NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12122 | 1skk | 6169 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H LYS 1 HN LYS 1 -2.537 -1.978 0.155 2 HA LYS 1 HA LYS 1 -3.227 -2.635 2.607 3 1HB LYS 1 HB2 LYS 1 -1.538 -4.682 1.100 4 2HB LYS 1 HB3 LYS 1 -2.960 -4.869 2.071 5 1HG LYS 1 HG2 LYS 1 -4.321 -3.643 0.331 6 2HG LYS 1 HG3 LYS 1 -2.880 -3.657 -0.710 7 1HD LYS 1 HD2 LYS 1 -2.842 -6.154 -0.579 8 2HD LYS 1 HD3 LYS 1 -4.329 -6.101 0.398 9 1HE LYS 1 HE2 LYS 1 -5.473 -4.900 -1.474 10 2HE LYS 1 HE3 LYS 1 -3.998 -5.055 -2.447 11 1HZ LYS 1 1HZ LYS 1 -5.610 -7.268 -1.387 12 2HZ LYS 1 2HZ LYS 1 -5.555 -6.768 -2.957 13 3HZ LYS 1 3HZ LYS 1 -4.218 -7.435 -2.258 14 H LYS 2 HN LYS 2 0.179 -2.964 1.554 15 HA LYS 2 HA LYS 2 1.101 -3.020 4.360 16 1HB LYS 2 HB2 LYS 2 1.650 -4.890 2.003 17 2HB LYS 2 HB3 LYS 2 2.748 -4.722 3.341 18 1HG LYS 2 HG2 LYS 2 0.941 -5.354 4.940 19 2HG LYS 2 HG3 LYS 2 -0.166 -5.573 3.570 20 1HD LYS 2 HD2 LYS 2 1.305 -7.338 2.649 21 2HD LYS 2 HD3 LYS 2 2.424 -7.121 4.016 22 1HE LYS 2 HE2 LYS 2 0.613 -7.726 5.593 23 2HE LYS 2 HE3 LYS 2 -0.505 -7.943 4.232 24 1HZ LYS 2 1HZ LYS 2 0.916 -9.684 3.428 25 2HZ LYS 2 2HZ LYS 2 1.952 -9.483 4.695 26 3HZ LYS 2 3HZ LYS 2 0.413 -10.011 4.964 27 H TRP 3 HN TRP 3 1.372 -1.239 1.394 28 HA TRP 3 HA TRP 3 3.864 -0.056 2.352 29 1HB TRP 3 HB2 TRP 3 4.500 -0.335 -0.322 30 2HB TRP 3 HB3 TRP 3 5.198 -1.242 1.003 31 HD1 TRP 3 HD1 TRP 3 4.718 -3.762 1.199 32 HE1 TRP 3 HE1 TRP 3 3.434 -5.501 -0.130 33 HE3 TRP 3 HE3 TRP 3 2.528 -0.669 -2.273 34 HZ2 TRP 3 HZ2 TRP 3 1.433 -5.535 -2.224 35 HZ3 TRP 3 HZ3 TRP 3 0.770 -1.579 -3.767 36 HH2 TRP 3 HH2 TRP 3 0.238 -3.995 -3.776 37 H TRP 4 HN TRP 4 3.961 2.052 1.770 38 HA TRP 4 HA TRP 4 3.149 4.081 1.301 39 1HB TRP 4 HB2 TRP 4 3.682 3.087 -1.012 40 2HB TRP 4 HB3 TRP 4 1.984 2.849 -1.205 41 HD1 TRP 4 HD1 TRP 4 4.194 5.827 0.012 42 HE1 TRP 4 HE1 TRP 4 3.618 7.952 -1.252 43 HE3 TRP 4 HE3 TRP 4 0.527 3.967 -2.975 44 HZ2 TRP 4 HZ2 TRP 4 1.830 8.749 -3.404 45 HZ3 TRP 4 HZ3 TRP 4 -0.587 5.416 -4.673 46 HH2 TRP 4 HH2 TRP 4 0.087 7.803 -4.911 47 H LYS 5 HN LYS 5 0.488 4.474 -0.297 48 HA LYS 5 HA LYS 5 -1.270 4.329 2.035 49 1HB LYS 5 HB2 LYS 5 -2.011 5.379 -0.704 50 2HB LYS 5 HB3 LYS 5 -2.800 5.551 0.853 51 1HG LYS 5 HG2 LYS 5 -0.787 6.953 1.631 52 2HG LYS 5 HG3 LYS 5 0.004 6.634 0.086 53 1HD LYS 5 HD2 LYS 5 -2.137 7.782 -0.933 54 2HD LYS 5 HD3 LYS 5 -2.265 8.520 0.664 55 1HE LYS 5 HE2 LYS 5 -0.020 9.648 0.335 56 2HE LYS 5 HE3 LYS 5 0.229 8.631 -1.098 57 1HZ LYS 5 1HZ LYS 5 -0.474 10.824 -1.641 58 2HZ LYS 5 2HZ LYS 5 -1.607 9.728 -2.124 59 3HZ LYS 5 3HZ LYS 5 -1.870 10.646 -0.781 60 H PHE 6 HN PHE 6 -0.493 1.886 0.911 61 HA PHE 6 HA PHE 6 -3.065 0.631 0.060 62 1HB PHE 6 HB2 PHE 6 -0.338 -0.170 -0.998 63 2HB PHE 6 HB3 PHE 6 -1.858 -0.833 -1.443 64 HD1 PHE 6 HD1 PHE 6 -3.678 1.325 -2.007 65 HD2 PHE 6 HD2 PHE 6 0.506 0.881 -2.965 66 HE1 PHE 6 HE1 PHE 6 -3.982 2.753 -4.003 67 HE2 PHE 6 HE2 PHE 6 0.179 2.271 -4.991 68 HZ PHE 6 HZ PHE 6 -2.058 3.222 -5.506 Start of MODEL 2 1 H LYS 1 HN LYS 1 -2.394 -2.082 0.060 2 HA LYS 1 HA LYS 1 -3.263 -2.484 2.571 3 1HB LYS 1 HB2 LYS 1 -1.521 -4.608 1.234 4 2HB LYS 1 HB3 LYS 1 -2.909 -4.764 2.271 5 1HG LYS 1 HG2 LYS 1 -4.410 -3.879 0.510 6 2HG LYS 1 HG3 LYS 1 -3.016 -3.736 -0.587 7 1HD LYS 1 HD2 LYS 1 -2.599 -6.172 -0.390 8 2HD LYS 1 HD3 LYS 1 -4.004 -6.326 0.689 9 1HE LYS 1 HE2 LYS 1 -5.484 -5.505 -1.108 10 2HE LYS 1 HE3 LYS 1 -4.086 -5.312 -2.184 11 1HZ LYS 1 1HZ LYS 1 -5.016 -7.844 -1.025 12 2HZ LYS 1 2HZ LYS 1 -5.239 -7.356 -2.585 13 3HZ LYS 1 3HZ LYS 1 -3.718 -7.663 -2.026 14 H LYS 2 HN LYS 2 0.169 -2.814 1.590 15 HA LYS 2 HA LYS 2 