NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
624119 | 6f3y | 34209 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H LYS 1 1.806 0.000 0.856 2 HA LYS 1 HA LYS 1 2.035 -0.992 -1.666 3 HB2 LYS 1 2HB LYS 1 0.743 1.583 -1.727 4 HB3 LYS 1 3HB LYS 1 2.285 1.664 -2.569 5 HG2 LYS 1 2HG LYS 1 1.012 0.997 -4.306 6 HG3 LYS 1 3HG LYS 1 1.351 -0.599 -3.631 7 HD2 LYS 1 2HD LYS 1 -0.914 -0.762 -3.798 8 HD3 LYS 1 3HD LYS 1 -0.815 -0.021 -2.199 9 HE2 LYS 1 2HE LYS 1 -1.100 2.196 -3.249 10 HE3 LYS 1 3HE LYS 1 -1.282 1.407 -4.816 11 HZ1 LYS 1 1HZ LYS 1 -3.364 2.045 -3.432 12 HZ2 LYS 1 2HZ LYS 1 -3.033 0.613 -2.594 13 HZ3 LYS 1 3HZ LYS 1 -3.327 0.569 -4.259 14 H ARG 2 H ARG 2 3.029 1.819 0.254 15 HA ARG 2 HA ARG 2 5.825 1.240 -0.462 16 HB2 ARG 2 2HB ARG 2 4.331 3.736 0.034 17 HB3 ARG 2 3HB ARG 2 5.938 3.670 0.746 18 HG2 ARG 2 2HG ARG 2 6.718 4.330 -1.221 19 HG3 ARG 2 3HG ARG 2 6.300 2.729 -1.835 20 HD2 ARG 2 2HD ARG 2 4.315 3.466 -2.774 21 HD3 ARG 2 3HD ARG 2 4.224 4.876 -1.720 22 HE ARG 2 HE ARG 2 5.515 4.716 -4.256 23 HH11 ARG 2 1HH1 ARG 2 5.663 6.245 -1.132 24 HH12 ARG 2 2HH1 ARG 2 6.496 7.648 -1.714 25 HH21 ARG 2 1HH2 ARG 2 6.611 6.559 -5.034 26 HH22 ARG 2 2HH2 ARG 2 7.034 7.826 -3.934 27 HA PRO 3 HA PRO 3 6.854 0.117 3.651 28 HB2 PRO 3 2HB PRO 3 9.292 1.266 3.983 29 HB3 PRO 3 3HB PRO 3 9.025 -0.136 2.940 30 HG2 PRO 3 2HG PRO 3 9.258 2.756 2.203 31 HG3 PRO 3 3HG PRO 3 9.963 1.338 1.406 32 HD2 PRO 3 2HD PRO 3 7.733 2.567 0.485 33 HD3 PRO 3 3HD PRO 3 8.002 0.821 0.311 34 HA PRO 4 HA PRO 4 5.891 3.223 6.610 35 HB2 PRO 4 2HB PRO 4 7.422 2.520 8.739 36 HB3 PRO 4 3HB PRO 4 6.004 1.596 8.228 37 HG2 PRO 4 2HG PRO 4 8.902 1.075 7.686 38 HG3 PRO 4 3HG PRO 4 7.626 -0.068 8.143 39 HD2 PRO 4 2HD PRO 4 8.481 0.215 5.589 40 HD3 PRO 4 3HD PRO 4 6.804 -0.206 5.994 41 H GLY 5 H GLY 5 6.498 5.252 7.197 42 HA2 GLY 5 2HA GLY 5 8.054 6.906 7.895 43 HA3 GLY 5 3HA GLY 5 9.354 5.916 7.249 44 H PHE 6 H PHE 6 7.623 5.529 4.766 45 HA PHE 6 HA PHE 6 8.706 7.792 3.340 46 HB2 PHE 6 2HB PHE 6 7.942 5.124 2.695 47 HB3 PHE 6 3HB PHE 6 7.019 6.216 1.667 48 HD1 PHE 6 HD1 PHE 6 8.280 7.937 0.309 49 HD2 PHE 6 HD2 PHE 6 10.186 4.663 2.250 50 HE1 PHE 6 HE1 PHE 6 10.235 8.209 -1.159 51 HE2 PHE 6 HE2 PHE 6 12.144 4.931 0.786 52 HZ PHE 6 HZ PHE 6 12.171 6.706 -0.921 53 H SER 7 H SER 7 7.580 9.400 2.301 54 HA SER 7 HA SER 7 4.676 9.507 2.771 55 HB2 SER 7 2HB SER 7 6.760 11.379 3.655 56 HB3 SER 7 3HB SER 7 5.413 12.151 2.819 57 HG SER 7 HG SER 7 4.026 11.393 4.336 58 HA PRO 8 HA PRO 8 4.194 10.628 -1.442 59 HB2 PRO 8 2HB PRO 8 2.193 12.460 -1.337 60 HB3 PRO 8 3HB PRO 8 1.931 10.734 -1.057 61 HG2 PRO 8 2HG PRO 8 2.241 12.950 0.932 62 HG3 PRO 8 3HG PRO 8 1.092 11.600 0.932 63 HD2 PRO 8 2HD PRO 8 3.337 11.603 2.446 64 HD3 PRO 8 3HD PRO 8 2.644 10.115 1.769 65 H PHE 9 H PHE 9 5.018 12.017 -2.924 66 HA PHE 9 HA PHE 9 5.289 14.814 -2.510 67 HB2 PHE 9 2HB PHE 9 7.104 13.912 -1.015 68 HB3 PHE 9 3HB PHE 9 7.880 13.261 -2.455 69 HD1 PHE 9 HD1 PHE 9 8.748 14.801 -4.189 70 HD2 PHE 9 HD2 PHE 9 7.265 16.204 -0.454 71 HE1 PHE 9 HE1 PHE 9 9.883 16.954 -4.551 72 HE2 PHE 9 HE2 PHE 9 8.397 18.359 -0.811 73 HZ PHE 9 HZ PHE 9 9.707 18.737 -2.862 Start of MODEL 2 1 H1 LYS 1 H LYS 1 -0.297 0.334 0.736 2 HA LYS 1 HA LYS 1 1.169 -0.807 -0.888 3 HB2 LYS 1 2HB LYS 1 -0.059 1.618 -1.255 4 HB3 LYS 1 3HB LYS 1 1.600 1.979 -1.715 5 HG2 LYS 1 2HG LYS 1 0.893 -0.483 -2.921 6 HG3 LYS 1 3HG LYS 1 -0.418 0.663 -3.215 7 HD2 LYS 1 2HD LYS 1 1.062 2.223 -4.230 8 HD3 LYS 1 3HD LYS 1 2.482 1.320 -3.697 9 HE2 LYS 1 2HE LYS 1 2.265 0.765 -5.956 10 HE3 LYS 1 3HE LYS 1 1.553 -0.605 -5.106 11 HZ1 LYS 1 1HZ LYS 1 -0.545 -0.045 -5.767 12 HZ2 LYS 1 2HZ LYS 1 0.329 0.502 -7.107 13 HZ3 LYS 1 3HZ LYS 1 -0.194 1.601 -5.932 14 H ARG 2 H ARG 2 2.646 2.241 0.244 15 HA ARG 2 HA ARG 2 5.285 1.186 -0.398 16 HB2 ARG 2 2HB ARG 2 4.147 3.874 0.163 17 