NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
649943 | 6nm3 | 30558 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 1HT ARG 1 -6.787 0.701 2.337 2 H2 ARG 1 2HT ARG 1 -8.086 1.303 1.423 3 H3 ARG 1 3HT ARG 1 -7.195 2.344 2.428 4 HA ARG 1 HA ARG 1 -6.638 2.582 0.051 5 HB2 ARG 1 2HB ARG 1 -4.479 1.549 1.914 6 HB3 ARG 1 1HB ARG 1 -4.172 2.429 0.420 7 HG2 ARG 1 2HG ARG 1 -5.844 3.505 2.705 8 HG3 ARG 1 1HG ARG 1 -4.139 3.886 2.463 9 HD2 ARG 1 2HD ARG 1 -5.209 4.403 -0.030 10 HD3 ARG 1 1HD ARG 1 -6.510 4.912 1.039 11 HE ARG 1 HE ARG 1 -4.306 6.446 0.495 12 HH11 ARG 1 1HH1 ARG 1 -3.390 7.960 1.900 13 HH12 ARG 1 2HH1 ARG 1 -3.657 7.828 3.606 14 HH21 ARG 1 1HH2 ARG 1 -5.629 4.993 3.353 15 HH22 ARG 1 2HH2 ARG 1 -4.918 6.150 4.426 16 H LYS 2 H LYS 2 -4.142 0.327 0.520 17 HA LYS 2 HA LYS 2 -5.321 -1.984 -0.651 18 HB2 LYS 2 2HB LYS 2 -5.351 -0.345 -2.579 19 HB3 LYS 2 1HB LYS 2 -3.591 -0.404 -2.538 20 HG2 LYS 2 2HG LYS 2 -4.193 -3.075 -2.495 21 HG3 LYS 2 1HG LYS 2 -5.532 -2.452 -3.454 22 HD2 LYS 2 2HD LYS 2 -2.739 -1.554 -4.091 23 HD3 LYS 2 1HD LYS 2 -3.275 -3.141 -4.631 24 HE2 LYS 2 2HE LYS 2 -4.817 -0.590 -5.169 25 HE3 LYS 2 1HE LYS 2 -3.660 -1.285 -6.305 26 HZ1 LYS 2 1HZ LYS 2 -5.420 -2.423 -7.041 27 HZ2 LYS 2 2HZ LYS 2 -6.330 -2.148 -5.632 28 HZ3 LYS 2 3HZ LYS 2 -5.188 -3.405 -5.678 29 H ILE 3 H ILE 3 -2.202 -0.743 -1.641 30 HA ILE 3 HA ILE 3 -0.901 -2.732 0.130 31 HB ILE 3 HB ILE 3 0.769 -2.980 -1.645 32 HG12 ILE 3 2HG1 ILE 3 -1.004 -0.947 -2.988 33 HG13 ILE 3 1HG1 ILE 3 0.745 -0.932 -2.832 34 HG21 ILE 3 1HG2 ILE 3 -0.555 -4.396 -3.019 35 HG22 ILE 3 2HG2 ILE 3 -1.976 -3.382 -2.806 36 HG23 ILE 3 3HG2 ILE 3 -1.389 -4.357 -1.465 37 HD11 ILE 3 1HD1 ILE 3 0.293 -1.526 -5.100 38 HD12 ILE 3 2HD1 ILE 3 -0.923 -2.708 -4.620 39 HD13 ILE 3 3HD1 ILE 3 0.781 -3.013 -4.290 40 H TRP 4 H TRP 4 -1.474 0.355 -0.142 41 HA TRP 4 HA TRP 4 1.003 1.698 -0.117 42 HB2 TRP 4 2HB TRP 4 -1.660 2.538 1.019 43 HB3 TRP 4 1HB TRP 4 -0.323 3.607 0.529 44 HD1 TRP 4 HD TRP 4 -2.924 1.225 -0.918 45 HE1 TRP 4 1HE TRP 4 -2.958 1.486 -3.468 46 HE3 TRP 4 3HE TRP 4 1.022 4.380 -1.504 47 HZ2 TRP 4 2HZ TRP 4 -1.489 2.875 -5.509 48 HZ3 TRP 4 3HZ TRP 4 1.698 5.154 -3.746 49 HH2 TRP 4 HH TRP 4 0.445 4.414 -5.761 50 H TRP 5 H TRP 5 1.073 -0.492 1.794 51 HA TRP 5 HA TRP 5 1.522 1.101 4.251 52 HB2 TRP 5 2HB TRP 5 0.963 -1.688 4.724 53 HB3 TRP 5 1HB TRP 5 0.184 -0.269 5.407 54 HD1 TRP 5 HD TRP 5 0.268 -1.987 1.955 55 HE1 TRP 5 1HE TRP 5 -2.106 -2.157 1.072 56 