NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
624113 | 6f3x | 34208 | 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 1.820 -0.884 -1.799 3 HB2 LYS 1 2HB LYS 1 0.704 1.447 -1.978 4 HB3 LYS 1 3HB LYS 1 2.319 2.079 -1.685 5 HG2 LYS 1 2HG LYS 1 2.157 0.037 -3.786 6 HG3 LYS 1 3HG LYS 1 1.294 1.538 -4.130 7 HD2 LYS 1 2HD LYS 1 3.251 2.831 -3.935 8 HD3 LYS 1 3HD LYS 1 4.132 1.525 -3.139 9 HE2 LYS 1 2HE LYS 1 4.566 0.441 -5.097 10 HE3 LYS 1 3HE LYS 1 3.084 1.008 -5.866 11 HZ1 LYS 1 1HZ LYS 1 4.836 3.173 -5.310 12 HZ2 LYS 1 2HZ LYS 1 4.175 2.685 -6.788 13 HZ3 LYS 1 3HZ LYS 1 5.622 1.999 -6.242 14 H ARG 2 H ARG 2 3.419 1.453 0.356 15 HA ARG 2 HA ARG 2 6.034 0.911 -0.620 16 HB2 ARG 2 2HB ARG 2 4.843 2.476 1.590 17 HB3 ARG 2 3HB ARG 2 6.499 1.940 1.838 18 HG2 ARG 2 2HG ARG 2 6.659 2.922 -0.677 19 HG3 ARG 2 3HG ARG 2 5.422 3.972 0.018 20 HD2 ARG 2 2HD ARG 2 7.071 4.182 2.005 21 HD3 ARG 2 3HD ARG 2 8.270 3.588 0.857 22 HE ARG 2 HE ARG 2 7.023 5.653 -0.435 23 HH11 ARG 2 1HH1 ARG 2 8.737 5.278 2.572 24 HH12 ARG 2 2HH1 ARG 2 9.327 6.907 2.590 25 HH21 ARG 2 1HH2 ARG 2 7.794 7.800 -0.423 26 HH22 ARG 2 2HH2 ARG 2 8.789 8.341 0.886 27 HA PRO 3 HA PRO 3 7.247 -2.678 1.591 28 HB2 PRO 3 2HB PRO 3 9.807 -2.102 2.285 29 HB3 PRO 3 3HB PRO 3 9.319 -2.459 0.624 30 HG2 PRO 3 2HG PRO 3 9.794 0.192 1.931 31 HG3 PRO 3 3HG PRO 3 10.286 -0.366 0.321 32 HD2 PRO 3 2HD PRO 3 8.132 1.226 0.715 33 HD3 PRO 3 3HD PRO 3 8.205 0.023 -0.589 34 HA PRO 4 HA PRO 4 6.833 -2.272 5.950 35 HB2 PRO 4 2HB PRO 4 8.435 -4.251 6.891 36 HB3 PRO 4 3HB PRO 4 6.895 -4.565 6.083 37 HG2 PRO 4 2HG PRO 4 9.674 -4.684 4.976 38 HG3 PRO 4 3HG PRO 4 8.322 -5.806 4.731 39 HD2 PRO 4 2HD PRO 4 9.011 -3.932 2.901 40 HD3 PRO 4 3HD PRO 4 7.334 -4.465 3.138 41 H GLY 5 H GLY 5 7.670 -1.076 7.575 42 HA2 GLY 5 2HA GLY 5 9.323 -0.181 8.971 43 HA3 GLY 5 3HA GLY 5 10.552 -0.842 7.902 44 H PHE 6 H PHE 6 8.001 0.928 6.431 45 HA PHE 6 HA PHE 6 9.783 2.834 5.330 46 HB2 PHE 6 2HB PHE 6 7.852 3.801 4.281 47 HB3 PHE 6 3HB PHE 6 7.647 2.053 4.268 48 HD1 PHE 6 HD1 PHE 6 6.008 0.982 5.728 49 HD2 PHE 6 HD2 PHE 6 6.406 5.216 5.556 50 HE1 PHE 6 HE1 PHE 6 3.821 1.229 6.829 51 HE2 PHE 6 HE2 PHE 6 4.220 5.470 6.657 52 HZ PHE 6 HZ PHE 6 2.925 3.475 7.296 53 H SER 7 H SER 7 10.304 4.861 