . 1 1 56 56 GLY H H 56 7.693 7.693 7.741 -0.048 25065 4412 1 18 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.391 0.026 25065 4413 1 18 . 1 1 57 57 VAL CB C 57 35.473 35.473 33.795 1.678 25065 4414 1 18 . 1 1 57 57 VAL H H 57 6.534 6.534 7.375 -0.841 25065 4415 1 18 . 1 1 58 58 ASP HA H 58 4.675 4.675 4.755 -0.080 25065 4416 1 18 . 1 1 58 58 ASP CB C 58 41.821 41.821 40.746 1.075 25065 4417 1 18 . 1 1 58 58 ASP H H 58 8.555 8.555 8.631 -0.076 25065 4418 1 18 . 1 1 59 59 LEU HA H 59 4.537 4.537 4.719 -0.182 25065 4419 1 18 . 1 1 59 59 LEU CB C 59 44.310 44.310 44.146 0.164 25065 4420 1 18 . 1 1 59 59 LEU H H 59 8.395 8.395 8.124 0.271 25065 4421 1 18 . 1 1 60 60 PRO HA H 60 4.418 4.418 4.646 -0.228 25065 4422 1 18 . 1 1 60 60 PRO CB C 60 32.391 32.391 32.769 -0.378 25065 4423 1 18 . 1 1 61 61 ILE HA H 61 3.635 3.635 3.785 -0.150 25065 4424 1 18 . 1 1 61 61 ILE CB C 61 37.572 37.572 37.318 0.254 25065 4425 1 18 . 1 1 61 61 ILE H H 61 8.748 8.748 8.573 0.175 25065 4426 1 18 . 1 1 62 62 ARG HA H 62 3.995 3.995 3.973 0.022 25065 4427 1 18 . 1 1 62 62 ARG CB C 62 29.519 29.519 29.711 -0.192 25065 4428 1 18 . 1 1 62 62 ARG H H 62 8.419 8.419 8.559 -0.140 25065 4429 1 18 . 1 1 63 63 GLN HA H 63 4.027 4.027 4.148 -0.121 25065 4430 1 18 . 1 1 63 63 GLN CB C 63 28.519 28.519 28.785 -0.266 25065 4431 1 18 . 1 1 63 63 GLN H H 63 7.443 7.443 7.747 -0.304 25065 4432 1 18 . 1 1 64 64 LEU HA H 64 3.834 3.834 4.097 -0.263 25065 4433 1 18 . 1 1 64 64 LEU CB C 64 40.786 40.786 41.870 -1.084 25065 4434 1 18 . 1 1 64 64 LEU H H 64 7.261 7.261 7.401 -0.140 25065 4435 1 18 . 1 1 65 65 PHE CB C 65 38.158 38.158 39.190 -1.032 25065 4436 1 18 . 1 1 65 65 PHE H H 65 7.405 7.405 8.267 -0.862 25065 4437 1 18 . 1 1 66 66 SER HA H 66 4.368 4.368 4.456 -0.088 25065 4438 1 18 . 1 1 66 66 SER CB C 66 63.456 63.456 64.031 -0.575 25065 4439 1 18 . 1 1 67 67 SER HA H 67 4.801 4.801 4.942 -0.141 25065 4440 1 18 . 1 1 67 67 SER CB C 67 64.236 64.236 64.005 0.231 25065 4441 1 18 . 1 1 67 67 SER H H 67 7.679 7.679 7.760 -0.081 25065 4442 1 18 . 1 1 68 68 PRO HA H 68 4.982 4.982 4.498 0.484 25065 4443 1 18 . 1 1 68 68 PRO CB C 68 32.626 32.626 32.347 0.279 25065 4444 1 18 . 1 1 69 69 THR HA H 69 5.519 5.519 5.272 0.247 25065 4445 1 18 . 1 1 69 69 THR CA C 69 58.316 58.316 58.693 -0.376 25065 4446 1 18 . 1 1 69 69 THR H H 69 8.253 8.253 7.492 0.761 25065 4447 1 18 . 1 1 70 70 PRO HA H 70 3.787 3.787 3.849 -0.062 25065 4448 1 18 . 1 1 70 70 PRO CA C 70 65.995 65.995 65.690 0.305 25065 4449 1 18 . 1 1 70 70 PRO CB C 70 32.865 32.865 31.218 1.647 25065 4450 1 18 . 1 1 71 71 ALA HA H 71 4.122 4.122 4.029 0.093 25065 4451 1 18 . 1 1 71 71 ALA CA C 71 55.368 55.368 54.737 0.631 25065 4452 1 18 . 1 1 71 71 ALA CB C 71 18.613 18.613 18.335 0.278 25065 4453 1 18 . 1 1 71 71 ALA H H 71 8.775 8.775 8.364 0.411 25065 4454 1 18 . 1 1 72 72 GLY H H 72 8.186 8.186 7.674 0.512 25065 4455 1 18 . 1 1 73 73 VAL HA H 73 3.565 3.565 3.629 -0.064 25065 4456 1 18 . 1 1 73 73 VAL CA C 73 66.671 66.671 66.091 0.580 25065 4457 1 18 . 1 1 73 73 VAL CB C 73 31.440 31.440 30.890 0.550 25065 4458 1 18 . 1 1 73 73 VAL H H 73 9.142 9.142 8.101 1.041 25065 4459 1 18 . 1 1 74 74 ALA HA H 74 3.772 3.772 3.975 -0.203 25065 4460 1 18 . 1 1 74 74 ALA CA C 74 55.788 55.788 55.496 0.291 25065 4461 1 18 . 1 1 74 74 ALA CB C 74 18.080 18.080 18.350 -0.270 25065 4462 1 18 . 1 1 74 74 ALA H H 74 8.659 8.659 8.319 0.340 25065 4463 1 18 . 1 1 75 75 ARG HA H 75 4.043 4.043 4.057 -0.014 25065 4464 1 18 . 1 1 75 75 ARG CA C 75 59.563 59.563 58.891 0.672 25065 4465 1 18 . 1 1 75 75 ARG CB C 75 30.311 30.311 29.898 0.413 25065 4466 1 18 . 1 1 75 75 ARG H H 75 7.694 7.694 8.218 -0.524 25065 4467 1 18 . 1 1 76 76 ALA HA H 76 4.153 4.153 4.092 0.061 25065 4468 1 18 . 1 1 76 76 ALA CA C 76 54.796 54.796 54.836 -0.040 25065 4469 1 18 . 1 1 76 76 ALA CB C 76 17.493 17.493 18.557 -1.064 25065 4470 1 18 . 1 1 76 76 ALA H H 76 7.877 7.877 7.782 0.095 25065 4471 1 18 . 1 1 77 77 LEU HA H 77 3.974 3.974 3.879 0.095 25065 4472 1 18 . 1 1 77 77 LEU H H 77 8.484 8.484 8.302 0.182 25065 4473 1 18 . 1 1 78 78 ALA HA H 78 4.192 4.192 3.972 0.220 25065 4474 1 18 . 1 1 78 78 ALA CB C 78 18.191 18.191 17.932 0.259 25065 4475 1 18 . 1 1 79 79 ALA HA H 79 4.193 4.193 4.055 0.138 25065 4476 1 18 . 1 1 79 79 ALA CA C 79 53.313 53.313 55.032 -1.719 25065 4477 1 18 . 1 1 79 79 ALA CB C 79 18.379 18.379 18.220 0.159 25065 4478 1 18 . 1 1 79 79 ALA H H 79 7.624 7.624 7.772 -0.148 25065 4479 1 18 . 1 1 80 80 LYS HA H 80 4.241 4.241 4.127 0.114 25065 4480 1 18 . 1 1 80 80 LYS CA C 80 56.363 56.363 58.275 -1.912 25065 4481 1 18 . 1 1 80 80 LYS CB C 80 32.340 32.340 32.025 0.315 25065 4482 1 18 . 1 1 80 80 LYS H H 80 7.759 7.759 8.037 -0.278 25065 4483 1 18 . 1 1 81 81 SER H H 81 7.888 7.888 8.472 -0.584 25065 4484 1 18 . 1 1 83 83 SER HA H 83 4.323 4.323 4.416 -0.093 25065 4485 1 18 . 1 1 83 83 SER CA C 83 58.644 58.644 58.933 -0.289 25065 4486 1 18 . 1 1 83 83 SER CB C 83 63.434 63.434 63.874 -0.440 25065 4487 1 18 . 1 1 84 84 TRP HA H 84 4.645 4.645 4.568 0.077 25065 4488 1 18 . 1 1 84 84 TRP CB C 84 29.473 29.473 28.941 0.532 25065 4489 1 18 . 1 1 85 85 SER HA H 85 4.314 4.314 4.115 0.199 25065 4490 1 18 . 1 1 85 85 SER CB C 85 63.726 63.726 63.573 0.153 25065 4491 1 18 . 1 1 87 87 PRO HA H 87 4.323 4.323 4.516 -0.193 25065 4492 1 18 . 1 1 87 87 PRO CB C 87 31.915 31.915 32.613 -0.698 25065 4493 1 18 . 1 1 88 88 GLN HA H 88 4.242 4.242 4.657 -0.415 25065 4494 1 18 . 1 1 88 88 GLN CA C 88 55.771 55.771 55.099 0.672 25065 4495 1 18 . 1 1 88 88 GLN CB C 88 29.293 29.293 31.781 -2.488 25065 4496 1 18 . 1 1 89 89 PHE HA H 89 4.650 4.650 5.110 -0.460 25065 4497 1 18 . 1 1 89 89 PHE CB C 89 39.577 39.577 40.915 -1.338 25065 4498 1 18 . 1 1 90 90 GLU HA H 90 4.241 4.241 4.706 -0.465 25065 4499 1 18 . 1 1 90 90 GLU CA C 90 56.363 56.363 55.094 1.269 25065 4500 1 18 . 1 1 90 90 GLU CB C 90 30.354 30.354 32.621 -2.267 25065 4501 1 19 . 1 1 3 3 MET HA H 3 4.414 4.414 4.138 0.276 25065 4502 1 19 . 1 1 3 3 MET H H 3 8.447 8.447 8.307 0.140 25065 4503 1 19 . 1 1 5 5 LYS HA H 5 4.253 4.253 4.539 -0.286 25065 4504 1 19 . 1 1 5 5 LYS CA C 5 55.810 55.810 55.491 0.319 25065 4505 1 19 . 1 1 6 6 ALA HA H 6 4.551 4.551 4.826 -0.275 25065 4506 1 19 . 1 1 6 6 ALA CB C 6 17.947 17.947 19.268 -1.321 25065 4507 1 19 . 1 1 6 6 ALA H H 6 8.400 8.400 8.199 0.201 25065 4508 1 19 . 1 1 7 7 PRO HA H 7 4.318 4.318 4.492 -0.174 25065 4509 1 19 . 1 1 7 7 PRO CB C 7 31.974 31.974 32.595 -0.621 25065 4510 1 19 . 1 1 8 8 GLU HA H 8 4.366 4.366 4.454 -0.088 25065 4511 1 19 . 1 1 8 8 GLU CB C 8 30.764 30.764 29.731 1.033 25065 4512 1 19 . 1 1 8 8 GLU H H 8 8.738 8.738 8.542 0.196 25065 4513 1 19 . 1 1 9 9 SER HA H 9 4.521 4.521 4.525 -0.004 25065 4514 1 19 . 1 1 9 9 SER CB C 9 65.043 65.043 64.155 0.888 25065 4515 1 19 . 1 1 9 9 SER H H 9 8.724 8.724 7.649 1.075 25065 4516 1 19 . 1 1 10 10 ALA HA H 10 4.082 4.082 4.101 -0.019 25065 4517 1 19 . 1 1 10 10 ALA CB C 10 18.166 18.166 18.305 -0.139 25065 4518 1 19 . 1 1 10 10 ALA H H 10 8.547 8.547 8.695 -0.148 25065 4519 1 19 . 1 1 11 11 THR HA H 11 3.809 3.809 4.133 -0.324 25065 4520 1 19 . 1 1 11 11 THR CA C 11 66.711 66.711 65.232 1.479 25065 4521 1 19 . 1 1 11 11 THR CB C 11 68.400 68.400 68.211 0.189 25065 4522 1 19 . 1 1 11 11 THR H H 11 8.186 8.186 8.063 0.123 25065 4523 1 19 . 1 1 12 12 GLU HA H 12 3.576 3.576 3.983 -0.407 25065 4524 1 19 . 1 1 12 12 GLU CA C 12 60.604 60.604 59.136 1.468 25065 4525 1 19 . 1 1 12 12 GLU CB C 12 29.805 29.805 28.926 0.879 25065 4526 1 19 . 1 1 12 12 GLU H H 12 8.073 8.073 7.873 0.200 25065 4527 1 19 . 1 1 13 13 LYS HA H 13 3.888 3.888 4.037 -0.149 25065 4528 1 19 . 