HB3 ARG 2 3HB ARG 2 5.832 3.613 0.593 18 HG2 ARG 2 2HG ARG 2 5.352 2.591 -2.034 19 HG3 ARG 2 3HG ARG 2 4.766 4.252 -1.923 20 HD2 ARG 2 2HD ARG 2 7.059 4.676 -0.750 21 HD3 ARG 2 3HD ARG 2 7.532 3.183 -1.559 22 HE ARG 2 HE ARG 2 6.425 4.686 -3.539 23 HH11 ARG 2 1HH1 ARG 2 8.965 5.201 -1.215 24 HH12 ARG 2 2HH1 ARG 2 9.863 6.272 -2.238 25 HH21 ARG 2 1HH2 ARG 2 7.597 6.095 -4.896 26 HH22 ARG 2 2HH2 ARG 2 9.084 6.781 -4.332 27 HA PRO 3 HA PRO 3 6.505 0.151 3.686 28 HB2 PRO 3 2HB PRO 3 9.073 1.028 3.774 29 HB3 PRO 3 3HB PRO 3 8.571 -0.382 2.834 30 HG2 PRO 3 2HG PRO 3 9.064 2.425 1.920 31 HG3 PRO 3 3HG PRO 3 9.543 0.899 1.155 32 HD2 PRO 3 2HD PRO 3 7.397 2.331 0.332 33 HD3 PRO 3 3HD PRO 3 7.456 0.559 0.236 34 HA PRO 4 HA PRO 4 6.126 3.485 6.528 35 HB2 PRO 4 2HB PRO 4 7.733 2.714 8.575 36 HB3 PRO 4 3HB PRO 4 6.187 1.934 8.222 37 HG2 PRO 4 2HG PRO 4 8.957 1.060 7.500 38 HG3 PRO 4 3HG PRO 4 7.603 0.093 8.113 39 HD2 PRO 4 2HD PRO 4 8.280 0.155 5.492 40 HD3 PRO 4 3HD PRO 4 6.604 -0.052 6.041 41 H GLY 5 H GLY 5 7.022 5.439 7.052 42 HA2 GLY 5 2HA GLY 5 8.888 6.849 7.590 43 HA3 GLY 5 3HA GLY 5 9.922 5.767 6.670 44 H PHE 6 H PHE 6 7.696 5.740 4.562 45 HA PHE 6 HA PHE 6 8.822 7.800 2.941 46 HB2 PHE 6 2HB PHE 6 8.095 5.741 1.904 47 HB3 PHE 6 3HB PHE 6 6.455 5.971 2.501 48 HD1 PHE 6 HD1 PHE 6 8.916 8.082 0.647 49 HD2 PHE 6 HD2 PHE 6 4.976 6.484 0.836 50 HE1 PHE 6 HE1 PHE 6 8.336 9.276 -1.425 51 HE2 PHE 6 HE2 PHE 6 4.390 7.674 -1.236 52 HZ PHE 6 HZ PHE 6 6.071 9.072 -2.370 53 H SER 7 H SER 7 8.082 9.793 2.472 54 HA SER 7 HA SER 7 5.707 10.707 3.932 55 HB2 SER 7 2HB SER 7 8.295 11.853 3.405 56 HB3 SER 7 3HB SER 7 7.035 12.915 2.776 57 HG SER 7 HG SER 7 7.059 13.527 4.819 58 HA PRO 8 HA PRO 8 3.307 11.421 0.331 59 HB2 PRO 8 2HB PRO 8 2.094 13.784 0.893 60 HB3 PRO 8 3HB PRO 8 1.672 12.271 1.704 61 HG2 PRO 8 2HG PRO 8 3.438 14.497 2.647 62 HG3 PRO 8 3HG PRO 8 2.215 13.582 3.547 63 HD2 PRO 8 2HD PRO 8 4.865 13.063 3.749 64 HD3 PRO 8 3HD PRO 8 3.630 11.796 3.899 65 H PHE 9 H PHE 9 3.280 12.477 -1.641 66 HA PHE 9 HA PHE 9 5.114 14.758 -1.947 67 HB2 PHE 9 2HB PHE 9 5.175 12.127 -3.274 68 HB3 PHE 9 3HB PHE 9 5.335 13.504 -4.358 69 HD1 PHE 9 HD1 PHE 9 6.684 12.311 -1.089 70 HD2 PHE 9 HD2 PHE 9 7.450 14.274 -4.788 71 HE1 PHE 9 HE1 PHE 9 9.064 12.495 -0.495 72 HE2 PHE 9 HE2 PHE 9 9.832 14.459 -4.199 73 HZ PHE 9 HZ PHE 9 10.642 13.568 -2.051 Start of MODEL 3 1 H1 LYS 1 H LYS 1 1.168 1.363 -5.201 2 HA LYS 1 HA LYS 1 1.349 2.395 -3.153 3 HB2 LYS 1 2HB LYS 1 1.085 0.824 -1.300 4 HB3 LYS 1 3HB LYS 1 0.092 0.346 -2.671 5 HG2 LYS 1 2HG LYS 1 1.472 -1.462 -3.192 6 HG3 LYS 1 3HG LYS 1 2.811 -0.833 -2.230 7 HD2 LYS 1 2HD LYS 1 1.121 -1.087 -0.250 8 HD3 LYS 1 3HD LYS 1 0.318 -2.219 -1.341 9 HE2 LYS 1 2HE LYS 1 1.924 -3.771 -1.103 10 HE3 LYS 1 3HE LYS 1 3.220 -2.577 -1.146 11 HZ1 LYS 1 1HZ LYS 1 2.393 -1.997 1.203 12 HZ2 LYS 1 2HZ LYS 1 3.327 -3.392 0.996 13 HZ3 LYS 1 3HZ LYS 1 1.648 -3.515 1.163 14 H ARG 2 H ARG 2 2.650 2.771 -1.195 15 HA ARG 2 HA ARG 2 5.486 2.118 -1.659 16 HB2 ARG 2 2HB ARG 2 4.126 4.649 -0.881 17 HB3 ARG 2 3HB ARG 2 5.700 4.321 -0.171 18 HG2 ARG 2 2HG ARG 2 6.526 5.295 -1.995 19 HG3 ARG 2 3HG ARG 2 6.138 3.781 -2.814 20 HD2 ARG 2 2HD ARG 2 5.275 5.706 -4.046 21 HD3 ARG 2 3HD ARG 2 3.967 4.677 -3.464 22 HE ARG 2 HE ARG 2 3.246 6.397 -2.127 23 HH11 ARG 2 1HH1 ARG 2 6.441 7.110 -3.311 24 HH12 ARG 2 2HH1 ARG 2 6.434 8.742 -2.730 25 HH21 ARG 2 1HH2 ARG 2 3.224 8.544 -1.358 26 HH22 ARG 2 2HH2 ARG 2 4.603 9.557 -1.619 27 HA PRO 3 HA PRO 3 5.799 0.358 2.346 28 HB2 PRO 3 2HB PRO 3 8.235 1.219 3.179 29 HB3 PRO 3 3HB PRO 3 8.028 0.002 1.914 30 HG2 PRO 3 2HG PRO 3 8.579 2.933 1.651 31 HG3 PRO 3 3HG PRO 3 9.292 1.576 0.760 32 HD2 PRO 3 2HD PRO 3 7.321 3.121 -0.270 33 HD3 PRO 3 3HD PRO 3 7.486 1.398 -0.661 34 HA PRO 4 HA PRO 4 4.628 3.111 5.568 35 HB2 PRO 4 2HB PRO 4 5.766 1.987 