1.036 -2.866 4.420 16 1HB LYS 2 HB2 LYS 2 1.638 -4.732 2.071 17 2HB LYS 2 HB3 LYS 2 2.612 -4.641 3.506 18 1HG LYS 2 HG2 LYS 2 0.662 -5.269 4.915 19 2HG LYS 2 HG3 LYS 2 -0.349 -5.352 3.460 20 1HD LYS 2 HD2 LYS 2 1.123 -7.135 2.541 21 2HD LYS 2 HD3 LYS 2 2.071 -7.103 4.047 22 1HE LYS 2 HE2 LYS 2 0.041 -7.679 5.339 23 2HE LYS 2 HE3 LYS 2 -0.918 -7.675 3.847 24 1HZ LYS 2 1HZ LYS 2 0.432 -9.471 3.046 25 2HZ LYS 2 2HZ LYS 2 1.318 -9.482 4.437 26 3HZ LYS 2 3HZ LYS 2 -0.284 -9.874 4.475 27 H TRP 3 HN TRP 3 1.469 -1.217 1.389 28 HA TRP 3 HA TRP 3 3.943 -0.012 2.359 29 1HB TRP 3 HB2 TRP 3 4.697 -0.501 -0.253 30 2HB TRP 3 HB3 TRP 3 5.320 -1.316 1.166 31 HD1 TRP 3 HD1 TRP 3 4.720 -3.806 1.561 32 HE1 TRP 3 HE1 TRP 3 3.488 -5.617 0.283 33 HE3 TRP 3 HE3 TRP 3 2.865 -0.949 -2.264 34 HZ2 TRP 3 HZ2 TRP 3 1.572 -5.753 -1.890 35 HZ3 TRP 3 HZ3 TRP 3 1.088 -1.902 -3.732 36 HH2 TRP 3 HH2 TRP 3 0.477 -4.291 -3.588 37 H TRP 4 HN TRP 4 3.945 2.079 1.754 38 HA TRP 4 HA TRP 4 3.082 4.056 1.165 39 1HB TRP 4 HB2 TRP 4 3.512 3.015 -1.204 40 2HB TRP 4 HB3 TRP 4 1.814 2.800 -1.278 41 HD1 TRP 4 HD1 TRP 4 4.158 5.766 -0.366 42 HE1 TRP 4 HE1 TRP 4 3.412 7.864 -1.591 43 HE3 TRP 4 HE3 TRP 4 0.073 3.863 -2.689 44 HZ2 TRP 4 HZ2 TRP 4 1.336 8.608 -3.497 45 HZ3 TRP 4 HZ3 TRP 4 -1.279 5.269 -4.257 46 HH2 TRP 4 HH2 TRP 4 -0.620 7.632 -4.691 47 H LYS 5 HN LYS 5 0.350 4.529 -0.086 48 HA LYS 5 HA LYS 5 -1.196 4.243 2.331 49 1HB LYS 5 HB2 LYS 5 -2.278 5.047 -0.388 50 2HB LYS 5 HB3 LYS 5 -2.973 5.296 1.190 51 1HG LYS 5 HG2 LYS 5 -0.938 6.816 1.734 52 2HG LYS 5 HG3 LYS 5 -0.295 6.463 0.131 53 1HD LYS 5 HD2 LYS 5 -2.562 7.492 -0.711 54 2HD LYS 5 HD3 LYS 5 -2.563 8.282 0.869 55 1HE LYS 5 HE2 LYS 5 -0.353 9.426 0.288 56 2HE LYS 5 HE3 LYS 5 -0.286 8.415 -1.168 57 1HZ LYS 5 1HZ LYS 5 -1.068 10.592 -1.618 58 2HZ LYS 5 2HZ LYS 5 -2.266 9.499 -1.927 59 3HZ LYS 5 3HZ LYS 5 -2.325 10.424 -0.563 60 H PHE 6 HN PHE 6 -0.561 2.050 -0.087 61 HA PHE 6 HA PHE 6 -3.036 0.585 -0.331 62 1HB PHE 6 HB2 PHE 6 -0.196 -0.261 -0.947 63 2HB PHE 6 HB3 PHE 6 -1.637 -0.959 -1.595 64 HD1 PHE 6 HD1 PHE 6 0.987 0.631 -2.776 65 HD2 PHE 6 HD2 PHE 6 -3.284 1.218 -2.567 66 HE1 PHE 6 HE1 PHE 6 1.055 1.918 -4.891 67 HE2 PHE 6 HE2 PHE 6 -3.201 2.524 -4.670 68 HZ PHE 6 HZ PHE 6 -1.036 2.867 -5.843 Start of MODEL 3 1 H LYS 1 HN LYS 1 -2.402 -2.050 0.038 2 HA LYS 1 HA LYS 1 -3.281 -2.560 2.504 3 1HB LYS 1 HB2 LYS 1 -1.471 -4.636 1.185 4 2HB LYS 1 HB3 LYS 1 -2.929 -4.822 2.110 5 1HG LYS 1 HG2 LYS 1 -4.285 -3.818 0.285 6 2HG LYS 1 HG3 LYS 1 -2.817 -3.656 -0.700 7 1HD LYS 1 HD2 LYS 1 -2.467 -6.101 -0.613 8 2HD LYS 1 HD3 LYS 1 -3.967 -6.291 0.314 9 1HE LYS 1 HE2 LYS 1 -3.779 -5.041 -2.463 10 2HE LYS 1 HE3 LYS 1 -4.202 -6.734 -2.153 11 1HZ LYS 1 1HZ LYS 1 -6.096 -5.989 -0.926 12 2HZ LYS 1 2HZ LYS 1 -5.708 -4.408 -1.190 13 3HZ LYS 1 3HZ LYS 1 -6.131 -5.376 -2.457 14 H LYS 2 HN LYS 2 0.158 -2.810 1.595 15 HA LYS 2 HA LYS 2 0.998 -2.809 4.438 16 1HB LYS 2 HB2 LYS 2 1.525 -4.782 2.170 17 2HB LYS 2 HB3 LYS 2 2.650 -4.577 3.479 18 1HG LYS 2 HG2 LYS 2 0.879 -5.122 5.137 19 2HG LYS 2 HG3 LYS 2 -0.280 -5.339 3.811 20 1HD LYS 2 HD2 LYS 2 1.087 -7.179 2.890 21 2HD LYS 2 HD3 LYS 2 2.264 -6.971 4.209 22 1HE LYS 2 HE2 LYS 2 0.508 -7.475 5.870 23 2HE LYS 2 HE3 LYS 2 -0.687 -7.649 4.569 24 1HZ LYS 2 1HZ LYS 2 0.587 -9.477 3.724 25 2HZ LYS 2 2HZ LYS 2 1.704 -9.314 4.927 26 3HZ LYS 2 3HZ LYS 2 0.157 -9.754 5.292 27 H TRP 3 HN TRP 3 1.454 -1.208 1.392 28 HA TRP 3 HA TRP 3 3.926 0.005 2.360 29 1HB TRP 3 HB2 TRP 3 4.710 -0.532 -0.228 30 2HB TRP 3 HB3 TRP 3 5.295 -1.345 1.208 31 HD1 TRP 3 HD1 TRP 3 4.691 -3.830 1.592 32 HE1 TRP 3 HE1 TRP 3 3.415 -5.625 0.331 33 HE3 