NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
627177 | 6cgw | 30411 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 TYR 1 1H TYR 1 -0.268 4.260 -2.730 2 H2 TYR 1 2H TYR 1 -0.372 5.816 -3.092 3 H3 TYR 1 3H TYR 1 0.991 4.953 -3.435 4 HA TYR 1 HA TYR 1 0.857 6.666 -1.573 5 HB2 TYR 1 1HB TYR 1 -0.147 4.067 -0.428 6 HB3 TYR 1 2HB TYR 1 0.694 5.251 0.567 7 HD1 TYR 1 HD1 TYR 1 -2.144 5.079 -1.861 8 HD2 TYR 1 HD2 TYR 1 -0.577 6.814 1.694 9 HE1 TYR 1 HE1 TYR 1 -4.260 6.289 -1.526 10 HE2 TYR 1 HE2 TYR 1 -2.688 8.028 2.039 11 HH TYR 1 HH TYR 1 -5.315 7.450 1.123 12 H CYS 2 H CYS 2 1.742 3.209 -1.564 13 HA CYS 2 HA CYS 2 4.338 3.640 -0.520 14 HB2 CYS 2 1HB CYS 2 3.452 1.275 -2.176 15 HB3 CYS 2 2HB CYS 2 4.738 1.322 -0.974 16 H GLN 3 H GLN 3 6.202 2.470 -1.956 17 HA GLN 3 HA GLN 3 6.192 3.722 -4.613 18 HB2 GLN 3 1HB GLN 3 8.264 4.761 -4.312 19 HB3 GLN 3 2HB GLN 3 7.427 5.068 -2.797 20 HG2 GLN 3 1HG GLN 3 9.710 3.234 -3.359 21 HG3 GLN 3 2HG GLN 3 9.531 4.450 -2.096 22 HE21 GLN 3 1HE2 GLN 3 7.275 3.864 -0.854 23 HE22 GLN 3 2HE2 GLN 3 7.309 2.273 -0.182 24 H LYS 4 H LYS 4 5.622 1.192 -4.600 25 HA LYS 4 HA LYS 4 6.239 -0.763 -5.607 26 HB2 LYS 4 1HB LYS 4 8.041 0.945 -6.642 27 HB3 LYS 4 2HB LYS 4 9.126 -0.095 -5.730 28 HG2 LYS 4 1HG LYS 4 7.645 -1.959 -6.974 29 HG3 LYS 4 2HG LYS 4 7.560 -0.654 -8.159 30 HD2 LYS 4 1HD LYS 4 9.478 -1.683 -8.857 31 HD3 LYS 4 2HD LYS 4 10.162 -0.546 -7.694 32 HE2 LYS 4 1HE LYS 4 9.808 -2.479 -5.994 33 HE3 LYS 4 2HE LYS 4 9.724 -3.495 -7.433 34 HZ1 LYS 4 1HZ LYS 4 11.988 -1.752 -6.630 35 HZ2 LYS 4 2HZ LYS 4 11.907 -2.605 -8.088 36 HZ3 LYS 4 3HZ LYS 4 11.963 -3.444 -6.620 37 H TRP 5 H TRP 5 7.632 0.494 -2.799 38 HA TRP 5 HA TRP 5 8.314 -0.476 -0.857 39 HB2 TRP 5 1HB TRP 5 6.427 -2.080 -1.405 40 HB3 TRP 5 2HB TRP 5 7.645 -3.147 -2.100 41 HD1 TRP 5 HD1 TRP 5 7.786 -1.193 1.252 42 HE1 TRP 5 HE1 TRP 5 8.228 -2.890 3.136 43 HE3 TRP 5 HE3 TRP 5 7.704 -5.502 -1.499 44 HZ2 TRP 5 HZ2 TRP 5 8.507 -5.685 3.418 45 HZ3 TRP 5 HZ3 TRP 5 8.067 -7.644 -0.346 46 HH2 TRP 5 HH2 TRP 5 8.461 -7.732 2.062 47 H NLE 6 H NLE 6 10.264 -0.684 -0.217 48 HA NLE 6 HA NLE 6 12.643 -1.214 -0.159 49 HB2 NLE 6 1HB NLE 6 11.628 -3.539 -0.792 50 HB3 NLE 6 2HB NLE 6 12.173 -3.202 -2.432 51 HG2 NLE 6 1HG NLE 6 14.406 -3.585 -1.895 52 HG3 NLE 6 2HG NLE 6 14.320 -2.705 -0.373 53 HD2 NLE 6 1HD NLE 6 12.841 -4.874 0.400 54 HD3 NLE 6 2HD NLE 6 13.741 -5.650 -0.910 55 HE1 NLE 6 1HE NLE 6 14.937 -4.136 1.358 56 HE2 NLE 6 2HE NLE 6 14.913 -5.794 1.161 57 HE3 NLE 6 3HE NLE 6 15.803 -4.851 0.113 58 H TRP 7 H TRP 7 10.989 0.388 -2.538 59 HA TRP 7 HA TRP 7 13.405 1.005 -4.102 60 HB2 TRP 7 1HB TRP 7 11.800 0.361 -5.660 61 HB3 TRP 7 2HB TRP 7 10.480 1.096 -4.754 62 HD1 TRP 7 HD1 TRP 7 9.754 3.477 -5.455 63 HE1 TRP 7 HE1 TRP 7 10.605 5.202 -7.166 64 HE3 TRP 7 HE3 TRP 7 14.143 1.213 -6.774 65 HZ2 TRP 7 HZ2 TRP 7 12.841 5.555 -8.852 66 HZ3 TRP 7 HZ3 TRP 7 15.580 2.308 -8.443 67 HH2 TRP 7 HH2 TRP 7 14.941 4.435 -9.460 68 H THR 8 H THR 8 13.801 3.236 -4.659 69 HA THR 8 HA THR 8 13.374 4.987 -2.422 70 HB THR 8 HB THR 8 14.764 6.590 -3.629 71 HG1 THR 8 HG1 THR 8 14.258 6.374 -5.746 72 HG21 THR 8 1HG2 THR 8 15.622 4.286 -2.561 73 HG22 THR 8 2HG2 THR 8 16.713 5.470 -3.284 74 HG23 THR 8 3HG2 THR 8 16.195 4.063 -4.214 75 H CYS 9 H CYS 9 11.303 5.629 -2.245 76 HA CYS 9 HA CYS 9 9.374 6.299 -4.027 77 HB2 CYS 9 1HB CYS 9 8.877 8.241 -2.266 78 HB3 CYS 9 2HB CYS 9 8.755 6.573 -1.802 79 H ASP 10 H ASP 10 9.646 7.413 -5.969 80 HA ASP 10 HA ASP 10 9.817 10.149 -5.983 81 HB2 ASP 10 1HB ASP 10 12.409 8.944 -5.559 82 HB3 ASP 10 2HB ASP 10 12.389 9.850 -7.069 83 H SER 11 H SER 11 11.852 8.013 -7.958 84 HA SER 11 HA SER 11 10.753 8.993 -10.387 85 HB2 SER 11 1HB SER 11 13.030 7.591 -9.684 86 HB3 SER 11 2HB SER 11 12.094 6.400 -10.589 87 HG SER 11 HG SER 11 12.266 7.585 -12.364 88 H LYS 12 H LYS 12 9.543 6.848 -8.151 89 HA LYS 12 HA LYS 12 7.873 5.514 -10.181 90 HB2 LYS 12 1HB LYS 12 8.831 4.521 -7.497 91 HB3 LYS 12 2HB LYS 12 7.538 3.740 -8.399 92 HG2 LYS 12 1HG LYS 12 10.132 4.219 -9.771 93 HG3 LYS 12 2HG LYS 12 10.029 2.921 -8.579 94 HD2 LYS 12 1HD LYS 12 8.029 3.195 -10.804 95 HD3 LYS 12 2HD LYS 12 9.551 2.326 -11.019 96 HE2 LYS 12 1HE LYS 12 8.935 0.921 -9.049 97 HE3 LYS 12 2HE LYS 12 7.364 1.719 -9.034 98 HZ1 LYS 12 1HZ LYS 12 8.489 0.008 -11.180 99 HZ2 LYS 12 2HZ LYS 12 7.084 0.930 -11.366 100 HZ3 LYS 12 3HZ LYS 12 7.136 -0.310 -10.215 101 H ARG 13 H ARG 13 7.839 6.523 -6.759 102 HA ARG 13 HA ARG 13 5.576 8.131 -6.935 103 HB2 ARG 13 1HB ARG 13 4.064 6.435 -5.585 104 HB3 ARG 13 2HB ARG 13 4.069 6.450 -7.343 105 HG2 ARG 13 1HG ARG 13 6.127 4.706 -6.351 106 HG3 ARG 13 2HG ARG 13 4.560 4.283 -5.659 107 HD2 ARG 13 1HD ARG 13 4.241 4.855 -8.442 108 HD3 ARG 13 2HD ARG 13 5.550 3.694 -8.237 109 HE ARG 13 HE ARG 13 2.739 3.286 -7.634 110 HH11 ARG 13 1HH1 ARG 13 6.009 2.120 -7.375 111 HH12 ARG 13 2HH1 ARG 13 5.538 0.483 -7.054 112 HH21 ARG 13 1HH2 ARG 13 2.106 1.135 -7.211 113 HH22 ARG 13 2HH2 ARG 13 3.318 -0.075 -6.963 114 H ALA 14 H ALA 14 4.576 8.528 -4.714 115 HA ALA 14 HA ALA 14 6.627 9.114 -2.883 116 HB1 ALA 14 1HB ALA 14 5.040 10.478 -2.151 117 HB2 ALA 14 2HB ALA 14 3.838 9.641 -3.136 118 HB3 ALA 14 3HB ALA 14 4.168 9.093 -1.492 119 H CYS 15 H CYS 15 6.249 8.522 -0.457 120 HA CYS 15 HA CYS 15 6.256 5.591 -0.335 121 HB2 CYS 15 1HB CYS 15 7.630 7.731 1.239 122 HB3 CYS 15 2HB CYS 15 7.042 6.328 2.194 123 H CYS 16 H CYS 16 5.605 4.333 1.402 124 HA CYS 16 HA CYS 16 2.798 4.995 1.633 125 HB2 CYS 16 1HB CYS 16 4.348 2.612 1.649 126 HB3 CYS 16 2HB CYS 16 3.494 2.697 3.185 127 H GLU 17 H GLU 17 1.902 4.166 4.004 128 HA GLU 17 HA GLU 17 2.753 6.218 5.887 129 HB2 GLU 17 1HB GLU 17 0.421 5.459 5.597 130 HB3 GLU 17 2HB GLU 17 0.838 3.871 6.226 131 HG2 GLU 17 1HG GLU 17 1.190 6.476 7.781 132 HG3 GLU 17 2HG GLU 17 -0.286 5.519 7.821 133 H GLY 18 H GLY 18 4.366 6.036 7.302 134 HA2 GLY 18 1HA GLY 18 5.522 5.053 9.118 135 HA3 GLY 18 2HA GLY 18 5.061 3.466 8.520 136 H LEU 19 H LEU 19 5.890 3.822 5.826 137 HA LEU 19 HA LEU 19 8.485 2.914 5.893 138 HB2 LEU 19 1HB LEU 19 6.674 3.967 3.853 139 HB3 LEU 19 2HB LEU 19 8.378 4.180 3.465 140 HG LEU 19 HG LEU 19 8.763 1.894 3.325 141 HD11 LEU 19 1HD1 LEU 19 7.013 0.231 4.115 142 HD12 LEU 19 2HD1 LEU 19 6.275 1.581 4.977 143 HD13 LEU 19 3HD1 LEU 19 7.924 1.083 5.363 144 HD21 LEU 19 1HD2 LEU 19 6.945 2.967 1.705 145 HD22 LEU 19 2HD2 LEU 19 5.938 1.719 2.439 146 HD23 LEU 19 3HD2 LEU 19 7.423 1.272 1.597 147 H ARG 20 H ARG 20 10.426 3.994 4.878 148 HA ARG 20 HA ARG 20 10.641 6.774 5.832 149 HB2 ARG 20 1HB ARG 20 13.095 6.207 6.192 150 HB3 ARG 20 2HB ARG 20 11.949 5.490 7.317 151 HG2 ARG 20 1HG ARG 20 12.018 3.408 5.939 152 HG3 ARG 20 2HG ARG 20 13.321 4.145 5.003 153 HD2 ARG 20 1HD ARG 20 14.749 4.228 6.897 154 HD3 ARG 20 2HD ARG 20 13.429 3.824 7.993 155 HE ARG 20 HE ARG 20 13.857 1.775 6.066 156 HH11 ARG 20 1HH1 ARG 20 15.089 3.109 9.036 157 HH12 ARG 20 2HH1 ARG 20 15.791 1.615 9.567 158 HH21 ARG 20 1HH2 ARG 20 14.777 -0.195 6.753 159 HH22 ARG 20 2HH2 ARG 20 15.614 -0.263 8.267 160 H CYS 21 H CYS 21 10.402 7.890 4.054 161 HA CYS 21 HA CYS 21 11.481 7.153 1.522 162 HB2 CYS 21 1HB CYS 21 9.446 8.589 2.028 163 HB3 CYS 21 2HB CYS 21 10.545 9.918 2.374 164 H LYS 22 H LYS 22 13.034 8.451 4.147 165 HA LYS 22 HA LYS 22 15.177 9.765 3.017 166 HB2 LYS 22 1HB LYS 22 14.510 9.063 5.540 167 HB3 LYS 22 2HB LYS 22 15.831 7.937 5.252 168 HG2 LYS 22 1HG LYS 22 17.345 9.738 4.791 169 HG3 LYS 22 2HG LYS 22 16.032 10.916 4.868 170 HD2 LYS 22 1HD LYS 22 15.699 9.930 7.274 171 HD3 LYS 22 2HD LYS 22 17.378 9.421 7.075 172 HE2 LYS 22 1HE LYS 22 18.015 11.735 6.593 173 HE3 LYS 22 2HE LYS 22 16.339 12.240 6.798 174 HZ1 LYS 22 1HZ LYS 22 16.893 10.889 9.092 175 HZ2 LYS 22 2HZ LYS 22 16.885 12.571 8.915 176 HZ3 LYS 22 3HZ LYS 22 18.336 11.715 8.781 177 H LEU 23 H LEU 23 16.346 9.084 1.342 178 HA LEU 23 HA LEU 23 17.881 7.867 0.171 179 HB2 LEU 23 1HB LEU 23 18.477 7.185 2.672 180 HB3 LEU 23 2HB LEU 23 17.880 5.624 2.113 181 HG LEU 23 HG LEU 23 20.220 7.180 1.021 182 HD11 LEU 23 1HD1 LEU 23 20.093 5.480 3.161 183 HD12 LEU 23 2HD1 LEU 23 21.537 5.827 2.211 184 HD13 LEU 23 3HD1 LEU 23 20.563 4.403 1.846 185 HD21 LEU 23 1HD2 LEU 23 18.649 4.924 -0.103 186 HD22 LEU 23 2HD2 LEU 23 20.403 4.879 -0.276 187 HD23 LEU 23 3HD2 LEU 23 19.488 6.242 -0.923 188 H TRP 24 H TRP 24 15.776 5.517 1.842 189 HA TRP 24 HA TRP 24 14.492 4.810 -0.642 190 HB2 TRP 24 1HB TRP 24 15.275 2.641 -0.904 191 HB3 TRP 24 2HB TRP 24 16.734 3.487 -0.399 192 HD1 TRP 24 HD1 TRP 24 14.157 0.954 0.862 193 HE1 TRP 24 HE1 TRP 24 15.116 -0.233 2.934 194 HE3 TRP 24 HE3 TRP 24 18.368 3.774 1.533 195 HZ2 TRP 24 HZ2 TRP 24 17.362 -0.003 4.630 196 HZ3 TRP 24 HZ3 TRP 24 19.868 3.226 3.403 197 HH2 TRP 24 HH2 TRP 24 19.375 1.377 4.919 198 H CYS 25 H CYS 25 12.510 3.752 -0.372 199 HA CYS 25 HA CYS 25 11.601 3.852 2.419 200 HB2 CYS 25 1HB CYS 25 10.339 3.932 -0.186 201 HB3 CYS 25 2HB CYS 25 9.446 3.013 1.058 202 H ARG 26 H ARG 26 10.889 2.423 3.682 203 HA ARG 26 HA ARG 26 10.641 -0.293 2.882 204 HB2 ARG 26 1HB ARG 26 13.283 0.605 3.367 205 HB3 ARG 26 2HB ARG 26 12.821 -0.395 4.739 206 HG2 ARG 26 1HG ARG 26 12.768 -1.191 1.837 207 HG3 ARG 26 2HG ARG 26 13.903 -1.745 3.068 208 HD2 ARG 26 1HD ARG 26 10.932 -2.251 3.007 209 HD3 ARG 26 2HD ARG 26 12.201 -3.429 2.676 210 HE ARG 26 HE ARG 26 12.445 -2.241 5.267 211 HH11 ARG 26 1HH1 ARG 26 10.827 -4.715 3.428 212 HH12 ARG 26 2HH1 ARG 26 10.526 -5.724 4.805 213 HH21 ARG 26 1HH2 ARG 26 12.053 -3.560 7.088 214 HH22 ARG 26 2HH2 ARG 26 11.222 -5.066 6.885 215 H LYS 27 H LYS 27 9.959 -1.657 4.584 216 HA LYS 27 HA LYS 27 8.400 -0.437 6.555 217 HB2 LYS 27 1HB LYS 27 8.974 -3.102 5.679 218 HB3 LYS 27 2HB LYS 27 9.046 -3.057 7.435 219 HG2 LYS 27 1HG LYS 27 6.731 -2.008 5.825 220 HG3 LYS 27 2HG LYS 27 6.814 -3.638 6.498 221 HD2 LYS 27 1HD LYS 27 7.418 -2.107 8.673 222 HD3 LYS 27 2HD LYS 27 6.273 -1.074 7.817 223 HE2 LYS 27 1HE LYS 27 4.620 -2.812 7.816 224 HE3 LYS 27 2HE LYS 27 5.772 -3.973 8.474 225 HZ1 LYS 27 1HZ LYS 27 4.537 -3.316 10.303 226 HZ2 LYS 27 2HZ LYS 27 4.478 -1.694 9.828 227 HZ3 LYS 27 3HZ LYS 27 5.919 -2.347 10.426 228 H GLU 28 H GLU 28 8.668 -0.068 8.729 229 HA GLU 28 HA GLU 28 10.936 -0.938 10.205 230 HB2 GLU 28 1HB GLU 28 12.132 1.108 10.470 231 HB3 GLU 28 2HB GLU 28 11.941 0.844 8.742 232 HG2 GLU 28 1HG GLU 28 11.078 2.868 8.564 233 HG3 GLU 28 2HG GLU 28 9.715 2.346 9.553 234 H ILE 29 H ILE 29 11.020 0.149 12.389 235 HA ILE 29 HA ILE 29 8.587 1.489 13.217 236 HB ILE 29 HB ILE 29 7.988 -0.912 13.318 237 HG12 ILE 29 1HG1 ILE 29 8.005 -0.476 16.157 238 HG13 ILE 29 2HG1 ILE 29 7.721 1.055 15.335 239 HG21 ILE 29 1HG2 ILE 29 10.441 -1.513 13.927 240 HG22 ILE 29 2HG2 ILE 29 9.902 -1.254 15.585 241 HG23 ILE 29 3HG2 ILE 29 9.120 -2.477 14.583 242 HD11 ILE 29 1HD1 ILE 29 5.810 0.170 14.216 243 HD12 ILE 29 2HD1 ILE 29 6.155 -1.456 14.803 