1 1 13 13 LYS CA C 13 60.352 60.352 59.520 0.833 25065 4529 1 19 . 1 1 13 13 LYS CB C 13 32.257 32.257 32.054 0.203 25065 4530 1 19 . 1 1 13 13 LYS H H 13 8.180 8.180 7.550 0.630 25065 4531 1 19 . 1 1 14 14 VAL HA H 14 3.777 3.777 3.948 -0.171 25065 4532 1 19 . 1 1 14 14 VAL CA C 14 66.089 66.089 65.287 0.801 25065 4533 1 19 . 1 1 14 14 VAL CB C 14 31.861 31.861 32.191 -0.330 25065 4534 1 19 . 1 1 14 14 VAL H H 14 7.760 7.760 7.425 0.335 25065 4535 1 19 . 1 1 15 15 LEU HA H 15 3.972 3.972 4.172 -0.200 25065 4536 1 19 . 1 1 15 15 LEU CB C 15 42.097 42.097 41.472 0.625 25065 4537 1 19 . 1 1 15 15 LEU H H 15 8.326 8.326 7.384 0.942 25065 4538 1 19 . 1 1 16 16 CYS HA H 16 3.638 3.638 3.945 -0.307 25065 4539 1 19 . 1 1 16 16 CYS CA C 16 65.055 65.055 64.323 0.732 25065 4540 1 19 . 1 1 16 16 CYS CB C 16 26.610 26.610 26.227 0.383 25065 4541 1 19 . 1 1 16 16 CYS H H 16 8.531 8.531 8.623 -0.092 25065 4542 1 19 . 1 1 17 17 ALA HA H 17 4.203 4.203 4.137 0.066 25065 4543 1 19 . 1 1 17 17 ALA CA C 17 55.289 55.289 55.272 0.017 25065 4544 1 19 . 1 1 17 17 ALA CB C 17 17.539 17.539 18.163 -0.624 25065 4545 1 19 . 1 1 17 17 ALA H H 17 7.629 7.629 7.466 0.163 25065 4546 1 19 . 1 1 18 18 LEU HA H 18 4.226 4.226 4.114 0.112 25065 4547 1 19 . 1 1 18 18 LEU CA C 18 57.699 57.699 57.446 0.253 25065 4548 1 19 . 1 1 18 18 LEU CB C 18 42.382 42.382 40.505 1.877 25065 4549 1 19 . 1 1 18 18 LEU H H 18 8.673 8.673 7.949 0.724 25065 4550 1 19 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.159 -0.183 25065 4551 1 19 . 1 1 19 19 TYR CB C 19 39.575 39.575 37.610 1.965 25065 4552 1 19 . 1 1 19 19 TYR H H 19 9.180 9.180 8.892 0.288 25065 4553 1 19 . 1 1 20 20 ALA HA H 20 3.885 3.885 3.976 -0.091 25065 4554 1 19 . 1 1 20 20 ALA CA C 20 55.942 55.942 55.183 0.759 25065 4555 1 19 . 1 1 20 20 ALA CB C 20 17.847 17.847 18.244 -0.397 25065 4556 1 19 . 1 1 20 20 ALA H H 20 7.772 7.772 8.307 -0.535 25065 4557 1 19 . 1 1 21 21 GLU HA H 21 3.995 3.995 4.061 -0.066 25065 4558 1 19 . 1 1 21 21 GLU CA C 21 58.905 58.905 59.068 -0.163 25065 4559 1 19 . 1 1 21 21 GLU CB C 21 30.342 30.342 29.809 0.533 25065 4560 1 19 . 1 1 22 22 ILE HA H 22 3.917 3.917 3.883 0.034 25065 4561 1 19 . 1 1 22 22 ILE CA C 22 61.642 61.642 64.167 -2.525 25065 4562 1 19 . 1 1 22 22 ILE CB C 22 37.107 37.107 38.605 -1.498 25065 4563 1 19 . 1 1 22 22 ILE H H 22 8.299 8.299 7.674 0.625 25065 4564 1 19 . 1 1 23 23 LEU HA H 23 4.134 4.134 4.253 -0.119 25065 4565 1 19 . 1 1 23 23 LEU CA C 23 55.302 55.302 55.111 0.191 25065 4566 1 19 . 1 1 23 23 LEU CB C 23 42.218 42.218 42.621 -0.403 25065 4567 1 19 . 1 1 23 23 LEU H H 23 8.477 8.477 7.755 0.722 25065 4568 1 19 . 1 1 24 24 GLY CA C 24 46.801 46.801 45.442 1.359 25065 4569 1 19 . 1 1 24 24 GLY H H 24 7.853 7.853 8.013 -0.160 25065 4570 1 19 . 1 1 25 25 VAL HA H 25 4.590 4.590 4.394 0.196 25065 4571 1 19 . 1 1 25 25 VAL CB C 25 34.203 34.203 33.141 1.062 25065 4572 1 19 . 1 1 25 25 VAL H H 25 7.349 7.349 7.300 0.049 25065 4573 1 19 . 1 1 26 26 GLU HA H 26 4.029 4.029 4.182 -0.153 25065 4574 1 19 . 1 1 26 26 GLU CA C 26 58.870 58.870 58.018 0.852 25065 4575 1 19 . 1 1 26 26 GLU CB C 26 30.613 30.613 30.166 0.447 25065 4576 1 19 . 1 1 26 26 GLU H H 26 8.416 8.416 8.607 -0.191 25065 4577 1 19 . 1 1 27 27 ARG HA H 27 4.464 4.464 4.452 0.012 25065 4578 1 19 . 1 1 27 27 ARG CB C 27 32.007 32.007 32.142 -0.135 25065 4579 1 19 . 1 1 27 27 ARG H H 27 7.729 7.729 7.609 0.120 25065 4580 1 19 . 1 1 28 28 VAL HA H 28 4.077 4.077 4.730 -0.653 25065 4581 1 19 . 1 1 28 28 VAL CA C 28 61.719 61.719 60.689 1.030 25065 4582 1 19 . 1 1 28 28 VAL CB C 28 34.774 34.774 35.266 -0.492 25065 4583 1 19 . 1 1 28 28 VAL H H 28 8.344 8.344 8.502 -0.158 25065 4584 1 19 . 1 1 29 29 GLY H H 29 9.223 9.223 8.976 0.247 25065 4585 1 19 . 1 1 30 30 VAL HA H 30 3.581 3.581 3.826 -0.245 25065 4586 1 19 . 1 1 30 30 VAL CA C 30 64.307 64.307 63.704 0.603 25065 4587 1 19 . 1 1 30 30 VAL CB C 30 31.617 31.617 31.802 -0.185 25065 4588 1 19 . 1 1 30 30 VAL H H 30 8.155 8.155 8.642 -0.487 25065 4589 1 19 . 1 1 31 31 ASP HA H 31 5.041 5.041 4.644 0.397 25065 4590 1 19 . 1 1 31 31 ASP CB C 31 41.177 41.177 40.128 1.049 25065 4591 1 19 . 1 1 31 31 ASP H H 31 8.149 8.149 8.320 -0.171 25065 4592 1 19 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.624 -0.002 25065 4593 1 19 . 1 1 32 32 ASP CB C 32 41.799 41.799 41.275 0.524 25065 4594 1 19 . 1 1 32 32 ASP H H 32 7.289 7.289 7.507 -0.218 25065 4595 1 19 . 1 1 33 33 ALA HA H 33 4.093 4.093 4.828 -0.735 25065 4596 1 19 . 1 1 33 33 ALA CA C 33 51.549 51.549 51.157 0.392 25065 4597 1 19 . 1 1 33 33 ALA CB C 33 19.554 19.554 20.792 -1.238 25065 4598 1 19 . 1 1 33 33 ALA H H 33 8.885 8.885 8.486 0.399 25065 4599 1 19 . 1 1 34 34 PHE HA H 34 3.956 3.956 4.161 -0.205 25065 4600 1 19 . 1 1 34 34 PHE CA C 34 62.655 62.655 62.375 0.280 25065 4601 1 19 . 1 1 34 34 PHE CB C 34 40.196 40.196 39.554 0.642 25065 4602 1 19 . 1 1 34 34 PHE H H 34 8.409 8.409 8.936 -0.527 25065 4603 1 19 . 1 1 36 36 ASP HA H 36 4.494 4.494 4.516 -0.022 25065 4604 1 19 . 1 1 36 36 ASP CB C 36 40.185 40.185 41.090 -0.905 25065 4605 1 19 . 1 1 37 37 LEU HA H 37 4.347 4.347 4.177 0.170 25065 4606 1 19 . 1 1 37 37 LEU CB C 37 43.535 43.535 41.885 1.650 25065 4607 1 19 . 1 1 37 37 LEU H H 37 7.059 7.059 7.691 -0.632 25065 4608 1 19 . 1 1 38 38 GLY CA C 38 44.575 44.575 45.040 -0.465 25065 4609 1 19 . 1 1 38 38 GLY H H 38 7.451 7.451 7.213 0.238 25065 4610 1 19 . 1 1 39 39 GLY CA C 39 46.469 46.469 44.472 1.997 25065 4611 1 19 . 1 1 39 39 GLY H H 39 7.624 7.624 7.974 -0.350 25065 4612 1 19 . 1 1 40 40 SER HA H 40 4.936 4.936 4.915 0.021 25065 4613 1 19 . 1 1 40 40 SER CB C 40 66.690 66.690 66.120 0.570 25065 4614 1 19 . 1 1 40 40 SER H H 40 6.796 6.796 8.329 -1.533 25065 4615 1 19 . 1 1 42 42 ALA HA H 42 4.194 4.194 4.207 -0.013 25065 4616 1 19 . 1 1 42 42 ALA CB C 42 18.306 18.306 18.196 0.110 25065 4617 1 19 . 1 1 43 43 LEU HA H 43 4.163 4.163 4.123 0.040 25065 4618 1 19 . 1 1 43 43 LEU CB C 43 41.833 41.833 41.756 0.077 25065 4619 1 19 . 1 1 44 44 ALA HA H 44 3.612 3.612 3.398 0.214 25065 4620 1 19 . 1 1 44 44 ALA CA C 44 54.838 54.838 54.957 -0.119 25065 4621 1 19 . 1 1 44 44 ALA CB C 44 18.153 18.153 17.998 0.155 25065 4622 1 19 . 1 1 44 44 ALA H H 44 8.864 8.864 8.234 0.630 25065 4623 1 19 . 1 1 45 45 MET HA H 45 4.200 4.200 4.081 0.119 25065 4624 1 19 . 1 1 45 45 MET CA C 45 58.019 58.019 57.264 0.755 25065 4625 1 19 . 1 1 45 45 MET CB C 45 31.141 31.141 31.303 -0.162 25065 4626 1 19 . 1 1 45 45 MET H H 45 7.669 7.669 8.045 -0.376 25065 4627 1 19 . 1 1 46 46 ARG HA H 46 4.187 4.187 4.138 0.049 25065 4628 1 19 . 1 1 46 46 ARG CB C 46 29.748 29.748 29.577 0.171 25065 4629 1 19 . 1 1 46 46 ARG H H 46 7.239 7.239 7.650 -0.411 25065 4630 1 19 . 1 1 47 47 LEU HA H 47 3.914 3.914 4.066 -0.152 25065 4631 1 19 . 1 1 47 47 LEU CB C 47 41.255 41.255 41.480 -0.225 25065 4632 1 19 . 1 1 47 47 LEU H H 47 8.227 8.227 8.165 0.062 25065 4633 1 19 . 1 1 48 48 ILE HA H 48 3.552 3.552 3.461 0.091 25065 4634 1 19 . 1 1 48 48 ILE CA C 48 65.226 65.226 65.590 -0.364 25065 4635 1 19 . 1 1 48 48 ILE CB C 48 37.672 37.672 37.259 0.413 25065 4636 1 19 . 1 1 48 48 ILE H H 48 8.534 8.534 7.481 1.053 25065 4637 1 19 . 1 1 49 49 ALA HA H 49 4.199 4.199 3.918 0.281 25065 4638 1 19 . 1 1 49 49 ALA CB C 49 17.884 17.884 18.303 -0.419 25065 4639 1 19 . 1 1 49 49 ALA H H 49 7.620 7.620 7.692 -0.072 25065 4640 1 19 . 1 1 50 50 ARG HA H 50 4.240 4.240 4.117 0.123 25065 4641 1 19 . 1 1 50 50 ARG H H 50 7.973 7.973 8.107 -0.134 25065 4642 1 19 . 1 1 51 51 ILE HA H 51 3.368 3.368 3.691 -0.323 25065 4643 1 19 . 1 1 51 51 ILE CA C 51 66.422 66.422 65.521 0.901 25065 4644 1 19 . 1 1 51 51 ILE CB C 51 37.825 37.825 37.517 0.309 25065 4645 1 19 . 