TRP 3 HE3 TRP 3 2.885 -0.965 -2.250 34 HZ2 TRP 3 HZ2 TRP 3 1.513 -5.746 -1.858 35 HZ3 TRP 3 HZ3 TRP 3 1.142 -1.911 -3.759 36 HH2 TRP 3 HH2 TRP 3 0.477 -4.286 -3.593 37 H TRP 4 HN TRP 4 3.939 2.092 1.728 38 HA TRP 4 HA TRP 4 3.087 4.064 1.106 39 1HB TRP 4 HB2 TRP 4 3.500 3.018 -1.248 40 2HB TRP 4 HB3 TRP 4 1.804 2.779 -1.317 41 HD1 TRP 4 HD1 TRP 4 4.103 5.793 -0.436 42 HE1 TRP 4 HE1 TRP 4 3.300 7.869 -1.662 43 HE3 TRP 4 HE3 TRP 4 0.037 3.791 -2.715 44 HZ2 TRP 4 HZ2 TRP 4 1.186 8.562 -3.549 45 HZ3 TRP 4 HZ3 TRP 4 -1.359 5.163 -4.272 46 HH2 TRP 4 HH2 TRP 4 -0.760 7.539 -4.719 47 H LYS 5 HN LYS 5 0.333 4.564 -0.092 48 HA LYS 5 HA LYS 5 -1.189 4.287 2.334 49 1HB LYS 5 HB2 LYS 5 -2.338 4.932 -0.397 50 2HB LYS 5 HB3 LYS 5 -3.027 5.224 1.182 51 1HG LYS 5 HG2 LYS 5 -1.077 6.877 1.612 52 2HG LYS 5 HG3 LYS 5 -0.449 6.490 0.008 53 1HD LYS 5 HD2 LYS 5 -2.842 7.292 -0.787 54 2HD LYS 5 HD3 LYS 5 -2.829 8.177 0.737 55 1HE LYS 5 HE2 LYS 5 -0.794 9.491 -0.039 56 2HE LYS 5 HE3 LYS 5 -0.656 8.365 -1.405 57 1HZ LYS 5 1HZ LYS 5 -2.894 10.185 -0.905 58 2HZ LYS 5 2HZ LYS 5 -1.687 10.403 -2.008 59 3HZ LYS 5 3HZ LYS 5 -2.755 9.159 -2.187 60 H PHE 6 HN PHE 6 -0.548 2.050 -0.093 61 HA PHE 6 HA PHE 6 -3.013 0.590 -0.298 62 1HB PHE 6 HB2 PHE 6 -0.190 -0.297 -0.946 63 2HB PHE 6 HB3 PHE 6 -1.655 -0.946 -1.591 64 HD1 PHE 6 HD1 PHE 6 0.971 0.445 -2.857 65 HD2 PHE 6 HD2 PHE 6 -3.215 1.417 -2.452 66 HE1 PHE 6 HE1 PHE 6 1.055 1.704 -4.986 67 HE2 PHE 6 HE2 PHE 6 -3.113 2.698 -4.569 68 HZ PHE 6 HZ PHE 6 -0.987 2.828 -5.850 Start of MODEL 4 1 H LYS 1 HN LYS 1 -2.559 -1.993 0.217 2 HA LYS 1 HA LYS 1 -3.191 -2.538 2.737 3 1HB LYS 1 HB2 LYS 1 -1.686 -4.654 1.121 4 2HB LYS 1 HB3 LYS 1 -2.964 -4.802 2.276 5 1HG LYS 1 HG2 LYS 1 -4.575 -3.673 0.764 6 2HG LYS 1 HG3 LYS 1 -3.310 -3.583 -0.482 7 1HD LYS 1 HD2 LYS 1 -3.132 -6.035 -0.527 8 2HD LYS 1 HD3 LYS 1 -4.336 -6.167 0.776 9 1HE LYS 1 HE2 LYS 1 -6.022 -5.073 -0.663 10 2HE LYS 1 HE3 LYS 1 -4.829 -4.942 -1.971 11 1HZ LYS 1 1HZ LYS 1 -4.700 -7.319 -2.013 12 2HZ LYS 1 2HZ LYS 1 -5.788 -7.448 -0.780 13 3HZ LYS 1 3HZ LYS 1 -6.260 -6.833 -2.235 14 H LYS 2 HN LYS 2 0.159 -2.962 1.524 15 HA LYS 2 HA LYS 2 1.170 -3.189 4.291 16 1HB LYS 2 HB2 LYS 2 1.793 -4.785 1.755 17 2HB LYS 2 HB3 LYS 2 2.746 -4.813 3.207 18 1HG LYS 2 HG2 LYS 2 0.779 -5.650 4.502 19 2HG LYS 2 HG3 LYS 2 -0.168 -5.662 2.999 20 1HD LYS 2 HD2 LYS 2 1.490 -7.241 1.992 21 2HD LYS 2 HD3 LYS 2 2.358 -7.282 3.544 22 1HE LYS 2 HE2 LYS 2 0.311 -8.142 4.653 23 2HE LYS 2 HE3 LYS 2 -0.544 -8.100 3.099 24 1HZ LYS 2 1HZ LYS 2 1.048 -9.671 2.257 25 2HZ LYS 2 2HZ LYS 2 1.825 -9.720 3.710 26 3HZ LYS 2 3HZ LYS 2 0.276 -10.275 3.583 27 H TRP 3 HN TRP 3 1.381 -1.259 1.374 28 HA TRP 3 HA TRP 3 3.877 -0.088 2.345 29 1HB TRP 3 HB2 TRP 3 4.460 -0.294 -0.355 30 2HB TRP 3 HB3 TRP 3 5.199 -1.218 0.934 31 HD1 TRP 3 HD1 TRP 3 4.724 -3.746 1.110 32 HE1 TRP 3 HE1 TRP 3 3.436 -5.474 -0.228 33 HE3 TRP 3 HE3 TRP 3 2.480 -0.622 -2.294 34 HZ2 TRP 3 HZ2 TRP 3 1.350 -5.480 -2.238 35 HZ3 TRP 3 HZ3 TRP 3 0.644 -1.507 -3.714 36 HH2 TRP 3 HH2 TRP 3 0.097 -3.917 -3.722 37 H TRP 4 HN TRP 4 3.903 2.031 1.891 38 HA TRP 4 HA TRP 4 3.134 4.073 1.406 39 1HB TRP 4 HB2 TRP 4 3.748 3.051 -0.884 40 2HB TRP 4 HB3 TRP 4 2.074 2.858 -1.158 41 HD1 TRP 4 HD1 TRP 4 4.365 5.747 0.117 42 HE1 TRP 4 HE1 TRP 4 3.916 7.895 -1.160 43 HE3 TRP 4 HE3 TRP 4 0.649 4.066 -2.895 44 HZ2 TRP 4 HZ2 TRP 4 2.210 8.768 -3.352 45 HZ3 TRP 4 HZ3 TRP 4 -0.374 5.561 -4.621 46 HH2 TRP 4 HH2 TRP 4 0.435 7.905 -4.873 47 H LYS 5 HN LYS 5 0.527 4.437 -0.340 48 HA LYS 5 HA LYS 5 -1.309 4.381 1.938 49 1HB LYS 5 HB2 LYS 5 -1.912 5.395 -0.854 50 2HB LYS 5 HB3 LYS 5 -2.796 