HE3 TRP 5 3HE TRP 5 -2.233 0.407 5.692 57 HZ2 TRP 5 2HZ TRP 5 -4.742 -1.369 1.794 58 HZ3 TRP 5 3HZ TRP 5 -4.693 0.696 5.565 59 HH2 TRP 5 HH TRP 5 -5.952 -0.183 3.617 60 H TRP 6 H TRP 6 2.211 -2.142 3.003 61 HA TRP 6 HA TRP 6 4.601 -2.338 4.565 62 HB2 TRP 6 2HB TRP 6 4.745 -4.567 3.224 63 HB3 TRP 6 1HB TRP 6 3.476 -4.338 4.417 64 HD1 TRP 6 HD TRP 6 1.067 -3.535 3.412 65 HE1 TRP 6 1HE TRP 6 -0.041 -4.180 1.190 66 HE3 TRP 6 3HE TRP 6 5.131 -5.211 0.854 67 HZ2 TRP 6 2HZ TRP 6 0.681 -5.331 -1.333 68 HZ3 TRP 6 3HZ TRP 6 4.899 -6.103 -1.449 69 HH2 TRP 6 HH TRP 6 2.678 -6.155 -2.549 70 H TRP 7 H TRP 7 4.360 -2.966 1.034 71 HA TRP 7 HA TRP 7 7.080 -2.961 0.545 72 HB2 TRP 7 2HB TRP 7 6.534 -2.536 -1.805 73 HB3 TRP 7 1HB TRP 7 5.418 -3.696 -1.101 74 HD1 TRP 7 HD TRP 7 2.970 -2.866 -0.581 75 HE1 TRP 7 1HE TRP 7 1.630 -0.865 -1.424 76 HE3 TRP 7 3HE TRP 7 6.721 -0.124 -2.614 77 HZ2 TRP 7 2HZ TRP 7 2.078 1.602 -2.847 78 HZ3 TRP 7 3HZ TRP 7 6.261 2.044 -3.715 79 HH2 TRP 7 HH TRP 7 3.950 2.914 -3.820 80 H LEU 8 H LEU 8 5.664 -0.304 1.836 81 HA LEU 8 HA LEU 8 6.985 1.682 0.150 82 HB2 LEU 8 2HB LEU 8 5.861 2.349 2.846 83 HB3 LEU 8 1HB LEU 8 5.847 3.295 1.358 84 HG LEU 8 HG LEU 8 4.232 0.777 1.833 85 HD11 LEU 8 1HD1 LEU 8 2.871 2.189 2.968 86 HD12 LEU 8 2HD1 LEU 8 2.496 2.901 1.401 87 HD13 LEU 8 3HD1 LEU 8 3.744 3.613 2.417 88 HD21 LEU 8 1HD2 LEU 8 4.903 1.224 -0.525 89 HD22 LEU 8 2HD2 LEU 8 4.094 2.783 -0.426 90 HD23 LEU 8 3HD2 LEU 8 3.168 1.294 -0.261 91 HN1 NH2 9 1H NH2 9 7.626 -0.110 3.099 92 HN2 NH2 9 2H NH2 9 9.104 0.635 3.451 Start of MODEL 2 1 H1 ARG 1 1HT ARG 1 -5.406 3.015 -0.148 2 H2 ARG 1 2HT ARG 1 -4.685 1.693 0.639 3 H3 ARG 1 3HT ARG 1 -6.246 2.199 1.079 4 HA ARG 1 HA ARG 1 -7.235 1.307 -0.763 5 HB2 ARG 1 2HB ARG 1 -4.515 1.224 -2.088 6 HB3 ARG 1 1HB ARG 1 -6.067 0.887 -2.850 7 HG2 ARG 1 2HG ARG 1 -6.730 3.280 -2.136 8 HG3 ARG 1 1HG ARG 1 -5.017 3.529 -1.831 9 HD2 ARG 1 2HD ARG 1 -4.686 3.931 -4.016 10 HD3 ARG 1 1HD ARG 1 -5.217 2.300 -4.398 11 HE ARG 1 HE ARG 1 -6.575 4.583 -5.129 12 HH11 ARG 1 1HH1 ARG 1 -8.801 4.702 -5.487 13 HH12 ARG 1 2HH1 ARG 1 -9.859 3.543 -4.752 14 HH21 ARG 1 1HH2 ARG 1 -7.312 1.825 -3.162 15 HH22 ARG 1 2HH2 ARG 1 -9.017 1.918 -3.441 16 H LYS 2 H LYS 2 -3.939 -0.098 -0.884 17 HA LYS 2 HA LYS 2 -4.480 -2.227 0.882 18 HB2 LYS 2 2HB LYS 2 -4.755 -4.088 -0.668 19 HB3 LYS 2 1HB LYS 2 -6.064 -2.929 -0.870 20 HG2 LYS 2 2HG LYS 2 -3.576 -2.975 -2.594 21 HG3 LYS 2 1HG LYS 2 -5.081 -3.754 -3.040 22 HD2 