7.762 36 HB3 PRO 4 3HB PRO 4 4.378 1.276 6.928 37 HG2 PRO 4 2HG PRO 4 7.279 0.566 6.723 38 HG3 PRO 4 3HG PRO 4 5.869 -0.505 6.825 39 HD2 PRO 4 2HD PRO 4 7.118 0.041 4.485 40 HD3 PRO 4 3HD PRO 4 5.373 -0.273 4.586 41 H GLY 5 H GLY 5 5.285 4.984 6.502 42 HA2 GLY 5 2HA GLY 5 6.849 6.354 7.673 43 HA3 GLY 5 3HA GLY 5 8.151 5.366 7.026 44 H PHE 6 H PHE 6 6.710 5.530 4.333 45 HA PHE 6 HA PHE 6 8.192 7.777 3.364 46 HB2 PHE 6 2HB PHE 6 6.904 5.464 2.249 47 HB3 PHE 6 3HB PHE 6 6.396 6.899 1.364 48 HD1 PHE 6 HD1 PHE 6 9.554 5.512 2.799 49 HD2 PHE 6 HD2 PHE 6 7.633 7.420 -0.486 50 HE1 PHE 6 HE1 PHE 6 11.672 5.483 1.547 51 HE2 PHE 6 HE2 PHE 6 9.748 7.393 -1.743 52 HZ PHE 6 HZ PHE 6 11.771 6.424 -0.727 53 H SER 7 H SER 7 7.526 9.792 2.939 54 HA SER 7 HA SER 7 4.639 10.359 3.113 55 HB2 SER 7 2HB SER 7 6.380 12.587 3.870 56 HB3 SER 7 3HB SER 7 4.957 11.942 4.687 57 HG SER 7 HG SER 7 7.648 11.301 5.013 58 HA PRO 8 HA PRO 8 4.903 12.509 -0.701 59 HB2 PRO 8 2HB PRO 8 3.260 14.632 -0.294 60 HB3 PRO 8 3HB PRO 8 2.664 12.978 -0.484 61 HG2 PRO 8 2HG PRO 8 3.104 14.557 2.022 62 HG3 PRO 8 3HG PRO 8 1.744 13.505 1.586 63 HD2 PRO 8 2HD PRO 8 3.743 12.699 3.226 64 HD3 PRO 8 3HD PRO 8 2.891 11.583 2.139 65 H PHE 9 H PHE 9 5.929 14.194 -1.763 66 HA PHE 9 HA PHE 9 7.113 16.312 -0.112 67 HB2 PHE 9 2HB PHE 9 9.275 16.035 -1.194 68 HB3 PHE 9 3HB PHE 9 8.799 14.528 -0.420 69 HD1 PHE 9 HD1 PHE 9 9.877 16.070 -3.432 70 HD2 PHE 9 HD2 PHE 9 7.711 12.743 -1.899 71 HE1 PHE 9 HE1 PHE 9 10.201 14.882 -5.563 72 HE2 PHE 9 HE2 PHE 9 8.032 11.549 -4.026 73 HZ PHE 9 HZ PHE 9 9.279 12.618 -5.861 Start of MODEL 4 1 H1 LYS 1 H LYS 1 1.067 2.320 -1.451 2 HA LYS 1 HA LYS 1 1.629 0.066 -1.090 3 HB2 LYS 1 2HB LYS 1 2.809 0.029 -3.867 4 HB3 LYS 1 3HB LYS 1 2.450 -1.347 -2.832 5 HG2 LYS 1 2HG LYS 1 0.013 -0.068 -3.105 6 HG3 LYS 1 3HG LYS 1 0.750 0.060 -4.704 7 HD2 LYS 1 2HD LYS 1 0.019 -2.020 -5.057 8 HD3 LYS 1 3HD LYS 1 1.287 -2.543 -3.947 9 HE2 LYS 1 2HE LYS 1 -1.487 -1.752 -3.075 10 HE3 LYS 1 3HE LYS 1 -1.007 -3.412 -3.426 11 HZ1 LYS 1 1HZ LYS 1 0.647 -3.278 -1.684 12 HZ2 LYS 1 2HZ LYS 1 -0.881 -2.911 -1.059 13 HZ3 LYS 1 3HZ LYS 1 0.229 -1.670 -1.361 14 H ARG 2 H ARG 2 3.000 2.375 -0.363 15 HA ARG 2 HA ARG 2 5.827 1.705 -0.799 16 HB2 ARG 2 2HB ARG 2 4.359 4.216 -0.229 17 HB3 ARG 2 3HB ARG 2 5.942 4.050 0.518 18 HG2 ARG 2 2HG ARG 2 6.971 4.503 -1.392 19 HG3 ARG 2 3HG ARG 2 6.030 3.288 -2.259 20 HD2 ARG 2 2HD ARG 2 4.774 5.900 -1.538 21 HD3 ARG 2 3HD ARG 2 5.862 5.809 -2.923 22 HE ARG 2 HE ARG 2 3.190 4.806 -2.766 23 HH11 ARG 2 1HH1 ARG 2 6.298 4.332 -4.261 24 HH12 ARG 2 2HH1 ARG 2 5.650 3.542 -5.660 25 HH21 ARG 2 1HH2 ARG 2 2.325 3.768 -4.604 26 HH22 ARG 2 2HH2 ARG 2 3.390 3.223 -5.855 27 HA PRO 3 HA PRO 3 6.455 0.327 3.318 28 HB2 PRO 3 2HB PRO 3 8.879 1.385 3.930 29 HB3 PRO 3 3HB PRO 3 8.674 0.051 2.788 30 HG2 PRO 3 2HG PRO 3 9.041 2.972 2.242 31 HG3 PRO 3 3HG PRO 3 9.782 1.580 1.430 32 HD2 PRO 3 2HD PRO 3 7.673 2.922 0.389 33 HD3 PRO 3 3HD PRO 3 7.915 1.181 0.138 34 HA PRO 4 HA PRO 4 5.303 3.291 6.354 35 HB2 PRO 4 2HB PRO 4 6.619 2.428 8.566 36 HB3 PRO 4 3HB PRO 4 5.232 1.574 7.879 37 HG2 PRO 4 2HG PRO 4 8.153 1.001 7.566 38 HG3 PRO 4 3HG PRO 4 6.815 -0.129 7.842 39 HD2 PRO 4 2HD PRO 4 7.902 0.271 5.395 40 HD3 PRO 4 3HD PRO 4 6.187 -0.123 5.625 41 H GLY 5 H GLY 5 5.905 5.260 7.131 42 HA2 GLY 5 2HA GLY 5 7.442 6.816 8.065 43 HA3 GLY 5 3HA GLY 5 8.764 5.840 7.443 44 H PHE 6 H PHE 6 7.174 5.687 4.828 45 HA PHE 6 HA PHE 6 8.553 7.747 3.489 46 HB2 PHE 6 2HB PHE 6 7.615 5.504 2.579 47 HB3 PHE 6 3HB PHE 6 6.122 6.405 2.342 48 HD1 PHE 6 HD1 PHE 6 6.251 8.545 0.944 49 HD2 PHE 6 HD2 PHE 6 9.297 5.572 0.983 50 HE1 PHE 6 HE1 PHE 6 7.102 9.393 -1.204 51 HE2 PHE 6 HE2 PHE 6 10.154 6.416 -1.163 52 HZ PHE 6 HZ PHE 6 9.056 8.329 -2.259 53 H SER 7 H SER 7 7.921 9.719 2.717 54 HA SER 7 HA SER 7 5.283 10.684 3.610 