5.576 0.639 51 1HG LYS 5 HG2 LYS 5 -1.056 7.109 1.538 52 2HG LYS 5 HG3 LYS 5 0.102 6.594 0.314 53 1HD LYS 5 HD2 LYS 5 -1.505 7.629 -1.414 54 2HD LYS 5 HD3 LYS 5 -2.198 8.512 -0.049 55 1HE LYS 5 HE2 LYS 5 -0.040 9.718 0.312 56 2HE LYS 5 HE3 LYS 5 0.788 8.507 -0.683 57 1HZ LYS 5 1HZ LYS 5 -0.379 9.320 -2.565 58 2HZ LYS 5 2HZ LYS 5 -1.218 10.406 -1.649 59 3HZ LYS 5 3HZ LYS 5 0.417 10.554 -1.816 60 H PHE 6 HN PHE 6 -0.515 1.908 0.920 61 HA PHE 6 HA PHE 6 -3.066 0.629 0.050 62 1HB PHE 6 HB2 PHE 6 -0.335 -0.212 -0.961 63 2HB PHE 6 HB3 PHE 6 -1.863 -0.824 -1.439 64 HD1 PHE 6 HD1 PHE 6 0.607 1.004 -2.800 65 HD2 PHE 6 HD2 PHE 6 -3.651 1.207 -2.130 66 HE1 PHE 6 HE1 PHE 6 0.345 2.413 -4.823 67 HE2 PHE 6 HE2 PHE 6 -3.894 2.655 -4.122 68 HZ PHE 6 HZ PHE 6 -1.899 3.256 -5.478 Start of MODEL 5 1 H LYS 1 HN LYS 1 -2.539 -1.984 0.178 2 HA LYS 1 HA LYS 1 -3.225 -2.668 2.630 3 1HB LYS 1 HB2 LYS 1 -1.477 -4.669 1.136 4 2HB LYS 1 HB3 LYS 1 -2.917 -4.895 2.078 5 1HG LYS 1 HG2 LYS 1 -4.316 -3.852 0.316 6 2HG LYS 1 HG3 LYS 1 -2.859 -3.639 -0.684 7 1HD LYS 1 HD2 LYS 1 -2.461 -6.101 -0.605 8 2HD LYS 1 HD3 LYS 1 -3.970 -6.298 0.313 9 1HE LYS 1 HE2 LYS 1 -5.236 -5.309 -1.575 10 2HE LYS 1 HE3 LYS 1 -3.724 -5.114 -2.485 11 1HZ LYS 1 1HZ LYS 1 -4.879 -7.091 -3.123 12 2HZ LYS 1 2HZ LYS 1 -3.448 -7.486 -2.405 13 3HZ LYS 1 3HZ LYS 1 -4.862 -7.663 -1.575 14 H LYS 2 HN LYS 2 0.159 -2.920 1.540 15 HA LYS 2 HA LYS 2 1.145 -3.121 4.324 16 1HB LYS 2 HB2 LYS 2 1.646 -4.850 1.853 17 2HB LYS 2 HB3 LYS 2 2.814 -4.713 3.132 18 1HG LYS 2 HG2 LYS 2 1.147 -5.507 4.793 19 2HG LYS 2 HG3 LYS 2 -0.049 -5.684 3.489 20 1HD LYS 2 HD2 LYS 2 1.369 -7.337 2.357 21 2HD LYS 2 HD3 LYS 2 2.655 -7.101 3.561 22 1HE LYS 2 HE2 LYS 2 1.138 -7.909 5.341 23 2HE LYS 2 HE3 LYS 2 -0.137 -8.175 4.135 24 1HZ LYS 2 1HZ LYS 2 1.292 -9.751 3.062 25 2HZ LYS 2 2HZ LYS 2 2.493 -9.483 4.158 26 3HZ LYS 2 3HZ LYS 2 1.076 -10.173 4.642 27 H TRP 3 HN TRP 3 1.380 -1.234 1.385 28 HA TRP 3 HA TRP 3 3.889 -0.076 2.330 29 1HB TRP 3 HB2 TRP 3 4.471 -0.327 -0.358 30 2HB TRP 3 HB3 TRP 3 5.184 -1.261 0.939 31 HD1 TRP 3 HD1 TRP 3 4.680 -3.778 1.110 32 HE1 TRP 3 HE1 TRP 3 3.360 -5.487 -0.223 33 HE3 TRP 3 HE3 TRP 3 2.482 -0.623 -2.300 34 HZ2 TRP 3 HZ2 TRP 3 1.311 -5.471 -2.272 35 HZ3 TRP 3 HZ3 TRP 3 0.672 -1.492 -3.758 36 HH2 TRP 3 HH2 TRP 3 0.104 -3.897 -3.779 37 H TRP 4 HN TRP 4 3.926 2.035 1.852 38 HA TRP 4 HA TRP 4 3.146 4.072 1.372 39 1HB TRP 4 HB2 TRP 4 3.738 3.064 -0.922 40 2HB TRP 4 HB3 TRP 4 2.055 2.858 -1.179 41 HD1 TRP 4 HD1 TRP 4 4.255 5.799 0.134 42 HE1 TRP 4 HE1 TRP 4 3.759 7.938 -1.139 43 HE3 TRP 4 HE3 TRP 4 0.681 4.006 -3.003 44 HZ2 TRP 4 HZ2 TRP 4 2.061 8.772 -3.350 45 HZ3 TRP 4 HZ3 TRP 4 -0.358 5.483 -4.721 46 HH2 TRP 4 HH2 TRP 4 0.350 7.862 -4.915 47 H LYS 5 HN LYS 5 0.526 4.428 -0.342 48 HA LYS 5 HA LYS 5 -1.274 4.384 1.958 49 1HB LYS 5 HB2 LYS 5 -1.935 5.402 -0.820 50 2HB LYS 5 HB3 LYS 5 -2.754 5.610 0.713 51 1HG LYS 5 HG2 LYS 5 -0.728 6.962 1.535 52 2HG LYS 5 HG3 LYS 5 0.113 6.588 0.032 53 1HD LYS 5 HD2 LYS 5 -1.880 7.829 -1.116 54 2HD LYS 5 HD3 LYS 5 -2.106 8.569 0.471 55 1HE LYS 5 HE2 LYS 5 0.230 9.575 0.329 56 2HE LYS 5 HE3 LYS 5 0.508 8.588 -1.115 57 1HZ LYS 5 1HZ LYS 5 -1.209 9.816 -2.207 58 2HZ LYS 5 2HZ LYS 5 -1.485 10.714 -0.852 59 3HZ LYS 5 3HZ LYS 5 -0.038 10.825 -1.633 60 H PHE 6 HN PHE 6 -0.511 1.908 0.921 61 HA PHE 6 HA PHE 6 -3.086 0.642 0.088 62 1HB PHE 6 HB2 PHE 6 -0.360 -0.156 -0.973 63 2HB PHE 6 HB3 PHE 6 -1.879 -0.828 -1.413 64 HD1 PHE 6 HD1 PHE 6 -3.723 1.242 -2.038 65 HD2 PHE 6 HD2 PHE 6 0.504 0.990 -2.868 66 HE1 PHE 6 HE1 PHE 6 -4.025 2.688 -4.023 67 HE2 PHE 6 HE2 PHE 6 0.181 2.396 -4.884 68 HZ PHE 