244 HD13 ILE 29 3HD1 ILE 29 5.662 -0.197 15.935 245 HXT ILE 29 HXT ILE 29 8.755 1.670 15.813 Start of MODEL 2 1 H1 TYR 1 1H TYR 1 -0.245 6.507 -0.314 2 H2 TYR 1 2H TYR 1 0.098 4.969 -0.585 3 H3 TYR 1 3H TYR 1 1.167 5.954 0.194 4 HA TYR 1 HA TYR 1 0.479 6.164 -2.598 5 HB2 TYR 1 1HB TYR 1 2.509 7.488 -0.808 6 HB3 TYR 1 2HB TYR 1 2.712 7.432 -2.557 7 HD1 TYR 1 HD1 TYR 1 0.949 8.980 0.210 8 HD2 TYR 1 HD2 TYR 1 1.092 8.603 -4.024 9 HE1 TYR 1 HE1 TYR 1 -0.465 10.980 -0.009 10 HE2 TYR 1 HE2 TYR 1 -0.321 10.603 -4.256 11 HH TYR 1 HH TYR 1 -0.765 12.734 -2.688 12 H CYS 2 H CYS 2 3.079 5.065 -0.285 13 HA CYS 2 HA CYS 2 4.619 3.368 -0.444 14 HB2 CYS 2 1HB CYS 2 2.578 2.105 -2.304 15 HB3 CYS 2 2HB CYS 2 4.073 1.352 -1.844 16 H GLN 3 H GLN 3 6.293 2.562 -1.811 17 HA GLN 3 HA GLN 3 6.532 3.795 -4.464 18 HB2 GLN 3 1HB GLN 3 8.800 4.453 -4.088 19 HB3 GLN 3 2HB GLN 3 7.834 5.105 -2.772 20 HG2 GLN 3 1HG GLN 3 9.624 2.689 -2.680 21 HG3 GLN 3 2HG GLN 3 9.892 4.245 -1.897 22 HE21 GLN 3 1HE2 GLN 3 7.584 4.831 -0.721 23 HE22 GLN 3 2HE2 GLN 3 7.146 3.632 0.442 24 H LYS 4 H LYS 4 5.682 1.250 -4.157 25 HA LYS 4 HA LYS 4 6.073 -0.806 -5.081 26 HB2 LYS 4 1HB LYS 4 7.738 0.601 -6.518 27 HB3 LYS 4 2HB LYS 4 8.969 -0.135 -5.499 28 HG2 LYS 4 1HG LYS 4 8.754 -1.410 -7.514 29 HG3 LYS 4 2HG LYS 4 8.132 -2.365 -6.164 30 HD2 LYS 4 1HD LYS 4 5.945 -2.175 -6.865 31 HD3 LYS 4 2HD LYS 4 6.245 -0.671 -7.739 32 HE2 LYS 4 1HE LYS 4 6.132 -2.024 -9.541 33 HE3 LYS 4 2HE LYS 4 7.820 -2.343 -9.138 34 HZ1 LYS 4 1HZ LYS 4 5.780 -4.185 -9.320 35 HZ2 LYS 4 2HZ LYS 4 6.089 -4.041 -7.662 36 HZ3 LYS 4 3HZ LYS 4 7.341 -4.453 -8.723 37 H TRP 5 H TRP 5 7.815 0.531 -2.509 38 HA TRP 5 HA TRP 5 8.557 -0.374 -0.552 39 HB2 TRP 5 1HB TRP 5 6.597 -1.981 -0.982 40 HB3 TRP 5 2HB TRP 5 7.814 -3.111 -1.567 41 HD1 TRP 5 HD1 TRP 5 7.618 -0.889 1.626 42 HE1 TRP 5 HE1 TRP 5 8.186 -2.376 3.648 43 HE3 TRP 5 HE3 TRP 5 8.335 -5.329 -0.806 44 HZ2 TRP 5 HZ2 TRP 5 8.850 -5.074 4.146 45 HZ3 TRP 5 HZ3 TRP 5 8.935 -7.315 0.516 46 HH2 TRP 5 HH2 TRP 5 9.187 -7.188 2.941 47 H NLE 6 H NLE 6 10.507 -0.755 0.066 48 HA NLE 6 HA NLE 6 12.872 -1.307 -0.011 49 HB2 NLE 6 1HB NLE 6 12.277 -3.325 -2.212 50 HB3 NLE 6 2HB NLE 6 13.548 -3.363 -0.993 51 HG2 NLE 6 1HG NLE 6 11.217 -3.357 0.611 52 HG3 NLE 6 2HG NLE 6 10.663 -4.253 -0.800 53 HD2 NLE 6 1HD NLE 6 11.567 -5.877 0.789 54 HD3 NLE 6 2HD NLE 6 12.699 -5.806 -0.570 55 HE1 NLE 6 1HE NLE 6 12.989 -4.346 2.010 56 HE2 NLE 6 2HE NLE 6 13.837 -5.698 1.524 57 HE3 NLE 6 3HE NLE 6 14.062 -4.253 0.723 58 H TRP 7 H TRP 7 11.169 0.319 -2.315 59 HA TRP 7 HA TRP 7 13.526 0.810 -4.013 60 HB2 TRP 7 1HB TRP 7 11.837 0.128 -5.474 61 HB3 TRP 7 2HB TRP 7 10.579 0.960 -4.564 62 HD1 TRP 7 HD1 TRP 7 9.889 3.298 -5.408 63 HE1 TRP 7 HE1 TRP 7 10.759 4.910 -7.217 64 HE3 TRP 7 HE3 TRP 7 14.216 0.872 -6.642 65 HZ2 TRP 7 HZ2 TRP 7 12.987 5.124 -8.938 66 HZ3 TRP 7 HZ3 TRP 7 15.661 1.848 -8.379 67 HH2 TRP 7 HH2 TRP 7 15.057 3.929 -9.502 68 H THR 8 H THR 8 14.050 2.975 -4.558 69 HA THR 8 HA THR 8 13.688 4.816 -2.402 70 HB THR 8 HB THR 8 15.087 6.343 -3.682 71 HG1 THR 8 HG1 THR 8 14.937 6.227 -5.785 72 HG21 THR 8 1HG2 THR 8 15.914 4.031 -2.605 73 HG22 THR 8 2HG2 THR 8 17.013 5.172 -3.383 74 HG23 THR 8 3HG2 THR 8 16.425 3.767 -4.272 75 H CYS 9 H CYS 9 11.595 5.443 -2.223 76 HA CYS 9 HA CYS 9 9.561 6.247 -3.869 77 HB2 CYS 9 1HB CYS 9 9.166 7.969 -2.033 78 HB3 CYS 9 2HB CYS 9 9.424 6.316 -1.497 79 H ASP 10 H ASP 10 9.939 7.292 -5.898 80 HA ASP 10 HA ASP 10 10.158 10.020 -5.949 81 HB2 ASP 10 1HB ASP 10 12.731 8.801 -5.503 82 HB3 ASP 10 2HB ASP 10 12.726 9.643 -7.051 83 H SER 11 H SER 11 11.930 7.555 -7.825 84 HA SER 11 HA SER 11 10.776 8.585 -10.279 85 HB2 SER 11 1HB SER 11 13.152 7.156 -9.566 86 HB3 SER 11 2HB SER 11 12.273 6.223 -10.779 87 HG SER 11 HG SER 11 13.829 8.037 -11.414 88 H LYS 12 H LYS 12 9.152 7.147 -8.220 89 HA LYS 12 HA LYS 12 7.800 5.362 -10.080 90 HB2 LYS 12 1HB LYS 12 8.971 4.489 -7.451 91 HB3 LYS 12 2HB LYS 12 7.566 3.676 -8.131 92 HG2 LYS 12 1HG LYS 12 9.027 3.449 -10.255 93 HG3 LYS 12 2HG LYS 12 10.370 3.778 -9.158 94 HD2 LYS 12 1HD LYS 12 10.167 1.424 -9.258 95 HD3 LYS 12 2HD LYS 12 9.470 1.905 -7.709 96 HE2 LYS 12 1HE LYS 12 7.896 0.414 -8.499 97 HE3 LYS 12 2HE LYS 12 7.234 1.959 -9.032 98 HZ1 LYS 12 1HZ LYS 12 7.090 0.765 -10.948 99 HZ2 LYS 12 2HZ LYS 12 8.445 -0.188 -10.612 100 HZ3 LYS 12 3HZ LYS 12 8.643 1.402 -11.154 101 H ARG 13 H ARG 13 7.790 6.513 -6.705 102 HA ARG 13 HA ARG 13 5.411 7.952 -6.904 103 HB2 ARG 13 1HB ARG 13 4.113 6.220 -5.354 104 HB3 ARG 13 2HB ARG 13 3.995 6.175 -7.108 105 HG2 ARG 13 1HG ARG 13 6.240 4.619 -6.213 106 HG3 ARG 13 2HG ARG 13 4.758 4.106 -5.402 107 HD2 ARG 13 1HD ARG 13 4.214 4.563 -8.171 108 HD3 ARG 13 2HD ARG 13 5.615 3.503 -8.022 109 HE ARG 13 HE ARG 13 4.247 1.857 -7.184 110 HH11 ARG 13 1HH1 ARG 13 2.532 4.887 -7.242 111 HH12 ARG 13 2HH1 ARG 13 0.996 4.173 -6.872 112 HH21 ARG 13 1HH2 ARG 13 2.232 0.906 -6.694 113 HH22 ARG 13 2HH2 ARG 13 0.828 1.910 -6.559 114 H ALA 14 H ALA 14 4.487 8.479 -4.696 115 HA ALA 14 HA ALA 14 6.554 9.312 -2.988 116 HB1 ALA 14 1HB ALA 14 3.880 9.889 -3.268 117 HB2 ALA 14 2HB ALA 14 3.959 9.113 -1.685 118 HB3 ALA 14 3HB ALA 14 4.954 10.531 -2.023 119 H CYS 15 H CYS 15 5.606 8.772 -0.411 120 HA CYS 15 HA CYS 15 6.289 5.919 -0.158 121 HB2 CYS 15 1HB CYS 15 7.071 8.336 1.377 122 HB3 CYS 15 2HB CYS 15 6.794 6.868 2.309 123 H CYS 16 H CYS 16 5.173 4.618 1.237 124 HA CYS 16 HA CYS 16 2.361 5.287 1.797 125 HB2 CYS 16 1HB CYS 16 3.944 2.860 1.455 126 HB3 CYS 16 2HB CYS 16 3.058 2.758 2.933 127 H GLU 17 H GLU 17 1.520 4.409 3.962 128 HA GLU 17 HA GLU 17 2.572 6.111 6.048 129 HB2 GLU 17 1HB GLU 17 0.598 3.792 6.198 130 HB3 GLU 17 2HB GLU 17 0.922 4.949 7.491 131 HG2 GLU 17 1HG GLU 17 -0.287 5.597 4.766 132 HG3 GLU 17 2HG GLU 17 -1.149 5.497 6.295 133 H GLY 18 H GLY 18 4.032 5.695 7.570 134 HA2 GLY 18 1HA GLY 18 5.206 4.407 9.165 135 HA3 GLY 18 2HA GLY 18 4.812 2.957 8.252 136 H LEU 19 H LEU 19 5.688 3.661 5.727 137 HA LEU 19 HA LEU 19 8.361 2.985 5.772 138 HB2 LEU 19 1HB LEU 19 6.579 4.249 3.752 139 HB3 LEU 19 2HB LEU 19 8.311 4.215 3.437 140 HG LEU 19 HG LEU 19 8.319 2.005 2.980 141 HD11 LEU 19 1HD1 LEU 19 7.867 1.215 5.172 142 HD12 LEU 19 2HD1 LEU 19 6.763 0.374 4.084 143 HD13 LEU 19 3HD1 LEU 19 6.177 1.709 5.072 144 HD21 LEU 19 1HD2 LEU 19 5.570 1.531 2.547 145 HD22 LEU 19 2HD2 LEU 19 6.797 1.988 1.366 146 HD23 LEU 19 3HD2 LEU 19 5.865 3.234 2.196 147 H ARG 20 H ARG 20 10.148 4.389 4.751 148 HA ARG 20 HA ARG 20 10.048 7.134 5.787 149 HB2 ARG 20 1HB ARG 20 12.474 6.772 6.514 150 HB3 ARG 20 2HB ARG 20 11.221 6.053 7.514 151 HG2 ARG 20 1HG ARG 20 11.692 3.893 6.757 152 HG3 ARG 20 2HG ARG 20 12.595 4.486 5.362 153 HD2 ARG 20 1HD ARG 20 14.416 5.163 6.709 154 HD3 ARG 20 2HD ARG 20 13.480 4.984 8.192 155 HE ARG 20 HE ARG 20 14.872 2.919 6.761 156 HH11 ARG 20 1HH1 ARG 20 12.263 3.613 8.959 157 HH12 ARG 20 2HH1 ARG 20 12.251 2.026 9.653 158 HH21 ARG 20 1HH2 ARG 20 14.867 0.825 7.668 159 HH22 ARG 20 2HH2 ARG 20 13.733 0.441 8.920 160 H CYS 21 H CYS 21 10.082 8.248 3.951 161 HA CYS 21 HA CYS 21 11.535 7.420 1.634 162 HB2 CYS 21 1HB CYS 21 9.499 9.049 1.821 163 HB3 CYS 21 2HB CYS 21 10.685 10.284 2.171 164 H LYS 22 H LYS 22 12.983 9.581 0.737 165 HA LYS 22 HA LYS 22 15.109 10.393 0.725 166 HB2 LYS 22 1HB LYS 22 14.215 10.824 3.308 167 HB3 LYS 22 2HB LYS 22 15.737 9.976 3.547 168 HG2 LYS 22 1HG LYS 22 16.973 11.647 2.500 169 HG3 LYS 22 2HG LYS 22 15.552 12.333 1.710 170 HD2 LYS 22 1HD LYS 22 15.678 13.848 3.378 171 HD3 LYS 22 2HD LYS 22 14.847 12.597 4.307 172 HE2 LYS 22 1HE LYS 22 17.652 12.076 4.348 173 HE3 LYS 22 2HE LYS 22 17.380 13.759 4.793 174 HZ1 LYS 22 1HZ LYS 22 17.127 11.588 6.434 175 HZ2 LYS 22 2HZ LYS 22 15.529 12.007 6.074 176 HZ3 LYS 22 3HZ LYS 22 16.571 13.153 6.756 177 H LEU 23 H LEU 23 16.588 9.165 -0.220 178 HA LEU 23 HA LEU 23 18.288 7.653 -0.457 179 HB2 LEU 23 1HB LEU 23 18.194 7.992 2.254 180 HB3 LEU 23 2HB LEU 23 17.915 6.260 2.093 181 HG LEU 23 HG LEU 23 20.292 7.750 0.982 182 HD11 LEU 23 1HD1 LEU 23 20.152 5.882 3.341 183 HD12 LEU 23 2HD1 LEU 23 20.219 7.640 3.459 184 HD13 LEU 23 3HD1 LEU 23 21.566 6.753 2.751 185 HD21 LEU 23 1HD2 LEU 23 20.717 4.964 1.238 186 HD22 LEU 23 2HD2 LEU 23 20.674 5.936 -0.234 187 HD23 LEU 23 3HD2 LEU 23 19.194 5.196 0.377 188 H TRP 24 H TRP 24 15.596 6.263 1.421 189 HA TRP 24 HA TRP 24 14.636 4.647 -0.644 190 HB2 TRP 24 1HB TRP 24 15.641 2.610 -0.434 191 HB3 TRP 24 2HB TRP 24 16.989 3.606 0.109 192 HD1 TRP 24 HD1 TRP 24 14.295 1.227 1.448 193 HE1 TRP 24 HE1 TRP 24 14.982 0.458 3.805 194 HE3 TRP 24 HE3 TRP 24 18.350 4.263 2.143 195 HZ2 TRP 24 HZ2 TRP 24 16.980 1.056 5.708 196 HZ3 TRP 24 HZ3 TRP 24 19.594 4.101 4.260 197 HH2 TRP 24 HH2 TRP 24 18.922 2.532 6.005 198 H CYS 25 H CYS 25 12.726 3.655 -0.087 199 HA CYS 25 HA CYS 25 11.738 4.270 2.593 200 HB2 CYS 25 1HB CYS 25 10.553 4.023 -0.068 201 HB3 CYS 25 2HB CYS 25 9.619 3.202 1.177 202 H ARG 26 H ARG 26 10.782 2.738 3.942 203 HA ARG 26 HA ARG 26 10.440 0.017 3.294 204 HB2 ARG 26 1HB ARG 26 13.126 0.748 3.844 205 HB3 ARG 26 2HB ARG 26 12.541 -0.168 5.228 206 HG2 ARG 26 1HG ARG 26 12.423 -1.084 2.362 207 HG3 ARG 26 2HG ARG 26 13.625 -1.589 3.552 208 HD2 ARG 26 1HD ARG 26 10.653 -2.089 3.624 209 HD3 ARG 26 2HD ARG 26 11.933 -3.284 3.407 210 HE ARG 26 HE ARG 26 10.969 -2.249 5.875 211 HH11 ARG 26 1HH1 ARG 26 13.840 -3.392 4.270 212 HH12 ARG 26 2HH1 ARG 26 14.613 -3.901 5.735 213 HH21 ARG 26 1HH2 ARG 26 11.976 -2.915 7.809 214 HH22 ARG 26 2HH2 ARG 26 13.552 -3.630 7.748 215 H LYS 27 H LYS 27 9.613 -1.211 5.040 216 HA LYS 27 HA LYS 27 8.055 0.185 6.871 217 HB2 LYS 27 1HB LYS 27 8.569 -2.550 6.211 218 HB3 LYS 27 2HB LYS 27 8.585 -2.382 7.962 219 HG2 LYS 27 1HG LYS 27 6.374 -1.123 7.669 220 HG3 LYS 27 2HG LYS 27 6.358 -1.810 6.044 221 HD2 LYS 27 1HD LYS 27 6.358 -4.036 6.905 222 HD3 LYS 27 2HD LYS 27 6.661 -3.462 8.546 223 HE2 LYS 27 1HE LYS 27 4.480 -2.393 8.595 224 HE3 LYS 27 2HE LYS 27 4.182 -2.880 6.927 225 HZ1 LYS 27 1HZ LYS 27 3.785 -5.017 7.523 226 HZ2 LYS 27 2HZ LYS 27 3.296 -4.273 8.960 227 HZ3 LYS 27 3HZ LYS 27 4.829 -4.980 8.853 228 H GLU 28 H GLU 28 8.170 0.338 9.176 229 HA GLU 28 HA GLU 28 10.933 0.346 10.201 230 HB2 GLU 28 1HB GLU 28 10.067 2.614 9.952 231 HB3 GLU 28 2HB GLU 28 8.648 2.198 10.900 232 HG2 GLU 28 1HG GLU 28 9.914 1.982 12.882 233 HG3 GLU 28 2HG GLU 28 11.437 2.030 11.995 234 H ILE 29 H ILE 29 10.782 -1.749 11.045 235 HA ILE 29 HA ILE 29 10.393 -3.315 12.649 236 HB ILE 29 HB ILE 29 9.338 -0.977 14.246 237 HG12 ILE 29 1HG1 ILE 29 12.088 -2.234 14.303 238 HG13 ILE 29 2HG1 ILE 29 11.700 -0.766 13.413 239 HG21 ILE 29 1HG2 ILE 29 8.580 -2.808 15.419 240 HG22 ILE 29 2HG2 ILE 29 9.936 -3.820 14.923 241 HG23 ILE 29 3HG2 ILE 29 10.170 -2.566 16.141 242 HD11 ILE 29 1HD1 ILE 29 11.882 0.479 15.239 243 HD12 ILE 29 2HD1 ILE 29 10.850 -0.604 16.171 244 HD13 ILE 29 3HD1 