LYS 2 2HD LYS 2 -6.119 -1.386 -2.575 23 HD3 LYS 2 1HD LYS 2 -4.460 -0.833 -2.814 24 HE2 LYS 2 2HE LYS 2 -4.466 -2.167 -4.986 25 HE3 LYS 2 1HE LYS 2 -6.208 -2.339 -4.767 26 HZ1 LYS 2 1HZ LYS 2 -6.566 -0.216 -5.314 27 HZ2 LYS 2 2HZ LYS 2 -5.015 -0.274 -6.008 28 HZ3 LYS 2 3HZ LYS 2 -5.226 0.354 -4.444 29 H ILE 3 H ILE 3 -2.436 -0.441 -0.955 30 HA ILE 3 HA ILE 3 -0.250 -2.391 -0.547 31 HB ILE 3 HB ILE 3 0.741 -1.739 -2.553 32 HG12 ILE 3 2HG1 ILE 3 -1.139 0.622 -2.430 33 HG13 ILE 3 1HG1 ILE 3 0.619 0.659 -2.426 34 HG21 ILE 3 1HG2 ILE 3 -0.891 -2.271 -4.177 35 HG22 ILE 3 2HG2 ILE 3 -2.176 -1.520 -3.233 36 HG23 ILE 3 3HG2 ILE 3 -1.455 -3.040 -2.695 37 HD11 ILE 3 1HD1 ILE 3 -1.260 0.337 -4.701 38 HD12 ILE 3 2HD1 ILE 3 0.204 -0.644 -4.764 39 HD13 ILE 3 3HD1 ILE 3 0.323 1.110 -4.651 40 H TRP 4 H TRP 4 -1.238 0.934 -0.439 41 HA TRP 4 HA TRP 4 1.117 2.241 0.088 42 HB2 TRP 4 2HB TRP 4 -1.509 3.041 1.302 43 HB3 TRP 4 1HB TRP 4 -0.217 4.080 0.666 44 HD1 TRP 4 HD TRP 4 -3.295 2.281 -0.385 45 HE1 TRP 4 1HE TRP 4 -3.493 2.283 -2.952 46 HE3 TRP 4 3HE TRP 4 1.311 4.069 -1.617 47 HZ2 TRP 4 2HZ TRP 4 -1.899 2.939 -5.220 48 HZ3 TRP 4 3HZ TRP 4 1.954 4.382 -3.983 49 HH2 TRP 4 HH TRP 4 0.349 3.829 -5.799 50 H TRP 5 H TRP 5 1.179 -0.157 1.751 51 HA TRP 5 HA TRP 5 1.666 1.217 4.323 52 HB2 TRP 5 2HB TRP 5 0.753 -1.511 4.644 53 HB3 TRP 5 1HB TRP 5 0.195 -0.053 5.451 54 HD1 TRP 5 HD TRP 5 -0.022 -1.554 1.929 55 HE1 TRP 5 1HE TRP 5 -2.388 -1.259 1.050 56 HE3 TRP 5 3HE TRP 5 -2.092 0.952 5.851 57 HZ2 TRP 5 2HZ TRP 5 -4.858 -0.094 1.862 58 HZ3 TRP 5 3HZ TRP 5 -4.470 1.652 5.769 59 HH2 TRP 5 HH TRP 5 -5.859 1.134 3.779 60 H TRP 6 H TRP 6 1.932 -2.015 2.925 61 HA TRP 6 HA TRP 6 4.267 -2.619 4.460 62 HB2 TRP 6 2HB TRP 6 4.104 -4.743 2.915 63 HB3 TRP 6 1HB TRP 6 2.929 -4.461 4.190 64 HD1 TRP 6 HD TRP 6 0.606 -3.278 3.386 65 HE1 TRP 6 1HE TRP 6 -0.670 -3.570 1.185 66 HE3 TRP 6 3HE TRP 6 4.295 -5.223 0.473 67 HZ2 TRP 6 2HZ TRP 6 -0.228 -4.565 -1.461 68 HZ3 TRP 6 3HZ TRP 6 3.843 -5.864 -1.879 69 HH2 TRP 6 HH TRP 6 1.587 -5.529 -2.853 70 H TRP 7 H TRP 7 3.945 -2.960 0.903 71 HA TRP 7 HA TRP 7 6.660 -3.257 0.411 72 HB2 TRP 7 2HB TRP 7 6.158 -2.734 -1.913 73 HB3 TRP 7 1HB TRP 7 4.896 -3.749 -1.234 74 HD1 TRP 7 HD TRP 7 2.578 -2.589 -0.669 75 HE1 TRP 7 1HE TRP 7 1.526 -0.416 -1.491 76 HE3 TRP 7 3HE TRP 7 6.666 -0.380 -2.693 77 HZ2 TRP 7 2HZ TRP 7 2.316 1.978 -2.910 78 HZ3 TRP 7 3HZ TRP 7 6.513 1.837 -3.784 79 HH2 TRP 7 HH TRP 7 4.343 3.022 -3.883 80 H LEU 8 