1 1 51 51 ILE H H 51 8.862 8.862 8.524 0.338 25065 4646 1 19 . 1 1 52 52 ARG HA H 52 4.061 4.061 4.241 -0.180 25065 4647 1 19 . 1 1 52 52 ARG CA C 52 59.614 59.614 58.898 0.716 25065 4648 1 19 . 1 1 52 52 ARG CB C 52 29.519 29.519 29.695 -0.176 25065 4649 1 19 . 1 1 52 52 ARG H H 52 7.861 7.861 7.993 -0.132 25065 4650 1 19 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.159 -0.190 25065 4651 1 19 . 1 1 53 53 GLU CA C 53 59.311 59.311 58.795 0.516 25065 4652 1 19 . 1 1 53 53 GLU CB C 53 30.277 30.277 29.624 0.653 25065 4653 1 19 . 1 1 53 53 GLU H H 53 7.847 7.847 7.650 0.197 25065 4654 1 19 . 1 1 54 54 GLU HA H 54 4.338 4.338 4.235 0.103 25065 4655 1 19 . 1 1 54 54 GLU CB C 54 30.642 30.642 30.458 0.184 25065 4656 1 19 . 1 1 54 54 GLU H H 54 8.514 8.514 8.062 0.452 25065 4657 1 19 . 1 1 55 55 LEU HA H 55 4.680 4.680 4.588 0.092 25065 4658 1 19 . 1 1 55 55 LEU CB C 55 43.328 43.328 43.223 0.105 25065 4659 1 19 . 1 1 55 55 LEU H H 55 8.658 8.658 8.283 0.375 25065 4660 1 19 . 1 1 56 56 GLY CA C 56 46.596 46.596 45.947 0.649 25065 4661 1 19 . 1 1 56 56 GLY H H 56 7.693 7.693 7.888 -0.195 25065 4662 1 19 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.334 0.083 25065 4663 1 19 . 1 1 57 57 VAL CB C 57 35.473 35.473 34.362 1.111 25065 4664 1 19 . 1 1 57 57 VAL H H 57 6.534 6.534 7.216 -0.682 25065 4665 1 19 . 1 1 58 58 ASP HA H 58 4.675 4.675 4.611 0.064 25065 4666 1 19 . 1 1 58 58 ASP CB C 58 41.821 41.821 41.494 0.327 25065 4667 1 19 . 1 1 58 58 ASP H H 58 8.555 8.555 8.384 0.171 25065 4668 1 19 . 1 1 59 59 LEU HA H 59 4.537 4.537 4.677 -0.140 25065 4669 1 19 . 1 1 59 59 LEU CB C 59 44.310 44.310 43.936 0.374 25065 4670 1 19 . 1 1 59 59 LEU H H 59 8.395 8.395 8.194 0.201 25065 4671 1 19 . 1 1 60 60 PRO HA H 60 4.418 4.418 4.561 -0.143 25065 4672 1 19 . 1 1 60 60 PRO CB C 60 32.391 32.391 32.941 -0.551 25065 4673 1 19 . 1 1 61 61 ILE HA H 61 3.635 3.635 3.392 0.243 25065 4674 1 19 . 1 1 61 61 ILE CB C 61 37.572 37.572 37.907 -0.335 25065 4675 1 19 . 1 1 61 61 ILE H H 61 8.748 8.748 8.569 0.179 25065 4676 1 19 . 1 1 62 62 ARG HA H 62 3.995 3.995 3.970 0.025 25065 4677 1 19 . 1 1 62 62 ARG CB C 62 29.519 29.519 29.779 -0.260 25065 4678 1 19 . 1 1 62 62 ARG H H 62 8.419 8.419 8.161 0.258 25065 4679 1 19 . 1 1 63 63 GLN HA H 63 4.027 4.027 4.113 -0.086 25065 4680 1 19 . 1 1 63 63 GLN CB C 63 28.519 28.519 28.758 -0.239 25065 4681 1 19 . 1 1 63 63 GLN H H 63 7.443 7.443 7.695 -0.252 25065 4682 1 19 . 1 1 64 64 LEU HA H 64 3.834 3.834 3.945 -0.111 25065 4683 1 19 . 1 1 64 64 LEU CB C 64 40.786 40.786 41.746 -0.960 25065 4684 1 19 . 1 1 64 64 LEU H H 64 7.261 7.261 7.173 0.088 25065 4685 1 19 . 1 1 65 65 PHE CB C 65 38.158 38.158 38.256 -0.098 25065 4686 1 19 . 1 1 65 65 PHE H H 65 7.405 7.405 7.421 -0.016 25065 4687 1 19 . 1 1 66 66 SER HA H 66 4.368 4.368 4.554 -0.186 25065 4688 1 19 . 1 1 66 66 SER CB C 66 63.456 63.456 64.010 -0.554 25065 4689 1 19 . 1 1 67 67 SER HA H 67 4.801 4.801 4.948 -0.147 25065 4690 1 19 . 1 1 67 67 SER CB C 67 64.236 64.236 63.313 0.923 25065 4691 1 19 . 1 1 67 67 SER H H 67 7.679 7.679 7.607 0.072 25065 4692 1 19 . 1 1 68 68 PRO HA H 68 4.982 4.982 4.756 0.226 25065 4693 1 19 . 1 1 68 68 PRO CB C 68 32.626 32.626 32.590 0.036 25065 4694 1 19 . 1 1 69 69 THR HA H 69 5.519 5.519 5.371 0.148 25065 4695 1 19 . 1 1 69 69 THR CA C 69 58.316 58.316 58.372 -0.056 25065 4696 1 19 . 1 1 69 69 THR H H 69 8.253 8.253 7.397 0.856 25065 4697 1 19 . 1 1 70 70 PRO HA H 70 3.787 3.787 3.945 -0.158 25065 4698 1 19 . 1 1 70 70 PRO CA C 70 65.995 65.995 65.417 0.578 25065 4699 1 19 . 1 1 70 70 PRO CB C 70 32.865 32.865 31.295 1.570 25065 4700 1 19 . 1 1 71 71 ALA HA H 71 4.122 4.122 4.592 -0.470 25065 4701 1 19 . 1 1 71 71 ALA CA C 71 55.368 55.368 54.449 0.919 25065 4702 1 19 . 1 1 71 71 ALA CB C 71 18.613 18.613 18.313 0.300 25065 4703 1 19 . 1 1 71 71 ALA H H 71 8.775 8.775 7.641 1.134 25065 4704 1 19 . 1 1 72 72 GLY H H 72 8.186 8.186 7.744 0.442 25065 4705 1 19 . 1 1 73 73 VAL HA H 73 3.565 3.565 3.723 -0.158 25065 4706 1 19 . 1 1 73 73 VAL CA C 73 66.671 66.671 65.553 1.118 25065 4707 1 19 . 1 1 73 73 VAL CB C 73 31.440 31.440 31.035 0.405 25065 4708 1 19 . 1 1 73 73 VAL H H 73 9.142 9.142 7.569 1.573 25065 4709 1 19 . 1 1 74 74 ALA HA H 74 3.772 3.772 3.996 -0.224 25065 4710 1 19 . 1 1 74 74 ALA CA C 74 55.788 55.788 55.635 0.153 25065 4711 1 19 . 1 1 74 74 ALA CB C 74 18.080 18.080 18.342 -0.262 25065 4712 1 19 . 1 1 74 74 ALA H H 74 8.659 8.659 8.636 0.023 25065 4713 1 19 . 1 1 75 75 ARG HA H 75 4.043 4.043 4.080 -0.037 25065 4714 1 19 . 1 1 75 75 ARG CA C 75 59.563 59.563 58.889 0.674 25065 4715 1 19 . 1 1 75 75 ARG CB C 75 30.311 30.311 29.871 0.440 25065 4716 1 19 . 1 1 75 75 ARG H H 75 7.694 7.694 7.706 -0.012 25065 4717 1 19 . 1 1 76 76 ALA HA H 76 4.153 4.153 4.179 -0.026 25065 4718 1 19 . 1 1 76 76 ALA CA C 76 54.796 54.796 54.672 0.124 25065 4719 1 19 . 1 1 76 76 ALA CB C 76 17.493 17.493 18.298 -0.805 25065 4720 1 19 . 1 1 76 76 ALA H H 76 7.877 7.877 7.673 0.204 25065 4721 1 19 . 1 1 77 77 LEU HA H 77 3.974 3.974 3.912 0.062 25065 4722 1 19 . 1 1 77 77 LEU H H 77 8.484 8.484 8.220 0.264 25065 4723 1 19 . 1 1 78 78 ALA HA H 78 4.192 4.192 4.078 0.114 25065 4724 1 19 . 1 1 78 78 ALA CB C 78 18.191 18.191 18.434 -0.243 25065 4725 1 19 . 1 1 79 79 ALA HA H 79 4.193 4.193 4.109 0.084 25065 4726 1 19 . 1 1 79 79 ALA CA C 79 53.313 53.313 54.343 -1.030 25065 4727 1 19 . 1 1 79 79 ALA CB C 79 18.379 18.379 18.547 -0.168 25065 4728 1 19 . 1 1 79 79 ALA H H 79 7.624 7.624 7.786 -0.162 25065 4729 1 19 . 1 1 80 80 LYS HA H 80 4.241 4.241 4.161 0.080 25065 4730 1 19 . 1 1 80 80 LYS CA C 80 56.363 56.363 58.127 -1.764 25065 4731 1 19 . 1 1 80 80 LYS CB C 80 32.340 32.340 32.925 -0.585 25065 4732 1 19 . 1 1 80 80 LYS H H 80 7.759 7.759 7.724 0.035 25065 4733 1 19 . 1 1 81 81 SER H H 81 7.888 7.888 7.681 0.207 25065 4734 1 19 . 1 1 83 83 SER HA H 83 4.323 4.323 4.179 0.144 25065 4735 1 19 . 1 1 83 83 SER CA C 83 58.644 58.644 59.134 -0.490 25065 4736 1 19 . 1 1 83 83 SER CB C 83 63.434 63.434 63.235 0.199 25065 4737 1 19 . 1 1 84 84 TRP HA H 84 4.645 4.645 4.825 -0.180 25065 4738 1 19 . 1 1 84 84 TRP CB C 84 29.473 29.473 30.623 -1.151 25065 4739 1 19 . 1 1 85 85 SER HA H 85 4.314 4.314 4.524 -0.210 25065 4740 1 19 . 1 1 85 85 SER CB C 85 63.726 63.726 63.608 0.118 25065 4741 1 19 . 1 1 87 87 PRO HA H 87 4.323 4.323 4.430 -0.107 25065 4742 1 19 . 1 1 87 87 PRO CB C 87 31.915 31.915 32.495 -0.580 25065 4743 1 19 . 1 1 88 88 GLN HA H 88 4.242 4.242 4.416 -0.174 25065 4744 1 19 . 1 1 88 88 GLN CA C 88 55.771 55.771 55.386 0.385 25065 4745 1 19 . 1 1 88 88 GLN CB C 88 29.293 29.293 29.463 -0.170 25065 4746 1 19 . 1 1 89 89 PHE HA H 89 4.650 4.650 4.414 0.236 25065 4747 1 19 . 1 1 89 89 PHE CB C 89 39.577 39.577 39.642 -0.065 25065 4748 1 19 . 1 1 90 90 GLU HA H 90 4.241 4.241 4.363 -0.122 25065 4749 1 19 . 1 1 90 90 GLU CA C 90 56.363 56.363 56.299 0.064 25065 4750 1 19 . 1 1 90 90 GLU CB C 90 30.354 30.354 30.503 -0.149 25065 4751 1 20 . 1 1 3 3 MET HA H 3 4.414 4.414 4.173 0.241 25065 4752 1 20 . 1 1 3 3 MET H H 3 8.447 8.447 8.106 0.341 25065 4753 1 20 . 1 1 5 5 LYS HA H 5 4.253 4.253 4.354 -0.101 25065 4754 1 20 . 1 1 5 5 LYS CA C 5 55.810 55.810 56.086 -0.276 25065 4755 1 20 . 1 1 6 6 ALA HA H 6 4.551 4.551 4.107 0.444 25065 4756 1 20 . 1 1 6 6 ALA CB C 6 17.947 17.947 17.977 -0.030 25065 4757 1 20 . 1 1 6 6 ALA H H 6 8.400 8.400 7.737 0.663 25065 4758 1 20 . 1 1 7 7 PRO HA H 7 4.318 4.318 4.656 -0.338 25065 4759 1 20 . 1 1 7 7 PRO CB C 7 31.974 31.974 32.891 -0.917 25065 4760 1 20 . 1 1 8 8 GLU HA H 8 4.366 4.366 4.412 -0.046 25065 4761 1 20 . 