ILE 29 12.574 -0.939 16.026 245 HXT ILE 29 HXT ILE 29 8.142 -2.865 14.461 Start of MODEL 3 1 H1 TYR 1 1H TYR 1 1.542 7.899 -2.530 2 H2 TYR 1 2H TYR 1 2.446 7.246 -1.384 3 H3 TYR 1 3H TYR 1 2.792 7.008 -2.979 4 HA TYR 1 HA TYR 1 0.856 5.734 -1.305 5 HB2 TYR 1 1HB TYR 1 -0.118 6.699 -3.524 6 HB3 TYR 1 2HB TYR 1 0.813 5.418 -4.291 7 HD1 TYR 1 HD1 TYR 1 -1.925 6.112 -1.908 8 HD2 TYR 1 HD2 TYR 1 0.080 3.155 -4.217 9 HE1 TYR 1 HE1 TYR 1 -3.746 4.525 -1.445 10 HE2 TYR 1 HE2 TYR 1 -1.734 1.561 -3.762 11 HH TYR 1 HH TYR 1 -4.067 1.559 -3.116 12 H CYS 2 H CYS 2 3.043 4.877 -0.488 13 HA CYS 2 HA CYS 2 4.747 3.300 -0.479 14 HB2 CYS 2 1HB CYS 2 2.829 1.826 -2.318 15 HB3 CYS 2 2HB CYS 2 4.295 1.141 -1.690 16 H GLN 3 H GLN 3 6.370 2.186 -1.831 17 HA GLN 3 HA GLN 3 6.790 3.332 -4.490 18 HB2 GLN 3 1HB GLN 3 9.098 3.862 -4.045 19 HB3 GLN 3 2HB GLN 3 8.092 4.683 -2.859 20 HG2 GLN 3 1HG GLN 3 9.651 2.148 -2.413 21 HG3 GLN 3 2HG GLN 3 10.081 3.755 -1.829 22 HE21 GLN 3 1HE2 GLN 3 7.782 4.735 -0.868 23 HE22 GLN 3 2HE2 GLN 3 7.194 3.765 0.436 24 H LYS 4 H LYS 4 5.817 0.836 -4.083 25 HA LYS 4 HA LYS 4 6.147 -1.278 -4.887 26 HB2 LYS 4 1HB LYS 4 8.044 0.106 -6.223 27 HB3 LYS 4 2HB LYS 4 9.065 -0.977 -5.288 28 HG2 LYS 4 1HG LYS 4 8.766 -2.247 -7.149 29 HG3 LYS 4 2HG LYS 4 7.381 -2.791 -6.200 30 HD2 LYS 4 1HD LYS 4 6.097 -0.901 -7.386 31 HD3 LYS 4 2HD LYS 4 7.446 -0.892 -8.523 32 HE2 LYS 4 1HE LYS 4 6.874 -2.888 -9.426 33 HE3 LYS 4 2HE LYS 4 6.282 -3.532 -7.894 34 HZ1 LYS 4 1HZ LYS 4 4.501 -3.207 -9.515 35 HZ2 LYS 4 2HZ LYS 4 4.847 -1.552 -9.580 36 HZ3 LYS 4 3HZ LYS 4 4.274 -2.241 -8.144 37 H TRP 5 H TRP 5 7.883 0.120 -2.350 38 HA TRP 5 HA TRP 5 8.541 -0.717 -0.332 39 HB2 TRP 5 1HB TRP 5 6.570 -2.320 -0.774 40 HB3 TRP 5 2HB TRP 5 7.800 -3.489 -1.247 41 HD1 TRP 5 HD1 TRP 5 7.770 -1.063 1.789 42 HE1 TRP 5 HE1 TRP 5 8.125 -2.464 3.918 43 HE3 TRP 5 HE3 TRP 5 7.873 -5.722 -0.313 44 HZ2 TRP 5 HZ2 TRP 5 8.411 -5.185 4.617 45 HZ3 TRP 5 HZ3 TRP 5 8.192 -7.672 1.155 46 HH2 TRP 5 HH2 TRP 5 8.456 -7.406 3.568 47 H NLE 6 H NLE 6 10.471 -1.083 0.346 48 HA NLE 6 HA NLE 6 12.841 -1.582 0.320 49 HB2 NLE 6 1HB NLE 6 13.338 -3.759 0.049 50 HB3 NLE 6 2HB NLE 6 11.593 -3.964 -0.095 51 HG2 NLE 6 1HG NLE 6 11.794 -4.720 -2.261 52 HG3 NLE 6 2HG NLE 6 12.725 -3.314 -2.761 53 HD2 NLE 6 1HD NLE 6 13.909 -5.795 -1.337 54 HD3 NLE 6 2HD NLE 6 14.008 -5.465 -3.070 55 HE1 NLE 6 1HE NLE 6 15.118 -3.742 -0.911 56 HE2 NLE 6 2HE NLE 6 15.976 -4.748 -1.932 57 HE3 NLE 6 3HE NLE 6 15.204 -3.405 -2.551 58 H TRP 7 H TRP 7 11.235 -0.124 -2.077 59 HA TRP 7 HA TRP 7 13.572 0.057 -3.861 60 HB2 TRP 7 1HB TRP 7 11.849 -0.754 -5.219 61 HB3 TRP 7 2HB TRP 7 10.628 0.233 -4.423 62 HD1 TRP 7 HD1 TRP 7 10.197 2.638 -5.374 63 HE1 TRP 7 HE1 TRP 7 11.052 3.908 -7.443 64 HE3 TRP 7 HE3 TRP 7 14.008 -0.488 -6.727 65 HZ2 TRP 7 HZ2 TRP 7 13.076 3.622 -9.390 66 HZ3 TRP 7 HZ3 TRP 7 15.356 0.082 -8.705 67 HH2 TRP 7 HH2 TRP 7 14.897 2.095 -10.008 68 H THR 8 H THR 8 14.295 2.083 -4.495 69 HA THR 8 HA THR 8 14.079 4.162 -2.631 70 HB THR 8 HB THR 8 15.176 5.581 -4.393 71 HG1 THR 8 HG1 THR 8 15.929 4.091 -6.219 72 HG21 THR 8 1HG2 THR 8 16.239 3.639 -2.836 73 HG22 THR 8 2HG2 THR 8 17.193 4.697 -3.877 74 HG23 THR 8 3HG2 THR 8 16.743 3.085 -4.432 75 H CYS 9 H CYS 9 12.176 5.111 -2.210 76 HA CYS 9 HA CYS 9 10.046 5.457 -3.970 77 HB2 CYS 9 1HB CYS 9 9.097 6.926 -2.332 78 HB3 CYS 9 2HB CYS 9 9.964 5.664 -1.466 79 H ASP 10 H ASP 10 9.250 8.057 -3.969 80 HA ASP 10 HA ASP 10 9.439 10.042 -5.065 81 HB2 ASP 10 1HB ASP 10 12.431 9.641 -4.960 82 HB3 ASP 10 2HB ASP 10 11.562 11.161 -5.146 83 H SER 11 H SER 11 9.244 10.585 -7.168 84 HA SER 11 HA SER 11 9.252 10.394 -9.435 85 HB2 SER 11 1HB SER 11 11.971 9.873 -8.606 86 HB3 SER 11 2HB SER 11 11.575 8.936 -10.047 87 HG SER 11 HG SER 11 11.903 10.735 -11.069 88 H LYS 12 H LYS 12 8.583 8.033 -7.492 89 HA LYS 12 HA LYS 12 8.190 6.070 -9.650 90 HB2 LYS 12 1HB LYS 12 9.983 5.396 -8.006 91 HB3 LYS 12 2HB LYS 12 8.735 5.351 -6.768 92 HG2 LYS 12 1HG LYS 12 9.062 3.130 -7.512 93 HG3 LYS 12 2HG LYS 12 7.524 3.674 -8.182 94 HD2 LYS 12 1HD LYS 12 8.247 3.439 -10.285 95 HD3 LYS 12 2HD LYS 12 9.775 4.251 -9.933 96 HE2 LYS 12 1HE LYS 12 10.873 2.315 -9.680 97 HE3 LYS 12 2HE LYS 12 9.560 1.585 -8.757 98 HZ1 LYS 12 1HZ LYS 12 9.647 1.851 -11.713 99 HZ2 LYS 12 2HZ LYS 12 8.397 1.140 -10.824 100 HZ3 LYS 12 3HZ LYS 12 9.931 0.427 -10.846 101 H ARG 13 H ARG 13 7.096 7.177 -6.459 102 HA ARG 13 HA ARG 13 4.443 7.496 -7.054 103 HB2 ARG 13 1HB ARG 13 3.551 5.338 -5.906 104 HB3 ARG 13 2HB ARG 13 4.012 5.285 -7.602 105 HG2 ARG 13 1HG ARG 13 5.893 4.033 -7.197 106 HG3 ARG 13 2HG ARG 13 6.026 4.577 -5.524 107 HD2 ARG 13 1HD ARG 13 5.316 2.337 -5.400 108 HD3 ARG 13 2HD ARG 13 3.875 3.307 -5.092 109 HE ARG 13 HE ARG 13 4.132 2.639 -7.850 110 HH11 ARG 13 1HH1 ARG 13 3.149 1.391 -4.751 111 HH12 ARG 13 2HH1 ARG 13 2.042 0.240 -5.421 112 HH21 ARG 13 1HH2 ARG 13 2.675 1.128 -8.743 113 HH22 ARG 13 2HH2 ARG 13 1.773 0.091 -7.691 114 H ALA 14 H ALA 14 6.516 8.496 -5.344 115 HA ALA 14 HA ALA 14 6.836 9.330 -3.248 116 HB1 ALA 14 1HB ALA 14 5.009 10.304 -2.330 117 HB2 ALA 14 2HB ALA 14 4.284 9.836 -3.868 118 HB3 ALA 14 3HB ALA 14 4.034 8.837 -2.437 119 H CYS 15 H CYS 15 5.745 8.759 -0.782 120 HA CYS 15 HA CYS 15 6.486 5.930 -0.420 121 HB2 CYS 15 1HB CYS 15 7.216 8.395 1.057 122 HB3 CYS 15 2HB CYS 15 6.903 6.963 2.034 123 H CYS 16 H CYS 16 5.336 4.674 1.056 124 HA CYS 16 HA CYS 16 2.501 5.377 1.462 125 HB2 CYS 16 1HB CYS 16 4.046 2.913 1.352 126 HB3 CYS 16 2HB CYS 16 3.162 2.934 2.823 127 H GLU 17 H GLU 17 1.733 4.379 3.703 128 HA GLU 17 HA GLU 17 2.594 6.393 5.580 129 HB2 GLU 17 1HB GLU 17 0.561 4.162 5.605 130 HB3 GLU 17 2HB GLU 17 1.009 4.944 7.140 131 HG2 GLU 17 1HG GLU 17 -0.856 6.163 6.291 132 HG3 GLU 17 2HG GLU 17 0.579 7.169 5.979 133 H GLY 18 H GLY 18 3.997 6.193 7.250 134 HA2 GLY 18 1HA GLY 18 5.136 5.083 8.990 135 HA3 GLY 18 2HA GLY 18 4.739 3.545 8.236 136 H LEU 19 H LEU 19 5.669 4.013 5.649 137 HA LEU 19 HA LEU 19 8.310 3.255 5.792 138 HB2 LEU 19 1HB LEU 19 6.598 4.425 3.668 139 HB3 LEU 19 2HB LEU 19 8.337 4.378 3.383 140 HG LEU 19 HG LEU 19 8.361 2.142 3.062 141 HD11 LEU 19 1HD1 LEU 19 6.716 0.594 4.200 142 HD12 LEU 19 2HD1 LEU 19 6.183 1.994 5.130 143 HD13 LEU 19 3HD1 LEU 19 7.852 1.435 5.254 144 HD21 LEU 19 1HD2 LEU 19 5.674 1.589 2.531 145 HD22 LEU 19 2HD2 LEU 19 6.905 2.121 1.385 146 HD23 LEU 19 3HD2 LEU 19 5.878 3.309 2.190 147 H ARG 20 H ARG 20 10.205 4.483 4.822 148 HA ARG 20 HA ARG 20 10.190 7.299 5.668 149 HB2 ARG 20 1HB ARG 20 12.515 6.953 6.536 150 HB3 ARG 20 2HB ARG 20 11.265 6.126 7.456 151 HG2 ARG 20 1HG ARG 20 12.299 4.428 5.371 152 HG3 ARG 20 2HG ARG 20 13.594 5.028 6.408 153 HD2 ARG 20 1HD ARG 20 11.070 3.882 7.557 154 HD3 ARG 20 2HD ARG 20 12.413 2.845 7.075 155 HE ARG 20 HE ARG 20 12.284 4.556 9.380 156 HH11 ARG 20 1HH1 ARG 20 14.389 2.937 7.130 157 HH12 ARG 20 2HH1 ARG 20 15.735 2.893 8.221 158 HH21 ARG 20 1HH2 ARG 20 14.048 4.506 10.825 159 HH22 ARG 20 2HH2 ARG 20 15.540 3.786 10.322 160 H CYS 21 H CYS 21 10.364 8.334 3.773 161 HA CYS 21 HA CYS 21 11.635 7.359 1.473 162 HB2 CYS 21 1HB CYS 21 10.189 9.686 2.223 163 HB3 CYS 21 2HB CYS 21 11.691 10.219 1.473 164 H LYS 22 H LYS 22 13.273 9.391 0.556 165 HA LYS 22 HA LYS 22 15.414 10.172 0.573 166 HB2 LYS 22 1HB LYS 22 15.578 9.592 3.520 167 HB3 LYS 22 2HB LYS 22 16.430 10.825 2.598 168 HG2 LYS 22 1HG LYS 22 13.958 11.673 2.162 169 HG3 LYS 22 2HG LYS 22 13.673 10.827 3.685 170 HD2 LYS 22 1HD LYS 22 15.913 12.184 4.314 171 HD3 LYS 22 2HD LYS 22 15.207 13.290 3.134 172 HE2 LYS 22 1HE LYS 22 13.169 13.424 4.397 173 HE3 LYS 22 2HE LYS 22 13.721 12.169 5.504 174 HZ1 LYS 22 1HZ LYS 22 15.504 13.657 6.216 175 HZ2 LYS 22 2HZ LYS 22 13.981 14.341 6.490 176 HZ3 LYS 22 3HZ LYS 22 14.923 14.865 5.186 177 H LEU 23 H LEU 23 16.704 8.823 -0.497 178 HA LEU 23 HA LEU 23 18.337 7.253 -0.818 179 HB2 LEU 23 1HB LEU 23 18.544 7.693 1.830 180 HB3 LEU 23 2HB LEU 23 18.052 6.000 1.837 181 HG LEU 23 HG LEU 23 20.514 7.176 0.556 182 HD11 LEU 23 1HD1 LEU 23 21.687 6.391 2.306 183 HD12 LEU 23 2HD1 LEU 23 20.668 4.962 2.486 184 HD13 LEU 23 3HD1 LEU 23 20.140 6.512 3.145 185 HD21 LEU 23 1HD2 LEU 23 19.113 4.614 0.132 186 HD22 LEU 23 2HD2 LEU 23 20.860 4.519 0.360 187 HD23 LEU 23 3HD2 LEU 23 20.191 5.512 -0.938 188 H TRP 24 H TRP 24 15.725 6.022 1.266 189 HA TRP 24 HA TRP 24 14.612 4.362 -0.698 190 HB2 TRP 24 1HB TRP 24 15.524 2.289 -0.401 191 HB3 TRP 24 2HB TRP 24 16.937 3.253 0.027 192 HD1 TRP 24 HD1 TRP 24 14.228 1.050 1.597 193 HE1 TRP 24 HE1 TRP 24 14.972 0.403 3.975 194 HE3 TRP 24 HE3 TRP 24 18.375 4.014 1.985 195 HZ2 TRP 24 HZ2 TRP 24 17.042 1.062 5.777 196 HZ3 TRP 24 HZ3 TRP 24 19.681 3.947 4.068 197 HH2 TRP 24 HH2 TRP 24 19.027 2.502 5.925 198 H CYS 25 H CYS 25 12.708 3.390 -0.011 199 HA CYS 25 HA CYS 25 11.814 4.233 2.645 200 HB2 CYS 25 1HB CYS 25 10.529 3.799 0.040 201 HB3 CYS 25 2HB CYS 25 9.610 3.166 1.403 202 H ARG 26 H ARG 26 10.913 2.827 4.139 203 HA ARG 26 HA ARG 26 10.568 0.040 3.624 204 HB2 ARG 26 1HB ARG 26 13.181 0.891 4.336 205 HB3 ARG 26 2HB ARG 26 12.504 0.059 5.729 206 HG2 ARG 26 1HG ARG 26 12.740 -1.040 2.935 207 HG3 ARG 26 2HG ARG 26 13.724 -1.487 4.330 208 HD2 ARG 26 1HD ARG 26 10.751 -1.899 4.041 209 HD3 ARG 26 2HD ARG 26 11.988 -3.147 3.914 210 HE ARG 26 HE ARG 26 10.938 -1.981 6.327 211 HH11 ARG 26 1HH1 ARG 26 13.611 -3.679 4.877 212 HH12 ARG 26 2HH1 ARG 26 14.169 -4.346 6.376 213 HH21 ARG 26 1HH2 ARG 26 11.662 -2.855 8.306 214 HH22 ARG 26 2HH2 ARG 26 13.059 -3.879 8.326 215 H LYS 27 H LYS 27 9.588 -1.062 5.358 216 HA LYS 27 HA LYS 27 7.864 0.412 6.950 217 HB2 LYS 27 1HB LYS 27 8.474 -2.340 6.532 218 HB3 LYS 27 2HB LYS 27 8.394 -2.060 8.267 219 HG2 LYS 27 1HG LYS 27 6.172 -0.857 7.735 220 HG3 LYS 27 2HG LYS 27 6.261 -1.723 6.201 221 HD2 LYS 27 1HD LYS 27 5.523 -3.584 7.168 222 HD3 LYS 27 2HD LYS 27 6.830 -3.523 8.353 223 HE2 LYS 27 1HE LYS 27 4.978 -3.421 9.715 224 HE3 LYS 27 2HE LYS 27 5.332 -1.710 9.483 225 HZ1 LYS 27 1HZ LYS 27 3.683 -1.760 7.630 226 HZ2 LYS 27 2HZ LYS 27 3.020 -2.003 9.167 227 HZ3 LYS 27 3HZ LYS 27 3.244 -3.318 8.126 228 H GLU 28 H GLU 28 7.843 1.034 9.099 229 HA GLU 28 HA GLU 28 10.173 2.005 10.221 230 HB2 GLU 28 1HB GLU 28 7.410 1.819 10.969 231 HB3 GLU 28 2HB GLU 28 8.412 1.440 12.364 232 HG2 GLU 28 1HG GLU 28 9.130 3.826 10.760 233 HG3 GLU 28 2HG GLU 28 7.690 3.913 11.771 234 H ILE 29 H ILE 29 8.620 -1.118 10.670 235 HA ILE 29 HA ILE 29 10.899 -1.951 12.342 236 HB ILE 29 HB ILE 29 8.133 -3.160 12.283 237 HG12 ILE 29 1HG1 ILE 29 8.717 -2.161 14.836 238 HG13 ILE 29 2HG1 ILE 29 9.227 -0.898 13.723 239 HG21 ILE 29 1HG2 ILE 29 9.449 -4.920 12.925 240 HG22 ILE 29 2HG2 ILE 29 10.673 -3.882 13.654 241 HG23 ILE 29 3HG2 ILE 29 9.144 -4.163 14.489 242 HD11 ILE 29 1HD1 ILE 29 7.131 -0.277 13.403 243 HD12 ILE 29 2HD1 ILE 29 6.666 -1.914 12.943 244 HD13 ILE 29 3HD1 ILE 29 6.644 -1.435 