5.935 54 HA SER 7 HA SER 7 9.780 5.674 8.614 55 HB2 SER 7 2HB SER 7 11.508 6.504 6.432 56 HB3 SER 7 3HB SER 7 10.816 7.893 7.270 57 HG SER 7 HG SER 7 12.651 6.031 8.145 58 HA PRO 8 HA PRO 8 6.235 8.228 8.224 59 HB2 PRO 8 2HB PRO 8 6.845 10.329 9.830 60 HB3 PRO 8 3HB PRO 8 6.461 8.721 10.456 61 HG2 PRO 8 2HG PRO 8 9.134 10.002 10.037 62 HG3 PRO 8 3HG PRO 8 8.559 9.037 11.409 63 HD2 PRO 8 2HD PRO 8 10.136 8.008 9.463 64 HD3 PRO 8 3HD PRO 8 8.916 7.039 10.315 65 H PHE 9 H PHE 9 5.445 9.736 6.863 66 HA PHE 9 HA PHE 9 5.370 11.341 5.254 67 HB2 PHE 9 2HB PHE 9 6.790 12.454 7.437 68 HB3 PHE 9 3HB PHE 9 7.624 12.965 5.973 69 HD1 PHE 9 HD1 PHE 9 4.982 13.664 8.182 70 HD2 PHE 9 HD2 PHE 9 6.086 13.901 4.078 71 HE1 PHE 9 HE1 PHE 9 3.277 15.402 7.827 72 HE2 PHE 9 HE2 PHE 9 4.384 15.640 3.717 73 HZ PHE 9 HZ PHE 9 2.978 16.394 5.593 Start of MODEL 2 1 H1 LYS 1 H LYS 1 4.100 2.441 -5.064 2 HA LYS 1 HA LYS 1 4.205 2.720 -2.604 3 HB2 LYS 1 2HB LYS 1 3.864 -0.060 -3.713 4 HB3 LYS 1 3HB LYS 1 3.618 0.295 -2.008 5 HG2 LYS 1 2HG LYS 1 1.667 1.372 -2.371 6 HG3 LYS 1 3HG LYS 1 2.188 2.025 -3.926 7 HD2 LYS 1 2HD LYS 1 0.511 0.487 -4.476 8 HD3 LYS 1 3HD LYS 1 2.015 -0.384 -4.782 9 HE2 LYS 1 2HE LYS 1 0.697 -1.924 -3.626 10 HE3 LYS 1 3HE LYS 1 1.763 -1.264 -2.387 11 HZ1 LYS 1 1HZ LYS 1 -1.016 -1.310 -2.394 12 HZ2 LYS 1 2HZ LYS 1 -0.563 0.312 -2.553 13 HZ3 LYS 1 3HZ LYS 1 0.004 -0.601 -1.246 14 H ARG 2 H ARG 2 5.710 2.952 -1.099 15 HA ARG 2 HA ARG 2 8.287 1.759 -1.318 16 HB2 ARG 2 2HB ARG 2 6.922 3.562 0.625 17 HB3 ARG 2 3HB ARG 2 8.374 2.724 1.156 18 HG2 ARG 2 2HG ARG 2 9.697 4.093 0.011 19 HG3 ARG 2 3HG ARG 2 8.713 3.951 -1.447 20 HD2 ARG 2 2HD ARG 2 7.923 5.659 0.900 21 HD3 ARG 2 3HD ARG 2 8.899 6.265 -0.437 22 HE ARG 2 HE ARG 2 6.082 5.812 -0.438 23 HH11 ARG 2 1HH1 ARG 2 8.927 5.818 -2.444 24 HH12 ARG 2 2HH1 ARG 2 8.054 6.138 -3.906 25 HH21 ARG 2 1HH2 ARG 2 4.921 6.235 -2.356 26 HH22 ARG 2 2HH2 ARG 2 5.776 6.376 -3.855 27 HA PRO 3 HA PRO 3 7.887 -1.951 0.988 28 HB2 PRO 3 2HB PRO 3 10.198 -2.008 2.412 29 HB3 PRO 3 3HB PRO 3 10.138 -2.282 0.667 30 HG2 PRO 3 2HG PRO 3 10.852 0.206 2.170 31 HG3 PRO 3 3HG PRO 3 11.635 -0.505 0.747 32 HD2 PRO 3 2HD PRO 3 9.920 1.584 0.575 33 HD3 PRO 3 3HD PRO 3 10.068 0.362 -0.704 34 HA PRO 4 HA PRO 4 