H LEU 8 5.457 -0.460 1.718 81 HA LEU 8 HA LEU 8 7.049 1.371 0.096 82 HB2 LEU 8 2HB LEU 8 5.970 2.207 2.754 83 HB3 LEU 8 1HB LEU 8 6.051 3.103 1.240 84 HG LEU 8 HG LEU 8 4.188 0.767 1.724 85 HD11 LEU 8 1HD1 LEU 8 2.672 3.088 1.469 86 HD12 LEU 8 2HD1 LEU 8 4.016 3.593 2.485 87 HD13 LEU 8 3HD1 LEU 8 3.006 2.239 2.975 88 HD21 LEU 8 1HD2 LEU 8 4.014 2.903 -0.397 89 HD22 LEU 8 2HD2 LEU 8 3.171 1.360 -0.318 90 HD23 LEU 8 3HD2 LEU 8 4.901 1.403 -0.649 91 HN1 NH2 9 1H NH2 9 7.469 -0.605 2.915 92 HN2 NH2 9 2H NH2 9 8.973 0.014 3.373 Start of MODEL 3 1 H1 ARG 1 1HT ARG 1 -7.819 1.045 1.272 2 H2 ARG 1 2HT ARG 1 -8.129 2.395 0.288 3 H3 ARG 1 3HT ARG 1 -7.483 2.606 1.845 4 HA ARG 1 HA ARG 1 -5.967 2.700 -0.269 5 HB2 ARG 1 2HB ARG 1 -5.497 1.591 2.479 6 HB3 ARG 1 1HB ARG 1 -4.170 1.572 1.323 7 HG2 ARG 1 2HG ARG 1 -4.093 3.635 2.632 8 HG3 ARG 1 1HG ARG 1 -4.488 4.010 0.955 9 HD2 ARG 1 2HD ARG 1 -6.825 4.256 1.479 10 HD3 ARG 1 1HD ARG 1 -6.582 3.627 3.106 11 HE ARG 1 HE ARG 1 -4.946 5.815 3.006 12 HH11 ARG 1 1HH1 ARG 1 -5.634 7.900 3.588 13 HH12 ARG 1 2HH1 ARG 1 -7.313 8.313 3.489 14 HH21 ARG 1 1HH2 ARG 1 -8.283 5.187 2.340 15 HH22 ARG 1 2HH2 ARG 1 -8.813 6.775 2.782 16 H LYS 2 H LYS 2 -4.061 0.360 0.368 17 HA LYS 2 HA LYS 2 -5.304 -2.020 -0.574 18 HB2 LYS 2 2HB LYS 2 -5.389 -0.549 -2.624 19 HB3 LYS 2 1HB LYS 2 -3.629 -0.585 -2.620 20 HG2 LYS 2 2HG LYS 2 -4.185 -3.252 -2.379 21 HG3 LYS 2 1HG LYS 2 -5.564 -2.718 -3.337 22 HD2 LYS 2 2HD LYS 2 -2.808 -1.820 -4.122 23 HD3 LYS 2 1HD LYS 2 -3.328 -3.452 -4.530 24 HE2 LYS 2 2HE LYS 2 -3.822 -1.829 -6.351 25 HE3 LYS 2 1HE LYS 2 -5.287 -2.568 -5.704 26 HZ1 LYS 2 1HZ LYS 2 -5.929 -0.648 -4.702 27 HZ2 LYS 2 2HZ LYS 2 -5.076 0.017 -6.013 28 HZ3 LYS 2 3HZ LYS 2 -4.345 -0.082 -4.482 29 H ILE 3 H ILE 3 -2.204 -0.734 -1.620 30 HA ILE 3 HA ILE 3 -0.864 -2.714 0.129 31 HB ILE 3 HB ILE 3 0.823 -2.874 -1.655 32 HG12 ILE 3 2HG1 ILE 3 -1.106 -1.004 -3.029 33 HG13 ILE 3 1HG1 ILE 3 0.629 -0.808 -2.830 34 HG21 ILE 3 1HG2 ILE 3 -1.907 -3.441 -2.775 35 HG22 ILE 3 2HG2 ILE 3 -1.262 -4.359 -1.422 36 HG23 ILE 3 3HG2 ILE 3 -0.435 -4.384 -2.980 37 HD11 ILE 3 1HD1 ILE 3 -0.816 -2.749 -4.637 38 HD12 ILE 3 2HD1 ILE 3 0.894 -2.916 -4.244 39 HD13 ILE 3 3HD1 ILE 3 0.321 -1.481 -5.092 40 H TRP 4 H TRP 4 -1.471 0.393 -0.127 41 HA TRP 4 HA TRP 4 1.013 1.723 -0.076 42 HB2 TRP 4 2HB TRP 4 -1.610 2.612 1.116 43 HB3 TRP 4 1HB TRP 4 -0.277 3.645 0.544 44 HD1 TRP 4 HD TRP 4 -3.073 1.418 -0.706 45 HE1 TRP 4 1HE TRP 4 -3.214 1.588 -3.259 46 HE3 TRP 4 3HE TRP 4 1.078 4.216 -1.604 47 HZ2 TRP 4 2HZ TRP 4 -1.751 2.786 -5.422 48 HZ3 TRP 4 3HZ TRP 4 1.693 4.862 -3.908 49 HH2 TRP 4 HH TRP 4 0.281 4.156 -5.827 50 H TRP 5 H TRP 5 1.067 -0.483 1.807 51 HA TRP 5 HA TRP 5 1.505 1.089 4.273 52 HB2 TRP 5 2HB TRP 5 0.963 -1.695 4.754 53 HB3 TRP 5 1HB TRP 5 0.157 -0.281 5.411 54 HD1 TRP 5 HD TRP 5 0.300 -1.978 1.944 55 HE1 TRP 5 1HE TRP 5 -2.064 -2.202 1.053 56 HE3 TRP 5 3HE TRP 5 -2.276 0.284 5.709 57 HZ2 TRP 5 2HZ TRP 5 -4.722 -1.503 1.775 58 HZ3 TRP 5 3HZ TRP 5 -4.744 0.497 5.582 59 HH2 TRP 5 HH TRP 5 -5.972 -0.388 3.616 60 H TRP 6 H TRP 6 2.226 -2.137 3.009 61 HA TRP 6 HA TRP 6 4.632 -2.295 4.569 62 HB2 TRP 6 2HB TRP 6 4.774 -4.549 3.274 63 HB3 TRP 6 1HB TRP 6 3.512 -4.305 4.473 64 HD1 TRP 6 HD TRP 6 1.102 -3.480 3.447 65 HE1 TRP 6 1HE TRP 6 -0.022 -4.180 1.254 66 HE3 TRP 6 3HE TRP 6 5.130 -5.321 0.949 67 HZ2 TRP 6 2HZ TRP 6 0.676 -5.438 -1.231 68 HZ3 TRP 6 3HZ TRP 6 4.881 -6.289 -1.321 69 HH2 TRP 6 HH TRP 6 2.657 -6.340 -2.417 70 H TRP 7 H TRP 7 4.332 -2.990 1.059 71 HA TRP 7 HA TRP 7 7.042 -2.981 0.519 72 HB2 TRP 7 2HB TRP 7 6.441 -2.624 -1.830 73 HB3 TRP 7 1HB TRP 7 5.353 -3.775 -1.068 74 HD1 TRP 7 HD TRP 7 2.905 -2.988 -0.568 75 HE1 TRP 7 1HE TRP 7 1.521 -1.021 -1.410 76 HE3 TRP 7 3HE TRP 7 6.585 -0.180 -2.644 77 HZ2 TRP 7 2HZ TRP 7 1.905 1.445 -2.849 78 HZ3 TRP 7 3HZ TRP 7 6.071 1.971 -3.755 79 HH2 TRP 7 HH TRP 7 3.738 2.790 -3.849 80 H LEU 8 H LEU 8 5.617 -0.282 1.746 81 HA LEU 8 HA LEU 8 6.937 1.631 -0.028 82 HB2 LEU 8 2HB LEU 8 5.877 2.536 2.602 83 HB3 LEU 8 1HB LEU 8 5.735 3.278 1.010 84 HG LEU 8 HG LEU 8 4.239 0.795 1.882 85 HD11 LEU 8 1HD1 LEU 8 3.751 3.612 2.378 86 HD12 LEU 8 2HD1 LEU 8 2.853 2.214 2.951 87 HD13 LEU 8 3HD1 LEU 8 2.464 2.929 1.387 88 HD21 LEU 8 1HD2 LEU 8 4.777 1.299 -0.620 89 HD22 LEU 8 2HD2 LEU 8 3.555 2.552 -0.454 90 HD23 LEU 8 3HD2 LEU 8 3.136 0.867 -0.158 91 HN1 NH2 9 1H NH2 9 7.514 0.049 3.070 92 HN2 NH2 9 2H NH2 9 9.014 0.778 3.362 Start of MODEL 4 1 H1 ARG 1 1HT ARG 1 -5.945 1.895 1.503 2 H2 ARG 1 2HT ARG 1 -5.171 2.609 0.171 3 H3 ARG 1 3HT ARG 1 -4.524 1.207 0.881 4 HA ARG 1 HA ARG 1 -7.259 0.973 -0.042 5 HB2 ARG 1 2HB ARG 1 -4.924 1.284 -1.952 6 HB3 ARG 1 1HB ARG 1 -6.507 0.656 -2.402 7 HG2 ARG 1 2HG ARG 1 -6.329 3.317 -1.013 8 HG3 ARG 1 1HG ARG 1 -5.966 3.220 -2.735 9 HD2 ARG 1 2HD ARG 1 -8.534 2.323 -1.394 10 HD3 ARG 1 1HD ARG 1 -8.334 3.738 -2.422 11 HE ARG 1 HE ARG 1 -7.510 1.677 -4.010 12 HH11 ARG 1 1HH1 ARG 