55 HB2 SER 7 2HB SER 7 7.993 11.869 3.833 56 HB3 SER 7 3HB SER 7 6.688 12.979 3.413 57 HG SER 7 HG SER 7 6.218 12.950 5.451 58 HA PRO 8 HA PRO 8 4.305 11.904 -0.487 59 HB2 PRO 8 2HB PRO 8 3.035 14.273 -0.108 60 HB3 PRO 8 3HB PRO 8 2.318 12.718 0.330 61 HG2 PRO 8 2HG PRO 8 3.703 14.721 2.070 62 HG3 PRO 8 3HG PRO 8 2.219 13.801 2.385 63 HD2 PRO 8 2HD PRO 8 4.619 13.096 3.421 64 HD3 PRO 8 3HD PRO 8 3.376 11.903 2.992 65 H PHE 9 H PHE 9 5.140 13.009 -2.199 66 HA PHE 9 HA PHE 9 6.409 15.552 -1.962 67 HB2 PHE 9 2HB PHE 9 8.060 13.686 -1.058 68 HB3 PHE 9 3HB PHE 9 8.353 13.436 -2.776 69 HD1 PHE 9 HD1 PHE 9 7.996 16.344 -0.457 70 HD2 PHE 9 HD2 PHE 9 10.186 14.512 -3.614 71 HE1 PHE 9 HE1 PHE 9 9.570 18.235 -0.458 72 HE2 PHE 9 HE2 PHE 9 11.763 16.400 -3.620 73 HZ PHE 9 HZ PHE 9 11.457 18.265 -2.040 Start of MODEL 5 1 H1 LYS 1 H LYS 1 3.544 1.924 -5.410 2 HA LYS 1 HA LYS 1 2.162 3.093 -3.084 3 HB2 LYS 1 2HB LYS 1 1.776 0.552 -3.957 4 HB3 LYS 1 3HB LYS 1 3.120 0.309 -2.849 5 HG2 LYS 1 2HG LYS 1 1.892 0.973 -1.006 6 HG3 LYS 1 3HG LYS 1 0.720 1.862 -1.981 7 HD2 LYS 1 2HD LYS 1 -0.335 -0.132 -1.171 8 HD3 LYS 1 3HD LYS 1 -0.060 -0.319 -2.905 9 HE2 LYS 1 2HE LYS 1 1.514 -1.941 -2.619 10 HE3 LYS 1 3HE LYS 1 2.061 -1.289 -1.074 11 HZ1 LYS 1 1HZ LYS 1 0.927 -3.405 -0.798 12 HZ2 LYS 1 2HZ LYS 1 -0.470 -2.779 -1.518 13 HZ3 LYS 1 3HZ LYS 1 0.066 -2.163 -0.036 14 H ARG 2 H ARG 2 3.357 2.751 -1.012 15 HA ARG 2 HA ARG 2 6.255 2.527 -1.341 16 HB2 ARG 2 2HB ARG 2 4.759 4.961 -0.556 17 HB3 ARG 2 3HB ARG 2 6.188 4.586 0.398 18 HG2 ARG 2 2HG ARG 2 7.589 5.164 -1.248 19 HG3 ARG 2 3HG ARG 2 6.594 4.407 -2.494 20 HD2 ARG 2 2HD ARG 2 5.841 6.998 -1.166 21 HD3 ARG 2 3HD ARG 2 6.849 6.930 -2.611 22 HE ARG 2 HE ARG 2 4.011 6.498 -2.453 23 HH11 ARG 2 1HH1 ARG 2 6.911 5.860 -4.272 24 HH12 ARG 2 2HH1 ARG 2 6.072 5.589 -5.763 25 HH21 ARG 2 1HH2 ARG 2 2.895 6.143 -4.410 26 HH22 ARG 2 2HH2 ARG 2 3.788 5.751 -5.841 27 HA PRO 3 HA PRO 3 6.183 0.395 2.492 28 HB2 PRO 3 2HB PRO 3 8.494 1.208 3.662 29 HB3 PRO 3 3HB PRO 3 8.453 0.115 2.273 30 HG2 PRO 3 2HG PRO 3 8.955 3.065 2.348 31 HG3 PRO 3 3HG PRO 3 9.793 1.811 1.415 32 HD2 PRO 3 2HD PRO 3 7.905 3.419 0.327 33 HD3 PRO 3 3HD PRO 3 8.154 1.743 -0.204 34 HA PRO 4 HA PRO 4 4.606 2.808 5.812 35 HB2 PRO 4 2HB PRO 4 5.530 1.495 8.001 36 HB3 PRO 4 3HB PRO 4 4.258 0.848 6.958 37 HG2 PRO 4 2HG PRO 4 7.181 0.203 7.003 38 HG3 PRO 4 3HG PRO 4 5.796 -0.893 6.851 39 HD2 PRO 4 2HD PRO 4 7.273 -0.107 4.722 40 HD3 PRO 4 3HD PRO 4 5.536 -0.454 4.603 41 H GLY 5 H GLY 5 5.109 4.575 7.023 42 HA2 GLY 5 2HA GLY 5 6.480 5.893 8.432 43 HA3 GLY 5 3HA GLY 5 7.870 4.943 7.927 44 H PHE 6 H PHE 6 6.808 5.286 5.067 45 HA PHE 6 HA PHE 6 8.460 7.502 4.409 46 HB2 PHE 6 2HB PHE 6 7.823 5.393 3.001 47 HB3 PHE 6 3HB PHE 6 6.445 6.367 2.501 48 HD1 PHE 6 HD1 PHE 6 10.154 6.586 2.795 49 HD2 PHE 6 HD2 PHE 6 6.655 7.704 0.644 50 HE1 PHE 6 HE1 PHE 6 11.554 7.684 1.095 51 HE2 PHE 6 HE2 PHE 6 8.049 8.803 -1.060 52 HZ PHE 6 HZ PHE 6 10.502 8.793 -0.836 53 H SER 7 H SER 7 7.872 9.489 3.446 54 HA SER 7 HA SER 7 5.198 10.418 4.248 55 HB2 SER 7 2HB SER 7 7.102 12.509 3.539 56 HB3 SER 7 3HB SER 7 6.154 12.306 5.012 57 HG SER 7 HG SER 7 7.861 11.538 5.950 58 HA PRO 8 HA PRO 8 3.984 11.277 0.122 59 HB2 PRO 8 2HB PRO 8 2.675 13.642 0.375 60 HB3 PRO 8 3HB PRO 8 2.021 12.113 0.974 61 HG2 PRO 8 2HG PRO 8 3.440 14.281 2.472 62 HG3 PRO 8 3HG PRO 8 1.999 13.359 2.937 63 HD2 PRO 8 2HD PRO 8 4.465 12.791 3.900 64 HD3 PRO 8 3HD PRO 8 3.232 11.541 3.634 65 H PHE 9 H PHE 9 4.536 12.407 -1.734 66 HA PHE 9 HA PHE 9 6.835 14.180 -1.457 67 HB2 PHE 9 2HB PHE 9 6.482 12.120 -3.122 68 HB3 PHE 9 3HB PHE 9 5.802 13.389 -4.134 69 HD1 PHE 9 HD1 PHE 9 7.280 15.541 -4.363 70 HD2 PHE 9 HD2 PHE 9 8.742 11.712 -3.214 71 HE1 PHE 9 HE1 PHE 9 9.546 16.199 -5.062 72 HE2 PHE 9 HE2 PHE 9 11.010 12.365 -3.910 73 HZ PHE 9 HZ PHE 