14.640 245 HXT ILE 29 HXT ILE 29 11.409 -4.155 12.004 Start of MODEL 4 1 H1 TYR 1 1H TYR 1 -0.184 3.607 -3.034 2 H2 TYR 1 2H TYR 1 -0.637 5.111 -3.333 3 H3 TYR 1 3H TYR 1 0.892 4.599 -3.677 4 HA TYR 1 HA TYR 1 0.446 6.173 -1.803 5 HB2 TYR 1 1HB TYR 1 -0.754 3.673 -0.926 6 HB3 TYR 1 2HB TYR 1 0.495 4.225 0.187 7 HD1 TYR 1 HD1 TYR 1 -2.810 4.904 -1.204 8 HD2 TYR 1 HD2 TYR 1 0.245 6.348 1.380 9 HE1 TYR 1 HE1 TYR 1 -4.404 6.500 -0.220 10 HE2 TYR 1 HE2 TYR 1 -1.338 7.947 2.371 11 HH TYR 1 HH TYR 1 -4.373 8.622 0.989 12 H CYS 2 H CYS 2 1.745 2.865 -1.464 13 HA CYS 2 HA CYS 2 4.220 3.720 -0.401 14 HB2 CYS 2 1HB CYS 2 3.691 1.104 -1.817 15 HB3 CYS 2 2HB CYS 2 4.917 1.432 -0.594 16 H GLN 3 H GLN 3 6.219 2.479 -1.718 17 HA GLN 3 HA GLN 3 6.220 3.638 -4.420 18 HB2 GLN 3 1HB GLN 3 8.282 4.692 -4.119 19 HB3 GLN 3 2HB GLN 3 7.436 5.018 -2.611 20 HG2 GLN 3 1HG GLN 3 9.735 3.196 -3.140 21 HG3 GLN 3 2HG GLN 3 9.532 4.416 -1.884 22 HE21 GLN 3 1HE2 GLN 3 7.228 3.794 -0.703 23 HE22 GLN 3 2HE2 GLN 3 7.287 2.213 -0.006 24 H LYS 4 H LYS 4 5.651 1.097 -4.325 25 HA LYS 4 HA LYS 4 6.278 -0.878 -5.290 26 HB2 LYS 4 1HB LYS 4 7.973 0.720 -6.487 27 HB3 LYS 4 2HB LYS 4 9.146 -0.017 -5.404 28 HG2 LYS 4 1HG LYS 4 9.332 -1.342 -7.269 29 HG3 LYS 4 2HG LYS 4 8.168 -2.254 -6.304 30 HD2 LYS 4 1HD LYS 4 6.339 -1.420 -7.598 31 HD3 LYS 4 2HD LYS 4 7.385 -0.273 -8.439 32 HE2 LYS 4 1HE LYS 4 6.871 -2.212 -9.838 33 HE3 LYS 4 2HE LYS 4 8.593 -2.120 -9.474 34 HZ1 LYS 4 1HZ LYS 4 7.007 -4.300 -9.132 35 HZ2 LYS 4 2HZ LYS 4 7.136 -3.679 -7.564 36 HZ3 LYS 4 3HZ LYS 4 8.532 -4.070 -8.437 37 H TRP 5 H TRP 5 7.619 0.444 -2.497 38 HA TRP 5 HA TRP 5 8.283 -0.482 -0.528 39 HB2 TRP 5 1HB TRP 5 6.451 -2.146 -1.099 40 HB3 TRP 5 2HB TRP 5 7.717 -3.190 -1.737 41 HD1 TRP 5 HD1 TRP 5 7.444 -1.211 1.605 42 HE1 TRP 5 HE1 TRP 5 7.987 -2.838 3.524 43 HE3 TRP 5 HE3 TRP 5 8.194 -5.468 -1.127 44 HZ2 TRP 5 HZ2 TRP 5 8.645 -5.566 3.837 45 HZ3 TRP 5 HZ3 TRP 5 8.777 -7.543 0.060 46 HH2 TRP 5 HH2 TRP 5 8.998 -7.587 2.491 47 H NLE 6 H NLE 6 10.191 -0.793 0.244 48 HA NLE 6 HA NLE 6 12.588 -1.138 0.327 49 HB2 NLE 6 1HB NLE 6 11.957 -3.497 0.123 50 HB3 NLE 6 2HB NLE 6 11.865 -3.389 -1.633 51 HG2 NLE 6 1HG NLE 6 14.024 -4.443 -0.708 52 HG3 NLE 6 2HG NLE 6 14.302 -3.128 -1.843 53 HD2 NLE 6 1HD NLE 6 15.079 -1.630 -0.159 54 HD3 NLE 6 2HD NLE 6 14.175 -2.427 1.135 55 HE1 NLE 6 1HE NLE 6 16.528 -3.563 -0.290 56 HE2 NLE 6 2HE NLE 6 16.501 -2.934 1.255 57 HE3 NLE 6 3HE NLE 6 15.670 -4.340 0.922 58 H TRP 7 H TRP 7 11.026 0.425 -2.031 59 HA TRP 7 HA TRP 7 13.433 0.887 -3.665 60 HB2 TRP 7 1HB TRP 7 11.820 0.145 -5.183 61 HB3 TRP 7 2HB TRP 7 10.511 0.976 -4.343 62 HD1 TRP 7 HD1 TRP 7 9.874 3.347 -5.184 63 HE1 TRP 7 HE1 TRP 7 10.772 4.910 -7.021 64 HE3 TRP 7 HE3 TRP 7 14.155 0.820 -6.381 65 HZ2 TRP 7 HZ2 TRP 7 12.999 5.054 -8.749 66 HZ3 TRP 7 HZ3 TRP 7 15.613 1.737 -8.138 67 HH2 TRP 7 HH2 TRP 7 15.046 3.809 -9.297 68 H THR 8 H THR 8 13.851 3.079 -4.334 69 HA THR 8 HA THR 8 13.452 4.951 -2.206 70 HB THR 8 HB THR 8 14.802 6.490 -3.519 71 HG1 THR 8 HG1 THR 8 15.560 5.616 -5.630 72 HG21 THR 8 1HG2 THR 8 15.713 4.247 -2.402 73 HG22 THR 8 2HG2 THR 8 16.771 5.372 -3.254 74 HG23 THR 8 3HG2 THR 8 16.184 3.923 -4.070 75 H CYS 9 H CYS 9 11.418 5.593 -1.994 76 HA CYS 9 HA CYS 9 9.330 6.258 -3.618 77 HB2 CYS 9 1HB CYS 9 8.988 8.111 -1.810 78 HB3 CYS 9 2HB CYS 9 9.084 6.446 -1.284 79 H ASP 10 H ASP 10 9.845 7.236 -5.764 80 HA ASP 10 HA ASP 10 9.864 9.981 -5.856 81 HB2 ASP 10 1HB ASP 10 12.484 8.924 -5.246 82 HB3 ASP 10 2HB ASP 10 12.505 9.786 -6.781 83 H SER 11 H SER 11 12.138 7.930 -7.646 84 HA SER 11 HA SER 11 11.213 8.778 -10.168 85 HB2 SER 11 1HB SER 11 13.284 7.083 -9.152 86 HB3 SER 11 2HB SER 11 12.446 6.234 -10.451 87 HG SER 11 HG SER 11 14.051 8.469 -10.548 88 H LYS 12 H LYS 12 9.898 6.591 -7.960 89 HA LYS 12 HA LYS 12 8.296 5.298 -10.069 90 HB2 LYS 12 1HB LYS 12 9.735 3.831 -8.571 91 HB3 LYS 12 2HB LYS 12 8.663 4.284 -7.251 92 HG2 LYS 12 1HG LYS 12 7.352 2.597 -7.821 93 HG3 LYS 12 2HG LYS 12 6.987 3.444 -9.326 94 HD2 LYS 12 1HD LYS 12 7.763 1.189 -9.792 95 HD3 LYS 12 2HD LYS 12 8.933 2.373 -10.383 96 HE2 LYS 12 1HE LYS 12 9.540 1.672 -7.669 97 HE3 LYS 12 2HE LYS 12 9.384 0.209 -8.640 98 HZ1 LYS 12 1HZ LYS 12 11.052 0.947 -10.108 99 HZ2 LYS 12 2HZ LYS 12 11.658 1.232 -8.557 100 HZ3 LYS 12 3HZ LYS 12 11.049 2.514 -9.473 101 H ARG 13 H ARG 13 8.145 6.649 -6.788 102 HA ARG 13 HA ARG 13 5.889 8.178 -7.126 103 HB2 ARG 13 1HB ARG 13 4.220 6.655 -5.859 104 HB3 ARG 13 2HB ARG 13 4.460 6.399 -7.583 105 HG2 ARG 13 1HG ARG 13 6.356 4.783 -6.314 106 HG3 ARG 13 2HG ARG 13 4.863 4.588 -5.394 107 HD2 ARG 13 1HD ARG 13 4.587 4.549 -8.329 108 HD3 ARG 13 2HD ARG 13 5.455 3.187 -7.620 109 HE ARG 13 HE ARG 13 3.177 3.461 -6.114 110 HH11 ARG 13 1HH1 ARG 13 3.914 2.922 -9.473 111 HH12 ARG 13 2HH1 ARG 13 2.469 2.017 -9.780 112 HH21 ARG 13 1HH2 ARG 13 1.270 2.271 -6.506 113 HH22 ARG 13 2HH2 ARG 13 0.965 1.648 -8.091 114 H ALA 14 H ALA 14 4.595 8.261 -4.828 115 HA ALA 14 HA ALA 14 6.602 9.086 -2.958 116 HB1 ALA 14 1HB ALA 14 3.985 9.792 -3.445 117 HB2 ALA 14 2HB ALA 14 3.897 8.946 -1.899 118 HB3 ALA 14 3HB ALA 14 4.971 10.332 -2.086 119 H CYS 15 H CYS 15 6.068 8.599 -0.588 120 HA CYS 15 HA CYS 15 6.248 5.712 -0.370 121 HB2 CYS 15 1HB CYS 15 7.812 7.824 0.726 122 HB3 CYS 15 2HB CYS 15 6.925 7.103 2.123 123 H CYS 16 H CYS 16 5.558 4.523 1.615 124 HA CYS 16 HA CYS 16 2.698 4.981 1.539 125 HB2 CYS 16 1HB CYS 16 4.391 2.740 1.960 126 HB3 CYS 16 2HB CYS 16 3.425 2.950 3.418 127 H GLU 17 H GLU 17 1.601 4.492 3.869 128 HA GLU 17 HA GLU 17 2.344 6.778 5.537 129 HB2 GLU 17 1HB GLU 17 -0.014 6.148 5.089 130 HB3 GLU 17 2HB GLU 17 0.234 4.617 5.929 131 HG2 GLU 17 1HG GLU 17 -0.883 6.161 7.410 132 HG3 GLU 17 2HG GLU 17 0.737 5.868 8.032 133 H GLY 18 H GLY 18 4.004 6.625 6.894 134 HA2 GLY 18 1HA GLY 18 4.820 5.866 9.032 135 HA3 GLY 18 2HA GLY 18 4.321 4.238 8.595 136 H LEU 19 H LEU 19 5.454 4.567 5.861 137 HA LEU 19 HA LEU 19 7.928 3.371 6.260 138 HB2 LEU 19 1HB LEU 19 6.391 4.371 4.028 139 HB3 LEU 19 2HB LEU 19 8.113 4.657 3.794 140 HG LEU 19 HG LEU 19 8.587 2.313 3.941 141 HD11 LEU 19 1HD1 LEU 19 6.823 0.651 4.287 142 HD12 LEU 19 2HD1 LEU 19 5.660 1.946 4.564 143 HD13 LEU 19 3HD1 LEU 19 7.002 1.712 5.684 144 HD21 LEU 19 1HD2 LEU 19 7.177 3.478 1.904 145 HD22 LEU 19 2HD2 LEU 19 6.230 2.029 2.242 146 HD23 LEU 19 3HD2 LEU 19 7.944 1.892 1.843 147 H ARG 20 H ARG 20 9.967 4.406 5.062 148 HA ARG 20 HA ARG 20 10.348 7.132 6.100 149 HB2 ARG 20 1HB ARG 20 12.744 6.358 6.620 150 HB3 ARG 20 2HB ARG 20 11.464 5.860 7.718 151 HG2 ARG 20 1HG ARG 20 11.420 3.662 6.786 152 HG3 ARG 20 2HG ARG 20 12.525 4.138 5.493 153 HD2 ARG 20 1HD ARG 20 14.340 4.338 6.973 154 HD3 ARG 20 2HD ARG 20 13.290 4.339 8.388 155 HE ARG 20 HE ARG 20 12.952 1.906 7.059 156 HH11 ARG 20 1HH1 ARG 20 15.413 3.637 8.813 157 HH12 ARG 20 2HH1 ARG 20 16.202 2.201 9.379 158 HH21 ARG 20 1HH2 ARG 20 13.981 0.010 7.798 159 HH22 ARG 20 2HH2 ARG 20 15.387 0.140 8.801 160 H CYS 21 H CYS 21 10.307 8.187 4.245 161 HA CYS 21 HA CYS 21 11.611 7.278 1.841 162 HB2 CYS 21 1HB CYS 21 9.560 8.773 2.073 163 HB3 CYS 21 2HB CYS 21 10.651 10.090 2.491 164 H LYS 22 H LYS 22 13.091 9.315 0.837 165 HA LYS 22 HA LYS 22 15.229 10.089 0.734 166 HB2 LYS 22 1HB LYS 22 14.439 10.805 3.196 167 HB3 LYS 22 2HB LYS 22 15.731 9.697 3.638 168 HG2 LYS 22 1HG LYS 22 17.355 11.076 2.898 169 HG3 LYS 22 2HG LYS 22 16.382 11.683 1.556 170 HD2 LYS 22 1HD LYS 22 15.366 13.298 2.849 171 HD3 LYS 22 2HD LYS 22 15.615 12.403 4.349 172 HE2 LYS 22 1HE LYS 22 18.177 12.875 3.544 173 HE3 LYS 22 2HE LYS 22 17.353 14.330 2.985 174 HZ1 LYS 22 1HZ LYS 22 18.305 14.109 5.421 175 HZ2 LYS 22 2HZ LYS 22 16.784 13.428 5.702 176 HZ3 LYS 22 3HZ LYS 22 16.906 14.999 5.088 177 H LEU 23 H LEU 23 16.727 8.854 -0.169 178 HA LEU 23 HA LEU 23 18.395 7.308 -0.393 179 HB2 LEU 23 1HB LEU 23 18.339 7.688 2.296 180 HB3 LEU 23 2HB LEU 23 17.961 5.970 2.187 181 HG LEU 23 HG LEU 23 20.380 7.193 0.876 182 HD11 LEU 23 1HD1 LEU 23 20.072 7.310 3.523 183 HD12 LEU 23 2HD1 LEU 23 21.626 6.983 2.756 184 HD13 LEU 23 3HD1 LEU 23 20.655 5.652 3.386 185 HD21 LEU 23 1HD2 LEU 23 20.946 5.099 0.285 186 HD22 LEU 23 2HD2 LEU 23 19.224 4.773 0.481 187 HD23 LEU 23 3HD2 LEU 23 20.348 4.400 1.790 188 H TRP 24 H TRP 24 15.585 6.065 1.395 189 HA TRP 24 HA TRP 24 14.695 4.396 -0.659 190 HB2 TRP 24 1HB TRP 24 15.614 2.340 -0.311 191 HB3 TRP 24 2HB TRP 24 16.954 3.304 0.302 192 HD1 TRP 24 HD1 TRP 24 14.005 1.167 1.547 193 HE1 TRP 24 HE1 TRP 24 14.511 0.418 3.957 194 HE3 TRP 24 HE3 TRP 24 18.281 3.851 2.353 195 HZ2 TRP 24 HZ2 TRP 24 16.461 0.901 5.939 196 HZ3 TRP 24 HZ3 TRP 24 19.405 3.653 4.533 197 HH2 TRP 24 HH2 TRP 24 18.512 2.205 6.288 198 H CYS 25 H CYS 25 12.766 3.301 -0.165 199 HA CYS 25 HA CYS 25 11.735 4.088 2.510 200 HB2 CYS 25 1HB CYS 25 10.972 4.912 0.010 201 HB3 CYS 25 2HB CYS 25 9.826 3.635 0.444 202 H ARG 26 H ARG 26 10.660 2.812 3.795 203 HA ARG 26 HA ARG 26 9.936 0.181 3.208 204 HB2 ARG 26 1HB ARG 26 12.728 0.487 3.326 205 HB3 ARG 26 2HB ARG 26 12.268 -0.272 4.842 206 HG2 ARG 26 1HG ARG 26 11.211 -1.339 2.263 207 HG3 ARG 26 2HG ARG 26 12.847 -1.740 2.787 208 HD2 ARG 26 1HD ARG 26 10.559 -2.063 4.680 209 HD3 ARG 26 2HD ARG 26 10.847 -3.282 3.439 210 HE ARG 26 HE ARG 26 12.320 -2.924 5.833 211 HH11 ARG 26 1HH1 ARG 26 12.676 -3.786 2.478 212 HH12 ARG 26 2HH1 ARG 26 14.085 -4.760 2.743 213 HH21 ARG 26 1HH2 ARG 26 14.175 -4.203 6.194 214 HH22 ARG 26 2HH2 ARG 26 14.936 -4.997 4.857 215 H LYS 27 H LYS 27 9.061 -0.886 4.989 216 HA LYS 27 HA LYS 27 7.997 0.629 7.025 217 HB2 LYS 27 1HB LYS 27 8.218 -2.205 6.405 218 HB3 LYS 27 2HB LYS 27 8.214 -1.909 8.138 219 HG2 LYS 27 1HG LYS 27 6.160 -0.403 7.601 220 HG3 LYS 27 2HG LYS 27 6.090 -1.359 6.118 221 HD2 LYS 27 1HD LYS 27 6.178 -3.410 7.625 222 HD3 LYS 27 2HD LYS 27 5.860 -2.307 8.965 223 HE2 LYS 27 1HE LYS 27 3.700 -2.694 8.504 224 HE3 LYS 27 2HE LYS 27 3.945 -1.567 7.171 225 HZ1 LYS 27 1HZ LYS 27 3.323 -3.221 5.851 226 HZ2 LYS 27 2HZ LYS 27 3.407 -4.366 7.093 227 HZ3 LYS 27 3HZ LYS 27 4.794 -3.981 6.202 228 H GLU 28 H GLU 28 8.424 0.765 9.287 229 HA GLU 28 HA GLU 28 11.273 0.881 9.867 230 HB2 GLU 28 1HB GLU 28 9.630 2.751 10.400 231 HB3 GLU 28 2HB GLU 28 9.017 1.717 11.683 232 HG2 GLU 28 1HG GLU 28 11.654 1.651 12.231 233 HG3 GLU 28 2HG GLU 28 11.511 3.261 11.525 234 H ILE 29 H ILE 29 11.127 -1.605 9.731 235 HA ILE 29 HA ILE 29 10.606 -2.640 12.441 236 HB ILE 29 HB ILE 29 10.069 -4.808 11.498 237 HG12 ILE 29 1HG1 ILE 29 9.693 -4.131 8.741 238 HG13 ILE 29 2HG1 ILE 29 11.353 -3.760 9.191 239 HG21 ILE 29 1HG2 ILE 29 8.381 -2.830 11.668 240 HG22 ILE 29 2HG2 ILE 29 8.388 -2.923 9.907 241 HG23 ILE 29 3HG2 ILE 29 7.906 -4.324 10.864 242 HD11 ILE 29 1HD1 ILE 29 11.538 -6.073 10.101 243 HD12 ILE 29 2HD1 ILE 29 9.947 -6.406 9.415 244 HD13 ILE 29 3HD1 ILE 29 11.292 -5.981 8.356 245 HXT ILE 29 HXT ILE 29 