6 HZ PHE 6 -2.076 3.262 -5.456 Start of MODEL 6 1 H LYS 1 HN LYS 1 -2.527 -1.994 0.143 2 HA LYS 1 HA LYS 1 -3.218 -2.658 2.591 3 1HB LYS 1 HB2 LYS 1 -1.468 -4.653 1.089 4 2HB LYS 1 HB3 LYS 1 -2.877 -4.892 2.084 5 1HG LYS 1 HG2 LYS 1 -4.314 -3.797 0.343 6 2HG LYS 1 HG3 LYS 1 -2.882 -3.717 -0.711 7 1HD LYS 1 HD2 LYS 1 -2.632 -6.199 -0.520 8 2HD LYS 1 HD3 LYS 1 -4.106 -6.251 0.472 9 1HE LYS 1 HE2 LYS 1 -5.381 -5.249 -1.426 10 2HE LYS 1 HE3 LYS 1 -3.904 -5.289 -2.411 11 1HZ LYS 1 1HZ LYS 1 -5.256 -7.616 -1.238 12 2HZ LYS 1 2HZ LYS 1 -5.279 -7.179 -2.828 13 3HZ LYS 1 3HZ LYS 1 -3.868 -7.666 -2.126 14 H LYS 2 HN LYS 2 0.223 -2.968 1.565 15 HA LYS 2 HA LYS 2 1.100 -2.930 4.384 16 1HB LYS 2 HB2 LYS 2 1.681 -4.890 2.108 17 2HB LYS 2 HB3 LYS 2 2.758 -4.666 3.456 18 1HG LYS 2 HG2 LYS 2 0.849 -5.197 5.032 19 2HG LYS 2 HG3 LYS 2 -0.129 -5.603 3.607 20 1HD LYS 2 HD2 LYS 2 1.525 -7.345 2.971 21 2HD LYS 2 HD3 LYS 2 2.511 -6.919 4.389 22 1HE LYS 2 HE2 LYS 2 0.573 -7.480 5.864 23 2HE LYS 2 HE3 LYS 2 -0.336 -8.000 4.431 24 1HZ LYS 2 1HZ LYS 2 1.364 -9.638 4.040 25 2HZ LYS 2 2HZ LYS 2 2.192 -9.153 5.381 26 3HZ LYS 2 3HZ LYS 2 0.699 -9.834 5.537 27 H TRP 3 HN TRP 3 1.370 -1.224 1.396 28 HA TRP 3 HA TRP 3 3.938 -0.114 2.248 29 1HB TRP 3 HB2 TRP 3 4.448 -0.427 -0.437 30 2HB TRP 3 HB3 TRP 3 5.140 -1.390 0.851 31 HD1 TRP 3 HD1 TRP 3 4.497 -3.879 1.063 32 HE1 TRP 3 HE1 TRP 3 3.089 -5.528 -0.256 33 HE3 TRP 3 HE3 TRP 3 2.431 -0.632 -2.334 34 HZ2 TRP 3 HZ2 TRP 3 1.059 -5.428 -2.322 35 HZ3 TRP 3 HZ3 TRP 3 0.597 -1.426 -3.811 36 HH2 TRP 3 HH2 TRP 3 -0.070 -3.805 -3.840 37 H TRP 4 HN TRP 4 3.883 1.992 1.894 38 HA TRP 4 HA TRP 4 3.138 4.037 1.399 39 1HB TRP 4 HB2 TRP 4 3.736 3.032 -0.912 40 2HB TRP 4 HB3 TRP 4 2.059 2.866 -1.175 41 HD1 TRP 4 HD1 TRP 4 4.386 5.714 0.119 42 HE1 TRP 4 HE1 TRP 4 3.938 7.883 -1.122 43 HE3 TRP 4 HE3 TRP 4 0.619 4.102 -2.866 44 HZ2 TRP 4 HZ2 TRP 4 2.208 8.799 -3.280 45 HZ3 TRP 4 HZ3 TRP 4 -0.421 5.630 -4.551 46 HH2 TRP 4 HH2 TRP 4 0.400 7.971 -4.779 47 H LYS 5 HN LYS 5 0.526 4.457 -0.305 48 HA LYS 5 HA LYS 5 -1.281 4.405 1.981 49 1HB LYS 5 HB2 LYS 5 -1.948 5.363 -0.820 50 2HB LYS 5 HB3 LYS 5 -2.783 5.588 0.695 51 1HG LYS 5 HG2 LYS 5 -0.944 7.092 1.508 52 2HG LYS 5 HG3 LYS 5 0.100 6.586 0.182 53 1HD LYS 5 HD2 LYS 5 -1.666 7.636 -1.382 54 2HD LYS 5 HD3 LYS 5 -2.219 8.510 0.050 55 1HE LYS 5 HE2 LYS 5 -0.023 9.706 0.208 56 2HE LYS 5 HE3 LYS 5 0.686 8.509 -0.889 57 1HZ LYS 5 1HZ LYS 5 0.204 10.568 -1.951 58 2HZ LYS 5 2HZ LYS 5 -0.689 9.354 -2.618 59 3HZ LYS 5 3HZ LYS 5 -1.401 10.434 -1.595 60 H PHE 6 HN PHE 6 -0.513 1.908 0.921 61 HA PHE 6 HA PHE 6 -3.080 0.644 0.056 62 1HB PHE 6 HB2 PHE 6 -0.343 -0.147 -0.969 63 2HB PHE 6 HB3 PHE 6 -1.854 -0.798 -1.455 64 HD1 PHE 6 HD1 PHE 6 -3.632 1.434 -2.011 65 HD2 PHE 6 HD2 PHE 6 0.565 0.933 -2.882 66 HE1 PHE 6 HE1 PHE 6 -3.847 2.961 -3.944 67 HE2 PHE 6 HE2 PHE 6 0.323 2.414 -4.853 68 HZ PHE 6 HZ PHE 6 -1.876 3.448 -5.377 Start of MODEL 7 1 H LYS 1 HN LYS 1 -2.533 -1.976 0.161 2 HA LYS 1 HA LYS 1 -3.215 -2.630 2.617 3 1HB LYS 1 HB2 LYS 1 -1.506 -4.675 1.125 4 2HB LYS 1 HB3 LYS 1 -2.932 -4.861 2.090 5 1HG LYS 1 HG2 LYS 1 -4.313 -3.706 0.347 6 2HG LYS 1 HG3 LYS 1 -2.874 -3.669 -0.697 7 1HD LYS 1 HD2 LYS 1 -2.732 -6.150 -0.577 8 2HD LYS 1 HD3 LYS 1 -4.188 -6.175 0.444 9 1HE LYS 1 HE2 LYS 1 -5.463 -5.068 -1.390 10 2HE LYS 1 HE3 LYS 1 -4.012 -5.120 -2.410 11 1HZ LYS 1 1HZ LYS 1 -4.060 -7.505 -2.228 12 2HZ LYS 1 2HZ LYS 1 -5.416 -7.445 -1.293 13 3HZ LYS 1 3HZ LYS 1 -5.474 -6.941 -2.861 14 H LYS 2 HN LYS 2 0.190 -2.956 1.553 15 HA LYS 2 HA LYS 2 1.121 -3.018 4.357 16 1HB LYS 2 HB2 LYS 2 1.634 -4.901 2.002 17 2HB LYS 2 HB3 