9 11.414 14.611 -4.835 Start of MODEL 6 1 H1 LYS 1 H LYS 1 1.425 1.696 0.155 2 HA LYS 1 HA LYS 1 1.822 0.773 -2.530 3 HB2 LYS 1 2HB LYS 1 1.012 3.517 -2.077 4 HB3 LYS 1 3HB LYS 1 2.605 3.445 -2.819 5 HG2 LYS 1 2HG LYS 1 1.217 3.513 -4.651 6 HG3 LYS 1 3HG LYS 1 1.486 1.779 -4.461 7 HD2 LYS 1 2HD LYS 1 -0.719 2.373 -2.847 8 HD3 LYS 1 3HD LYS 1 -0.974 3.280 -4.339 9 HE2 LYS 1 2HE LYS 1 -1.942 1.248 -4.847 10 HE3 LYS 1 3HE LYS 1 -0.315 1.043 -5.493 11 HZ1 LYS 1 1HZ LYS 1 -0.726 0.240 -2.725 12 HZ2 LYS 1 2HZ LYS 1 0.211 -0.481 -3.934 13 HZ3 LYS 1 3HZ LYS 1 -1.462 -0.727 -3.902 14 H ARG 2 H ARG 2 3.040 2.997 -0.036 15 HA ARG 2 HA ARG 2 5.753 1.981 -0.564 16 HB2 ARG 2 2HB ARG 2 4.686 4.634 0.133 17 HB3 ARG 2 3HB ARG 2 6.119 4.164 1.037 18 HG2 ARG 2 2HG ARG 2 6.974 5.290 -0.800 19 HG3 ARG 2 3HG ARG 2 7.129 3.591 -1.251 20 HD2 ARG 2 2HD ARG 2 4.606 4.259 -2.137 21 HD3 ARG 2 3HD ARG 2 5.547 5.714 -2.463 22 HE ARG 2 HE ARG 2 5.739 3.200 -3.813 23 HH11 ARG 2 1HH1 ARG 2 7.510 6.048 -2.879 24 HH12 ARG 2 2HH1 ARG 2 8.663 5.912 -4.165 25 HH21 ARG 2 1HH2 ARG 2 7.251 3.010 -5.511 26 HH22 ARG 2 2HH2 ARG 2 8.514 4.184 -5.662 27 HA PRO 3 HA PRO 3 6.041 0.128 3.401 28 HB2 PRO 3 2HB PRO 3 8.586 0.716 4.142 29 HB3 PRO 3 3HB PRO 3 8.200 -0.450 2.871 30 HG2 PRO 3 2HG PRO 3 9.045 2.411 2.624 31 HG3 PRO 3 3HG PRO 3 9.575 1.003 1.685 32 HD2 PRO 3 2HD PRO 3 7.737 2.763 0.760 33 HD3 PRO 3 3HD PRO 3 7.704 1.039 0.339 34 HA PRO 4 HA PRO 4 5.296 2.931 6.706 35 HB2 PRO 4 2HB PRO 4 6.397 1.656 8.835 36 HB3 PRO 4 3HB PRO 4 4.910 1.108 8.051 37 HG2 PRO 4 2HG PRO 4 7.710 0.103 7.714 38 HG3 PRO 4 3HG PRO 4 6.201 -0.817 7.861 39 HD2 PRO 4 2HD PRO 4 7.404 -0.363 5.478 40 HD3 PRO 4 3HD PRO 4 5.642 -0.494 5.648 41 H GLY 5 H GLY 5 6.189 4.766 7.451 42 HA2 GLY 5 2HA GLY 5 7.919 5.955 8.614 43 HA3 GLY 5 3HA GLY 5 9.088 4.818 7.958 44 H PHE 6 H PHE 6 7.585 5.118 5.298 45 HA PHE 6 HA PHE 6 9.227 7.306 4.344 46 HB2 PHE 6 2HB PHE 6 8.877 5.026 3.182 47 HB3 PHE 6 3HB PHE 6 7.333 5.688 2.656 48 HD1 PHE 6 HD1 PHE 6 7.211 7.325 0.934 49 HD2 PHE 6 HD2 PHE 6 10.985 6.031 2.415 50 HE1 PHE 6 HE1 PHE 6 8.328 8.422 -0.964 51 HE2 PHE 6 HE2 PHE 6 12.109 7.126 0.520 52 HZ PHE 6 HZ PHE 6 10.780 8.325 -1.172 53 H SER 7 H SER 7 8.542 9.275 3.744 54 HA SER 7 HA SER 7 5.739 9.929 4.224 55 HB2 SER 7 2HB SER 7 8.291 11.455 4.164 56 HB3 SER 7 3HB SER 7 6.829 12.323 3.695 57 HG SER 7 HG SER 7 7.432 11.074 6.153 58 HA PRO 8 HA PRO 8 4.572 10.436 0.027 59 HB2 PRO 8 2HB PRO 8 3.036 12.673 0.110 60 HB3 PRO 8 3HB PRO 8 2.513 11.123 0.780 61 HG2 PRO 8 2HG PRO 8 3.674 13.499 2.184 62 HG3 PRO 8 3HG PRO 8 2.314 12.469 2.667 63 HD2 PRO 8 2HD PRO 8 4.793 12.197 3.721 64 HD3 PRO 8 3HD PRO 8 3.694 10.821 3.499 65 H PHE 9 H PHE 9 5.334 11.320 -1.823 66 HA PHE 9 HA PHE 9 6.553 12.621 -3.234 67 HB2 PHE 9 2HB PHE 9 4.938 14.369 -1.882 68 HB3 PHE 9 3HB PHE 9 6.534 15.041 -1.564 69 HD1 PHE 9 HD1 PHE 9 3.827 15.096 -3.747 70 HD2 PHE 9 HD2 PHE 9 8.083 15.165 -3.725 71 HE1 PHE 9 HE1 PHE 9 3.818 16.152 -5.969 72 HE2 PHE 9 HE2 PHE 9 8.080 16.222 -5.947 73 HZ PHE 9 HZ PHE 9 5.946 16.718 -7.072 Start of MODEL 7 1 H1 LYS 1 H LYS 1 1.949 3.133 -4.111 2 HA LYS 1 HA LYS 1 1.150 1.916 -1.807 3 HB2 LYS 1 2HB LYS 1 1.546 -0.029 -3.945 4 HB3 LYS 1 3HB LYS 1 2.536 -0.370 -2.533 5 HG2 LYS 1 2HG LYS 1 -0.411 0.157 -2.327 6 HG3 LYS 1 3HG LYS 1 0.246 -1.453 -2.630 7 HD2 LYS 1 2HD LYS 1 1.745 -0.836 -0.536 8 HD3 LYS 1 3HD LYS 1 0.385 0.234 -0.183 9 HE2 LYS 1 2HE LYS 1 -1.140 -1.595 -0.137 10 HE3 LYS 1 3HE LYS 1 0.072 -2.701 -0.783 11 HZ1 LYS 1 1HZ LYS 1 1.333 -2.486 1.245 12 HZ2 LYS 1 2HZ LYS 1 -0.247 -2.966 1.612 13 HZ3 LYS 1 3HZ LYS 1 0.229 -1.363 1.864 14 H ARG 2 H ARG 2 2.628 2.877 -0.579 15 HA ARG 2 HA ARG 2 5.463 2.588 -1.328 16 HB2 ARG 2 2HB ARG 2 3.909 4.954 -0.462 17 HB3 ARG 2 3HB ARG 2 5.507 4.778 0.252 18 HG2 ARG 2 2HG ARG 2 6.159 5.918 -1.566 