1 -8.919 0.515 -5.360 13 HH12 ARG 1 2HH1 ARG 1 -10.605 0.425 -4.971 14 HH21 ARG 1 1HH2 ARG 1 -10.316 2.347 -2.100 15 HH22 ARG 1 2HH2 ARG 1 -11.396 1.462 -3.125 16 H LYS 2 H LYS 2 -3.862 -0.102 -0.130 17 HA LYS 2 HA LYS 2 -4.182 -2.566 1.045 18 HB2 LYS 2 2HB LYS 2 -4.103 -3.971 -1.184 19 HB3 LYS 2 1HB LYS 2 -5.649 -3.474 -0.503 20 HG2 LYS 2 2HG LYS 2 -6.114 -2.132 -2.275 21 HG3 LYS 2 1HG LYS 2 -4.523 -1.382 -2.217 22 HD2 LYS 2 2HD LYS 2 -4.333 -2.415 -4.252 23 HD3 LYS 2 1HD LYS 2 -3.792 -3.752 -3.242 24 HE2 LYS 2 2HE LYS 2 -6.378 -4.306 -3.139 25 HE3 LYS 2 1HE LYS 2 -6.423 -3.358 -4.626 26 HZ1 LYS 2 1HZ LYS 2 -5.151 -5.935 -4.098 27 HZ2 LYS 2 2HZ LYS 2 -4.361 -4.882 -5.171 28 HZ3 LYS 2 3HZ LYS 2 -5.951 -5.386 -5.489 29 H ILE 3 H ILE 3 -2.596 -0.589 -1.268 30 HA ILE 3 HA ILE 3 -0.089 -2.088 -0.828 31 HB ILE 3 HB ILE 3 0.459 -1.897 -3.042 32 HG12 ILE 3 2HG1 ILE 3 -1.160 0.618 -2.906 33 HG13 ILE 3 1HG1 ILE 3 0.434 0.364 -3.610 34 HG21 ILE 3 1HG2 ILE 3 -1.426 -2.671 -4.269 35 HG22 ILE 3 2HG2 ILE 3 -2.533 -1.724 -3.278 36 HG23 ILE 3 3HG2 ILE 3 -1.735 -3.138 -2.596 37 HD11 ILE 3 1HD1 ILE 3 -0.790 -1.058 -5.385 38 HD12 ILE 3 2HD1 ILE 3 -0.983 0.694 -5.473 39 HD13 ILE 3 3HD1 ILE 3 -2.265 -0.299 -4.782 40 H TRP 4 H TRP 4 -1.252 0.303 0.622 41 HA TRP 4 HA TRP 4 0.960 2.178 0.050 42 HB2 TRP 4 2HB TRP 4 -1.712 2.859 1.279 43 HB3 TRP 4 1HB TRP 4 -0.471 3.985 0.697 44 HD1 TRP 4 HD TRP 4 -3.357 1.931 -0.468 45 HE1 TRP 4 1HE TRP 4 -3.545 2.032 -3.040 46 HE3 TRP 4 3HE TRP 4 1.054 4.235 -1.560 47 HZ2 TRP 4 2HZ TRP 4 -1.996 2.971 -5.257 48 HZ3 TRP 4 3HZ TRP 4 1.677 4.725 -3.906 49 HH2 TRP 4 HH TRP 4 0.152 4.101 -5.760 50 H TRP 5 H TRP 5 1.113 -0.127 1.796 51 HA TRP 5 HA TRP 5 1.708 1.307 4.301 52 HB2 TRP 5 2HB TRP 5 0.788 -1.397 4.725 53 HB3 TRP 5 1HB TRP 5 0.235 0.093 5.479 54 HD1 TRP 5 HD TRP 5 -0.035 -1.468 1.937 55 HE1 TRP 5 1HE TRP 5 -2.435 -1.224 1.144 56 HE3 TRP 5 3HE TRP 5 -2.056 0.978 5.943 57 HZ2 TRP 5 2HZ TRP 5 -4.902 -0.131 2.031 58 HZ3 TRP 5 3HZ TRP 5 -4.452 1.615 5.931 59 HH2 TRP 5 HH TRP 5 -5.882 1.064 3.979 60 H TRP 6 H TRP 6 1.889 -1.977 3.017 61 HA TRP 6 HA TRP 6 4.223 -2.586 4.531 62 HB2 TRP 6 2HB TRP 6 3.993 -4.744 3.016 63 HB3 TRP 6 1HB TRP 6 2.869 -4.413 4.325 64 HD1 TRP 6 HD TRP 6 0.530 -3.217 3.582 65 HE1 TRP 6 1HE TRP 6 -0.819 -3.512 1.421 66 HE3 TRP 6 3HE TRP 6 4.104 -5.242 0.584 67 HZ2 TRP 6 2HZ TRP 6 -0.461 -4.527 -1.232 68 HZ3 TRP 6 3HZ TRP 6 3.578 -5.891 -1.751 69 HH2 TRP 6 HH TRP 6 1.300 -5.529 -2.665 