6.345 -1.324 5.058 35 HB2 PRO 4 2HB PRO 4 7.069 -3.610 6.331 36 HB3 PRO 4 3HB PRO 4 5.800 -3.555 5.102 37 HG2 PRO 4 2HG PRO 4 8.661 -4.394 4.835 38 HG3 PRO 4 3HG PRO 4 7.206 -5.152 4.163 39 HD2 PRO 4 2HD PRO 4 8.833 -3.564 2.693 40 HD3 PRO 4 3HD PRO 4 7.082 -3.656 2.414 41 H GLY 5 H GLY 5 6.898 -0.607 7.105 42 HA2 GLY 5 2HA GLY 5 8.331 -0.277 8.950 43 HA3 GLY 5 3HA GLY 5 9.675 -0.864 7.982 44 H PHE 6 H PHE 6 7.603 1.450 6.515 45 HA PHE 6 HA PHE 6 9.704 3.298 6.125 46 HB2 PHE 6 2HB PHE 6 8.053 4.706 5.069 47 HB3 PHE 6 3HB PHE 6 7.733 3.036 4.614 48 HD1 PHE 6 HD1 PHE 6 5.847 1.815 5.666 49 HD2 PHE 6 HD2 PHE 6 6.467 5.983 6.266 50 HE1 PHE 6 HE1 PHE 6 3.527 2.043 6.455 51 HE2 PHE 6 HE2 PHE 6 4.149 6.218 7.057 52 HZ PHE 6 HZ PHE 6 2.676 4.246 7.153 53 H SER 7 H SER 7 10.325 5.065 7.229 54 HA SER 7 HA SER 7 9.517 5.395 9.920 55 HB2 SER 7 2HB SER 7 10.815 7.738 9.307 56 HB3 SER 7 3HB SER 7 11.607 6.245 9.811 57 HG SER 7 HG SER 7 12.111 7.450 7.647 58 HA PRO 8 HA PRO 8 6.173 8.227 9.744 59 HB2 PRO 8 2HB PRO 8 6.714 9.903 11.811 60 HB3 PRO 8 3HB PRO 8 6.181 8.234 12.042 61 HG2 PRO 8 2HG PRO 8 8.947 9.373 12.160 62 HG3 PRO 8 3HG PRO 8 8.177 8.191 13.235 63 HD2 PRO 8 2HD PRO 8 9.900 7.471 11.273 64 HD3 PRO 8 3HD PRO 8 8.546 6.441 11.781 65 H PHE 9 H PHE 9 5.589 10.089 8.744 66 HA PHE 9 HA PHE 9 7.455 11.552 7.264 67 HB2 PHE 9 2HB PHE 9 4.751 11.314 7.215 68 HB3 PHE 9 3HB PHE 9 4.920 12.928 7.898 69 HD1 PHE 9 HD1 PHE 9 5.422 10.838 4.952 70 HD2 PHE 9 HD2 PHE 9 5.888 14.734 6.602 71 HE1 PHE 9 HE1 PHE 9 5.789 11.746 2.695 72 HE2 PHE 9 HE2 PHE 9 6.255 15.648 4.348 73 HZ PHE 9 HZ PHE 9 6.205 14.155 2.390 Start of MODEL 3 1 H1 LYS 1 H LYS 1 1.845 1.096 -0.349 2 HA LYS 1 HA LYS 1 2.918 0.232 -2.172 3 HB2 LYS 1 2HB LYS 1 3.255 3.142 -2.603 4 HB3 LYS 1 3HB LYS 1 4.402 2.101 -3.435 5 HG2 LYS 1 2HG LYS 1 2.894 1.505 -4.950 6 HG3 LYS 1 3HG LYS 1 1.691 1.135 -3.713 7 HD2 LYS 1 2HD LYS 1 2.313 3.970 -4.466 8 HD3 LYS 1 3HD LYS 1 1.180 3.005 -5.415 9 HE2 LYS 1 2HE LYS 1 0.917 3.281 -2.437 10 HE3 LYS 1 3HE LYS 1 0.230 4.471 -3.541 11 HZ1 LYS 1 1HZ LYS 1 -1.293 2.629 -2.805 12 HZ2 LYS 1 2HZ LYS 1 -0.365 1.578 -3.752 13 HZ3 LYS 1 3HZ LYS 1 -1.188 2.866 -4.477 14 H ARG 2 H ARG 2 4.643 2.360 -0.003 15 HA ARG 2 HA ARG 2 7.254 1.403 -0.591 