LYS 2 2.755 -4.732 3.321 18 1HG LYS 2 HG2 LYS 2 0.991 -5.355 4.957 19 2HG LYS 2 HG3 LYS 2 -0.163 -5.548 3.622 20 1HD LYS 2 HD2 LYS 2 1.230 -7.338 2.649 21 2HD LYS 2 HD3 LYS 2 2.419 -7.138 3.958 22 1HE LYS 2 HE2 LYS 2 0.690 -7.722 5.626 23 2HE LYS 2 HE3 LYS 2 -0.507 -7.909 4.330 24 1HZ LYS 2 1HZ LYS 2 0.414 -9.999 5.005 25 2HZ LYS 2 2HZ LYS 2 0.822 -9.676 3.440 26 3HZ LYS 2 3HZ LYS 2 1.941 -9.498 4.637 27 H TRP 3 HN TRP 3 1.385 -1.240 1.385 28 HA TRP 3 HA TRP 3 3.874 -0.066 2.348 29 1HB TRP 3 HB2 TRP 3 4.534 -0.337 -0.316 30 2HB TRP 3 HB3 TRP 3 5.212 -1.259 1.009 31 HD1 TRP 3 HD1 TRP 3 4.740 -3.778 1.165 32 HE1 TRP 3 HE1 TRP 3 3.458 -5.502 -0.185 33 HE3 TRP 3 HE3 TRP 3 2.536 -0.642 -2.260 34 HZ2 TRP 3 HZ2 TRP 3 1.451 -5.512 -2.273 35 HZ3 TRP 3 HZ3 TRP 3 0.758 -1.533 -3.742 36 HH2 TRP 3 HH2 TRP 3 0.238 -3.949 -3.791 37 H TRP 4 HN TRP 4 3.933 2.030 1.824 38 HA TRP 4 HA TRP 4 3.131 4.060 1.364 39 1HB TRP 4 HB2 TRP 4 3.708 3.093 -0.949 40 2HB TRP 4 HB3 TRP 4 2.021 2.862 -1.185 41 HD1 TRP 4 HD1 TRP 4 4.184 5.815 0.160 42 HE1 TRP 4 HE1 TRP 4 3.653 7.970 -1.071 43 HE3 TRP 4 HE3 TRP 4 0.639 4.026 -3.018 44 HZ2 TRP 4 HZ2 TRP 4 1.942 8.821 -3.260 45 HZ3 TRP 4 HZ3 TRP 4 -0.427 5.525 -4.702 46 HH2 TRP 4 HH2 TRP 4 0.247 7.923 -4.842 47 H LYS 5 HN LYS 5 0.510 4.462 -0.289 48 HA LYS 5 HA LYS 5 -1.285 4.328 2.013 49 1HB LYS 5 HB2 LYS 5 -1.946 5.429 -0.729 50 2HB LYS 5 HB3 LYS 5 -2.772 5.595 0.804 51 1HG LYS 5 HG2 LYS 5 -0.859 7.002 1.675 52 2HG LYS 5 HG3 LYS 5 0.113 6.586 0.265 53 1HD LYS 5 HD2 LYS 5 -1.765 7.768 -1.105 54 2HD LYS 5 HD3 LYS 5 -2.141 8.570 0.424 55 1HE LYS 5 HE2 LYS 5 0.145 9.625 0.457 56 2HE LYS 5 HE3 LYS 5 0.647 8.510 -0.825 57 1HZ LYS 5 1HZ LYS 5 -1.381 10.603 -1.083 58 2HZ LYS 5 2HZ LYS 5 0.172 10.679 -1.632 59 3HZ LYS 5 3HZ LYS 5 -0.881 9.588 -2.283 60 H PHE 6 HN PHE 6 -0.517 1.897 0.906 61 HA PHE 6 HA PHE 6 -3.097 0.645 0.082 62 1HB PHE 6 HB2 PHE 6 -0.379 -0.125 -1.023 63 2HB PHE 6 HB3 PHE 6 -1.881 -0.844 -1.419 64 HD1 PHE 6 HD1 PHE 6 0.390 1.208 -2.878 65 HD2 PHE 6 HD2 PHE 6 -3.844 0.983 -2.078 66 HE1 PHE 6 HE1 PHE 6 -0.076 2.596 -4.882 67 HE2 PHE 6 HE2 PHE 6 -4.295 2.400 -4.056 68 HZ PHE 6 HZ PHE 6 -2.411 3.207 -5.465 Start of MODEL 8 1 H LYS 1 HN LYS 1 -2.397 -2.041 0.028 2 HA LYS 1 HA LYS 1 -3.271 -2.610 2.474 3 1HB LYS 1 HB2 LYS 1 -1.397 -4.644 1.187 4 2HB LYS 1 HB3 LYS 1 -2.880 -4.858 2.047 5 1HG LYS 1 HG2 LYS 1 -2.653 -3.741 -0.763 6 2HG LYS 1 HG3 LYS 1 -3.098 -5.384 -0.312 7 1HD LYS 1 HD2 LYS 1 -5.131 -4.552 0.839 8 2HD LYS 1 HD3 LYS 1 -4.681 -2.885 0.437 9 1HE LYS 1 HE2 LYS 1 -6.298 -3.592 -1.144 10 2HE LYS 1 HE3 LYS 1 -4.747 -3.474 -1.988 11 1HZ LYS 1 1HZ LYS 1 -5.931 -5.452 -2.585 12 2HZ LYS 1 2HZ LYS 1 -4.548 -5.854 -1.781 13 3HZ LYS 1 3HZ LYS 1 -6.005 -5.947 -1.014 14 H LYS 2 HN LYS 2 0.179 -2.821 1.597 15 HA LYS 2 HA LYS 2 1.001 -2.843 4.444 16 1HB LYS 2 HB2 LYS 2 1.629 -4.738 2.131 17 2HB LYS 2 HB3 LYS 2 2.691 -4.550 3.492 18 1HG LYS 2 HG2 LYS 2 0.870 -5.209 5.050 19 2HG LYS 2 HG3 LYS 2 -0.219 -5.424 3.664 20 1HD LYS 2 HD2 LYS 2 1.298 -7.139 2.721 21 2HD LYS 2 HD3 LYS 2 2.383 -6.962 4.110 22 1HE LYS 2 HE2 LYS 2 -0.541 -7.808 4.287 23 2HE LYS 2 HE3 LYS 2 0.830 -8.931 4.246 24 1HZ LYS 2 1HZ LYS 2 1.640 -7.942 6.251 25 2HZ LYS 2 2HZ LYS 2 0.370 -6.891 6.301 26 3HZ LYS 2 3HZ LYS 2 0.108 -8.512 6.468 27 H TRP 3 HN TRP 3 1.462 -1.226 1.380 28 HA TRP 3 HA TRP 3 3.912 0.015 2.369 29 1HB TRP 3 HB2 TRP 3 4.716 -0.512 -0.210 30 2HB TRP 3 HB3 TRP 3 5.297 -1.325 1.229 31 HD1 TRP 3 HD1 TRP 3 4.718 -3.812 1.598 32 HE1 TRP 3 HE1 TRP 3 3.481 -5.620 0.318 33 HE3 TRP 3 HE3 TRP 3 2.887 -0.951 -2.242 34 HZ2 TRP 3 HZ2 TRP 3 1.614 -5.763 -1.897 35 