19 HG3 ARG 2 3HG ARG 2 6.089 4.335 -2.342 20 HD2 ARG 2 2HD ARG 2 3.769 4.815 -3.036 21 HD3 ARG 2 3HD ARG 2 3.912 6.422 -2.324 22 HE ARG 2 HE ARG 2 5.072 7.088 -4.174 23 HH11 ARG 2 1HH1 ARG 2 5.086 3.610 -4.032 24 HH12 ARG 2 2HH1 ARG 2 5.833 3.419 -5.583 25 HH21 ARG 2 1HH2 ARG 2 6.057 6.850 -6.218 26 HH22 ARG 2 2HH2 ARG 2 6.386 5.263 -6.826 27 HA PRO 3 HA PRO 3 6.290 0.796 2.590 28 HB2 PRO 3 2HB PRO 3 8.688 1.889 3.243 29 HB3 PRO 3 3HB PRO 3 8.499 0.681 1.967 30 HG2 PRO 3 2HG PRO 3 8.726 3.657 1.738 31 HG3 PRO 3 3HG PRO 3 9.495 2.398 0.755 32 HD2 PRO 3 2HD PRO 3 7.297 3.749 -0.067 33 HD3 PRO 3 3HD PRO 3 7.602 2.059 -0.517 34 HA PRO 4 HA PRO 4 5.122 3.354 5.970 35 HB2 PRO 4 2HB PRO 4 6.548 2.314 8.032 36 HB3 PRO 4 3HB PRO 4 5.175 1.479 7.296 37 HG2 PRO 4 2HG PRO 4 8.105 1.076 6.834 38 HG3 PRO 4 3HG PRO 4 6.825 -0.137 7.023 39 HD2 PRO 4 2HD PRO 4 7.810 0.578 4.604 40 HD3 PRO 4 3HD PRO 4 6.121 0.084 4.839 41 H GLY 5 H GLY 5 5.649 5.371 6.534 42 HA2 GLY 5 2HA GLY 5 7.073 6.947 7.629 43 HA3 GLY 5 3HA GLY 5 8.461 5.996 7.120 44 H PHE 6 H PHE 6 7.088 5.812 4.384 45 HA PHE 6 HA PHE 6 8.365 8.180 3.315 46 HB2 PHE 6 2HB PHE 6 7.637 5.553 2.330 47 HB3 PHE 6 3HB PHE 6 7.128 6.813 1.212 48 HD1 PHE 6 HD1 PHE 6 10.115 6.577 3.421 49 HD2 PHE 6 HD2 PHE 6 8.609 6.783 -0.555 50 HE1 PHE 6 HE1 PHE 6 12.415 6.735 2.561 51 HE2 PHE 6 HE2 PHE 6 10.906 6.941 -1.421 52 HZ PHE 6 HZ PHE 6 12.813 6.916 0.137 53 H SER 7 H SER 7 7.382 9.927 2.462 54 HA SER 7 HA SER 7 4.441 9.899 2.293 55 HB2 SER 7 2HB SER 7 5.164 12.542 2.833 56 HB3 SER 7 3HB SER 7 4.408 11.410 3.953 57 HG SER 7 HG SER 7 6.263 11.132 4.946 58 HA PRO 8 HA PRO 8 4.758 11.585 -1.743 59 HB2 PRO 8 2HB PRO 8 2.694 13.347 -1.807 60 HB3 PRO 8 3HB PRO 8 2.462 11.595 -1.817 61 HG2 PRO 8 2HG PRO 8 2.265 13.519 0.468 62 HG3 PRO 8 3HG PRO 8 1.203 12.160 0.055 63 HD2 PRO 8 2HD PRO 8 3.098 11.994 1.982 64 HD3 PRO 8 3HD PRO 8 2.624 10.603 0.987 65 H PHE 9 H PHE 9 5.450 13.368 -2.960 66 HA PHE 9 HA PHE 9 6.240 15.735 -1.392 67 HB2 PHE 9 2HB PHE 9 7.797 14.178 -3.445 68 HB3 PHE 9 3HB PHE 9 8.187 15.854 -3.077 69 HD1 PHE 9 HD1 PHE 9 9.409 12.817 -2.545 70 HD2 PHE 9 HD2 PHE 9 7.929 16.074 -0.238 71 HE1 PHE 9 HE1 PHE 9 10.766 12.074 -0.632 72 HE2 PHE 9 HE2 PHE 9 9.284 15.337 1.679 73 HZ PHE 9 HZ PHE 9 10.706 13.335 1.483 Start of MODEL 8 1 H1 LYS 1 H LYS 1 1.173 3.225 -1.012 2 HA LYS 1 HA LYS 1 0.528 0.562 -0.087 3 HB2 LYS 1 2HB LYS 1 1.152 -0.461 -2.308 4 HB3 LYS 1 3HB LYS 1 -0.409 0.347 -2.263 5 HG2 LYS 1 2HG LYS 1 0.180 1.654 -3.946 6 HG3 LYS 1 3HG LYS 1 1.590 2.225 -3.052 7 HD2 LYS 1 2HD LYS 1 2.783 0.146 -3.795 8 HD3 LYS 1 3HD LYS 1 1.404 -0.193 -4.844 9 HE2 LYS 1 2HE LYS 1 2.221 2.508 -5.245 10 HE3 LYS 1 3HE LYS 1 3.641 1.469 -5.353 11 HZ1 LYS 1 1HZ LYS 1 1.988 1.928 -7.387 12 HZ2 LYS 1 2HZ LYS 1 1.283 0.526 -6.756 13 HZ3 LYS 1 3HZ LYS 1 2.906 0.515 -7.235 14 H ARG 2 H ARG 2 2.417 2.436 0.782 15 HA ARG 2 HA ARG 2 4.942 1.172 -0.062 16 HB2 ARG 2 2HB ARG 2 4.223 3.997 0.427 17 HB3 ARG 2 3HB ARG 2 5.771 3.483 1.084 18 HG2 ARG 2 2HG ARG 2 6.678 3.091 -0.989 19 HG3 ARG 2 3HG ARG 2 5.105 2.833 -1.746 20 HD2 ARG 2 2HD ARG 2 5.386 5.508 -0.649 21 HD3 ARG 2 3HD ARG 2 6.623 5.143 -1.850 22 HE ARG 2 HE ARG 2 4.229 4.325 -2.948 23 HH11 ARG 2 1HH1 ARG 2 5.607 7.303 -1.783 24 HH12 ARG 2 2HH1 ARG 2 4.697 8.300 -2.868 25 HH21 ARG 2 1HH2 ARG 2 3.025 5.628 -4.381 26 HH22 ARG 2 2HH2 ARG 2 3.228 7.347 -4.345 27 HA PRO 3 HA PRO 3 5.698 -0.133 4.058 28 HB2 PRO 3 2HB PRO 3 8.366 0.291 4.329 29 HB3 PRO 3 3HB PRO 3 7.695 -0.996 3.319 30 HG2 PRO 3 2HG PRO 3 8.716 1.703 2.520 31 HG3 PRO 3 3HG PRO 3 8.978 0.131 1.741 32 HD2 PRO 3 2HD PRO 3 7.165 1.924 0.830 33 HD3 PRO 3 3HD PRO 3 6.929 0.170 0.687 34 HA PRO 4 HA PRO 4 5.704 3.164 6.968 35 HB2 PRO 4 2HB PRO 4 7.019 2.091 9.087 36 HB3 PRO 4 3HB PRO 4 5.389 1.595 8.616 37 HG2 PRO 4 2HG PRO 4 8.013 0.273 