1 1 8 8 GLU CB C 8 30.764 30.764 31.177 -0.413 25065 4762 1 20 . 1 1 8 8 GLU H H 8 8.738 8.738 8.862 -0.124 25065 4763 1 20 . 1 1 9 9 SER HA H 9 4.521 4.521 4.547 -0.026 25065 4764 1 20 . 1 1 9 9 SER CB C 9 65.043 65.043 64.172 0.871 25065 4765 1 20 . 1 1 9 9 SER H H 9 8.724 8.724 8.344 0.381 25065 4766 1 20 . 1 1 10 10 ALA HA H 10 4.082 4.082 4.140 -0.058 25065 4767 1 20 . 1 1 10 10 ALA CB C 10 18.166 18.166 18.553 -0.387 25065 4768 1 20 . 1 1 10 10 ALA H H 10 8.547 8.547 8.992 -0.445 25065 4769 1 20 . 1 1 11 11 THR HA H 11 3.809 3.809 4.013 -0.204 25065 4770 1 20 . 1 1 11 11 THR CA C 11 66.711 66.711 65.881 0.830 25065 4771 1 20 . 1 1 11 11 THR CB C 11 68.400 68.400 68.342 0.058 25065 4772 1 20 . 1 1 11 11 THR H H 11 8.186 8.186 7.669 0.517 25065 4773 1 20 . 1 1 12 12 GLU HA H 12 3.576 3.576 3.994 -0.418 25065 4774 1 20 . 1 1 12 12 GLU CA C 12 60.604 60.604 58.966 1.638 25065 4775 1 20 . 1 1 12 12 GLU CB C 12 29.805 29.805 29.105 0.700 25065 4776 1 20 . 1 1 12 12 GLU H H 12 8.073 8.073 7.730 0.343 25065 4777 1 20 . 1 1 13 13 LYS HA H 13 3.888 3.888 4.045 -0.157 25065 4778 1 20 . 1 1 13 13 LYS CA C 13 60.352 60.352 59.575 0.777 25065 4779 1 20 . 1 1 13 13 LYS CB C 13 32.257 32.257 32.147 0.110 25065 4780 1 20 . 1 1 13 13 LYS H H 13 8.180 8.180 7.744 0.436 25065 4781 1 20 . 1 1 14 14 VAL HA H 14 3.777 3.777 3.865 -0.088 25065 4782 1 20 . 1 1 14 14 VAL CA C 14 66.089 66.089 65.175 0.914 25065 4783 1 20 . 1 1 14 14 VAL CB C 14 31.861 31.861 31.118 0.743 25065 4784 1 20 . 1 1 14 14 VAL H H 14 7.760 7.760 7.392 0.368 25065 4785 1 20 . 1 1 15 15 LEU HA H 15 3.972 3.972 4.178 -0.206 25065 4786 1 20 . 1 1 15 15 LEU CB C 15 42.097 42.097 41.416 0.681 25065 4787 1 20 . 1 1 15 15 LEU H H 15 8.326 8.326 7.511 0.815 25065 4788 1 20 . 1 1 16 16 CYS HA H 16 3.638 3.638 3.842 -0.204 25065 4789 1 20 . 1 1 16 16 CYS CA C 16 65.055 65.055 62.773 2.282 25065 4790 1 20 . 1 1 16 16 CYS CB C 16 26.610 26.610 26.230 0.380 25065 4791 1 20 . 1 1 16 16 CYS H H 16 8.531 8.531 8.420 0.111 25065 4792 1 20 . 1 1 17 17 ALA HA H 17 4.203 4.203 4.166 0.037 25065 4793 1 20 . 1 1 17 17 ALA CA C 17 55.289 55.289 55.210 0.079 25065 4794 1 20 . 1 1 17 17 ALA CB C 17 17.539 17.539 18.244 -0.705 25065 4795 1 20 . 1 1 17 17 ALA H H 17 7.629 7.629 7.489 0.140 25065 4796 1 20 . 1 1 18 18 LEU HA H 18 4.226 4.226 4.098 0.128 25065 4797 1 20 . 1 1 18 18 LEU CA C 18 57.699 57.699 57.825 -0.126 25065 4798 1 20 . 1 1 18 18 LEU CB C 18 42.382 42.382 40.740 1.642 25065 4799 1 20 . 1 1 18 18 LEU H H 18 8.673 8.673 8.126 0.547 25065 4800 1 20 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.228 -0.252 25065 4801 1 20 . 1 1 19 19 TYR CB C 19 39.575 39.575 37.203 2.372 25065 4802 1 20 . 1 1 19 19 TYR H H 19 9.180 9.180 8.869 0.311 25065 4803 1 20 . 1 1 20 20 ALA HA H 20 3.885 3.885 3.978 -0.093 25065 4804 1 20 . 1 1 20 20 ALA CA C 20 55.942 55.942 55.148 0.794 25065 4805 1 20 . 1 1 20 20 ALA CB C 20 17.847 17.847 18.103 -0.256 25065 4806 1 20 . 1 1 20 20 ALA H H 20 7.772 7.772 7.746 0.026 25065 4807 1 20 . 1 1 21 21 GLU HA H 21 3.995 3.995 3.981 0.014 25065 4808 1 20 . 1 1 21 21 GLU CA C 21 58.905 58.905 59.367 -0.462 25065 4809 1 20 . 1 1 21 21 GLU CB C 21 30.342 30.342 29.797 0.545 25065 4810 1 20 . 1 1 22 22 ILE HA H 22 3.917 3.917 3.883 0.034 25065 4811 1 20 . 1 1 22 22 ILE CA C 22 61.642 61.642 64.273 -2.631 25065 4812 1 20 . 1 1 22 22 ILE CB C 22 37.107 37.107 38.485 -1.378 25065 4813 1 20 . 1 1 22 22 ILE H H 22 8.299 8.299 7.574 0.725 25065 4814 1 20 . 1 1 23 23 LEU HA H 23 4.134 4.134 4.280 -0.146 25065 4815 1 20 . 1 1 23 23 LEU CA C 23 55.302 55.302 55.102 0.200 25065 4816 1 20 . 1 1 23 23 LEU CB C 23 42.218 42.218 42.552 -0.334 25065 4817 1 20 . 1 1 23 23 LEU H H 23 8.477 8.477 7.764 0.713 25065 4818 1 20 . 1 1 24 24 GLY CA C 24 46.801 46.801 45.610 1.191 25065 4819 1 20 . 1 1 24 24 GLY H H 24 7.853 7.853 7.754 0.099 25065 4820 1 20 . 1 1 25 25 VAL HA H 25 4.590 4.590 4.371 0.219 25065 4821 1 20 . 1 1 25 25 VAL CB C 25 34.203 34.203 33.067 1.136 25065 4822 1 20 . 1 1 25 25 VAL H H 25 7.349 7.349 7.470 -0.121 25065 4823 1 20 . 1 1 26 26 GLU HA H 26 4.029 4.029 4.172 -0.143 25065 4824 1 20 . 1 1 26 26 GLU CA C 26 58.870 58.870 58.114 0.756 25065 4825 1 20 . 1 1 26 26 GLU CB C 26 30.613 30.613 29.971 0.642 25065 4826 1 20 . 1 1 26 26 GLU H H 26 8.416 8.416 8.635 -0.219 25065 4827 1 20 . 1 1 27 27 ARG HA H 27 4.464 4.464 4.442 0.022 25065 4828 1 20 . 1 1 27 27 ARG CB C 27 32.007 32.007 32.140 -0.133 25065 4829 1 20 . 1 1 27 27 ARG H H 27 7.729 7.729 7.736 -0.007 25065 4830 1 20 . 1 1 28 28 VAL HA H 28 4.077 4.077 4.400 -0.323 25065 4831 1 20 . 1 1 28 28 VAL CA C 28 61.719 61.719 60.873 0.846 25065 4832 1 20 . 1 1 28 28 VAL CB C 28 34.774 34.774 35.208 -0.434 25065 4833 1 20 . 1 1 28 28 VAL H H 28 8.344 8.344 8.447 -0.103 25065 4834 1 20 . 1 1 29 29 GLY H H 29 9.223 9.223 9.322 -0.099 25065 4835 1 20 . 1 1 30 30 VAL HA H 30 3.581 3.581 3.912 -0.331 25065 4836 1 20 . 1 1 30 30 VAL CA C 30 64.307 64.307 64.275 0.032 25065 4837 1 20 . 1 1 30 30 VAL CB C 30 31.617 31.617 31.817 -0.200 25065 4838 1 20 . 1 1 30 30 VAL H H 30 8.155 8.155 8.397 -0.242 25065 4839 1 20 . 1 1 31 31 ASP HA H 31 5.041 5.041 4.694 0.347 25065 4840 1 20 . 1 1 31 31 ASP CB C 31 41.177 41.177 41.283 -0.106 25065 4841 1 20 . 1 1 31 31 ASP H H 31 8.149 8.149 8.090 0.059 25065 4842 1 20 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.722 -0.100 25065 4843 1 20 . 1 1 32 32 ASP CB C 32 41.799 41.799 41.260 0.539 25065 4844 1 20 . 1 1 32 32 ASP H H 32 7.289 7.289 7.732 -0.443 25065 4845 1 20 . 1 1 33 33 ALA HA H 33 4.093 4.093 4.551 -0.458 25065 4846 1 20 . 1 1 33 33 ALA CA C 33 51.549 51.549 51.791 -0.242 25065 4847 1 20 . 1 1 33 33 ALA CB C 33 19.554 19.554 19.966 -0.412 25065 4848 1 20 . 1 1 33 33 ALA H H 33 8.885 8.885 8.674 0.211 25065 4849 1 20 . 1 1 34 34 PHE HA H 34 3.956 3.956 4.079 -0.123 25065 4850 1 20 . 1 1 34 34 PHE CA C 34 62.655 62.655 62.239 0.416 25065 4851 1 20 . 1 1 34 34 PHE CB C 34 40.196 40.196 39.382 0.814 25065 4852 1 20 . 1 1 34 34 PHE H H 34 8.409 8.409 8.388 0.021 25065 4853 1 20 . 1 1 36 36 ASP HA H 36 4.494 4.494 4.500 -0.006 25065 4854 1 20 . 1 1 36 36 ASP CB C 36 40.185 40.185 40.779 -0.594 25065 4855 1 20 . 1 1 37 37 LEU HA H 37 4.347 4.347 4.170 0.177 25065 4856 1 20 . 1 1 37 37 LEU CB C 37 43.535 43.535 42.352 1.183 25065 4857 1 20 . 1 1 37 37 LEU H H 37 7.059 7.059 7.732 -0.673 25065 4858 1 20 . 1 1 38 38 GLY CA C 38 44.575 44.575 44.485 0.090 25065 4859 1 20 . 1 1 38 38 GLY H H 38 7.451 7.451 7.478 -0.027 25065 4860 1 20 . 1 1 39 39 GLY CA C 39 46.469 46.469 43.865 2.604 25065 4861 1 20 . 1 1 39 39 GLY H H 39 7.624 7.624 7.789 -0.165 25065 4862 1 20 . 1 1 40 40 SER HA H 40 4.936 4.936 4.758 0.178 25065 4863 1 20 . 1 1 40 40 SER CB C 40 66.690 66.690 64.632 2.058 25065 4864 1 20 . 1 1 40 40 SER H H 40 6.796 6.796 7.976 -1.180 25065 4865 1 20 . 1 1 42 42 ALA HA H 42 4.194 4.194 4.113 0.081 25065 4866 1 20 . 1 1 42 42 ALA CB C 42 18.306 18.306 18.082 0.224 25065 4867 1 20 . 1 1 43 43 LEU HA H 43 4.163 4.163 4.079 0.084 25065 4868 1 20 . 1 1 43 43 LEU CB C 43 41.833 41.833 41.539 0.294 25065 4869 1 20 . 1 1 44 44 ALA HA H 44 3.612 3.612 3.500 0.112 25065 4870 1 20 . 1 1 44 44 ALA CA C 44 54.838 54.838 54.934 -0.096 25065 4871 1 20 . 1 1 44 44 ALA CB C 44 18.153 18.153 18.060 0.093 25065 4872 1 20 . 1 1 44 44 ALA H H 44 8.864 8.864 8.165 0.699 25065 4873 1 20 . 1 1 45 45 MET HA H 45 4.200 4.200 4.008 0.192 25065 4874 1 20 . 1 1 45 45 MET CA C 45 58.019 58.019 59.390 -1.371 25065 4875 1 20 . 1 1 45 45 MET CB C 45 31.141 31.141 32.603 -1.462 25065 4876 1 20 . 1 1 45 45 MET H H 45 7.669 7.669 8.072 -0.403 25065 4877 1 20 . 1 1 46 46 ARG HA H 46 4.187 4.187 4.115 0.072 25065 4878 1 20 . 