12.381 -3.476 9.655 Start of MODEL 5 1 H1 TYR 1 1H TYR 1 1.328 6.770 -2.177 2 H2 TYR 1 2H TYR 1 0.947 6.077 -3.567 3 H3 TYR 1 3H TYR 1 -0.220 6.685 -2.572 4 HA TYR 1 HA TYR 1 0.177 4.963 -1.019 5 HB2 TYR 1 1HB TYR 1 -0.543 4.178 -3.849 6 HB3 TYR 1 2HB TYR 1 -0.849 3.178 -2.433 7 HD1 TYR 1 HD1 TYR 1 -2.367 5.322 -4.648 8 HD2 TYR 1 HD2 TYR 1 -2.068 4.632 -0.460 9 HE1 TYR 1 HE1 TYR 1 -4.518 6.469 -4.311 10 HE2 TYR 1 HE2 TYR 1 -4.217 5.774 -0.112 11 HH TYR 1 HH TYR 1 -6.082 6.553 -1.162 12 H CYS 2 H CYS 2 2.385 4.718 -0.466 13 HA CYS 2 HA CYS 2 4.351 3.587 -0.313 14 HB2 CYS 2 1HB CYS 2 3.066 1.546 -2.137 15 HB3 CYS 2 2HB CYS 2 4.409 1.283 -1.028 16 H GLN 3 H GLN 3 6.115 2.467 -1.770 17 HA GLN 3 HA GLN 3 6.195 3.783 -4.393 18 HB2 GLN 3 1HB GLN 3 8.431 4.566 -4.047 19 HB3 GLN 3 2HB GLN 3 7.454 5.121 -2.693 20 HG2 GLN 3 1HG GLN 3 9.414 2.842 -2.715 21 HG3 GLN 3 2HG GLN 3 9.557 4.375 -1.856 22 HE21 GLN 3 1HE2 GLN 3 9.187 1.307 -1.255 23 HE22 GLN 3 2HE2 GLN 3 8.095 1.334 0.084 24 H LYS 4 H LYS 4 5.510 1.202 -4.230 25 HA LYS 4 HA LYS 4 6.024 -0.768 -5.276 26 HB2 LYS 4 1HB LYS 4 7.902 0.933 -6.331 27 HB3 LYS 4 2HB LYS 4 8.905 -0.312 -5.596 28 HG2 LYS 4 1HG LYS 4 6.667 -1.363 -7.154 29 HG3 LYS 4 2HG LYS 4 7.827 -0.425 -8.095 30 HD2 LYS 4 1HD LYS 4 9.431 -1.988 -7.897 31 HD3 LYS 4 2HD LYS 4 9.046 -2.307 -6.204 32 HE2 LYS 4 1HE LYS 4 8.522 -4.306 -7.290 33 HE3 LYS 4 2HE LYS 4 6.964 -3.500 -7.109 34 HZ1 LYS 4 1HZ LYS 4 7.573 -4.528 -9.367 35 HZ2 LYS 4 2HZ LYS 4 8.543 -3.156 -9.575 36 HZ3 LYS 4 3HZ LYS 4 6.875 -2.987 -9.346 37 H TRP 5 H TRP 5 7.645 0.496 -2.581 38 HA TRP 5 HA TRP 5 8.367 -0.482 -0.653 39 HB2 TRP 5 1HB TRP 5 6.465 -2.116 -1.197 40 HB3 TRP 5 2HB TRP 5 7.718 -3.181 -1.831 41 HD1 TRP 5 HD1 TRP 5 7.535 -1.131 1.473 42 HE1 TRP 5 HE1 TRP 5 8.074 -2.731 3.417 43 HE3 TRP 5 HE3 TRP 5 8.134 -5.460 -1.179 44 HZ2 TRP 5 HZ2 TRP 5 8.675 -5.464 3.779 45 HZ3 TRP 5 HZ3 TRP 5 8.689 -7.523 0.042 46 HH2 TRP 5 HH2 TRP 5 8.954 -7.523 2.469 47 H NLE 6 H NLE 6 10.319 -0.799 -0.026 48 HA NLE 6 HA NLE 6 12.701 -1.280 -0.069 49 HB2 NLE 6 1HB NLE 6 11.419 -3.509 -1.439 50 HB3 NLE 6 2HB NLE 6 12.951 -3.156 -2.233 51 HG2 NLE 6 1HG NLE 6 13.196 -3.113 0.758 52 HG3 NLE 6 2HG NLE 6 12.573 -4.653 0.179 53 HD2 NLE 6 1HD NLE 6 14.729 -5.259 -0.303 54 HD3 NLE 6 2HD NLE 6 14.724 -4.086 -1.626 55 HE1 NLE 6 1HE NLE 6 15.466 -3.511 1.199 56 HE2 NLE 6 2HE NLE 6 16.505 -3.668 -0.096 57 HE3 NLE 6 3HE NLE 6 15.446 -2.382 -0.038 58 H TRP 7 H TRP 7 11.004 0.409 -2.312 59 HA TRP 7 HA TRP 7 13.375 1.028 -3.950 60 HB2 TRP 7 1HB TRP 7 11.753 0.348 -5.484 61 HB3 TRP 7 2HB TRP 7 10.441 1.081 -4.569 62 HD1 TRP 7 HD1 TRP 7 9.741 3.502 -5.211 63 HE1 TRP 7 HE1 TRP 7 10.548 5.199 -6.971 64 HE3 TRP 7 HE3 TRP 7 14.015 1.137 -6.721 65 HZ2 TRP 7 HZ2 TRP 7 12.709 5.495 -8.764 66 HZ3 TRP 7 HZ3 TRP 7 15.395 2.194 -8.464 67 HH2 TRP 7 HH2 TRP 7 14.753 4.327 -9.461 68 H THR 8 H THR 8 13.818 3.234 -4.419 69 HA THR 8 HA THR 8 13.326 4.981 -2.201 70 HB THR 8 HB THR 8 14.702 6.611 -3.420 71 HG1 THR 8 HG1 THR 8 14.338 6.363 -5.539 72 HG21 THR 8 1HG2 THR 8 15.577 4.379 -2.243 73 HG22 THR 8 2HG2 THR 8 16.668 5.541 -3.000 74 HG23 THR 8 3HG2 THR 8 16.185 4.085 -3.870 75 H CYS 9 H CYS 9 11.404 5.767 -2.010 76 HA CYS 9 HA CYS 9 9.268 6.450 -3.331 77 HB2 CYS 9 1HB CYS 9 9.055 8.167 -1.575 78 HB3 CYS 9 2HB CYS 9 9.793 6.634 -1.066 79 H ASP 10 H ASP 10 9.739 7.375 -5.802 80 HA ASP 10 HA ASP 10 9.873 10.132 -5.799 81 HB2 ASP 10 1HB ASP 10 12.066 10.174 -4.945 82 HB3 ASP 10 2HB ASP 10 12.572 8.808 -5.937 83 H SER 11 H SER 11 11.979 8.102 -7.793 84 HA SER 11 HA SER 11 10.876 9.054 -10.215 85 HB2 SER 11 1HB SER 11 13.133 7.606 -9.483 86 HB3 SER 11 2HB SER 11 12.202 6.472 -10.461 87 HG SER 11 HG SER 11 13.248 7.557 -11.981 88 H LYS 12 H LYS 12 9.739 6.781 -8.013 89 HA LYS 12 HA LYS 12 8.067 5.487 -10.065 90 HB2 LYS 12 1HB LYS 12 9.591 4.027 -8.659 91 HB3 LYS 12 2HB LYS 12 8.593 4.458 -7.275 92 HG2 LYS 12 1HG LYS 12 7.305 2.728 -7.779 93 HG3 LYS 12 2HG LYS 12 6.785 3.616 -9.215 94 HD2 LYS 12 1HD LYS 12 7.557 1.411 -9.846 95 HD3 LYS 12 2HD LYS 12 8.668 2.632 -10.470 96 HE2 LYS 12 1HE LYS 12 10.293 2.131 -8.850 97 HE3 LYS 12 2HE LYS 12 9.145 1.246 -7.848 98 HZ1 LYS 12 1HZ LYS 12 10.473 0.393 -10.332 99 HZ2 LYS 12 2HZ LYS 12 8.991 -0.292 -9.896 100 HZ3 LYS 12 3HZ LYS 12 10.324 -0.431 -8.863 101 H ARG 13 H ARG 13 7.990 6.649 -6.697 102 HA ARG 13 HA ARG 13 5.744 8.221 -6.899 103 HB2 ARG 13 1HB ARG 13 4.082 6.628 -5.717 104 HB3 ARG 13 2HB ARG 13 4.300 6.482 -7.457 105 HG2 ARG 13 1HG ARG 13 6.200 4.779 -6.305 106 HG3 ARG 13 2HG ARG 13 4.705 4.529 -5.403 107 HD2 ARG 13 1HD ARG 13 4.484 4.677 -8.351 108 HD3 ARG 13 2HD ARG 13 5.270 3.247 -7.684 109 HE ARG 13 HE ARG 13 2.846 3.752 -6.323 110 HH11 ARG 13 1HH1 ARG 13 4.081 2.584 -9.362 111 HH12 ARG 13 2HH1 ARG 13 2.708 1.578 -9.683 112 HH21 ARG 13 1HH2 ARG 13 1.032 2.431 -6.734 113 HH22 ARG 13 2HH2 ARG 13 0.973 1.492 -8.187 114 H ALA 14 H ALA 14 4.846 8.855 -4.800 115 HA ALA 14 HA ALA 14 6.784 9.272 -2.865 116 HB1 ALA 14 1HB ALA 14 4.896 10.695 -2.897 117 HB2 ALA 14 2HB ALA 14 3.783 9.344 -2.678 118 HB3 ALA 14 3HB ALA 14 4.841 9.836 -1.357 119 H CYS 15 H CYS 15 6.487 8.638 -0.487 120 HA CYS 15 HA CYS 15 6.723 5.783 -0.212 121 HB2 CYS 15 1HB CYS 15 6.697 8.023 1.818 122 HB3 CYS 15 2HB CYS 15 6.920 6.330 2.270 123 H CYS 16 H CYS 16 5.611 4.601 1.571 124 HA CYS 16 HA CYS 16 2.754 5.141 1.482 125 HB2 CYS 16 1HB CYS 16 4.273 2.811 1.559 126 HB3 CYS 16 2HB CYS 16 3.572 2.915 3.171 127 H GLU 17 H GLU 17 1.737 4.315 3.855 128 HA GLU 17 HA GLU 17 2.460 6.501 5.695 129 HB2 GLU 17 1HB GLU 17 0.391 4.276 5.881 130 HB3 GLU 17 2HB GLU 17 0.594 5.573 7.060 131 HG2 GLU 17 1HG GLU 17 -0.150 5.959 4.125 132 HG3 GLU 17 2HG GLU 17 -1.269 5.979 5.481 133 H GLY 18 H GLY 18 4.424 6.141 6.595 134 HA2 GLY 18 1HA GLY 18 5.234 5.268 8.776 135 HA3 GLY 18 2HA GLY 18 4.809 3.673 8.172 136 H LEU 19 H LEU 19 5.804 3.956 5.542 137 HA LEU 19 HA LEU 19 8.398 3.075 5.791 138 HB2 LEU 19 1HB LEU 19 6.766 4.171 3.585 139 HB3 LEU 19 2HB LEU 19 8.510 4.148 3.329 140 HG LEU 19 HG LEU 19 8.586 1.892 3.119 141 HD11 LEU 19 1HD1 LEU 19 6.344 1.829 5.114 142 HD12 LEU 19 2HD1 LEU 19 7.988 1.212 5.277 143 HD13 LEU 19 3HD1 LEU 19 6.841 0.391 4.221 144 HD21 LEU 19 1HD2 LEU 19 5.661 1.861 2.620 145 HD22 LEU 19 2HD2 LEU 19 6.989 1.258 1.628 146 HD23 LEU 19 3HD2 LEU 19 6.644 2.985 1.680 147 H ARG 20 H ARG 20 10.406 4.116 4.943 148 HA ARG 20 HA ARG 20 10.542 6.923 5.831 149 HB2 ARG 20 1HB ARG 20 12.951 6.427 6.338 150 HB3 ARG 20 2HB ARG 20 11.797 5.567 7.347 151 HG2 ARG 20 1HG ARG 20 12.334 3.930 5.110 152 HG3 ARG 20 2HG ARG 20 13.880 4.520 5.721 153 HD2 ARG 20 1HD ARG 20 12.774 3.874 8.043 154 HD3 ARG 20 2HD ARG 20 11.856 2.773 7.017 155 HE ARG 20 HE ARG 20 13.739 1.502 6.762 156 HH11 ARG 20 1HH1 ARG 20 14.639 4.632 7.988 157 HH12 ARG 20 2HH1 ARG 20 16.294 4.195 8.262 158 HH21 ARG 20 1HH2 ARG 20 15.915 0.914 7.114 159 HH22 ARG 20 2HH2 ARG 20 17.019 2.079 7.763 160 H CYS 21 H CYS 21 10.568 8.189 4.152 161 HA CYS 21 HA CYS 21 11.383 7.452 1.533 162 HB2 CYS 21 1HB CYS 21 9.810 9.341 2.365 163 HB3 CYS 21 2HB CYS 21 11.260 10.294 2.550 164 H LYS 22 H LYS 22 12.949 9.531 0.633 165 HA LYS 22 HA LYS 22 15.075 10.369 0.542 166 HB2 LYS 22 1HB LYS 22 15.653 9.058 3.194 167 HB3 LYS 22 2HB LYS 22 16.456 10.445 2.471 168 HG2 LYS 22 1HG LYS 22 13.984 11.436 2.634 169 HG3 LYS 22 2HG LYS 22 13.918 10.289 3.973 170 HD2 LYS 22 1HD LYS 22 16.191 11.347 4.652 171 HD3 LYS 22 2HD LYS 22 15.688 12.676 3.607 172 HE2 LYS 22 1HE LYS 22 13.543 12.749 4.921 173 HE3 LYS 22 2HE LYS 22 14.281 11.614 6.048 174 HZ1 LYS 22 1HZ LYS 22 16.169 13.418 6.028 175 HZ2 LYS 22 2HZ LYS 22 14.821 13.573 7.039 176 HZ3 LYS 22 3HZ LYS 22 14.893 14.438 5.586 177 H LEU 23 H LEU 23 17.121 8.563 2.172 178 HA LEU 23 HA LEU 23 18.477 7.350 0.239 179 HB2 LEU 23 1HB LEU 23 17.833 5.884 2.788 180 HB3 LEU 23 2HB LEU 23 19.278 5.715 1.793 181 HG LEU 23 HG LEU 23 19.034 8.434 2.652 182 HD11 LEU 23 1HD1 LEU 23 19.254 6.556 4.973 183 HD12 LEU 23 2HD1 LEU 23 17.694 7.205 4.472 184 HD13 LEU 23 3HD1 LEU 23 18.984 8.299 4.971 185 HD21 LEU 23 1HD2 LEU 23 21.258 8.108 3.375 186 HD22 LEU 23 2HD2 LEU 23 21.064 7.099 1.940 187 HD23 LEU 23 3HD2 LEU 23 21.028 6.368 3.545 188 H TRP 24 H TRP 24 15.695 5.806 1.833 189 HA TRP 24 HA TRP 24 14.654 4.675 -0.500 190 HB2 TRP 24 1HB TRP 24 15.451 2.518 -0.615 191 HB3 TRP 24 2HB TRP 24 16.896 3.349 -0.044 192 HD1 TRP 24 HD1 TRP 24 14.233 0.863 1.073 193 HE1 TRP 24 HE1 TRP 24 14.980 -0.215 3.288 194 HE3 TRP 24 HE3 TRP 24 18.294 3.800 2.077 195 HZ2 TRP 24 HZ2 TRP 24 17.019 0.134 5.206 196 HZ3 TRP 24 HZ3 TRP 24 19.590 3.363 4.125 197 HH2 TRP 24 HH2 TRP 24 18.963 1.567 5.655 198 H CYS 25 H CYS 25 12.662 3.648 -0.154 199 HA CYS 25 HA CYS 25 11.621 3.963 2.593 200 HB2 CYS 25 1HB CYS 25 10.529 4.489 -0.021 201 HB3 CYS 25 2HB CYS 25 9.471 3.467 1.005 202 H ARG 26 H ARG 26 10.790 2.506 3.863 203 HA ARG 26 HA ARG 26 10.551 -0.226 3.190 204 HB2 ARG 26 1HB ARG 26 13.200 0.619 3.735 205 HB3 ARG 26 2HB ARG 26 12.660 -0.309 5.128 206 HG2 ARG 26 1HG ARG 26 12.672 -1.231 2.263 207 HG3 ARG 26 2HG ARG 26 13.769 -1.751 3.543 208 HD2 ARG 26 1HD ARG 26 10.786 -2.192 3.453 209 HD3 ARG 26 2HD ARG 26 12.031 -3.410 3.177 210 HE ARG 26 HE ARG 26 11.080 -2.473 5.699 211 HH11 ARG 26 1HH1 ARG 26 13.868 -3.734 4.039 212 HH12 ARG 26 2HH1 ARG 26 14.587 -4.393 5.472 213 HH21 ARG 26 1HH2 ARG 26 12.014 -3.337 7.592 214 HH22 ARG 26 2HH2 ARG 26 13.529 -4.168 7.492 215 H LYS 27 H LYS 27 9.675 -1.456 4.870 216 HA LYS 27 HA LYS 27 8.105 -0.137 6.731 217 HB2 LYS 27 1HB LYS 27 8.644 -2.838 6.002 218 HB3 LYS 27 2HB LYS 27 8.710 -2.729 7.757 219 HG2 LYS 27 1HG LYS 27 6.470 -1.497 7.570 220 HG3 LYS 27 2HG LYS 27 6.417 -2.135 5.925 221 HD2 LYS 27 1HD LYS 27 6.933 -4.410 7.091 222 HD3 LYS 27 2HD LYS 27 6.325 -3.594 8.533 223 HE2 LYS 27 1HE LYS 27 4.377 -4.490 7.746 224 HE3 LYS 27 2HE LYS 27 4.352 -2.938 6.909 225 HZ1 LYS 27 1HZ LYS 27 4.713 -3.900 4.919 226 HZ2 LYS 27 2HZ LYS 27 4.024 -5.250 5.670 227 HZ3 LYS 27 3HZ LYS 27 5.704 -5.122 5.543 228 H GLU 28 H GLU 28 8.252 0.239 8.941 229 HA GLU 28 HA GLU 28 10.997 0.249 9.994 230 HB2 GLU 28 1HB GLU 28 9.423 2.376 9.748 231 HB3 GLU 28 2HB GLU 28 8.805 1.802 11.292 232 HG2 GLU 28 1HG GLU 28 11.593 1.727 11.512 233 HG3 GLU 28 2HG GLU 28 11.211 3.250 10.711 234 H ILE 29 H ILE 29 11.287 -0.181 12.287 235 HA ILE 29 HA ILE 29 9.348 -2.169 13.267 236 HB ILE 29 HB ILE 29 11.217 -3.126 14.575 237 HG12 ILE 29 1HG1 ILE 29 13.256 -1.733 12.957 238 HG13 ILE 29 2HG1 ILE 29 12.468 -0.745 14.182 239 HG21 ILE 29 1HG2 ILE 29 10.619 -4.043 12.388 240 HG22 ILE 29 2HG2 ILE 29 11.757 -2.940 11.614 241 HG23 ILE 29 3HG2 ILE 29 12.347 -4.197 12.702 242 HD11 ILE 29 1HD1 ILE 29 13.052 -3.004 15.581 243 HD12 ILE 29 2HD1 ILE 29 14.415 -2.898 14.467 244 HD13 ILE 29 3HD1 ILE 29 14.043 -1.547 15.536 245 HXT ILE 29 HXT ILE 29 9.923 0.759 