8.041 38 HG3 PRO 4 3HG PRO 4 6.477 -0.459 8.540 39 HD2 PRO 4 2HD PRO 4 7.325 -0.466 5.969 40 HD3 PRO 4 3HD PRO 4 5.606 -0.392 6.407 41 H GLY 5 H GLY 5 6.872 4.942 7.534 42 HA2 GLY 5 2HA GLY 5 8.901 6.019 8.236 43 HA3 GLY 5 3HA GLY 5 9.808 4.771 7.394 44 H PHE 6 H PHE 6 7.843 5.070 5.091 45 HA PHE 6 HA PHE 6 9.406 6.926 3.601 46 HB2 PHE 6 2HB PHE 6 8.057 4.801 2.828 47 HB3 PHE 6 3HB PHE 6 6.746 5.959 2.631 48 HD1 PHE 6 HD1 PHE 6 10.143 5.063 1.521 49 HD2 PHE 6 HD2 PHE 6 6.713 7.485 0.822 50 HE1 PHE 6 HE1 PHE 6 11.045 5.700 -0.678 51 HE2 PHE 6 HE2 PHE 6 7.609 8.125 -1.378 52 HZ PHE 6 HZ PHE 6 9.777 7.232 -2.131 53 H SER 7 H SER 7 8.892 8.948 2.831 54 HA SER 7 HA SER 7 6.637 10.266 4.183 55 HB2 SER 7 2HB SER 7 8.622 12.005 2.901 56 HB3 SER 7 3HB SER 7 7.960 12.063 4.534 57 HG SER 7 HG SER 7 10.312 11.494 4.165 58 HA PRO 8 HA PRO 8 4.578 11.179 0.419 59 HB2 PRO 8 2HB PRO 8 3.692 13.712 0.834 60 HB3 PRO 8 3HB PRO 8 3.008 12.307 1.661 61 HG2 PRO 8 2HG PRO 8 5.021 14.291 2.647 62 HG3 PRO 8 3HG PRO 8 3.628 13.595 3.495 63 HD2 PRO 8 2HD PRO 8 6.158 12.710 3.878 64 HD3 PRO 8 3HD PRO 8 4.745 11.640 3.987 65 H PHE 9 H PHE 9 5.028 11.916 -1.590 66 HA PHE 9 HA PHE 9 6.196 12.859 -3.299 67 HB2 PHE 9 2HB PHE 9 5.211 14.921 -1.770 68 HB3 PHE 9 3HB PHE 9 6.923 15.319 -1.880 69 HD1 PHE 9 HD1 PHE 9 7.681 16.504 -3.701 70 HD2 PHE 9 HD2 PHE 9 4.058 14.294 -4.029 71 HE1 PHE 9 HE1 PHE 9 7.321 17.434 -5.951 72 HE2 PHE 9 HE2 PHE 9 3.693 15.220 -6.279 73 HZ PHE 9 HZ PHE 9 5.325 16.791 -7.243 Start of MODEL 9 1 H1 LYS 1 H LYS 1 2.489 2.162 -4.725 2 HA LYS 1 HA LYS 1 1.426 2.163 -1.976 3 HB2 LYS 1 2HB LYS 1 2.150 -0.179 -3.735 4 HB3 LYS 1 3HB LYS 1 1.956 -0.321 -1.992 5 HG2 LYS 1 2HG LYS 1 -0.190 0.707 -3.832 6 HG3 LYS 1 3HG LYS 1 -0.041 -0.980 -3.334 7 HD2 LYS 1 2HD LYS 1 -0.004 0.064 -0.925 8 HD3 LYS 1 3HD LYS 1 -0.800 1.419 -1.729 9 HE2 LYS 1 2HE LYS 1 -2.552 0.065 -0.959 10 HE3 LYS 1 3HE LYS 1 -2.415 -0.310 -2.676 11 HZ1 LYS 1 1HZ LYS 1 -2.609 -2.362 -1.597 12 HZ2 LYS 1 2HZ LYS 1 -1.520 -1.939 -0.375 13 HZ3 LYS 1 3HZ LYS 1 -0.959 -2.225 -1.945 14 H ARG 2 H ARG 2 2.929 2.777 -0.580 15 HA ARG 2 HA ARG 2 5.719 1.969 -1.073 16 HB2 ARG 2 2HB ARG 2 4.572 4.623 -0.481 17 HB3 ARG 2 3HB ARG 2 6.002 4.201 0.452 18 HG2 ARG 2 2HG ARG 2 7.090 5.081 -1.299 19 HG3 ARG 2 3HG ARG 2 6.811 3.496 -2.023 20 HD2 ARG 2 2HD ARG 2 6.036 4.876 -3.686 21 HD3 ARG 2 3HD ARG 2 4.552 4.576 -2.782 22 HE ARG 2 HE ARG 2 4.513 6.785 -2.168 23 HH11 ARG 2 1HH1 ARG 2 7.642 6.005 -3.480 24 HH12 ARG 2 2HH1 ARG 2 8.180 7.651 -3.522 25 HH21 ARG 2 1HH2 ARG 2 5.209 8.956 -2.219 26 HH22 ARG 2 2HH2 ARG 2 6.795 9.329 -2.803 27 HA PRO 3 HA PRO 3 5.851 0.255 2.963 28 HB2 PRO 3 2HB PRO 3 8.347 0.916 3.802 29 HB3 PRO 3 3HB PRO 3 8.044 -0.299 2.555 30 HG2 PRO 3 2HG PRO 3 8.848 2.568 2.250 31 HG3 PRO 3 3HG PRO 3 9.447 1.140 1.386 32 HD2 PRO 3 2HD PRO 3 7.624 2.833 0.316 33 HD3 PRO 3 3HD PRO 3 7.642 1.095 -0.047 34 HA PRO 4 HA PRO 4 4.900 3.152 6.131 35 HB2 PRO 4 2HB PRO 4 5.921 1.970 8.351 36 HB3 PRO 4 3HB PRO 4 4.484 1.368 7.518 37 HG2 PRO 4 2HG PRO 4 7.313 0.406 7.348 38 HG3 PRO 4 3HG PRO 4 5.816 -0.537 7.455 39 HD2 PRO 4 2HD PRO 4 7.122 -0.140 5.117 40 HD3 PRO 4 3HD PRO 4 5.357 -0.300 5.209 41 H GLY 5 H GLY 5 5.736 5.046 6.763 42 HA2 GLY 5 2HA GLY 5 7.369 6.329 7.970 43 HA3 GLY 5 3HA GLY 5 8.590 5.167 7.472 44 H PHE 6 H PHE 6 7.373 5.227 4.694 45 HA PHE 6 HA PHE 6 9.047 7.353 3.706 46 HB2 PHE 6 2HB PHE 6 7.823 4.948 2.642 47 HB3 PHE 6 3HB PHE 6 7.604 6.312 1.551 48 HD1 PHE 6 HD1 PHE 6 9.182 6.506 -0.089 49 HD2 PHE 6 HD2 PHE 6 10.337 4.935 3.695 50 HE1 PHE 6 HE1 PHE 6 11.481 6.213 -0.916 51 HE2 PHE 6 HE2 PHE 6 12.637 4.641 2.874 52 HZ PHE 6 HZ PHE 6 13.212 5.281 0.567 53 H SER 7 H SER 7 8.441 9.275 2.872 54 HA SER 7 HA SER 7 5.553 9.852 2.759 55 HB2 SER 7 2HB SER 7 6.885 12.289 3.168 56 HB3 SER 7 3HB SER 7 5.899 11.408 