1 1 46 46 ARG CB C 46 29.748 29.748 29.392 0.356 25065 4879 1 20 . 1 1 46 46 ARG H H 46 7.239 7.239 7.569 -0.330 25065 4880 1 20 . 1 1 47 47 LEU HA H 47 3.914 3.914 3.995 -0.081 25065 4881 1 20 . 1 1 47 47 LEU CB C 47 41.255 41.255 41.349 -0.094 25065 4882 1 20 . 1 1 47 47 LEU H H 47 8.227 8.227 8.158 0.069 25065 4883 1 20 . 1 1 48 48 ILE HA H 48 3.552 3.552 3.479 0.073 25065 4884 1 20 . 1 1 48 48 ILE CA C 48 65.226 65.226 65.503 -0.277 25065 4885 1 20 . 1 1 48 48 ILE CB C 48 37.672 37.672 37.273 0.399 25065 4886 1 20 . 1 1 48 48 ILE H H 48 8.534 8.534 7.407 1.127 25065 4887 1 20 . 1 1 49 49 ALA HA H 49 4.199 4.199 3.912 0.287 25065 4888 1 20 . 1 1 49 49 ALA CB C 49 17.884 17.884 18.268 -0.384 25065 4889 1 20 . 1 1 49 49 ALA H H 49 7.620 7.620 7.506 0.114 25065 4890 1 20 . 1 1 50 50 ARG HA H 50 4.240 4.240 4.152 0.088 25065 4891 1 20 . 1 1 50 50 ARG H H 50 7.973 7.973 7.824 0.149 25065 4892 1 20 . 1 1 51 51 ILE HA H 51 3.368 3.368 3.715 -0.347 25065 4893 1 20 . 1 1 51 51 ILE CA C 51 66.422 66.422 65.439 0.983 25065 4894 1 20 . 1 1 51 51 ILE CB C 51 37.825 37.825 37.483 0.342 25065 4895 1 20 . 1 1 51 51 ILE H H 51 8.862 8.862 8.439 0.423 25065 4896 1 20 . 1 1 52 52 ARG HA H 52 4.061 4.061 4.152 -0.091 25065 4897 1 20 . 1 1 52 52 ARG CA C 52 59.614 59.614 58.828 0.786 25065 4898 1 20 . 1 1 52 52 ARG CB C 52 29.519 29.519 29.602 -0.083 25065 4899 1 20 . 1 1 52 52 ARG H H 52 7.861 7.861 8.029 -0.168 25065 4900 1 20 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.107 -0.138 25065 4901 1 20 . 1 1 53 53 GLU CA C 53 59.311 59.311 58.856 0.455 25065 4902 1 20 . 1 1 53 53 GLU CB C 53 30.277 30.277 29.614 0.663 25065 4903 1 20 . 1 1 53 53 GLU H H 53 7.847 7.847 7.609 0.238 25065 4904 1 20 . 1 1 54 54 GLU HA H 54 4.338 4.338 4.202 0.136 25065 4905 1 20 . 1 1 54 54 GLU CB C 54 30.642 30.642 30.420 0.222 25065 4906 1 20 . 1 1 54 54 GLU H H 54 8.514 8.514 7.836 0.678 25065 4907 1 20 . 1 1 55 55 LEU HA H 55 4.680 4.680 4.596 0.084 25065 4908 1 20 . 1 1 55 55 LEU CB C 55 43.328 43.328 43.159 0.169 25065 4909 1 20 . 1 1 55 55 LEU H H 55 8.658 8.658 8.339 0.319 25065 4910 1 20 . 1 1 56 56 GLY CA C 56 46.596 46.596 45.446 1.150 25065 4911 1 20 . 1 1 56 56 GLY H H 56 7.693 7.693 7.641 0.052 25065 4912 1 20 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.457 -0.040 25065 4913 1 20 . 1 1 57 57 VAL CB C 57 35.473 35.473 34.421 1.052 25065 4914 1 20 . 1 1 57 57 VAL H H 57 6.534 6.534 7.495 -0.961 25065 4915 1 20 . 1 1 58 58 ASP HA H 58 4.675 4.675 4.782 -0.107 25065 4916 1 20 . 1 1 58 58 ASP CB C 58 41.821 41.821 42.306 -0.485 25065 4917 1 20 . 1 1 58 58 ASP H H 58 8.555 8.555 8.437 0.118 25065 4918 1 20 . 1 1 59 59 LEU HA H 59 4.537 4.537 4.801 -0.264 25065 4919 1 20 . 1 1 59 59 LEU CB C 59 44.310 44.310 44.818 -0.508 25065 4920 1 20 . 1 1 59 59 LEU H H 59 8.395 8.395 8.196 0.199 25065 4921 1 20 . 1 1 60 60 PRO HA H 60 4.418 4.418 4.688 -0.270 25065 4922 1 20 . 1 1 60 60 PRO CB C 60 32.391 32.391 33.303 -0.912 25065 4923 1 20 . 1 1 61 61 ILE HA H 61 3.635 3.635 3.821 -0.186 25065 4924 1 20 . 1 1 61 61 ILE CB C 61 37.572 37.572 38.388 -0.816 25065 4925 1 20 . 1 1 61 61 ILE H H 61 8.748 8.748 8.683 0.065 25065 4926 1 20 . 1 1 62 62 ARG HA H 62 3.995 3.995 4.158 -0.163 25065 4927 1 20 . 1 1 62 62 ARG CB C 62 29.519 29.519 29.014 0.505 25065 4928 1 20 . 1 1 62 62 ARG H H 62 8.419 8.419 8.560 -0.141 25065 4929 1 20 . 1 1 63 63 GLN HA H 63 4.027 4.027 4.206 -0.179 25065 4930 1 20 . 1 1 63 63 GLN CB C 63 28.519 28.519 27.828 0.690 25065 4931 1 20 . 1 1 63 63 GLN H H 63 7.443 7.443 7.684 -0.241 25065 4932 1 20 . 1 1 64 64 LEU HA H 64 3.834 3.834 4.036 -0.202 25065 4933 1 20 . 1 1 64 64 LEU CB C 64 40.786 40.786 41.831 -1.045 25065 4934 1 20 . 1 1 64 64 LEU H H 64 7.261 7.261 7.489 -0.228 25065 4935 1 20 . 1 1 65 65 PHE CB C 65 38.158 38.158 39.287 -1.129 25065 4936 1 20 . 1 1 65 65 PHE H H 65 7.405 7.405 8.061 -0.656 25065 4937 1 20 . 1 1 66 66 SER HA H 66 4.368 4.368 4.588 -0.220 25065 4938 1 20 . 1 1 66 66 SER CB C 66 63.456 63.456 64.583 -1.127 25065 4939 1 20 . 1 1 67 67 SER HA H 67 4.801 4.801 4.878 -0.077 25065 4940 1 20 . 1 1 67 67 SER CB C 67 64.236 64.236 63.564 0.672 25065 4941 1 20 . 1 1 67 67 SER H H 67 7.679 7.679 7.593 0.086 25065 4942 1 20 . 1 1 68 68 PRO HA H 68 4.982 4.982 4.778 0.204 25065 4943 1 20 . 1 1 68 68 PRO CB C 68 32.626 32.626 32.201 0.425 25065 4944 1 20 . 1 1 69 69 THR HA H 69 5.519 5.519 5.184 0.335 25065 4945 1 20 . 1 1 69 69 THR CA C 69 58.316 58.316 59.014 -0.697 25065 4946 1 20 . 1 1 69 69 THR H H 69 8.253 8.253 7.494 0.759 25065 4947 1 20 . 1 1 70 70 PRO HA H 70 3.787 3.787 3.793 -0.006 25065 4948 1 20 . 1 1 70 70 PRO CA C 70 65.995 65.995 65.461 0.534 25065 4949 1 20 . 1 1 70 70 PRO CB C 70 32.865 32.865 31.242 1.623 25065 4950 1 20 . 1 1 71 71 ALA HA H 71 4.122 4.122 4.035 0.087 25065 4951 1 20 . 1 1 71 71 ALA CA C 71 55.368 55.368 54.536 0.832 25065 4952 1 20 . 1 1 71 71 ALA CB C 71 18.613 18.613 18.411 0.202 25065 4953 1 20 . 1 1 71 71 ALA H H 71 8.775 8.775 7.942 0.833 25065 4954 1 20 . 1 1 72 72 GLY H H 72 8.186 8.186 7.540 0.645 25065 4955 1 20 . 1 1 73 73 VAL HA H 73 3.565 3.565 3.611 -0.046 25065 4956 1 20 . 1 1 73 73 VAL CA C 73 66.671 66.671 65.829 0.842 25065 4957 1 20 . 1 1 73 73 VAL CB C 73 31.440 31.440 31.499 -0.059 25065 4958 1 20 . 1 1 73 73 VAL H H 73 9.142 9.142 7.846 1.296 25065 4959 1 20 . 1 1 74 74 ALA HA H 74 3.772 3.772 3.960 -0.188 25065 4960 1 20 . 1 1 74 74 ALA CA C 74 55.788 55.788 55.216 0.572 25065 4961 1 20 . 1 1 74 74 ALA CB C 74 18.080 18.080 18.195 -0.115 25065 4962 1 20 . 1 1 74 74 ALA H H 74 8.659 8.659 7.706 0.953 25065 4963 1 20 . 1 1 75 75 ARG HA H 75 4.043 4.043 4.053 -0.010 25065 4964 1 20 . 1 1 75 75 ARG CA C 75 59.563 59.563 58.758 0.805 25065 4965 1 20 . 1 1 75 75 ARG CB C 75 30.311 30.311 29.777 0.534 25065 4966 1 20 . 1 1 75 75 ARG H H 75 7.694 7.694 7.705 -0.011 25065 4967 1 20 . 1 1 76 76 ALA HA H 76 4.153 4.153 4.188 -0.035 25065 4968 1 20 . 1 1 76 76 ALA CA C 76 54.796 54.796 54.642 0.154 25065 4969 1 20 . 1 1 76 76 ALA CB C 76 17.493 17.493 18.335 -0.842 25065 4970 1 20 . 1 1 76 76 ALA H H 76 7.877 7.877 8.199 -0.322 25065 4971 1 20 . 1 1 77 77 LEU HA H 77 3.974 3.974 4.035 -0.061 25065 4972 1 20 . 1 1 77 77 LEU H H 77 8.484 8.484 7.599 0.885 25065 4973 1 20 . 1 1 78 78 ALA HA H 78 4.192 4.192 3.928 0.264 25065 4974 1 20 . 1 1 78 78 ALA CB C 78 18.191 18.191 18.049 0.142 25065 4975 1 20 . 1 1 79 79 ALA HA H 79 4.193 4.193 4.107 0.086 25065 4976 1 20 . 1 1 79 79 ALA CA C 79 53.313 53.313 54.550 -1.237 25065 4977 1 20 . 1 1 79 79 ALA CB C 79 18.379 18.379 18.496 -0.117 25065 4978 1 20 . 1 1 79 79 ALA H H 79 7.624 7.624 7.671 -0.047 25065 4979 1 20 . 1 1 80 80 LYS HA H 80 4.241 4.241 4.105 0.136 25065 4980 1 20 . 1 1 80 80 LYS CA C 80 56.363 56.363 58.428 -2.066 25065 4981 1 20 . 1 1 80 80 LYS CB C 80 32.340 32.340 32.275 0.065 25065 4982 1 20 . 1 1 80 80 LYS H H 80 7.759 7.759 7.722 0.037 25065 4983 1 20 . 1 1 81 81 SER H H 81 7.888 7.888 8.272 -0.384 25065 4984 1 20 . 1 1 83 83 SER HA H 83 4.323 4.323 4.601 -0.278 25065 4985 1 20 . 1 1 83 83 SER CA C 83 58.644 58.644 56.658 1.986 25065 4986 1 20 . 1 1 83 83 SER CB C 83 63.434 63.434 64.169 -0.735 25065 4987 1 20 . 1 1 84 84 TRP HA H 84 4.645 4.645 4.319 0.326 25065 4988 1 20 . 1 1 84 84 TRP CB C 84 29.473 29.473 29.827 -0.354 25065 4989 1 20 . 1 1 85 85 SER HA H 85 4.314 4.314 4.069 0.245 25065 4990 1 20 . 1 1 85 85 SER CB C 85 63.726 63.726 63.334 0.392 25065 4991 1 20 . 1 1 87 87 PRO HA H 87 4.323 4.323 4.383 -0.060 25065 4992 1 20 . 1 1 87 87 PRO CB C 87 31.915 31.915 32.119 -0.204 25065 4993 1 20 . 1 1 88 88 GLN HA H 88 4.242 4.242 4.285 -0.043 25065 4994 1 20 . 