13.786 Start of MODEL 6 1 H1 TYR 1 1H TYR 1 0.109 6.867 -3.066 2 H2 TYR 1 2H TYR 1 0.979 6.984 -1.728 3 H3 TYR 1 3H TYR 1 1.607 6.308 -3.096 4 HA TYR 1 HA TYR 1 0.230 5.167 -0.963 5 HB2 TYR 1 1HB TYR 1 -0.860 4.991 -3.687 6 HB3 TYR 1 2HB TYR 1 -0.564 3.431 -2.927 7 HD1 TYR 1 HD1 TYR 1 -1.712 6.650 -1.435 8 HD2 TYR 1 HD2 TYR 1 -2.653 2.601 -2.338 9 HE1 TYR 1 HE1 TYR 1 -3.818 6.867 -0.182 10 HE2 TYR 1 HE2 TYR 1 -4.763 2.807 -1.092 11 HH TYR 1 HH TYR 1 -6.329 5.037 -0.480 12 H CYS 2 H CYS 2 2.477 4.872 -0.480 13 HA CYS 2 HA CYS 2 4.371 3.620 -0.347 14 HB2 CYS 2 1HB CYS 2 2.986 1.644 -2.165 15 HB3 CYS 2 2HB CYS 2 4.296 1.321 -1.034 16 H GLN 3 H GLN 3 6.150 2.602 -1.723 17 HA GLN 3 HA GLN 3 6.203 3.782 -4.414 18 HB2 GLN 3 1HB GLN 3 8.293 4.774 -4.104 19 HB3 GLN 3 2HB GLN 3 7.453 5.122 -2.599 20 HG2 GLN 3 1HG GLN 3 9.704 3.246 -3.122 21 HG3 GLN 3 2HG GLN 3 9.517 4.456 -1.853 22 HE21 GLN 3 1HE2 GLN 3 7.191 3.873 -0.698 23 HE22 GLN 3 2HE2 GLN 3 7.207 2.282 -0.022 24 H LYS 4 H LYS 4 5.558 1.261 -4.332 25 HA LYS 4 HA LYS 4 6.132 -0.729 -5.302 26 HB2 LYS 4 1HB LYS 4 7.926 0.851 -6.430 27 HB3 LYS 4 2HB LYS 4 9.034 -0.022 -5.382 28 HG2 LYS 4 1HG LYS 4 7.678 -2.085 -6.460 29 HG3 LYS 4 2HG LYS 4 7.595 -0.921 -7.783 30 HD2 LYS 4 1HD LYS 4 10.122 -0.628 -7.407 31 HD3 LYS 4 2HD LYS 4 10.017 -2.132 -6.488 32 HE2 LYS 4 1HE LYS 4 8.619 -2.581 -8.880 33 HE3 LYS 4 2HE LYS 4 10.095 -1.730 -9.335 34 HZ1 LYS 4 1HZ LYS 4 10.604 -4.013 -9.353 35 HZ2 LYS 4 2HZ LYS 4 9.858 -4.289 -7.860 36 HZ3 LYS 4 3HZ LYS 4 11.303 -3.410 -7.934 37 H TRP 5 H TRP 5 7.489 0.540 -2.490 38 HA TRP 5 HA TRP 5 8.100 -0.415 -0.515 39 HB2 TRP 5 1HB TRP 5 6.216 -2.007 -1.090 40 HB3 TRP 5 2HB TRP 5 7.439 -3.089 -1.754 41 HD1 TRP 5 HD1 TRP 5 7.309 -1.149 1.616 42 HE1 TRP 5 HE1 TRP 5 7.785 -2.830 3.506 43 HE3 TRP 5 HE3 TRP 5 7.772 -5.404 -1.180 44 HZ2 TRP 5 HZ2 TRP 5 8.290 -5.593 3.776 45 HZ3 TRP 5 HZ3 TRP 5 8.253 -7.525 -0.028 46 HH2 TRP 5 HH2 TRP 5 8.505 -7.616 2.398 47 H NLE 6 H NLE 6 9.988 -0.791 0.275 48 HA NLE 6 HA NLE 6 12.372 -1.211 0.378 49 HB2 NLE 6 1HB NLE 6 11.654 -3.550 0.175 50 HB3 NLE 6 2HB NLE 6 11.600 -3.444 -1.583 51 HG2 NLE 6 1HG NLE 6 14.256 -2.678 -0.310 52 HG3 NLE 6 2HG NLE 6 13.794 -4.366 -0.117 53 HD2 NLE 6 1HD NLE 6 14.044 -4.856 -2.395 54 HD3 NLE 6 2HD NLE 6 13.457 -3.274 -2.927 55 HE1 NLE 6 1HE NLE 6 16.114 -3.816 -1.700 56 HE2 NLE 6 2HE NLE 6 15.798 -3.511 -3.309 57 HE3 NLE 6 3HE NLE 6 15.566 -2.305 -2.181 58 H TRP 7 H TRP 7 10.890 0.403 -1.991 59 HA TRP 7 HA TRP 7 13.324 0.771 -3.610 60 HB2 TRP 7 1HB TRP 7 11.690 0.076 -5.131 61 HB3 TRP 7 2HB TRP 7 10.411 0.970 -4.313 62 HD1 TRP 7 HD1 TRP 7 9.875 3.344 -5.203 63 HE1 TRP 7 HE1 TRP 7 10.864 4.853 -7.039 64 HE3 TRP 7 HE3 TRP 7 14.084 0.652 -6.287 65 HZ2 TRP 7 HZ2 TRP 7 13.127 4.896 -8.723 66 HZ3 TRP 7 HZ3 TRP 7 15.608 1.496 -8.025 67 HH2 TRP 7 HH2 TRP 7 15.138 3.574 -9.217 68 H THR 8 H THR 8 13.826 2.942 -4.281 69 HA THR 8 HA THR 8 13.465 4.837 -2.162 70 HB THR 8 HB THR 8 14.889 6.322 -3.464 71 HG1 THR 8 HG1 THR 8 15.492 5.792 -5.560 72 HG21 THR 8 1HG2 THR 8 15.692 4.038 -2.319 73 HG22 THR 8 2HG2 THR 8 16.806 5.144 -3.124 74 HG23 THR 8 3HG2 THR 8 16.209 3.718 -3.974 75 H CYS 9 H CYS 9 11.586 5.733 -1.940 76 HA CYS 9 HA CYS 9 9.462 6.328 -3.470 77 HB2 CYS 9 1HB CYS 9 9.151 8.214 -1.756 78 HB3 CYS 9 2HB CYS 9 9.421 6.597 -1.147 79 H ASP 10 H ASP 10 9.988 7.185 -5.802 80 HA ASP 10 HA ASP 10 10.141 9.937 -5.924 81 HB2 ASP 10 1HB ASP 10 12.298 10.045 -5.017 82 HB3 ASP 10 2HB ASP 10 12.831 8.601 -5.874 83 H SER 11 H SER 11 12.256 7.732 -7.727 84 HA SER 11 HA SER 11 11.335 8.606 -10.242 85 HB2 SER 11 1HB SER 11 13.367 6.892 -9.267 86 HB3 SER 11 2HB SER 11 12.424 5.954 -10.426 87 HG SER 11 HG SER 11 12.787 7.567 -11.960 88 H LYS 12 H LYS 12 9.945 6.514 -7.986 89 HA LYS 12 HA LYS 12 8.225 5.302 -10.049 90 HB2 LYS 12 1HB LYS 12 9.039 4.312 -7.321 91 HB3 LYS 12 2HB LYS 12 7.689 3.621 -8.209 92 HG2 LYS 12 1HG LYS 12 10.299 3.824 -9.601 93 HG3 LYS 12 2HG LYS 12 10.123 2.605 -8.337 94 HD2 LYS 12 1HD LYS 12 8.106 2.896 -10.544 95 HD3 LYS 12 2HD LYS 12 9.565 1.921 -10.745 96 HE2 LYS 12 1HE LYS 12 8.927 0.587 -8.787 97 HE3 LYS 12 2HE LYS 12 7.468 1.557 -8.605 98 HZ1 LYS 12 1HZ LYS 12 8.126 -0.093 -10.985 99 HZ2 LYS 12 2HZ LYS 12 6.698 0.780 -10.737 100 HZ3 LYS 12 3HZ LYS 12 7.059 -0.549 -9.755 101 H ARG 13 H ARG 13 8.193 6.566 -6.721 102 HA ARG 13 HA ARG 13 6.025 8.255 -7.033 103 HB2 ARG 13 1HB ARG 13 4.344 6.779 -5.673 104 HB3 ARG 13 2HB ARG 13 4.459 6.603 -7.418 105 HG2 ARG 13 1HG ARG 13 6.341 4.852 -6.175 106 HG3 ARG 13 2HG ARG 13 4.749 4.619 -5.449 107 HD2 ARG 13 1HD ARG 13 4.474 4.873 -8.285 108 HD3 ARG 13 2HD ARG 13 5.696 3.654 -7.924 109 HE ARG 13 HE ARG 13 3.519 3.147 -6.275 110 HH11 ARG 13 1HH1 ARG 13 4.243 3.195 -9.680 111 HH12 ARG 13 2HH1 ARG 13 3.072 1.982 -10.078 112 HH21 ARG 13 1HH2 ARG 13 1.975 1.550 -6.788 113 HH22 ARG 13 2HH2 ARG 13 1.781 1.048 -8.432 114 H ALA 14 H ALA 14 4.801 8.426 -4.708 115 HA ALA 14 HA ALA 14 6.909 9.114 -2.885 116 HB1 ALA 14 1HB ALA 14 4.471 10.159 -3.344 117 HB2 ALA 14 2HB ALA 14 4.126 9.181 -1.918 118 HB3 ALA 14 3HB ALA 14 5.383 10.417 -1.858 119 H CYS 15 H CYS 15 6.598 8.541 -0.492 120 HA CYS 15 HA CYS 15 6.710 5.675 -0.277 121 HB2 CYS 15 1HB CYS 15 7.502 7.975 1.338 122 HB3 CYS 15 2HB CYS 15 6.812 6.676 2.305 123 H CYS 16 H CYS 16 5.587 4.587 1.609 124 HA CYS 16 HA CYS 16 2.745 5.177 1.412 125 HB2 CYS 16 1HB CYS 16 4.196 2.821 1.513 126 HB3 CYS 16 2HB CYS 16 3.497 2.932 3.126 127 H GLU 17 H GLU 17 1.654 4.330 3.740 128 HA GLU 17 HA GLU 17 2.266 6.535 5.585 129 HB2 GLU 17 1HB GLU 17 0.202 4.299 5.693 130 HB3 GLU 17 2HB GLU 17 0.388 5.568 6.902 131 HG2 GLU 17 1HG GLU 17 -1.398 6.230 5.477 132 HG3 GLU 17 2HG GLU 17 -0.037 7.300 5.162 133 H GLY 18 H GLY 18 3.708 6.384 7.164 134 HA2 GLY 18 1HA GLY 18 4.639 5.477 9.137 135 HA3 GLY 18 2HA GLY 18 4.156 3.875 8.599 136 H LEU 19 H LEU 19 5.294 4.352 5.902 137 HA LEU 19 HA LEU 19 7.790 3.179 6.260 138 HB2 LEU 19 1HB LEU 19 6.258 4.293 4.054 139 HB3 LEU 19 2HB LEU 19 7.997 4.496 3.841 140 HG LEU 19 HG LEU 19 8.354 2.138 3.902 141 HD11 LEU 19 1HD1 LEU 19 6.563 0.535 4.270 142 HD12 LEU 19 2HD1 LEU 19 5.422 1.852 4.543 143 HD13 LEU 19 3HD1 LEU 19 6.755 1.592 5.668 144 HD21 LEU 19 1HD2 LEU 19 5.909 2.121 2.250 145 HD22 LEU 19 2HD2 LEU 19 7.567 1.689 1.833 146 HD23 LEU 19 3HD2 LEU 19 7.084 3.383 1.887 147 H ARG 20 H ARG 20 9.786 4.326 5.042 148 HA ARG 20 HA ARG 20 10.113 7.026 6.148 149 HB2 ARG 20 1HB ARG 20 12.447 6.370 6.829 150 HB3 ARG 20 2HB ARG 20 11.160 5.643 7.783 151 HG2 ARG 20 1HG ARG 20 11.695 3.876 5.655 152 HG3 ARG 20 2HG ARG 20 13.251 4.375 6.323 153 HD2 ARG 20 1HD ARG 20 10.941 3.336 7.957 154 HD3 ARG 20 2HD ARG 20 12.293 2.350 7.401 155 HE ARG 20 HE ARG 20 12.279 4.131 9.624 156 HH11 ARG 20 1HH1 ARG 20 14.296 2.812 7.113 157 HH12 ARG 20 2HH1 ARG 20 15.765 3.016 8.005 158 HH21 ARG 20 1HH2 ARG 20 14.207 4.405 10.810 159 HH22 ARG 20 2HH2 ARG 20 15.714 3.921 10.110 160 H CYS 21 H CYS 21 10.066 8.038 4.229 161 HA CYS 21 HA CYS 21 11.442 7.207 1.848 162 HB2 CYS 21 1HB CYS 21 9.450 8.749 2.062 163 HB3 CYS 21 2HB CYS 21 10.523 9.992 2.670 164 H LYS 22 H LYS 22 12.991 9.266 0.984 165 HA LYS 22 HA LYS 22 15.134 10.028 0.938 166 HB2 LYS 22 1HB LYS 22 14.308 10.736 3.374 167 HB3 LYS 22 2HB LYS 22 15.538 9.574 3.854 168 HG2 LYS 22 1HG LYS 22 16.287 11.621 1.844 169 HG3 LYS 22 2HG LYS 22 16.074 12.142 3.517 170 HD2 LYS 22 1HD LYS 22 17.692 10.484 4.258 171 HD3 LYS 22 2HD LYS 22 17.870 9.893 2.605 172 HE2 LYS 22 1HE LYS 22 19.490 11.382 2.299 173 HE3 LYS 22 2HE LYS 22 18.300 12.667 2.502 174 HZ1 LYS 22 1HZ LYS 22 19.235 11.528 4.979 175 HZ2 LYS 22 2HZ LYS 22 19.063 13.151 4.529 176 HZ3 LYS 22 3HZ LYS 22 20.449 12.292 4.082 177 H LEU 23 H LEU 23 16.624 8.791 0.029 178 HA LEU 23 HA LEU 23 18.289 7.239 -0.195 179 HB2 LEU 23 1HB LEU 23 18.137 7.554 2.527 180 HB3 LEU 23 2HB LEU 23 17.874 5.822 2.325 181 HG LEU 23 HG LEU 23 20.043 6.060 0.806 182 HD11 LEU 23 1HD1 LEU 23 21.615 7.644 1.827 183 HD12 LEU 23 2HD1 LEU 23 20.309 8.289 2.818 184 HD13 LEU 23 3HD1 LEU 23 20.253 8.462 1.064 185 HD21 LEU 23 1HD2 LEU 23 19.531 5.426 3.604 186 HD22 LEU 23 2HD2 LEU 23 21.200 5.905 3.292 187 HD23 LEU 23 3HD2 LEU 23 20.487 4.561 2.400 188 H TRP 24 H TRP 24 15.459 5.983 1.554 189 HA TRP 24 HA TRP 24 14.579 4.345 -0.531 190 HB2 TRP 24 1HB TRP 24 15.499 2.288 -0.214 191 HB3 TRP 24 2HB TRP 24 16.826 3.234 0.456 192 HD1 TRP 24 HD1 TRP 24 13.850 1.070 1.574 193 HE1 TRP 24 HE1 TRP 24 14.290 0.265 3.978 194 HE3 TRP 24 HE3 TRP 24 18.095 3.742 2.556 195 HZ2 TRP 24 HZ2 TRP 24 16.187 0.706 6.023 196 HZ3 TRP 24 HZ3 TRP 24 19.160 3.495 4.761 197 HH2 TRP 24 HH2 TRP 24 18.222 2.008 6.456 198 H CYS 25 H CYS 25 12.577 3.501 -0.097 199 HA CYS 25 HA CYS 25 11.458 4.183 2.518 200 HB2 CYS 25 1HB CYS 25 10.489 4.289 -0.166 201 HB3 CYS 25 2HB CYS 25 9.462 3.190 0.749 202 H ARG 26 H ARG 26 10.477 2.715 3.857 203 HA ARG 26 HA ARG 26 9.777 0.086 3.207 204 HB2 ARG 26 1HB ARG 26 12.517 0.330 3.296 205 HB3 ARG 26 2HB ARG 26 12.134 -0.221 4.921 206 HG2 ARG 26 1HG ARG 26 11.136 -1.598 2.443 207 HG3 ARG 26 2HG ARG 26 12.649 -2.019 3.249 208 HD2 ARG 26 1HD ARG 26 10.829 -1.978 5.314 209 HD3 ARG 26 2HD ARG 26 9.898 -2.651 3.976 210 HE ARG 26 HE ARG 26 11.932 -3.964 5.442 211 HH11 ARG 26 1HH1 ARG 26 10.648 -3.629 2.223 212 HH12 ARG 26 2HH1 ARG 26 11.169 -5.200 1.711 213 HH21 ARG 26 1HH2 ARG 26 12.624 -6.033 4.780 214 HH22 ARG 26 2HH2 ARG 26 12.292 -6.568 3.167 215 H LYS 27 H LYS 27 8.921 -1.059 4.979 216 HA LYS 27 HA LYS 27 7.682 0.398 6.949 217 HB2 LYS 27 1HB LYS 27 8.123 -2.418 6.384 218 HB3 LYS 27 2HB LYS 27 8.057 -2.107 8.113 219 HG2 LYS 27 1HG LYS 27 5.959 -1.098 6.220 220 HG3 LYS 27 2HG LYS 27 5.878 -2.693 6.973 221 HD2 LYS 27 1HD LYS 27 6.365 -1.169 9.140 222 HD3 LYS 27 2HD LYS 27 5.480 -0.012 8.145 223 HE2 LYS 27 1HE LYS 27 3.858 -2.073 7.822 224 HE3 LYS 27 2HE LYS 27 4.570 -2.575 9.355 225 HZ1 LYS 27 1HZ LYS 27 4.005 -0.134 10.021 226 HZ2 LYS 27 2HZ LYS 27 2.811 -1.330 10.069 227 HZ3 LYS 27 3HZ LYS 27 2.878 -0.252 8.765 228 H GLU 28 H GLU 28 7.993 0.493 9.262 229 HA GLU 28 HA GLU 28 10.490 1.442 10.029 230 HB2 GLU 28 1HB GLU 28 7.950 1.155 11.216 231 HB3 GLU 28 2HB GLU 28 9.088 0.376 12.307 232 HG2 GLU 28 1HG GLU 28 9.643 3.106 11.227 233 HG3 GLU 28 2HG GLU 28 8.566 2.882 12.605 234 H ILE 29 H ILE 29 12.305 0.281 9.978 235 HA ILE 29 HA ILE 29 12.307 -2.546 10.588 236 HB ILE 29 HB ILE 29 14.699 -0.793 10.044 237 HG12 ILE 29 1HG1 ILE 29 14.076 -2.291 7.751 238 HG13 ILE 29 2HG1 ILE 29 12.551 -1.592 8.283 239 HG21 ILE 29 1HG2 ILE 29 14.617 -3.354 10.935 240 HG22 ILE 29 2HG2 ILE 29 14.666 -3.599 9.189 241 HG23 ILE 29 3HG2 ILE 29 15.935 -2.667 9.985 242 HD11 ILE 29 1HD1 ILE 29 13.432 0.613 8.142 243 HD12 ILE 29 2HD1 ILE 29 15.064 0.004 7.865 244 HD13 ILE 29 3HD1 ILE 29 13.818 -0.222 6.638 245 HXT ILE 29 HXT ILE 29 15.005 -2.004 11.659 Start