70 H TRP 7 H TRP 7 3.913 -3.019 0.978 71 HA TRP 7 HA TRP 7 6.646 -3.372 0.548 72 HB2 TRP 7 2HB TRP 7 6.168 -2.961 -1.813 73 HB3 TRP 7 1HB TRP 7 4.911 -3.961 -1.095 74 HD1 TRP 7 HD TRP 7 2.598 -2.785 -0.555 75 HE1 TRP 7 1HE TRP 7 1.518 -0.677 -1.463 76 HE3 TRP 7 3HE TRP 7 6.638 -0.647 -2.741 77 HZ2 TRP 7 2HZ TRP 7 2.254 1.652 -3.013 78 HZ3 TRP 7 3HZ TRP 7 6.444 1.512 -3.941 79 HH2 TRP 7 HH TRP 7 4.257 2.667 -4.068 80 H LEU 8 H LEU 8 5.427 -0.502 1.680 81 HA LEU 8 HA LEU 8 6.996 1.245 -0.042 82 HB2 LEU 8 2HB LEU 8 5.958 2.173 2.607 83 HB3 LEU 8 1HB LEU 8 6.053 3.034 1.075 84 HG LEU 8 HG LEU 8 4.156 0.735 1.597 85 HD11 LEU 8 1HD1 LEU 8 3.045 2.258 2.870 86 HD12 LEU 8 2HD1 LEU 8 2.647 3.044 1.346 87 HD13 LEU 8 3HD1 LEU 8 4.026 3.597 2.289 88 HD21 LEU 8 1HD2 LEU 8 4.820 1.260 -0.782 89 HD22 LEU 8 2HD2 LEU 8 4.100 2.852 -0.562 90 HD23 LEU 8 3HD2 LEU 8 3.098 1.408 -0.440 91 HN1 NH2 9 1H NH2 9 7.375 -0.436 3.016 92 HN2 NH2 9 2H NH2 9 8.934 0.131 3.341 Start of MODEL 5 1 H1 ARG 1 1HT ARG 1 -7.982 0.716 -1.223 2 H2 ARG 1 2HT ARG 1 -7.047 1.487 -2.413 3 H3 ARG 1 3HT ARG 1 -7.714 2.388 -1.138 4 HA ARG 1 HA ARG 1 -5.226 1.704 -1.081 5 HB2 ARG 1 2HB ARG 1 -6.780 1.140 1.435 6 HB3 ARG 1 1HB ARG 1 -5.284 2.051 1.234 7 HG2 ARG 1 2HG ARG 1 -6.779 3.798 1.522 8 HG3 ARG 1 1HG ARG 1 -6.829 3.638 -0.232 9 HD2 ARG 1 2HD ARG 1 -8.747 1.848 0.413 10 HD3 ARG 1 1HD ARG 1 -8.892 2.927 1.798 11 HE ARG 1 HE ARG 1 -8.855 4.624 -0.346 12 HH11 ARG 1 1HH1 ARG 1 -10.738 5.276 -1.436 13 HH12 ARG 1 2HH1 ARG 1 -12.147 4.269 -1.400 14 HH21 ARG 1 1HH2 ARG 1 -10.670 1.818 0.560 15 HH22 ARG 1 2HH2 ARG 1 -12.108 2.311 -0.270 16 H LYS 2 H LYS 2 -3.841 0.014 -0.275 17 HA LYS 2 HA LYS 2 -4.569 -2.454 0.715 18 HB2 LYS 2 2HB LYS 2 -4.357 -3.763 -1.549 19 HB3 LYS 2 1HB LYS 2 -5.912 -3.102 -1.063 20 HG2 LYS 2 2HG LYS 2 -5.967 -1.703 -2.845 21 HG3 LYS 2 1HG LYS 2 -4.362 -1.082 -2.478 22 HD2 LYS 2 2HD LYS 2 -3.959 -2.040 -4.541 23 HD3 LYS 2 1HD LYS 2 -3.581 -3.408 -3.498 24 HE2 LYS 2 2HE LYS 2 -6.142 -3.953 -3.754 25 HE3 LYS 2 1HE LYS 2 -6.021 -2.928 -5.185 26 HZ1 LYS 2 1HZ LYS 2 -4.631 -4.380 -6.227 27 HZ2 LYS 2 2HZ LYS 2 -5.538 -5.483 -5.307 28 HZ3 LYS 2 3HZ LYS 2 -3.994 -5.004 -4.784 29 H ILE 3 H ILE 3 -2.424 -0.472 -1.025 30 HA ILE 3 HA ILE 3 -0.241 -2.403 -0.531 31 HB ILE 3 HB ILE 3 0.738 -1.798 -2.553 32 HG12 ILE 3 2HG1 ILE 3 -1.099 0.602 -2.427 33 HG13 ILE 3 1HG1 ILE 3 0.659 0.602 -2.483 34 HG21 ILE 3 1HG2 ILE 3 -2.194 -1.555 -3.179 35 HG22 ILE 3 2HG2 ILE 3 -1.475 -3.076 -2.656 36 HG23 ILE 3 3HG2 ILE 3 -0.941 -2.319 -4.155 37 HD11 ILE 3 1HD1 ILE 3 0.057 1.147 -4.688 38 HD12 ILE 3 2HD1 ILE 3 -1.291 0.011 -4.697 39 HD13 ILE 3 3HD1 ILE 3 0.366 -0.587 -4.776 40 H TRP 4 H TRP 4 -1.237 0.919 -0.452 41 HA TRP 4 HA TRP 4 1.128 2.223 0.073 42 HB2 TRP 4 2HB TRP 4 -1.541 3.002 1.214 43 HB3 TRP 4 1HB TRP 4 -0.215 4.066 0.699 44 HD1 TRP 4 HD TRP 4 -3.132 2.128 -0.626 45 HE1 TRP 4 1HE TRP 4 -3.211 2.304 -3.192 46 HE3 TRP 4 3HE TRP 4 1.353 4.380 -1.462 47 HZ2 TRP 4 2HZ TRP 4 -1.560 3.295 -5.325 48 HZ3 TRP 4 3HZ TRP 4 2.086 4.932 -3.757 49 HH2 TRP 4 HH TRP 4 0.631 4.397 -5.698 50 H TRP 5 H TRP 5 1.161 -0.162 1.741 51 HA TRP 5 HA TRP 5 1.624 1.213 4.317 52 HB2 TRP 5 2HB TRP 5 0.725 -1.521 4.620 53 HB3 TRP 5 1HB TRP 5 0.159 -0.069 5.430 54 HD1 TRP 5 HD TRP 5 -0.060 -1.571 1.895 55 HE1 TRP 5 1HE TRP 5 -2.434 -1.294 1.039 56 HE3 TRP 5 3HE TRP 5 -2.111 0.949 5.820 57 HZ2 TRP 5 2HZ TRP 5 -4.907 -0.136 1.866 58 HZ3 TRP 5 3HZ TRP 5 -4.492 1.639 5.756 59 HH2 TRP 5 HH TRP 5 -5.895 1.103 3.781 60 H TRP 6 H TRP 6 1.925 -2.012 2.904 61 HA TRP 6 HA TRP 6 4.257 -2.600 4.459 62 HB2 TRP 6 2HB TRP 6 4.105 -4.736 2.932 63 HB3 TRP 6 1HB TRP 6 2.918 -4.444 4.193 64 HD1 TRP 6 HD TRP 6 0.600 -3.286 3.367 65 HE1 TRP 6 1HE TRP 6 -0.656 -3.590 1.158 66 HE3 TRP 6 3HE TRP 6 4.325 -5.216 0.491 67 HZ2 TRP 6 2HZ TRP 6 -0.185 -4.586 -1.483 68 HZ3 TRP 6 3HZ TRP 6 3.894 -5.863 -1.865 69 HH2 TRP 6 HH TRP 6 1.645 -5.542 -2.858 70 H TRP 7 H TRP 7 3.945 -2.969 0.900 71 HA TRP 7 HA TRP 7 6.656 -3.259 0.408 72 HB2 TRP 7 2HB TRP 7 6.163 -2.706 -1.916 73 HB3 TRP 7 1HB TRP 7 4.899 -3.728 -1.252 74 HD1 TRP 7 HD TRP 7 2.578 -2.582 -0.697 75 HE1 TRP 7 1HE TRP 7 1.529 -0.396 -1.491 76 HE3 TRP 7 3HE TRP 7 6.677 -0.335 -2.661 77 HZ2 TRP 7 2HZ TRP 7 2.324 2.027 -2.860 78 HZ3 TRP 7 3HZ TRP 7 6.529 1.900 -3.713 79 HH2 TRP 7 HH TRP 7 4.360 3.084 -3.802 80 H LEU 8 H LEU 8 5.505 -0.503 1.788 81 HA LEU 8 HA LEU 8 7.068 1.369 0.180 82 HB2 LEU 8 2HB LEU 8 5.983 2.112 2.870 83 HB3 LEU 8 1HB LEU 8 6.089 3.071 1.395 84 HG LEU 8 HG LEU 8 4.210 0.725 1.765 85 HD11 LEU 8 1HD1 LEU 8 2.693 3.038 1.532 86 HD12 LEU 8 2HD1 LEU 8 4.024 3.548 2.565 87 HD13 LEU 8 3HD1 LEU 8 3.022 2.184 3.034 88 HD21 LEU 8 1HD2 LEU 8 4.159 2.913 -0.317 89 HD22 LEU 8 2HD2 LEU 8 3.214 1.428 -0.275 90 HD23 LEU 8 3HD2 LEU 8 4.948 1.360 -0.574 91 HN1 NH2 9 1H NH2 9 7.462 -0.576 3.065 92 HN2 NH2 9 2H NH2 9 8.998 0.005 3.474
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