4.335 57 HG SER 7 HG SER 7 7.701 10.491 5.179 58 HA PRO 8 HA PRO 8 6.035 11.317 -1.347 59 HB2 PRO 8 2HB PRO 8 4.390 13.477 -1.397 60 HB3 PRO 8 3HB PRO 8 3.792 11.815 -1.333 61 HG2 PRO 8 2HG PRO 8 4.113 13.800 0.885 62 HG3 PRO 8 3HG PRO 8 2.769 12.688 0.565 63 HD2 PRO 8 2HD PRO 8 4.672 12.176 2.422 64 HD3 PRO 8 3HD PRO 8 3.869 10.890 1.498 65 H PHE 9 H PHE 9 7.303 12.652 -2.549 66 HA PHE 9 HA PHE 9 8.841 14.247 -3.059 67 HB2 PHE 9 2HB PHE 9 7.506 15.914 -0.920 68 HB3 PHE 9 3HB PHE 9 8.482 16.497 -2.265 69 HD1 PHE 9 HD1 PHE 9 5.263 16.279 -1.126 70 HD2 PHE 9 HD2 PHE 9 7.547 15.500 -4.633 71 HE1 PHE 9 HE1 PHE 9 3.231 16.502 -2.495 72 HE2 PHE 9 HE2 PHE 9 5.519 15.723 -6.007 73 HZ PHE 9 HZ PHE 9 3.357 16.226 -4.939 Start of MODEL 10 1 H1 LYS 1 H LYS 1 2.195 3.948 -3.620 2 HA LYS 1 HA LYS 1 1.285 2.327 -1.467 3 HB2 LYS 1 2HB LYS 1 2.137 0.929 -4.008 4 HB3 LYS 1 3HB LYS 1 1.992 0.139 -2.443 5 HG2 LYS 1 2HG LYS 1 -0.422 0.890 -2.434 6 HG3 LYS 1 3HG LYS 1 -0.191 1.329 -4.128 7 HD2 LYS 1 2HD LYS 1 0.020 -0.856 -4.805 8 HD3 LYS 1 3HD LYS 1 0.611 -1.399 -3.233 9 HE2 LYS 1 2HE LYS 1 -1.440 -2.056 -2.695 10 HE3 LYS 1 3HE LYS 1 -2.017 -0.400 -2.873 11 HZ1 LYS 1 1HZ LYS 1 -1.904 -2.492 -4.973 12 HZ2 LYS 1 2HZ LYS 1 -2.261 -0.869 -5.286 13 HZ3 LYS 1 3HZ LYS 1 -3.289 -1.786 -4.304 14 H ARG 2 H ARG 2 2.877 3.210 -0.230 15 HA ARG 2 HA ARG 2 5.645 2.590 -1.026 16 HB2 ARG 2 2HB ARG 2 4.438 5.117 -0.171 17 HB3 ARG 2 3HB ARG 2 5.879 4.689 0.741 18 HG2 ARG 2 2HG ARG 2 7.252 5.023 -1.010 19 HG3 ARG 2 3HG ARG 2 6.086 4.404 -2.181 20 HD2 ARG 2 2HD ARG 2 4.869 6.468 -2.152 21 HD3 ARG 2 3HD ARG 2 5.846 7.080 -0.817 22 HE ARG 2 HE ARG 2 7.379 6.418 -3.154 23 HH11 ARG 2 1HH1 ARG 2 5.480 8.877 -1.582 24 HH12 ARG 2 2HH1 ARG 2 6.238 10.186 -2.426 25 HH21 ARG 2 1HH2 ARG 2 8.384 8.134 -4.273 26 HH22 ARG 2 2HH2 ARG 2 7.888 9.762 -3.957 27 HA PRO 3 HA PRO 3 6.204 0.496 2.788 28 HB2 PRO 3 2HB PRO 3 8.732 1.201 3.482 29 HB3 PRO 3 3HB PRO 3 8.374 0.100 2.146 30 HG2 PRO 3 2HG PRO 3 9.023 3.022 2.071 31 HG3 PRO 3 3HG PRO 3 9.606 1.719 1.018 32 HD2 PRO 3 2HD PRO 3 7.624 3.411 0.282 33 HD3 PRO 3 3HD PRO 3 7.686 1.721 -0.258 34 HA PRO 4 HA PRO 4 5.408 3.013 6.304 35 HB2 PRO 4 2HB PRO 4 6.670 1.673 8.299 36 HB3 PRO 4 3HB PRO 4 5.192 1.082 7.530 37 HG2 PRO 4 2HG PRO 4 8.036 0.291 7.029 38 HG3 PRO 4 3HG PRO 4 6.596 -0.735 7.162 39 HD2 PRO 4 2HD PRO 4 7.674 -0.042 4.778 40 HD3 PRO 4 3HD PRO 4 5.932 -0.302 4.998 41 H GLY 5 H GLY 5 6.221 4.741 7.411 42 HA2 GLY 5 2HA GLY 5 7.897 6.005 8.495 43 HA3 GLY 5 3HA GLY 5 9.117 4.983 7.750 44 H PHE 6 H PHE 6 7.589 5.344 5.129 45 HA PHE 6 HA PHE 6 9.088 7.659 4.277 46 HB2 PHE 6 2HB PHE 6 7.639 5.436 2.958 47 HB3 PHE 6 3HB PHE 6 7.721 6.950 2.064 48 HD1 PHE 6 HD1 PHE 6 9.293 6.762 0.403 49 HD2 PHE 6 HD2 PHE 6 10.165 5.185 4.259 50 HE1 PHE 6 HE1 PHE 6 11.567 6.196 -0.347 51 HE2 PHE 6 HE2 PHE 6 12.441 4.617 3.515 52 HZ PHE 6 HZ PHE 6 13.145 5.124 1.210 53 H SER 7 H SER 7 8.311 9.622 3.693 54 HA SER 7 HA SER 7 5.550 10.202 4.431 55 HB2 SER 7 2HB SER 7 6.714 12.599 3.669 56 HB3 SER 7 3HB SER 7 6.598 11.986 5.319 57 HG SER 7 HG SER 7 8.682 11.829 5.305 58 HA PRO 8 HA PRO 8 3.980 10.702 0.367 59 HB2 PRO 8 2HB PRO 8 2.405 12.900 0.611 60 HB3 PRO 8 3HB PRO 8 1.985 11.335 1.316 61 HG2 PRO 8 2HG PRO 8 3.216 13.731 2.622 62 HG3 PRO 8 3HG PRO 8 1.933 12.665 3.223 63 HD2 PRO 8 2HD PRO 8 4.506 12.449 4.037 64 HD3 PRO 8 3HD PRO 8 3.425 11.047 3.909 65 H PHE 9 H PHE 9 4.283 11.786 -1.568 66 HA PHE 9 HA PHE 9 6.509 13.563 -1.689 67 HB2 PHE 9 2HB PHE 9 5.883 11.852 -3.442 68 HB3 PHE 9 3HB PHE 9 4.574 12.928 -3.920 69 HD1 PHE 9 HD1 PHE 9 8.205 12.454 -3.847 70 HD2 PHE 9 HD2 PHE 9 5.010 14.961 -5.122 71 HE1 PHE 9 HE1 PHE 9 9.753 13.670 -5.323 72 HE2 PHE 9 HE2 PHE 9 6.553 16.180 -6.600 73 HZ PHE 9 HZ PHE 9 8.928 15.535 -6.703
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