1 1 88 88 GLN CA C 88 55.771 55.771 54.664 1.107 25065 4995 1 20 . 1 1 88 88 GLN CB C 88 29.293 29.293 30.326 -1.032 25065 4996 1 20 . 1 1 89 89 PHE HA H 89 4.650 4.650 4.148 0.502 25065 4997 1 20 . 1 1 89 89 PHE CB C 89 39.577 39.577 37.213 2.364 25065 4998 1 20 . 1 1 90 90 GLU HA H 90 4.241 4.241 4.370 -0.129 25065 4999 1 20 . 1 1 90 90 GLU CA C 90 56.363 56.363 56.766 -0.403 25065 5000 1 20 . 1 1 90 90 GLU CB C 90 30.354 30.354 30.726 -0.372 25065 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 0 0.000 0.000 0.000 25065 2 1 1 "Average Difference" HA 85 0.290 0.050 0.288 25065 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25065 4 1 1 "Average Difference" CA 39 0.785 -0.248 0.755 25065 5 1 1 "Average Difference" CB 71 0.776 0.007 0.782 25065 6 1 1 "Average Difference" HN 65 0.483 -0.110 0.474 25065 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25065 8 1 2 "Average Difference" HA 85 0.274 0.063 0.269 25065 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25065 10 1 2 "Average Difference" CA 39 1.031 -0.378 0.972 25065 11 1 2 "Average Difference" CB 71 0.666 -0.051 0.668 25065 12 1 2 "Average Difference" HN 65 0.450 -0.087 0.444 25065 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25065 14 1 3 "Average Difference" HA 85 0.278 0.059 0.273 25065 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25065 16 1 3 "Average Difference" CA 39 1.071 -0.307 1.040 25065 17 1 3 "Average Difference" CB 71 0.928 -0.035 0.934 25065 18 1 3 "Average Difference" HN 65 0.460 -0.053 0.460 25065 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25065 20 1 4 "Average Difference" HA 85 0.280 0.055 0.276 25065 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25065 22 1 4 "Average Difference" CA 39 0.991 -0.355 0.938 25065 23 1 4 "Average Difference" CB 71 0.892 -0.047 0.897 25065 24 1 4 "Average Difference" HN 65 0.447 -0.051 0.447 25065 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25065 26 1 5 "Average Difference" HA 85 0.277 0.037 0.277 25065 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25065 28 1 5 "Average Difference" CA 39 0.906 -0.280 0.873 25065 29 1 5 "Average Difference" CB 71 0.776 -0.070 0.778 25065 30 1 5 "Average Difference" HN 65 0.476 -0.082 0.472 25065 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25065 32 1 6 "Average Difference" HA 85 0.283 0.043 0.282 25065 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25065 34 1 6 "Average Difference" CA 39 1.048 -0.311 1.014 25065 35 1 6 "Average Difference" CB 71 0.796 -0.087 0.797 25065 36 1 6 "Average Difference" HN 65 0.412 -0.040 0.413 25065 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25065 38 1 7 "Average Difference" HA 85 0.296 0.052 0.293 25065 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25065 40 1 7 "Average Difference" CA 39 0.934 -0.285 0.901 25065 41 1 7 "Average Difference" CB 71 0.922 -0.108 0.922 25065 42 1 7 "Average Difference" HN 65 0.485 -0.087 0.481 25065 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25065 44 1 8 "Average Difference" HA 85 0.294 0.045 0.292 25065 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25065 46 1 8 "Average Difference" CA 39 0.992 -0.285 0.962 25065 47 1 8 "Average Difference" CB 71 0.949 -0.110 0.950 25065 48 1 8 "Average Difference" HN 65 0.452 -0.072 0.450 25065 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25065 50 1 9 "Average Difference" HA 85 0.253 0.040 0.251 25065 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25065 52 1 9 "Average Difference" CA 39 1.114 -0.399 1.054 25065 53 1 9 "Average Difference" CB 71 0.831 -0.140 0.824 25065 54 1 9 "Average Difference" HN 65 0.425 -0.094 0.417 25065 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25065 56 1 10 "Average Difference" HA 85 0.261 0.038 0.260 25065 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25065 58 1 10 "Average Difference" CA 39 1.094 -0.259 1.077 25065 59 1 10 "Average Difference" CB 71 0.746 -0.070 0.748 25065 60 1 10 "Average Difference" HN 65 0.466 -0.082 0.462 25065 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25065 62 1 11 "Average Difference" HA 85 0.277 0.038 0.276 25065 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25065 64 1 11 "Average Difference" CA 39 1.001 -0.292 0.970 25065 65 1 11 "Average Difference" CB 71 0.766 -0.156 0.755 25065 66 1 11 "Average Difference" HN 65 0.468 -0.105 0.459 25065 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25065 68 1 12 "Average Difference" HA 85 0.274 0.054 0.270 25065 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25065 70 1 12 "Average Difference" CA 39 0.908 -0.337 0.854 25065 71 1 12 "Average Difference" CB 71 0.839 -0.023 0.845 25065 72 1 12 "Average Difference" HN 65 0.460 -0.108 0.451 25065 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25065 74 1 13 "Average Difference" HA 85 0.300 0.053 0.297 25065 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25065 76 1 13 "Average Difference" CA 39 0.909 -0.312 0.865 25065 77 1 13 "Average Difference" CB 71 0.727 -0.006 0.732 25065 78 1 13 "Average Difference" HN 65 0.472 -0.068 0.471 25065 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25065 80 1 14 "Average Difference" HA 85 0.274 0.046 0.272 25065 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25065 82 1 14 "Average Difference" CA 39 0.978 -0.280 0.949 25065 83 1 14 "Average Difference" CB 71 0.780 -0.099 0.780 25065 84 1 14 "Average Difference" HN 65 0.487 -0.163 0.463 25065 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25065 86 1 15 "Average Difference" HA 85 0.261 0.037 0.260 25065 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25065 88 1 15 "Average Difference" CA 39 1.028 -0.242 1.012 25065 89 1 15 "Average Difference" CB 71 0.791 -0.002 0.797 25065 90 1 15 "Average Difference" HN 65 0.454 -0.078 0.451 25065 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25065 92 1 16 "Average Difference" HA 85 0.287 0.037 0.287 25065 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25065 94 1 16 "Average Difference" CA 39 1.081 -0.273 1.060 25065 95 1 16 "Average Difference" CB 71 0.732 -0.055 0.736 25065 96 1 16 "Average Difference" HN 65 0.481 -0.106 0.473 25065 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25065 98 1 17 "Average Difference" HA 85 0.285 0.051 0.282 25065 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25065 100 1 17 "Average Difference" CA 39 0.936 -0.285 0.904 25065 101 1 17 "Average Difference" CB 71 0.850 -0.106 0.849 25065 102 1 17 "Average Difference" HN 65 0.510 -0.068 0.509 25065 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25065 104 1 18 "Average Difference" HA 85 0.283 0.041 0.282 25065 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25065 106 1 18 "Average Difference" CA 39 0.994 -0.299 0.960 25065 107 1 18 "Average Difference" CB 71 0.881 -0.086 0.883 25065 108 1 18 "Average Difference" HN 65 0.454 -0.052 0.454 25065 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25065 110 1 19 "Average Difference" HA 85 0.304 0.059 0.300 25065 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25065 112 1 19 "Average Difference" CA 39 0.906 -0.358 0.844 25065 113 1 19 "Average Difference" CB 71 0.712 -0.085 0.712 25065 114 1 19 "Average Difference" HN 65 0.502 -0.132 0.488 25065 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25065 116 1 20 "Average Difference" HA 85 0.262 0.021 0.262 25065 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25065 118 1 20 "Average Difference" CA 39 1.098 -0.353 1.053 25065 119 1 20 "Average Difference" CB 71 0.811 -0.109 0.809 25065 120 1 20 "Average Difference" HN 65 0.493 -0.136 0.477 25065 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 25065 _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 3 3 MET HA H 3 4.414 4.414 4.553 -0.139 25065 2 1 . 