of MODEL 7 1 H1 TYR 1 1H TYR 1 -0.990 3.098 -2.219 2 H2 TYR 1 2H TYR 1 -0.609 3.918 -3.538 3 H3 TYR 1 3H TYR 1 0.486 2.925 -2.808 4 HA TYR 1 HA TYR 1 0.240 5.590 -2.623 5 HB2 TYR 1 1HB TYR 1 -0.818 4.099 -0.275 6 HB3 TYR 1 2HB TYR 1 0.255 5.458 0.047 7 HD1 TYR 1 HD1 TYR 1 -3.086 4.474 -0.628 8 HD2 TYR 1 HD2 TYR 1 -0.356 7.703 -1.103 9 HE1 TYR 1 HE1 TYR 1 -4.976 6.023 -0.911 10 HE2 TYR 1 HE2 TYR 1 -2.238 9.260 -1.387 11 HH TYR 1 HH TYR 1 -4.799 8.916 -2.233 12 H CYS 2 H CYS 2 1.490 2.521 -1.571 13 HA CYS 2 HA CYS 2 3.840 3.364 -0.298 14 HB2 CYS 2 1HB CYS 2 3.494 0.847 -1.938 15 HB3 CYS 2 2HB CYS 2 4.654 1.115 -0.640 16 H GLN 3 H GLN 3 5.950 2.161 -1.601 17 HA GLN 3 HA GLN 3 6.175 3.641 -4.133 18 HB2 GLN 3 1HB GLN 3 8.367 4.426 -3.561 19 HB3 GLN 3 2HB GLN 3 7.277 4.867 -2.253 20 HG2 GLN 3 1HG GLN 3 9.255 2.601 -2.278 21 HG3 GLN 3 2HG GLN 3 9.345 4.086 -1.333 22 HE21 GLN 3 1HE2 GLN 3 8.954 1.004 -0.897 23 HE22 GLN 3 2HE2 GLN 3 7.770 0.964 0.361 24 H LYS 4 H LYS 4 5.541 1.008 -4.131 25 HA LYS 4 HA LYS 4 6.161 -0.876 -5.275 26 HB2 LYS 4 1HB LYS 4 7.845 0.849 -6.352 27 HB3 LYS 4 2HB LYS 4 9.026 -0.035 -5.394 28 HG2 LYS 4 1HG LYS 4 7.362 -1.898 -6.774 29 HG3 LYS 4 2HG LYS 4 7.980 -0.704 -7.918 30 HD2 LYS 4 1HD LYS 4 10.258 -1.138 -7.146 31 HD3 LYS 4 2HD LYS 4 9.646 -2.316 -5.983 32 HE2 LYS 4 1HE LYS 4 9.100 -3.849 -7.626 33 HE3 LYS 4 2HE LYS 4 8.998 -2.618 -8.884 34 HZ1 LYS 4 1HZ LYS 4 11.615 -2.687 -7.846 35 HZ2 LYS 4 2HZ LYS 4 11.094 -3.006 -9.423 36 HZ3 LYS 4 3HZ LYS 4 11.159 -4.255 -8.285 37 H TRP 5 H TRP 5 7.602 0.268 -2.439 38 HA TRP 5 HA TRP 5 8.194 -0.845 -0.529 39 HB2 TRP 5 1HB TRP 5 6.585 -2.641 -1.525 40 HB3 TRP 5 2HB TRP 5 8.071 -3.491 -1.944 41 HD1 TRP 5 HD1 TRP 5 7.632 -1.550 1.348 42 HE1 TRP 5 HE1 TRP 5 7.781 -3.221 3.300 43 HE3 TRP 5 HE3 TRP 5 7.799 -5.905 -1.324 44 HZ2 TRP 5 HZ2 TRP 5 7.947 -6.016 3.659 45 HZ3 TRP 5 HZ3 TRP 5 7.953 -8.034 -0.100 46 HH2 TRP 5 HH2 TRP 5 8.026 -8.086 2.340 47 H NLE 6 H NLE 6 10.101 -1.054 0.278 48 HA NLE 6 HA NLE 6 12.517 -0.965 0.346 49 HB2 NLE 6 1HB NLE 6 12.099 -3.408 0.287 50 HB3 NLE 6 2HB NLE 6 12.163 -3.414 -1.473 51 HG2 NLE 6 1HG NLE 6 14.326 -4.167 -0.323 52 HG3 NLE 6 2HG NLE 6 14.570 -2.862 -1.478 53 HD2 NLE 6 1HD NLE 6 15.190 -1.321 0.166 54 HD3 NLE 6 2HD NLE 6 14.019 -1.924 1.345 55 HE1 NLE 6 1HE NLE 6 16.557 -3.274 0.576 56 HE2 NLE 6 2HE NLE 6 16.255 -2.442 1.990 57 HE3 NLE 6 3HE NLE 6 15.447 -3.868 1.682 58 H TRP 7 H TRP 7 11.044 0.615 -1.797 59 HA TRP 7 HA TRP 7 13.337 1.009 -3.604 60 HB2 TRP 7 1HB TRP 7 11.718 0.138 -5.051 61 HB3 TRP 7 2HB TRP 7 10.399 0.964 -4.226 62 HD1 TRP 7 HD1 TRP 7 9.778 3.381 -5.034 63 HE1 TRP 7 HE1 TRP 7 10.556 4.847 -7.002 64 HE3 TRP 7 HE3 TRP 7 13.867 0.681 -6.493 65 HZ2 TRP 7 HZ2 TRP 7 12.628 4.857 -8.919 66 HZ3 TRP 7 HZ3 TRP 7 15.193 1.487 -8.403 67 HH2 TRP 7 HH2 TRP 7 14.584 3.532 -9.590 68 H THR 8 H THR 8 13.850 3.137 -4.150 69 HA THR 8 HA THR 8 13.425 5.070 -2.154 70 HB THR 8 HB THR 8 14.337 6.675 -3.977 71 HG1 THR 8 HG1 THR 8 14.886 5.800 -5.849 72 HG21 THR 8 1HG2 THR 8 15.629 5.593 -2.105 73 HG22 THR 8 2HG2 THR 8 16.577 5.970 -3.544 74 HG23 THR 8 3HG2 THR 8 16.059 4.313 -3.237 75 H CYS 9 H CYS 9 11.533 5.772 -1.751 76 HA CYS 9 HA CYS 9 9.175 6.253 -2.803 77 HB2 CYS 9 1HB CYS 9 9.179 8.095 -1.037 78 HB3 CYS 9 2HB CYS 9 9.717 6.473 -0.636 79 H ASP 10 H ASP 10 9.548 7.185 -5.402 80 HA ASP 10 HA ASP 10 9.281 9.896 -5.478 81 HB2 ASP 10 1HB ASP 10 12.005 9.151 -4.814 82 HB3 ASP 10 2HB ASP 10 11.941 10.084 -6.307 83 H SER 11 H SER 11 11.833 8.114 -7.187 84 HA SER 11 HA SER 11 11.064 8.916 -9.740 85 HB2 SER 11 1HB SER 11 12.940 7.007 -8.592 86 HB3 SER 11 2HB SER 11 12.266 6.434 -10.117 87 HG SER 11 HG SER 11 13.105 8.153 -11.152 88 H LYS 12 H LYS 12 9.686 6.565 -7.670 89 HA LYS 12 HA LYS 12 8.078 5.499 -9.898 90 HB2 LYS 12 1HB LYS 12 9.555 3.880 -8.602 91 HB3 LYS 12 2HB LYS 12 8.489 4.155 -7.229 92 HG2 LYS 12 1HG LYS 12 7.169 2.554 -7.989 93 HG3 LYS 12 2HG LYS 12 6.820 3.552 -9.403 94 HD2 LYS 12 1HD LYS 12 7.608 1.366 -10.100 95 HD3 LYS 12 2HD LYS 12 8.794 2.602 -10.531 96 HE2 LYS 12 1HE LYS 12 10.288 1.918 -8.901 97 HE3 LYS 12 2HE LYS 12 9.036 1.142 -7.934 98 HZ1 LYS 12 1HZ LYS 12 10.116 0.158 -10.519 99 HZ2 LYS 12 2HZ LYS 12 8.852 -0.567 -9.660 100 HZ3 LYS 12 3HZ LYS 12 10.405 -0.510 -8.992 101 H ARG 13 H ARG 13 7.949 6.363 -6.450 102 HA ARG 13 HA ARG 13 5.667 7.918 -6.591 103 HB2 ARG 13 1HB ARG 13 4.065 6.232 -5.448 104 HB3 ARG 13 2HB ARG 13 4.263 6.162 -7.194 105 HG2 ARG 13 1HG ARG 13 6.223 4.476 -6.040 106 HG3 ARG 13 2HG ARG 13 4.674 4.116 -5.275 107 HD2 ARG 13 1HD ARG 13 5.322 4.093 -8.217 108 HD3 ARG 13 2HD ARG 13 4.897 2.716 -7.202 109 HE ARG 13 HE ARG 13 3.099 4.504 -8.488 110 HH11 ARG 13 1HH1 ARG 13 3.527 2.574 -5.622 111 HH12 ARG 13 2HH1 ARG 13 1.828 2.374 -5.344 112 HH21 ARG 13 1HH2 ARG 13 0.859 4.249 -8.133 113 HH22 ARG 13 2HH2 ARG 13 0.312 3.327 -6.773 114 H ALA 14 H ALA 14 4.968 8.671 -4.546 115 HA ALA 14 HA ALA 14 6.913 8.852 -2.580 116 HB1 ALA 14 1HB ALA 14 4.502 10.048 -3.037 117 HB2 ALA 14 2HB ALA 14 4.186 9.130 -1.563 118 HB3 ALA 14 3HB ALA 14 5.507 10.298 -1.609 119 H CYS 15 H CYS 15 6.482 8.273 -0.196 120 HA CYS 15 HA CYS 15 6.485 5.421 0.023 121 HB2 CYS 15 1HB CYS 15 6.346 7.481 2.226 122 HB3 CYS 15 2HB CYS 15 6.772 5.789 2.412 123 H CYS 16 H CYS 16 5.089 4.314 1.767 124 HA CYS 16 HA CYS 16 2.331 4.585 1.026 125 HB2 CYS 16 1HB CYS 16 3.925 2.524 1.992 126 HB3 CYS 16 2HB CYS 16 2.834 2.875 3.330 127 H GLU 17 H GLU 17 2.382 6.903 1.849 128 HA GLU 17 HA GLU 17 1.966 8.546 3.358 129 HB2 GLU 17 1HB GLU 17 0.048 6.505 4.543 130 HB3 GLU 17 2HB GLU 17 -0.037 8.257 4.732 131 HG2 GLU 17 1HG GLU 17 -0.376 6.742 2.106 132 HG3 GLU 17 2HG GLU 17 -1.661 7.425 3.087 133 H GLY 18 H GLY 18 4.181 6.699 4.048 134 HA2 GLY 18 1HA GLY 18 4.866 7.744 6.555 135 HA3 GLY 18 2HA GLY 18 4.262 6.112 6.803 136 H LEU 19 H LEU 19 5.653 4.476 6.597 137 HA LEU 19 HA LEU 19 7.659 3.411 6.384 138 HB2 LEU 19 1HB LEU 19 6.820 4.388 3.831 139 HB3 LEU 19 2HB LEU 19 8.580 4.417 3.915 140 HG LEU 19 HG LEU 19 8.545 2.012 4.517 141 HD11 LEU 19 1HD1 LEU 19 6.464 1.634 5.496 142 HD12 LEU 19 2HD1 LEU 19 6.343 0.840 3.925 143 HD13 LEU 19 3HD1 LEU 19 5.595 2.417 4.175 144 HD21 LEU 19 1HD2 LEU 19 7.080 1.807 2.057 145 HD22 LEU 19 2HD2 LEU 19 8.808 1.617 2.349 146 HD23 LEU 19 3HD2 LEU 19 8.138 3.216 2.022 147 H ARG 20 H ARG 20 10.056 4.000 5.234 148 HA ARG 20 HA ARG 20 10.886 6.481 6.592 149 HB2 ARG 20 1HB ARG 20 13.041 5.337 7.083 150 HB3 ARG 20 2HB ARG 20 11.661 4.607 7.892 151 HG2 ARG 20 1HG ARG 20 11.724 3.119 5.655 152 HG3 ARG 20 2HG ARG 20 13.437 3.517 5.813 153 HD2 ARG 20 1HD ARG 20 11.712 2.290 7.963 154 HD3 ARG 20 2HD ARG 20 12.859 1.416 6.950 155 HE ARG 20 HE ARG 20 14.034 3.605 8.391 156 HH11 ARG 20 1HH1 ARG 20 13.131 0.245 8.529 157 HH12 ARG 20 2HH1 ARG 20 14.283 -0.149 9.761 158 HH21 ARG 20 1HH2 ARG 20 15.555 3.098 10.014 159 HH22 ARG 20 2HH2 ARG 20 15.661 1.476 10.605 160 H CYS 21 H CYS 21 10.602 7.541 4.633 161 HA CYS 21 HA CYS 21 11.891 7.002 2.154 162 HB2 CYS 21 1HB CYS 21 10.032 8.703 2.813 163 HB3 CYS 21 2HB CYS 21 11.333 9.762 3.242 164 H LYS 22 H LYS 22 13.448 9.058 1.449 165 HA LYS 22 HA LYS 22 15.505 10.042 1.592 166 HB2 LYS 22 1HB LYS 22 14.751 10.041 4.177 167 HB3 LYS 22 2HB LYS 22 16.131 8.955 4.280 168 HG2 LYS 22 1HG LYS 22 17.527 10.688 3.207 169 HG3 LYS 22 2HG LYS 22 16.139 11.778 3.232 170 HD2 LYS 22 1HD LYS 22 16.382 12.221 5.421 171 HD3 LYS 22 2HD LYS 22 16.733 10.537 5.818 172 HE2 LYS 22 1HE LYS 22 18.945 10.881 5.782 173 HE3 LYS 22 2HE LYS 22 18.860 11.829 4.298 174 HZ1 LYS 22 1HZ LYS 22 18.348 13.771 5.518 175 HZ2 LYS 22 2HZ LYS 22 19.659 13.053 6.307 176 HZ3 LYS 22 3HZ LYS 22 18.102 12.909 6.953 177 H LEU 23 H LEU 23 16.537 8.826 0.081 178 HA LEU 23 HA LEU 23 18.228 7.475 -0.669 179 HB2 LEU 23 1HB LEU 23 18.403 6.212 2.048 180 HB3 LEU 23 2HB LEU 23 19.650 6.327 0.806 181 HG LEU 23 HG LEU 23 18.796 8.942 1.727 182 HD11 LEU 23 1HD1 LEU 23 20.211 8.440 3.925 183 HD12 LEU 23 2HD1 LEU 23 19.442 6.865 3.733 184 HD13 LEU 23 3HD1 LEU 23 18.452 8.318 3.878 185 HD21 LEU 23 1HD2 LEU 23 21.044 9.407 1.604 186 HD22 LEU 23 2HD2 LEU 23 20.911 8.074 0.457 187 HD23 LEU 23 3HD2 LEU 23 21.519 7.779 2.086 188 H TRP 24 H TRP 24 15.532 6.298 1.130 189 HA TRP 24 HA TRP 24 14.778 4.403 -0.758 190 HB2 TRP 24 1HB TRP 24 15.683 2.412 -0.166 191 HB3 TRP 24 2HB TRP 24 16.946 3.418 0.538 192 HD1 TRP 24 HD1 TRP 24 13.937 1.264 1.527 193 HE1 TRP 24 HE1 TRP 24 14.097 0.736 4.042 194 HE3 TRP 24 HE3 TRP 24 17.889 4.273 2.736 195 HZ2 TRP 24 HZ2 TRP 24 15.688 1.496 6.246 196 HZ3 TRP 24 HZ3 TRP 24 18.668 4.316 5.070 197 HH2 TRP 24 HH2 TRP 24 17.588 2.956 6.788 198 H CYS 25 H CYS 25 12.894 2.991 0.031 199 HA CYS 25 HA CYS 25 11.804 3.944 2.627 200 HB2 CYS 25 1HB CYS 25 10.887 4.924 0.177 201 HB3 CYS 25 2HB CYS 25 9.705 3.710 0.680 202 H ARG 26 H ARG 26 11.065 2.412 3.874 203 HA ARG 26 HA ARG 26 9.982 -0.070 3.011 204 HB2 ARG 26 1HB ARG 26 12.714 -0.086 2.978 205 HB3 ARG 26 2HB ARG 26 12.382 -0.661 4.606 206 HG2 ARG 26 1HG ARG 26 11.040 -1.869 2.215 207 HG3 ARG 26 2HG ARG 26 12.637 -2.394 2.751 208 HD2 ARG 26 1HD ARG 26 11.252 -2.431 5.088 209 HD3 ARG 26 2HD ARG 26 9.990 -2.864 3.936 210 HE ARG 26 HE ARG 26 10.959 -4.914 3.764 211 HH11 ARG 26 1HH1 ARG 26 13.370 -2.650 4.852 212 HH12 ARG 26 2HH1 ARG 26 14.601 -3.853 5.046 213 HH21 ARG 26 1HH2 ARG 26 12.572 -6.508 4.016 214 HH22 ARG 26 2HH2 ARG 26 14.146 -6.047 4.570 215 H LYS 27 H LYS 27 9.145 -1.323 4.744 216 HA LYS 27 HA LYS 27 8.041 0.062 6.842 217 HB2 LYS 27 1HB LYS 27 8.362 -2.745 6.114 218 HB3 LYS 27 2HB LYS 27 8.296 -2.507 7.855 219 HG2 LYS 27 1HG LYS 27 6.249 -1.466 5.909 220 HG3 LYS 27 2HG LYS 27 6.093 -2.957 6.841 221 HD2 LYS 27 1HD LYS 27 6.533 -1.413 8.886 222 HD3 LYS 27 2HD LYS 27 6.060 -0.117 7.785 223 HE2 LYS 27 1HE LYS 27 3.897 -0.690 7.866 224 HE3 LYS 27 2HE LYS 27 4.255 -2.409 7.726 225 HZ1 LYS 27 1HZ LYS 27 3.477 -2.401 9.828 226 HZ2 LYS 27 2HZ LYS 27 3.875 -0.781 10.108 227 HZ3 LYS 27 3HZ LYS 27 5.071 -1.974 10.200 228 H GLU 28 H GLU 28 8.518 0.369 9.007 229 HA GLU 28 HA GLU 28 11.253 0.697 9.660 230 HB2 GLU 28 1HB GLU 28 10.473 1.401 11.843 231 HB3 GLU 28 2HB GLU 28 9.443 2.096 10.599 232 HG2 GLU 28 1HG GLU 28 7.968 -0.011 11.066 233 HG3 GLU 28 2HG GLU 28 8.835 -0.020 12.601 234 H ILE 29 H ILE 29 12.407 -0.294 11.437 235 HA ILE 29 HA ILE 29 11.615 -3.102 11.863 236 HB ILE 29 HB ILE 29 14.425 -2.001 11.752 237 HG12 ILE 29 1HG1 ILE 29 13.343 -2.025 9.541 238 HG13 ILE 29 2HG1 ILE 29 14.623 -3.229 9.641 239 HG21 ILE 29 1HG2 ILE 29 14.917 -3.838 12.916 240 HG22 ILE 29 2HG2 ILE 29 13.297 -4.499 12.705 241 HG23 ILE 29 3HG2 ILE 29 14.517 -4.744 11.456 242 HD11 ILE 29 1HD1 ILE 29 12.251 -4.511 10.430 243 HD12 ILE 29 2HD1 ILE 29 11.874 -3.574 8.984 244 HD13 ILE 29 3HD1 ILE 29 13.184 -4.754 8.954 245 HXT ILE 29 HXT ILE 29 12.082 -3.855 13.857 Start of MODEL 8 