HZ3 TRP 3 HZ3 TRP 3 1.183 -1.921 -3.773 36 HH2 TRP 3 HH2 TRP 3 0.570 -4.313 -3.635 37 H TRP 4 HN TRP 4 3.954 2.081 1.704 38 HA TRP 4 HA TRP 4 3.092 4.052 1.107 39 1HB TRP 4 HB2 TRP 4 3.509 3.026 -1.245 40 2HB TRP 4 HB3 TRP 4 1.815 2.764 -1.319 41 HD1 TRP 4 HD1 TRP 4 4.072 5.793 -0.376 42 HE1 TRP 4 HE1 TRP 4 3.300 7.873 -1.615 43 HE3 TRP 4 HE3 TRP 4 0.082 3.792 -2.791 44 HZ2 TRP 4 HZ2 TRP 4 1.258 8.564 -3.576 45 HZ3 TRP 4 HZ3 TRP 4 -1.262 5.169 -4.390 46 HH2 TRP 4 HH2 TRP 4 -0.644 7.543 -4.818 47 H LYS 5 HN LYS 5 0.356 4.535 -0.109 48 HA LYS 5 HA LYS 5 -1.168 4.297 2.324 49 1HB LYS 5 HB2 LYS 5 -2.223 5.077 -0.418 50 2HB LYS 5 HB3 LYS 5 -2.965 5.330 1.136 51 1HG LYS 5 HG2 LYS 5 -1.119 6.943 1.755 52 2HG LYS 5 HG3 LYS 5 -0.196 6.476 0.331 53 1HD LYS 5 HD2 LYS 5 -2.204 7.396 -1.030 54 2HD LYS 5 HD3 LYS 5 -2.590 8.288 0.447 55 1HE LYS 5 HE2 LYS 5 -0.367 9.495 0.308 56 2HE LYS 5 HE3 LYS 5 0.133 8.346 -0.944 57 1HZ LYS 5 1HZ LYS 5 -2.049 10.282 -1.173 58 2HZ LYS 5 2HZ LYS 5 -0.542 10.428 -1.827 59 3HZ LYS 5 3HZ LYS 5 -1.556 9.237 -2.351 60 H PHE 6 HN PHE 6 -0.549 2.046 -0.051 61 HA PHE 6 HA PHE 6 -3.058 0.611 -0.217 62 1HB PHE 6 HB2 PHE 6 -0.249 -0.196 -1.042 63 2HB PHE 6 HB3 PHE 6 -1.708 -0.943 -1.556 64 HD1 PHE 6 HD1 PHE 6 -3.501 1.336 -2.254 65 HD2 PHE 6 HD2 PHE 6 0.669 0.591 -3.094 66 HE1 PHE 6 HE1 PHE 6 -3.677 2.671 -4.324 67 HE2 PHE 6 HE2 PHE 6 0.470 1.908 -5.185 68 HZ PHE 6 HZ PHE 6 -1.700 2.952 -5.802 Start of MODEL 9 1 H LYS 1 HN LYS 1 -2.577 -2.015 0.210 2 HA LYS 1 HA LYS 1 -3.199 -2.556 2.729 3 1HB LYS 1 HB2 LYS 1 -1.733 -4.662 1.063 4 2HB LYS 1 HB3 LYS 1 -2.953 -4.826 2.284 5 1HG LYS 1 HG2 LYS 1 -4.628 -3.653 0.850 6 2HG LYS 1 HG3 LYS 1 -3.429 -3.628 -0.462 7 1HD LYS 1 HD2 LYS 1 -3.327 -6.094 -0.443 8 2HD LYS 1 HD3 LYS 1 -4.465 -6.144 0.922 9 1HE LYS 1 HE2 LYS 1 -6.177 -5.014 -0.478 10 2HE LYS 1 HE3 LYS 1 -5.051 -5.024 -1.850 11 1HZ LYS 1 1HZ LYS 1 -6.586 -6.847 -1.931 12 2HZ LYS 1 2HZ LYS 1 -5.046 -7.409 -1.741 13 3HZ LYS 1 3HZ LYS 1 -6.084 -7.397 -0.460 14 H LYS 2 HN LYS 2 0.169 -2.985 1.527 15 HA LYS 2 HA LYS 2 1.149 -3.059 4.313 16 1HB LYS 2 HB2 LYS 2 1.610 -4.947 1.960 17 2HB LYS 2 HB3 LYS 2 2.792 -4.744 3.221 18 1HG LYS 2 HG2 LYS 2 1.027 -5.304 4.940 19 2HG LYS 2 HG3 LYS 2 -0.079 -5.676 3.602 20 1HD LYS 2 HD2 LYS 2 1.457 -7.441 2.804 21 2HD LYS 2 HD3 LYS 2 2.615 -7.026 4.089 22 1HE LYS 2 HE2 LYS 2 0.878 -7.563 5.796 23 2HE LYS 2 HE3 LYS 2 -0.222 -8.061 4.495 24 1HZ LYS 2 1HZ LYS 2 0.920 -9.914 5.465 25 2HZ LYS 2 2HZ LYS 2 1.367 -9.738 3.887 26 3HZ LYS 2 3HZ LYS 2 2.389 -9.265 5.092 27 H TRP 3 HN TRP 3 1.354 -1.251 1.368 28 HA TRP 3 HA TRP 3 3.852 -0.081 2.335 29 1HB TRP 3 HB2 TRP 3 4.366 -0.245 -0.400 30 2HB TRP 3 HB3 TRP 3 5.186 -1.117 0.876 31 HD1 TRP 3 HD1 TRP 3 4.750 -3.671 1.145 32 HE1 TRP 3 HE1 TRP 3 3.540 -5.458 -0.189 33 HE3 TRP 3 HE3 TRP 3 2.455 -0.662 -2.324 34 HZ2 TRP 3 HZ2 TRP 3 1.546 -5.568 -2.289 35 HZ3 TRP 3 HZ3 TRP 3 0.703 -1.633 -3.797 36 HH2 TRP 3 HH2 TRP 3 0.278 -4.068 -3.824 37 H TRP 4 HN TRP 4 3.934 2.040 1.846 38 HA TRP 4 HA TRP 4 3.199 4.095 1.357 39 1HB TRP 4 HB2 TRP 4 3.745 3.008 -0.926 40 2HB TRP 4 HB3 TRP 4 2.058 2.866 -1.163 41 HD1 TRP 4 HD1 TRP 4 4.505 5.686 -0.037 42 HE1 TRP 4 HE1 TRP 4 4.072 7.828 -1.331 43 HE3 TRP 4 HE3 TRP 4 0.599 4.086 -2.833 44 HZ2 TRP 4 HZ2 TRP 4 2.265 8.735 -3.433 45 HZ3 TRP 4 HZ3 TRP 4 -0.485 5.598 -4.509 46 HH2 TRP 4 HH2 TRP 4 0.369 7.916 -4.825 47 H LYS 5 HN LYS 5 0.503 4.305 -0.415 48 HA LYS 5 HA LYS 5 -1.260 4.385 1.941 49 1HB LYS 5 HB2 LYS 5 -1.978 5.339 -0.840 50 2HB LYS 5 HB3 LYS 5 -2.752 5.587 0.706 51 1HG LYS 5 HG2 LYS 5 -0.801 7.032 1.435 52 2HG LYS 5 HG3 LYS 5 0.111 6.544 