1 1 3 3 MET H H 3 8.447 8.447 8.262 0.185 25065 3 1 . 1 1 5 5 LYS HA H 5 4.253 4.253 4.388 -0.135 25065 4 1 . 1 1 5 5 LYS CA C 5 55.810 55.810 56.090 -0.280 25065 5 1 . 1 1 6 6 ALA HA H 6 4.551 4.551 4.570 -0.019 25065 6 1 . 1 1 6 6 ALA CB C 6 17.947 17.947 18.896 -0.949 25065 7 1 . 1 1 6 6 ALA H H 6 8.400 8.400 8.235 0.165 25065 8 1 . 1 1 7 7 PRO HA H 7 4.318 4.318 4.555 -0.237 25065 9 1 . 1 1 7 7 PRO CB C 7 31.974 31.974 32.721 -0.747 25065 10 1 . 1 1 8 8 GLU HA H 8 4.366 4.366 4.317 0.049 25065 11 1 . 1 1 8 8 GLU CB C 8 30.764 30.764 30.140 0.624 25065 12 1 . 1 1 8 8 GLU H H 8 8.738 8.738 8.843 -0.105 25065 13 1 . 1 1 9 9 SER HA H 9 4.521 4.521 4.507 0.014 25065 14 1 . 1 1 9 9 SER CB C 9 65.043 65.043 64.306 0.737 25065 15 1 . 1 1 9 9 SER H H 9 8.724 8.724 8.346 0.378 25065 16 1 . 1 1 10 10 ALA HA H 10 4.082 4.082 4.100 -0.018 25065 17 1 . 1 1 10 10 ALA CB C 10 18.166 18.166 18.376 -0.210 25065 18 1 . 1 1 10 10 ALA H H 10 8.547 8.547 8.813 -0.266 25065 19 1 . 1 1 11 11 THR HA H 11 3.809 3.809 4.013 -0.204 25065 20 1 . 1 1 11 11 THR CA C 11 66.711 66.711 65.850 0.861 25065 21 1 . 1 1 11 11 THR CB C 11 68.400 68.400 68.325 0.075 25065 22 1 . 1 1 11 11 THR H H 11 8.186 8.186 8.024 0.162 25065 23 1 . 1 1 12 12 GLU HA H 12 3.576 3.576 3.938 -0.362 25065 24 1 . 1 1 12 12 GLU CA C 12 60.604 60.604 59.258 1.346 25065 25 1 . 1 1 12 12 GLU CB C 12 29.805 29.805 29.155 0.650 25065 26 1 . 1 1 12 12 GLU H H 12 8.073 8.073 7.910 0.163 25065 27 1 . 1 1 13 13 LYS HA H 13 3.888 3.888 4.038 -0.150 25065 28 1 . 1 1 13 13 LYS CA C 13 60.352 60.352 59.532 0.820 25065 29 1 . 1 1 13 13 LYS CB C 13 32.257 32.257 32.110 0.147 25065 30 1 . 1 1 13 13 LYS H H 13 8.180 8.180 7.734 0.446 25065 31 1 . 1 1 14 14 VAL HA H 14 3.777 3.777 3.870 -0.093 25065 32 1 . 1 1 14 14 VAL CA C 14 66.089 66.089 65.269 0.820 25065 33 1 . 1 1 14 14 VAL CB C 14 31.861 31.861 31.547 0.314 25065 34 1 . 1 1 14 14 VAL H H 14 7.760 7.760 7.464 0.296 25065 35 1 . 1 1 15 15 LEU HA H 15 3.972 3.972 4.075 -0.103 25065 36 1 . 1 1 15 15 LEU CB C 15 42.097 42.097 41.400 0.697 25065 37 1 . 1 1 15 15 LEU H H 15 8.326 8.326 7.674 0.652 25065 38 1 . 1 1 16 16 CYS HA H 16 3.638 3.638 3.822 -0.184 25065 39 1 . 1 1 16 16 CYS CA C 16 65.055 65.055 63.490 1.565 25065 40 1 . 1 1 16 16 CYS CB C 16 26.610 26.610 26.403 0.208 25065 41 1 . 1 1 16 16 CYS H H 16 8.531 8.531 8.441 0.090 25065 42 1 . 1 1 17 17 ALA HA H 17 4.203 4.203 4.079 0.124 25065 43 1 . 1 1 17 17 ALA CA C 17 55.289 55.289 55.246 0.043 25065 44 1 . 1 1 17 17 ALA CB C 17 17.539 17.539 18.262 -0.723 25065 45 1 . 1 1 17 17 ALA H H 17 7.629 7.629 7.589 0.040 25065 46 1 . 1 1 18 18 LEU HA H 18 4.226 4.226 4.149 0.077 25065 47 1 . 1 1 18 18 LEU CA C 18 57.699 57.699 57.545 0.154 25065 48 1 . 1 1 18 18 LEU CB C 18 42.382 42.382 40.712 1.670 25065 49 1 . 1 1 18 18 LEU H H 18 8.673 8.673 8.104 0.569 25065 50 1 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.284 -0.308 25065 51 1 . 1 1 19 19 TYR CB C 19 39.575 39.575 37.361 2.214 25065 52 1 . 1 1 19 19 TYR H H 19 9.180 9.180 8.606 0.574 25065 53 1 . 1 1 20 20 ALA HA H 20 3.885 3.885 3.968 -0.083 25065 54 1 . 1 1 20 20 ALA CA C 20 55.942 55.942 55.228 0.714 25065 55 1 . 1 1 20 20 ALA CB C 20 17.847 17.847 18.095 -0.248 25065 56 1 . 1 1 20 20 ALA H H 20 7.772 7.772 8.130 -0.358 25065 57 1 . 1 1 21 21 GLU HA H 21 3.995 3.995 4.056 -0.061 25065 58 1 . 1 1 21 21 GLU CA C 21 58.905 58.905 59.163 -0.258 25065 59 1 . 1 1 21 21 GLU CB C 21 30.342 30.342 29.718 0.624 25065 60 1 . 1 1 22 22 ILE HA H 22 3.917 3.917 3.926 -0.009 25065 61 1 . 1 1 22 22 ILE CA C 22 61.642 61.642 63.866 -2.223 25065 62 1 . 1 1 22 22 ILE CB C 22 37.107 37.107 38.520 -1.413 25065 63 1 . 1 1 22 22 ILE H H 22 8.299 8.299 7.484 0.815 25065 64 1 . 1 1 23 23 LEU HA H 23 4.134 4.134 4.252 -0.118 25065 65 1 . 1 1 23 23 LEU CA C 23 55.302 55.302 55.245 0.057 25065 66 1 . 1 1 23 23 LEU CB C 23 42.218 42.218 42.044 0.174 25065 67 1 . 1 1 23 23 LEU H H 23 8.477 8.477 8.047 0.430 25065 68 1 . 1 1 24 24 GLY CA C 24 46.801 46.801 45.590 1.211 25065 69 1 . 1 1 24 24 GLY H H 24 7.853 7.853 8.093 -0.240 25065 70 1 . 1 1 25 25 VAL HA H 25 4.590 4.590 4.501 0.089 25065 71 1 . 1 1 25 25 VAL CB C 25 34.203 34.203 33.372 0.831 25065 72 1 . 1 1 25 25 VAL H H 25 7.349 7.349 7.392 -0.043 25065 73 1 . 1 1 26 26 GLU HA H 26 4.029 4.029 4.212 -0.183 25065 74 1 . 1 1 26 26 GLU CA C 26 58.870 58.870 57.826 1.044 25065 75 1 . 1 1 26 26 GLU CB C 26 30.613 30.613 30.118 0.495 25065 76 1 . 1 1 26 26 GLU H H 26 8.416 8.416 8.594 -0.178 25065 77 1 . 1 1 27 27 ARG HA H 27 4.464 4.464 4.494 -0.030 25065 78 1 . 1 1 27 27 ARG CB C 27 32.007 32.007 32.425 -0.418 25065 79 1 . 1 1 27 27 ARG H H 27 7.729 7.729 7.640 0.089 25065 80 1 . 1 1 28 28 VAL HA H 28 4.077 4.077 4.476 -0.399 25065 81 1 . 1 1 28 28 VAL CA C 28 61.719 61.719 60.938 0.781 25065 82 1 . 1 1 28 28 VAL CB C 28 34.774 34.774 35.066 -0.292 25065 83 1 . 1 1 28 28 VAL H H 28 8.344 8.344 8.453 -0.109 25065 84 1 . 1 1 29 29 GLY H H 29 9.223 9.223 8.975 0.248 25065 85 1 . 1 1 30 30 VAL HA H 30 3.581 3.581 3.894 -0.313 25065 86 1 . 1 1 30 30 VAL CA C 30 64.307 64.307 63.880 0.427 25065 87 1 . 1 1 30 30 VAL CB C 30 31.617 31.617 31.926 -0.309 25065 88 1 . 1 1 30 30 VAL H H 30 8.155 8.155 8.508 -0.353 25065 89 1 . 1 1 31 31 ASP HA H 31 5.041 5.041 4.716 0.325 25065 90 1 . 1 1 31 31 ASP CB C 31 41.177 41.177 40.838 0.339 25065 91 1 . 1 1 31 31 ASP H H 31 8.149 8.149 8.240 -0.091 25065 92 1 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.654 -0.032 25065 93 1 . 1 1 32 32 ASP CB C 32 41.799 41.799 41.260 0.539 25065 94 1 . 1 1 32 32 ASP H H 32 7.289 7.289 7.573 -0.284 25065 95 1 . 1 1 33 33 ALA HA H 33 4.093 4.093 4.579 -0.486 25065 96 1 . 1 1 33 33 ALA CA C 33 51.549 51.549 51.527 0.022 25065 97 1 . 1 1 33 33 ALA CB C 33 19.554 19.554 20.122 -0.568 25065 98 1 . 1 1 33 33 ALA H H 33 8.885 8.885 8.607 0.278 25065 99 1 . 1 1 34 34 PHE HA H 34 3.956 3.956 4.032 -0.076 25065 100 1 . 1 1 34 34 PHE CA C 34 62.655 62.655 62.332 0.323 25065 101 1 . 1 1 34 34 PHE CB C 34 40.196 40.196 39.369 0.827 25065 102 1 . 1 1 34 34 PHE H H 34 8.409 8.409 8.623 -0.214 25065 103 1 . 1 1 36 36 ASP HA H 36 4.494 4.494 4.456 0.038 25065 104 1 . 1 1 36 36 ASP CB C 36 40.185 40.185 40.698 -0.513 25065 105 1 . 1 1 37 37 LEU HA H 37 4.347 4.347 4.244 0.103 25065 106 1 . 1 1 37 37 LEU CB C 37 43.535 43.535 42.052 1.483 25065 107 1 . 1 1 37 37 LEU H H 37 7.059 7.059 7.634 -0.575 25065 108 1 . 1 1 38 38 GLY CA C 38 44.575 44.575 44.812 -0.237 25065 109 1 . 1 1 38 38 GLY H H 38 7.451 7.451 7.546 -0.095 25065 110 1 . 1 1 39 39 GLY CA C 39 46.469 46.469 44.370 2.099 25065 111 1 . 1 1 39 39 GLY H H 39 7.624 7.624 7.736 -0.112 25065 112 1 . 1 1 40 40 SER HA H 40 4.936 4.936 4.893 0.043 25065 113 1 . 1 1 40 40 SER CB C 40 66.690 66.690 65.768 0.922 25065 114 1 . 1 1 40 40 SER H H 40 6.796 6.796 8.251 -1.455 25065 115 1 . 1 1 42 42 ALA HA H 42 4.194 4.194 4.193 0.001 25065 116 1 . 1 1 42 42 ALA CB C 42 18.306 18.306 18.241 0.065 25065 117 1 . 1 1 43 43 LEU HA H 43 4.163 4.163 4.141 0.022 25065 118 1 . 1 1 43 43 LEU CB C 43 41.833 41.833 41.633 0.200 25065 119 1 . 1 1 44 44 ALA HA H 44 3.612 3.612 3.372 0.240 25065 120 1 . 1 1 44 44 ALA CA C 44 54.838 54.838 54.886 -0.048 25065 121 1 . 1 1 44 44 ALA CB C 44 18.153 18.153 17.961 0.192 25065 122 1 . 1 1 44 44 ALA H H 44 8.864 8.864 8.338 0.526 25065 123 1 . 1 1 45 45 MET HA H 45 4.200 4.200 4.000 0.200 25065 124 1 . 1 1 45 45 MET CA C 45 58.019 58.019 58.695 -0.675 25065 125 1 . 1 1 45 45 MET CB C 45 31.141 31.141 32.186 -1.045 25065 126 1 . 1 1 45 45 MET H H 45 7.669 7.669 7.878 -0.209 25065 127 1 . 