1 H1 TYR 1 1H TYR 1 -0.706 4.911 -3.197 2 H2 TYR 1 2H TYR 1 0.864 5.179 -3.343 3 H3 TYR 1 3H TYR 1 0.273 3.646 -3.196 4 HA TYR 1 HA TYR 1 0.178 5.590 -1.075 5 HB2 TYR 1 1HB TYR 1 -0.073 2.576 -1.143 6 HB3 TYR 1 2HB TYR 1 -0.084 3.560 0.315 7 HD1 TYR 1 HD1 TYR 1 -1.937 2.859 -2.817 8 HD2 TYR 1 HD2 TYR 1 -2.069 4.598 1.064 9 HE1 TYR 1 HE1 TYR 1 -4.372 3.130 -3.028 10 HE2 TYR 1 HE2 TYR 1 -4.505 4.872 0.865 11 HH TYR 1 HH TYR 1 -6.222 3.939 -2.099 12 H CYS 2 H CYS 2 1.838 2.531 -1.853 13 HA CYS 2 HA CYS 2 4.215 3.474 -0.476 14 HB2 CYS 2 1HB CYS 2 3.739 0.828 -1.860 15 HB3 CYS 2 2HB CYS 2 5.047 1.210 -0.747 16 H GLN 3 H GLN 3 6.252 2.275 -1.827 17 HA GLN 3 HA GLN 3 6.204 3.515 -4.496 18 HB2 GLN 3 1HB GLN 3 8.385 4.423 -4.190 19 HB3 GLN 3 2HB GLN 3 7.435 4.895 -2.787 20 HG2 GLN 3 1HG GLN 3 9.514 2.729 -2.942 21 HG3 GLN 3 2HG GLN 3 9.604 4.245 -2.048 22 HE21 GLN 3 1HE2 GLN 3 9.528 1.205 -1.433 23 HE22 GLN 3 2HE2 GLN 3 8.451 1.117 -0.087 24 H LYS 4 H LYS 4 5.637 0.900 -4.286 25 HA LYS 4 HA LYS 4 6.220 -1.039 -5.364 26 HB2 LYS 4 1HB LYS 4 7.948 0.681 -6.505 27 HB3 LYS 4 2HB LYS 4 9.090 -0.340 -5.641 28 HG2 LYS 4 1HG LYS 4 7.348 -2.120 -6.877 29 HG3 LYS 4 2HG LYS 4 7.632 -0.854 -8.075 30 HD2 LYS 4 1HD LYS 4 10.080 -1.129 -7.676 31 HD3 LYS 4 2HD LYS 4 9.706 -2.506 -6.637 32 HE2 LYS 4 1HE LYS 4 8.313 -2.859 -9.079 33 HE3 LYS 4 2HE LYS 4 9.977 -2.425 -9.471 34 HZ1 LYS 4 1HZ LYS 4 9.338 -4.892 -9.062 35 HZ2 LYS 4 2HZ LYS 4 9.468 -4.476 -7.428 36 HZ3 LYS 4 3HZ LYS 4 10.799 -4.293 -8.456 37 H TRP 5 H TRP 5 7.828 0.283 -2.678 38 HA TRP 5 HA TRP 5 8.560 -0.678 -0.742 39 HB2 TRP 5 1HB TRP 5 6.923 -2.675 -1.887 40 HB3 TRP 5 2HB TRP 5 8.398 -3.482 -1.361 41 HD1 TRP 5 HD1 TRP 5 9.082 -2.320 1.334 42 HE1 TRP 5 HE1 TRP 5 7.495 -2.440 3.356 43 HE3 TRP 5 HE3 TRP 5 4.665 -3.019 -1.142 44 HZ2 TRP 5 HZ2 TRP 5 4.736 -2.787 3.838 45 HZ3 TRP 5 HZ3 TRP 5 2.597 -3.236 0.174 46 HH2 TRP 5 HH2 TRP 5 2.633 -3.122 2.611 47 H NLE 6 H NLE 6 10.515 -0.955 -0.090 48 HA NLE 6 HA NLE 6 12.916 -1.287 -0.143 49 HB2 NLE 6 1HB NLE 6 11.767 -3.592 -1.625 50 HB3 NLE 6 2HB NLE 6 13.423 -3.226 -2.098 51 HG2 NLE 6 1HG NLE 6 12.525 -3.589 0.847 52 HG3 NLE 6 2HG NLE 6 13.150 -4.908 -0.135 53 HD2 NLE 6 1HD NLE 6 15.205 -3.089 -0.517 54 HD3 NLE 6 2HD NLE 6 14.637 -2.552 1.068 55 HE1 NLE 6 1HE NLE 6 15.386 -5.341 0.348 56 HE2 NLE 6 2HE NLE 6 16.277 -4.270 1.265 57 HE3 NLE 6 3HE NLE 6 14.829 -4.851 1.852 58 H TRP 7 H TRP 7 11.197 0.331 -2.357 59 HA TRP 7 HA TRP 7 13.522 0.929 -4.069 60 HB2 TRP 7 1HB TRP 7 11.899 0.155 -5.559 61 HB3 TRP 7 2HB TRP 7 10.579 0.894 -4.657 62 HD1 TRP 7 HD1 TRP 7 9.947 3.387 -5.230 63 HE1 TRP 7 HE1 TRP 7 10.653 4.994 -7.113 64 HE3 TRP 7 HE3 TRP 7 13.957 0.791 -7.052 65 HZ2 TRP 7 HZ2 TRP 7 12.644 5.140 -9.108 66 HZ3 TRP 7 HZ3 TRP 7 15.208 1.734 -8.949 67 HH2 TRP 7 HH2 TRP 7 14.563 3.862 -9.955 68 H THR 8 H THR 8 13.923 3.123 -4.591 69 HA THR 8 HA THR 8 13.487 4.922 -2.434 70 HB THR 8 HB THR 8 14.638 6.593 -3.851 71 HG1 THR 8 HG1 THR 8 15.520 5.486 -5.888 72 HG21 THR 8 1HG2 THR 8 15.745 4.523 -2.590 73 HG22 THR 8 2HG2 THR 8 16.703 5.674 -3.524 74 HG23 THR 8 3HG2 THR 8 16.246 4.126 -4.234 75 H CYS 9 H CYS 9 11.466 5.455 -2.093 76 HA CYS 9 HA CYS 9 9.218 6.243 -3.315 77 HB2 CYS 9 1HB CYS 9 9.177 8.122 -1.713 78 HB3 CYS 9 2HB CYS 9 9.793 6.593 -1.056 79 H ASP 10 H ASP 10 8.355 8.061 -4.512 80 HA ASP 10 HA ASP 10 8.428 10.191 -5.392 81 HB2 ASP 10 1HB ASP 10 10.546 10.349 -3.745 82 HB3 ASP 10 2HB ASP 10 11.389 10.412 -5.291 83 H SER 11 H SER 11 11.313 8.288 -6.275 84 HA SER 11 HA SER 11 11.313 9.149 -8.982 85 HB2 SER 11 1HB SER 11 13.329 8.284 -7.824 86 HB3 SER 11 2HB SER 11 12.596 6.681 -7.785 87 HG SER 11 HG SER 11 13.972 7.836 -9.761 88 H LYS 12 H LYS 12 9.245 7.126 -7.348 89 HA LYS 12 HA LYS 12 8.393 5.858 -9.863 90 HB2 LYS 12 1HB LYS 12 9.464 4.128 -8.566 91 HB3 LYS 12 2HB LYS 12 8.549 4.577 -7.131 92 HG2 LYS 12 1HG LYS 12 7.222 2.881 -7.734 93 HG3 LYS 12 2HG LYS 12 6.542 4.049 -8.869 94 HD2 LYS 12 1HD LYS 12 6.989 2.217 -10.223 95 HD3 LYS 12 2HD LYS 12 8.414 3.232 -10.459 96 HE2 LYS 12 1HE LYS 12 9.706 1.889 -8.972 97 HE3 LYS 12 2HE LYS 12 8.280 0.999 -8.441 98 HZ1 LYS 12 1HZ LYS 12 8.584 0.828 -11.256 99 HZ2 LYS 12 2HZ LYS 12 8.519 -0.417 -10.112 100 HZ3 LYS 12 3HZ LYS 12 9.998 0.315 -10.483 101 H ARG 13 H ARG 13 7.517 7.076 -6.682 102 HA ARG 13 HA ARG 13 5.083 8.173 -7.572 103 HB2 ARG 13 1HB ARG 13 3.723 6.596 -5.919 104 HB3 ARG 13 2HB ARG 13 3.932 6.202 -7.620 105 HG2 ARG 13 1HG ARG 13 6.133 5.039 -6.567 106 HG3 ARG 13 2HG ARG 13 4.996 4.878 -5.228 107 HD2 ARG 13 1HD ARG 13 4.297 4.095 -8.045 108 HD3 ARG 13 2HD ARG 13 5.062 2.978 -6.917 109 HE ARG 13 HE ARG 13 2.814 4.063 -5.667 110 HH11 ARG 13 1HH1 ARG 13 3.595 1.990 -8.352 111 HH12 ARG 13 2HH1 ARG 13 2.115 1.094 -8.261 112 HH21 ARG 13 1HH2 ARG 13 0.861 2.892 -5.535 113 HH22 ARG 13 2HH2 ARG 13 0.560 1.609 -6.658 114 H ALA 14 H ALA 14 5.653 6.495 -4.501 115 HA ALA 14 HA ALA 14 6.720 8.631 -3.059 116 HB1 ALA 14 1HB ALA 14 4.841 9.955 -3.263 117 HB2 ALA 14 2HB ALA 14 3.737 8.580 -3.205 118 HB3 ALA 14 3HB ALA 14 4.538 9.130 -1.734 119 H CYS 15 H CYS 15 6.790 8.270 -0.749 120 HA CYS 15 HA CYS 15 7.023 5.526 0.051 121 HB2 CYS 15 1HB CYS 15 6.906 8.108 1.615 122 HB3 CYS 15 2HB CYS 15 7.107 6.537 2.394 123 H CYS 16 H CYS 16 5.824 4.334 1.537 124 HA CYS 16 HA CYS 16 3.014 4.929 1.595 125 HB2 CYS 16 1HB CYS 16 4.642 2.637 1.979 126 HB3 CYS 16 2HB CYS 16 3.713 2.868 3.456 127 H GLU 17 H GLU 17 2.024 4.319 4.019 128 HA GLU 17 HA GLU 17 2.740 6.633 5.676 129 HB2 GLU 17 1HB GLU 17 0.782 4.354 6.171 130 HB3 GLU 17 2HB GLU 17 0.943 5.813 7.150 131 HG2 GLU 17 1HG GLU 17 0.051 5.687 4.234 132 HG3 GLU 17 2HG GLU 17 -0.978 5.955 5.633 133 H GLY 18 H GLY 18 4.480 6.564 6.924 134 HA2 GLY 18 1HA GLY 18 5.477 5.868 8.990 135 HA3 GLY 18 2HA GLY 18 4.978 4.221 8.631 136 H LEU 19 H LEU 19 5.917 4.477 5.823 137 HA LEU 19 HA LEU 19 8.421 3.324 6.068 138 HB2 LEU 19 1HB LEU 19 6.717 4.225 3.944 139 HB3 LEU 19 2HB LEU 19 8.390 4.643 3.584 140 HG LEU 19 HG LEU 19 9.048 2.332 3.713 141 HD11 LEU 19 1HD1 LEU 19 7.373 0.559 4.097 142 HD12 LEU 19 2HD1 LEU 19 6.194 1.800 4.520 143 HD13 LEU 19 3HD1 LEU 19 7.634 1.579 5.513 144 HD21 LEU 19 1HD2 LEU 19 6.615 1.937 2.129 145 HD22 LEU 19 2HD2 LEU 19 8.311 1.832 1.655 146 HD23 LEU 19 3HD2 LEU 19 7.514 3.404 1.739 147 H ARG 20 H ARG 20 10.412 4.310 4.837 148 HA ARG 20 HA ARG 20 10.831 7.060 5.804 149 HB2 ARG 20 1HB ARG 20 13.212 6.376 6.253 150 HB3 ARG 20 2HB ARG 20 12.017 5.660 7.325 151 HG2 ARG 20 1HG ARG 20 12.343 3.910 5.127 152 HG3 ARG 20 2HG ARG 20 13.950 4.372 5.694 153 HD2 ARG 20 1HD ARG 20 13.090 3.840 8.035 154 HD3 ARG 20 2HD ARG 20 11.726 3.061 7.233 155 HE ARG 20 HE ARG 20 13.103 1.324 6.639 156 HH11 ARG 20 1HH1 ARG 20 15.028 4.001 7.760 157 HH12 ARG 20 2HH1 ARG 20 16.505 3.094 7.793 158 HH21 ARG 20 1HH2 ARG 20 15.041 0.119 6.680 159 HH22 ARG 20 2HH2 ARG 20 16.511 0.887 7.178 160 H CYS 21 H CYS 21 10.861 8.252 4.017 161 HA CYS 21 HA CYS 21 11.572 7.325 1.437 162 HB2 CYS 21 1HB CYS 21 10.126 9.342 2.238 163 HB3 CYS 21 2HB CYS 21 11.620 10.222 2.335 164 H LYS 22 H LYS 22 13.190 9.505 0.556 165 HA LYS 22 HA LYS 22 15.328 10.323 0.480 166 HB2 LYS 22 1HB LYS 22 15.969 8.804 3.002 167 HB3 LYS 22 2HB LYS 22 16.760 10.240 2.364 168 HG2 LYS 22 1HG LYS 22 14.330 11.254 2.696 169 HG3 LYS 22 2HG LYS 22 14.252 9.980 3.915 170 HD2 LYS 22 1HD LYS 22 16.727 11.576 3.911 171 HD3 LYS 22 2HD LYS 22 15.261 12.455 4.355 172 HE2 LYS 22 1HE LYS 22 14.902 10.257 5.832 173 HE3 LYS 22 2HE LYS 22 16.663 10.253 5.758 174 HZ1 LYS 22 1HZ LYS 22 14.902 12.382 6.825 175 HZ2 LYS 22 2HZ LYS 22 16.545 12.627 6.512 176 HZ3 LYS 22 3HZ LYS 22 16.064 11.482 7.660 177 H LEU 23 H LEU 23 17.435 8.429 1.845 178 HA LEU 23 HA LEU 23 18.621 7.296 -0.254 179 HB2 LEU 23 1HB LEU 23 18.217 5.879 2.376 180 HB3 LEU 23 2HB LEU 23 19.477 5.523 1.196 181 HG LEU 23 HG LEU 23 19.350 8.280 2.305 182 HD11 LEU 23 1HD1 LEU 23 19.080 6.502 4.176 183 HD12 LEU 23 2HD1 LEU 23 20.287 7.775 4.352 184 HD13 LEU 23 3HD1 LEU 23 20.779 6.159 3.849 185 HD21 LEU 23 1HD2 LEU 23 21.250 8.349 1.159 186 HD22 LEU 23 2HD2 LEU 23 21.169 6.619 0.826 187 HD23 LEU 23 3HD2 LEU 23 21.937 7.200 2.306 188 H TRP 24 H TRP 24 15.929 5.780 1.499 189 HA TRP 24 HA TRP 24 14.782 4.638 -0.789 190 HB2 TRP 24 1HB TRP 24 15.486 2.436 -0.835 191 HB3 TRP 24 2HB TRP 24 16.980 3.256 -0.395 192 HD1 TRP 24 HD1 TRP 24 14.305 0.937 1.037 193 HE1 TRP 24 HE1 TRP 24 15.176 -0.068 3.240 194 HE3 TRP 24 HE3 TRP 24 18.565 3.713 1.568 195 HZ2 TRP 24 HZ2 TRP 24 17.379 0.270 4.974 196 HZ3 TRP 24 HZ3 TRP 24 19.998 3.311 3.526 197 HH2 TRP 24 HH2 TRP 24 19.415 1.626 5.193 198 H CYS 25 H CYS 25 12.830 3.521 -0.370 199 HA CYS 25 HA CYS 25 11.859 4.020 2.365 200 HB2 CYS 25 1HB CYS 25 10.798 4.706 -0.145 201 HB3 CYS 25 2HB CYS 25 9.729 3.499 0.622 202 H ARG 26 H ARG 26 11.111 2.634 3.766 203 HA ARG 26 HA ARG 26 10.783 -0.125 3.131 204 HB2 ARG 26 1HB ARG 26 13.427 0.727 3.698 205 HB3 ARG 26 2HB ARG 26 12.864 -0.177 5.096 206 HG2 ARG 26 1HG ARG 26 12.921 -1.142 2.245 207 HG3 ARG 26 2HG ARG 26 13.992 -1.647 3.554 208 HD2 ARG 26 1HD ARG 26 11.008 -2.071 3.429 209 HD3 ARG 26 2HD ARG 26 12.245 -3.300 3.166 210 HE ARG 26 HE ARG 26 12.426 -1.994 5.722 211 HH11 ARG 26 1HH1 ARG 26 10.965 -4.591 3.924 212 HH12 ARG 26 2HH1 ARG 26 10.656 -5.561 5.326 213 HH21 ARG 26 1HH2 ARG 26 12.025 -3.261 7.575 214 HH22 ARG 26 2HH2 ARG 26 11.259 -4.802 7.402 215 H LYS 27 H LYS 27 9.909 -1.321 4.848 216 HA LYS 27 HA LYS 27 8.278 0.015 6.627 217 HB2 LYS 27 1HB LYS 27 9.166 -2.751 6.244 218 HB3 LYS 27 2HB LYS 27 8.728 -2.381 7.907 219 HG2 LYS 27 1HG LYS 27 6.915 -1.683 5.627 220 HG3 LYS 27 2HG LYS 27 6.914 -3.292 6.355 221 HD2 LYS 27 1HD LYS 27 6.483 -2.247 8.558 222 HD3 LYS 27 2HD LYS 27 6.382 -0.674 7.762 223 HE2 LYS 27 1HE LYS 27 4.173 -1.185 7.752 224 HE3 LYS 27 2HE LYS 27 4.626 -2.012 6.262 225 HZ1 LYS 27 1HZ LYS 27 3.245 -3.312 7.906 226 HZ2 LYS 27 2HZ LYS 27 4.621 -3.381 8.887 227 HZ3 LYS 27 3HZ LYS 27 4.647 -4.076 7.347 228 H GLU 28 H GLU 28 8.377 0.549 8.799 229 HA GLU 28 HA GLU 28 11.095 0.655 9.923 230 HB2 GLU 28 1HB GLU 28 9.108 2.658 9.595 231 HB3 GLU 28 2HB GLU 28 9.292 2.376 11.319 232 HG2 GLU 28 1HG GLU 28 11.871 2.508 10.623 233 HG3 GLU 28 2HG GLU 28 11.176 3.540 9.373 234 H ILE 29 H ILE 29 7.689 0.136 10.768 235 HA ILE 29 HA ILE 29 8.599 -1.456 13.074 236 HB ILE 29 HB ILE 29 7.611 0.667 13.842 237 HG12 ILE 29 1HG1 ILE 29 5.765 -1.655 14.422 238 HG13 ILE 29 2HG1 ILE 29 7.372 -1.492 15.121 239 HG21 ILE 29 1HG2 ILE 29 6.076 0.886 11.858 240 HG22 ILE 29 2HG2 ILE 29 5.018 -0.284 12.648 241 HG23 ILE 29 3HG2 ILE 29 5.355 1.264 13.421 242 HD11 ILE 29 1HD1 ILE 29 6.400 0.873 15.822 243 HD12 ILE 29 2HD1 ILE 29 4.881 -0.018 15.717 244 HD13 ILE 29 3HD1 ILE 29 6.160 -0.578 16.795 245 HXT ILE 29 HXT ILE 29 7.524 -3.267 13.291
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