0.007 53 1HD LYS 5 HD2 LYS 5 -1.814 7.655 -1.344 54 2HD LYS 5 HD3 LYS 5 -2.152 8.524 0.156 55 1HE LYS 5 HE2 LYS 5 0.108 9.619 0.064 56 2HE LYS 5 HE3 LYS 5 0.603 8.433 -1.156 57 1HZ LYS 5 1HZ LYS 5 0.078 10.537 -2.092 58 2HZ LYS 5 2HZ LYS 5 -0.970 9.392 -2.648 59 3HZ LYS 5 3HZ LYS 5 -1.463 10.475 -1.506 60 H PHE 6 HN PHE 6 -0.496 1.893 0.918 61 HA PHE 6 HA PHE 6 -3.056 0.622 0.046 62 1HB PHE 6 HB2 PHE 6 -0.328 -0.247 -0.943 63 2HB PHE 6 HB3 PHE 6 -1.870 -0.801 -1.464 64 HD1 PHE 6 HD1 PHE 6 0.674 0.831 -2.812 65 HD2 PHE 6 HD2 PHE 6 -3.531 1.449 -2.075 66 HE1 PHE 6 HE1 PHE 6 0.531 2.283 -4.812 67 HE2 PHE 6 HE2 PHE 6 -3.651 2.949 -4.040 68 HZ PHE 6 HZ PHE 6 -1.625 3.359 -5.421 Start of MODEL 10 1 H LYS 1 HN LYS 1 -2.552 -2.002 0.211 2 HA LYS 1 HA LYS 1 -3.182 -2.488 2.759 3 1HB LYS 1 HB2 LYS 1 -1.799 -4.633 1.066 4 2HB LYS 1 HB3 LYS 1 -2.970 -4.769 2.337 5 1HG LYS 1 HG2 LYS 1 -4.670 -3.540 0.959 6 2HG LYS 1 HG3 LYS 1 -3.533 -3.610 -0.405 7 1HD LYS 1 HD2 LYS 1 -3.537 -6.082 -0.296 8 2HD LYS 1 HD3 LYS 1 -4.614 -6.027 1.117 9 1HE LYS 1 HE2 LYS 1 -6.330 -4.858 -0.259 10 2HE LYS 1 HE3 LYS 1 -5.270 -5.007 -1.676 11 1HZ LYS 1 1HZ LYS 1 -6.372 -7.234 -0.111 12 2HZ LYS 1 2HZ LYS 1 -6.902 -6.741 -1.591 13 3HZ LYS 1 3HZ LYS 1 -5.390 -7.381 -1.427 14 H LYS 2 HN LYS 2 0.156 -2.958 1.511 15 HA LYS 2 HA LYS 2 1.164 -3.181 4.283 16 1HB LYS 2 HB2 LYS 2 1.638 -4.897 1.799 17 2HB LYS 2 HB3 LYS 2 2.790 -4.796 3.098 18 1HG LYS 2 HG2 LYS 2 1.080 -5.548 4.732 19 2HG LYS 2 HG3 LYS 2 -0.111 -5.665 3.420 20 1HD LYS 2 HD2 LYS 2 1.255 -7.376 2.293 21 2HD LYS 2 HD3 LYS 2 2.505 -7.232 3.551 22 1HE LYS 2 HE2 LYS 2 0.870 -7.947 5.264 23 2HE LYS 2 HE3 LYS 2 -0.382 -8.093 4.015 24 1HZ LYS 2 1HZ LYS 2 0.942 -9.773 2.967 25 2HZ LYS 2 2HZ LYS 2 2.118 -9.628 4.114 26 3HZ LYS 2 3HZ LYS 2 0.626 -10.192 4.531 27 H TRP 3 HN TRP 3 1.387 -1.262 1.369 28 HA TRP 3 HA TRP 3 3.848 -0.073 2.397 29 1HB TRP 3 HB2 TRP 3 4.491 -0.285 -0.300 30 2HB TRP 3 HB3 TRP 3 5.233 -1.163 1.021 31 HD1 TRP 3 HD1 TRP 3 4.755 -3.702 1.279 32 HE1 TRP 3 HE1 TRP 3 3.587 -5.487 -0.092 33 HE3 TRP 3 HE3 TRP 3 2.593 -0.686 -2.266 34 HZ2 TRP 3 HZ2 TRP 3 1.633 -5.587 -2.224 35 HZ3 TRP 3 HZ3 TRP 3 0.827 -1.653 -3.740 36 HH2 TRP 3 HH2 TRP 3 0.389 -4.079 -3.771 37 H TRP 4 HN TRP 4 3.886 2.048 1.923 38 HA TRP 4 HA TRP 4 3.128 4.081 1.391 39 1HB TRP 4 HB2 TRP 4 3.795 3.034 -0.881 40 2HB TRP 4 HB3 TRP 4 2.123 2.835 -1.179 41 HD1 TRP 4 HD1 TRP 4 4.399 5.738 0.086 42 HE1 TRP 4 HE1 TRP 4 3.951 7.873 -1.214 43 HE3 TRP 4 HE3 TRP 4 0.695 4.019 -2.912 44 HZ2 TRP 4 HZ2 TRP 4 2.239 8.722 -3.414 45 HZ3 TRP 4 HZ3 TRP 4 -0.346 5.503 -4.640 46 HH2 TRP 4 HH2 TRP 4 0.451 7.845 -4.909 47 H LYS 5 HN LYS 5 0.522 4.444 -0.373 48 HA LYS 5 HA LYS 5 -1.301 4.497 1.895 49 1HB LYS 5 HB2 LYS 5 -1.954 5.233 -0.980 50 2HB LYS 5 HB3 LYS 5 -2.835 5.535 0.491 51 1HG LYS 5 HG2 LYS 5 -1.069 7.146 1.250 52 2HG LYS 5 HG3 LYS 5 0.026 6.591 -0.014 53 1HD LYS 5 HD2 LYS 5 -1.731 7.470 -1.687 54 2HD LYS 5 HD3 LYS 5 -2.363 8.410 -0.333 55 1HE LYS 5 HE2 LYS 5 -0.233 9.722 -0.202 56 2HE LYS 5 HE3 LYS 5 0.570 8.476 -1.173 57 1HZ LYS 5 1HZ LYS 5 -0.771 9.118 -3.014 58 2HZ LYS 5 2HZ LYS 5 -1.568 10.241 -2.108 59 3HZ LYS 5 3HZ LYS 5 0.042 10.420 -2.414 60 H PHE 6 HN PHE 6 -0.473 1.924 0.829 61 HA PHE 6 HA PHE 6 -3.035 0.627 0.006 62 1HB PHE 6 HB2 PHE 6 -0.293 -0.253 -0.916 63 2HB PHE 6 HB3 PHE 6 -1.826 -0.794 -1.477 64 HD1 PHE 6 HD1 PHE 6 -3.358 1.691 -2.033 65 HD2 PHE 6 HD2 PHE 6 0.733 0.608 -2.869 66 HE1 PHE 6 HE1 PHE 6 -3.363 3.176 -4.012 67 HE2 PHE 6 HE2 PHE 6 0.694 2.037 -4.888 68 HZ PHE 6 HZ PHE 6 -1.349 3.333 -5.459
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