1 1 46 46 ARG HA H 46 4.187 4.187 4.097 0.090 25065 128 1 . 1 1 46 46 ARG CB C 46 29.748 29.748 29.685 0.063 25065 129 1 . 1 1 46 46 ARG H H 46 7.239 7.239 7.572 -0.333 25065 130 1 . 1 1 47 47 LEU HA H 47 3.914 3.914 4.058 -0.144 25065 131 1 . 1 1 47 47 LEU CB C 47 41.255 41.255 41.454 -0.199 25065 132 1 . 1 1 47 47 LEU H H 47 8.227 8.227 8.036 0.191 25065 133 1 . 1 1 48 48 ILE HA H 48 3.552 3.552 3.505 0.047 25065 134 1 . 1 1 48 48 ILE CA C 48 65.226 65.226 65.299 -0.073 25065 135 1 . 1 1 48 48 ILE CB C 48 37.672 37.672 37.163 0.509 25065 136 1 . 1 1 48 48 ILE H H 48 8.534 8.534 7.516 1.018 25065 137 1 . 1 1 49 49 ALA HA H 49 4.199 4.199 3.956 0.243 25065 138 1 . 1 1 49 49 ALA CB C 49 17.884 17.884 18.257 -0.373 25065 139 1 . 1 1 49 49 ALA H H 49 7.620 7.620 7.652 -0.032 25065 140 1 . 1 1 50 50 ARG HA H 50 4.240 4.240 4.192 0.048 25065 141 1 . 1 1 50 50 ARG H H 50 7.973 7.973 8.032 -0.059 25065 142 1 . 1 1 51 51 ILE HA H 51 3.368 3.368 3.702 -0.334 25065 143 1 . 1 1 51 51 ILE CA C 51 66.422 66.422 65.480 0.942 25065 144 1 . 1 1 51 51 ILE CB C 51 37.825 37.825 37.554 0.271 25065 145 1 . 1 1 51 51 ILE H H 51 8.862 8.862 8.501 0.361 25065 146 1 . 1 1 52 52 ARG HA H 52 4.061 4.061 4.222 -0.161 25065 147 1 . 1 1 52 52 ARG CA C 52 59.614 59.614 58.897 0.717 25065 148 1 . 1 1 52 52 ARG CB C 52 29.519 29.519 29.691 -0.172 25065 149 1 . 1 1 52 52 ARG H H 52 7.861 7.861 8.030 -0.169 25065 150 1 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.134 -0.165 25065 151 1 . 1 1 53 53 GLU CA C 53 59.311 59.311 58.917 0.394 25065 152 1 . 1 1 53 53 GLU CB C 53 30.277 30.277 29.482 0.795 25065 153 1 . 1 1 53 53 GLU H H 53 7.847 7.847 7.847 -0.000 25065 154 1 . 1 1 54 54 GLU HA H 54 4.338 4.338 4.253 0.085 25065 155 1 . 1 1 54 54 GLU CB C 54 30.642 30.642 30.437 0.205 25065 156 1 . 1 1 54 54 GLU H H 54 8.514 8.514 8.052 0.462 25065 157 1 . 1 1 55 55 LEU HA H 55 4.680 4.680 4.539 0.141 25065 158 1 . 1 1 55 55 LEU CB C 55 43.328 43.328 42.995 0.333 25065 159 1 . 1 1 55 55 LEU H H 55 8.658 8.658 8.310 0.348 25065 160 1 . 1 1 56 56 GLY CA C 56 46.596 46.596 45.761 0.835 25065 161 1 . 1 1 56 56 GLY H H 56 7.693 7.693 7.928 -0.235 25065 162 1 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.471 -0.054 25065 163 1 . 1 1 57 57 VAL CB C 57 35.473 35.473 34.198 1.275 25065 164 1 . 1 1 57 57 VAL H H 57 6.534 6.534 7.232 -0.698 25065 165 1 . 1 1 58 58 ASP HA H 58 4.675 4.675 4.722 -0.047 25065 166 1 . 1 1 58 58 ASP CB C 58 41.821 41.821 42.106 -0.285 25065 167 1 . 1 1 58 58 ASP H H 58 8.555 8.555 8.477 0.078 25065 168 1 . 1 1 59 59 LEU HA H 59 4.537 4.537 4.708 -0.171 25065 169 1 . 1 1 59 59 LEU CB C 59 44.310 44.310 44.505 -0.195 25065 170 1 . 1 1 59 59 LEU H H 59 8.395 8.395 8.116 0.279 25065 171 1 . 1 1 60 60 PRO HA H 60 4.418 4.418 4.598 -0.180 25065 172 1 . 1 1 60 60 PRO CB C 60 32.391 32.391 32.935 -0.544 25065 173 1 . 1 1 61 61 ILE HA H 61 3.635 3.635 3.598 0.036 25065 174 1 . 1 1 61 61 ILE CB C 61 37.572 37.572 38.012 -0.441 25065 175 1 . 1 1 61 61 ILE H H 61 8.748 8.748 8.612 0.136 25065 176 1 . 1 1 62 62 ARG HA H 62 3.995 3.995 4.058 -0.063 25065 177 1 . 1 1 62 62 ARG CB C 62 29.519 29.519 29.579 -0.060 25065 178 1 . 1 1 62 62 ARG H H 62 8.419 8.419 8.362 0.057 25065 179 1 . 1 1 63 63 GLN HA H 63 4.027 4.027 4.178 -0.151 25065 180 1 . 1 1 63 63 GLN CB C 63 28.519 28.519 28.456 0.063 25065 181 1 . 1 1 63 63 GLN H H 63 7.443 7.443 7.725 -0.282 25065 182 1 . 1 1 64 64 LEU HA H 64 3.834 3.834 4.014 -0.180 25065 183 1 . 1 1 64 64 LEU CB C 64 40.786 40.786 41.853 -1.067 25065 184 1 . 1 1 64 64 LEU H H 64 7.261 7.261 7.469 -0.208 25065 185 1 . 1 1 65 65 PHE CB C 65 38.158 38.158 38.696 -0.538 25065 186 1 . 1 1 65 65 PHE H H 65 7.405 7.405 8.021 -0.616 25065 187 1 . 1 1 66 66 SER HA H 66 4.368 4.368 4.552 -0.184 25065 188 1 . 1 1 66 66 SER CB C 66 63.456 63.456 64.010 -0.554 25065 189 1 . 1 1 67 67 SER HA H 67 4.801 4.801 4.921 -0.120 25065 190 1 . 1 1 67 67 SER CB C 67 64.236 64.236 63.834 0.402 25065 191 1 . 1 1 67 67 SER H H 67 7.679 7.679 7.569 0.110 25065 192 1 . 1 1 68 68 PRO HA H 68 4.982 4.982 4.715 0.267 25065 193 1 . 1 1 68 68 PRO CB C 68 32.626 32.626 32.282 0.344 25065 194 1 . 1 1 69 69 THR HA H 69 5.519 5.519 5.297 0.222 25065 195 1 . 1 1 69 69 THR CA C 69 58.316 58.316 58.870 -0.554 25065 196 1 . 1 1 69 69 THR H H 69 8.253 8.253 7.589 0.664 25065 197 1 . 1 1 70 70 PRO HA H 70 3.787 3.787 3.917 -0.130 25065 198 1 . 1 1 70 70 PRO CA C 70 65.995 65.995 65.616 0.379 25065 199 1 . 1 1 70 70 PRO CB C 70 32.865 32.865 31.275 1.590 25065 200 1 . 1 1 71 71 ALA HA H 71 4.122 4.122 4.156 -0.034 25065 201 1 . 1 1 71 71 ALA CA C 71 55.368 55.368 54.864 0.504 25065 202 1 . 1 1 71 71 ALA CB C 71 18.613 18.613 18.245 0.368 25065 203 1 . 1 1 71 71 ALA H H 71 8.775 8.775 7.999 0.776 25065 204 1 . 1 1 72 72 GLY H H 72 8.186 8.186 7.614 0.572 25065 205 1 . 1 1 73 73 VAL HA H 73 3.565 3.565 3.685 -0.120 25065 206 1 . 1 1 73 73 VAL CA C 73 66.671 66.671 65.745 0.926 25065 207 1 . 1 1 73 73 VAL CB C 73 31.440 31.440 31.227 0.213 25065 208 1 . 1 1 73 73 VAL H H 73 9.142 9.142 7.889 1.253 25065 209 1 . 1 1 74 74 ALA HA H 74 3.772 3.772 3.993 -0.221 25065 210 1 . 1 1 74 74 ALA CA C 74 55.788 55.788 55.490 0.298 25065 211 1 . 1 1 74 74 ALA CB C 74 18.080 18.080 18.366 -0.286 25065 212 1 . 1 1 74 74 ALA H H 74 8.659 8.659 8.292 0.367 25065 213 1 . 1 1 75 75 ARG HA H 75 4.043 4.043 4.059 -0.016 25065 214 1 . 1 1 75 75 ARG CA C 75 59.563 59.563 58.805 0.758 25065 215 1 . 1 1 75 75 ARG CB C 75 30.311 30.311 29.942 0.369 25065 216 1 . 1 1 75 75 ARG H H 75 7.694 7.694 7.783 -0.089 25065 217 1 . 1 1 76 76 ALA HA H 76 4.153 4.153 4.132 0.021 25065 218 1 . 1 1 76 76 ALA CA C 76 54.796 54.796 54.666 0.130 25065 219 1 . 1 1 76 76 ALA CB C 76 17.493 17.493 18.468 -0.975 25065 220 1 . 1 1 76 76 ALA H H 76 7.877 7.877 7.717 0.160 25065 221 1 . 1 1 77 77 LEU HA H 77 3.974 3.974 3.985 -0.011 25065 222 1 . 1 1 77 77 LEU H H 77 8.484 8.484 8.148 0.336 25065 223 1 . 1 1 78 78 ALA HA H 78 4.192 4.192 3.974 0.218 25065 224 1 . 1 1 78 78 ALA CB C 78 18.191 18.191 18.057 0.134 25065 225 1 . 1 1 79 79 ALA HA H 79 4.193 4.193 4.061 0.132 25065 226 1 . 1 1 79 79 ALA CA C 79 53.313 53.313 54.756 -1.443 25065 227 1 . 1 1 79 79 ALA CB C 79 18.379 18.379 18.328 0.051 25065 228 1 . 1 1 79 79 ALA H H 79 7.624 7.624 7.715 -0.091 25065 229 1 . 1 1 80 80 LYS HA H 80 4.241 4.241 4.114 0.127 25065 230 1 . 1 1 80 80 LYS CA C 80 56.363 56.363 58.374 -2.011 25065 231 1 . 1 1 80 80 LYS CB C 80 32.340 32.340 32.287 0.053 25065 232 1 . 1 1 80 80 LYS H H 80 7.759 7.759 7.828 -0.069 25065 233 1 . 1 1 81 81 SER H H 81 7.888 7.888 7.833 0.055 25065 234 1 . 1 1 83 83 SER HA H 83 4.323 4.323 4.488 -0.165 25065 235 1 . 1 1 83 83 SER CA C 83 58.644 58.644 57.846 0.798 25065 236 1 . 1 1 83 83 SER CB C 83 63.434 63.434 63.919 -0.485 25065 237 1 . 1 1 84 84 TRP HA H 84 4.645 4.645 4.600 0.045 25065 238 1 . 1 1 84 84 TRP CB C 84 29.473 29.473 29.699 -0.226 25065 239 1 . 1 1 85 85 SER HA H 85 4.314 4.314 4.218 0.096 25065 240 1 . 1 1 85 85 SER CB C 85 63.726 63.726 63.674 0.052 25065 241 1 . 1 1 87 87 PRO HA H 87 4.323 4.323 4.408 -0.085 25065 242 1 . 1 1 87 87 PRO CB C 87 31.915 31.915 32.289 -0.374 25065 243 1 . 1 1 88 88 GLN HA H 88 4.242 4.242 4.347 -0.105 25065 244 1 . 1 1 88 88 GLN CA C 88 55.771 55.771 55.199 0.572 25065 245 1 . 1 1 88 88 GLN CB C 88 29.293 29.293 30.295 -1.002 25065 246 1 . 1 1 89 89 PHE HA H 89 4.650 4.650 4.686 -0.036 25065 247 1 . 1 1 89 89 PHE CB C 89 39.577 39.577 39.893 -0.316 25065 248 1 . 1 1 90 90 GLU HA H 90 4.241 4.241 4.456 -0.215 25065 249 1 . 1 1 90 90 GLU CA C 90 56.363 56.363 56.134 0.229 25065 250 1 . 1 1 90 90 GLU CB C 90 30.354 30.354 30.838 -0.484 25065 stop_ save_