16 HB2 ARG 2 2HB ARG 2 6.016 3.056 1.557 17 HB3 ARG 2 3HB ARG 2 7.593 2.346 1.872 18 HG2 ARG 2 2HG ARG 2 8.551 3.479 -0.004 19 HG3 ARG 2 3HG ARG 2 6.966 4.054 -0.523 20 HD2 ARG 2 2HD ARG 2 6.933 5.723 0.992 21 HD3 ARG 2 3HD ARG 2 7.712 4.746 2.236 22 HE ARG 2 HE ARG 2 9.633 5.304 0.311 23 HH11 ARG 2 1HH1 ARG 2 7.654 7.046 2.585 24 HH12 ARG 2 2HH1 ARG 2 8.799 8.329 2.796 25 HH21 ARG 2 1HH2 ARG 2 11.148 6.988 0.581 26 HH22 ARG 2 2HH2 ARG 2 10.785 8.296 1.655 27 HA PRO 3 HA PRO 3 7.519 -2.350 1.664 28 HB2 PRO 3 2HB PRO 3 10.002 -2.207 2.752 29 HB3 PRO 3 3HB PRO 3 9.723 -2.468 1.026 30 HG2 PRO 3 2HG PRO 3 10.412 0.061 2.472 31 HG3 PRO 3 3HG PRO 3 11.050 -0.560 0.938 32 HD2 PRO 3 2HD PRO 3 9.146 1.361 1.052 33 HD3 PRO 3 3HD PRO 3 9.223 0.171 -0.262 34 HA PRO 4 HA PRO 4 6.513 -1.908 5.922 35 HB2 PRO 4 2HB PRO 4 7.611 -4.129 7.031 36 HB3 PRO 4 3HB PRO 4 6.183 -4.181 5.991 37 HG2 PRO 4 2HG PRO 4 9.043 -4.748 5.311 38 HG3 PRO 4 3HG PRO 4 7.582 -5.631 4.830 39 HD2 PRO 4 2HD PRO 4 8.836 -3.885 3.184 40 HD3 PRO 4 3HD PRO 4 7.079 -4.137 3.150 41 H GLY 5 H GLY 5 7.292 -0.695 7.534 42 HA2 GLY 5 2HA GLY 5 8.847 -0.195 9.258 43 HA3 GLY 5 3HA GLY 5 10.105 -0.977 8.313 44 H PHE 6 H PHE 6 8.017 1.176 6.638 45 HA PHE 6 HA PHE 6 10.205 2.910 5.997 46 HB2 PHE 6 2HB PHE 6 8.662 4.043 4.542 47 HB3 PHE 6 3HB PHE 6 8.363 2.314 4.405 48 HD1 PHE 6 HD1 PHE 6 7.016 5.524 5.410 49 HD2 PHE 6 HD2 PHE 6 6.361 1.319 5.431 50 HE1 PHE 6 HE1 PHE 6 4.643 5.900 5.941 51 HE2 PHE 6 HE2 PHE 6 3.988 1.687 5.961 52 HZ PHE 6 HZ PHE 6 3.125 3.980 6.217 53 H SER 7 H SER 7 10.669 4.908 6.749 54 HA SER 7 HA SER 7 9.582 5.699 9.261 55 HB2 SER 7 2HB SER 7 11.852 6.379 7.646 56 HB3 SER 7 3HB SER 7 11.031 7.862 8.133 57 HG SER 7 HG SER 7 11.672 5.793 9.957 58 HA PRO 8 HA PRO 8 6.360 8.459 8.146 59 HB2 PRO 8 2HB PRO 8 6.689 10.491 9.916 60 HB3 PRO 8 3HB PRO 8 6.088 8.896 10.385 61 HG2 PRO 8 2HG PRO 8 8.848 10.029 10.633 62 HG3 PRO 8 3HG PRO 8 7.921 9.072 11.804 63 HD2 PRO 8 2HD PRO 8 9.851 7.991 10.242 64 HD3 PRO 8 3HD PRO 8 8.418 7.079 10.759 65 H PHE 9 H PHE 9 5.883 10.275 6.933 66 HA PHE 9 HA PHE 9 8.158 11.988 6.181 67 HB2 PHE 9 2HB PHE 9 7.381 12.012 3.882 68 HB3 PHE 9 3HB PHE 9 7.628 10.346 4.396 69 HD1 PHE 9 HD1 PHE 9 5.674 8.918 4.922 70 HD2 PHE 9 HD2 PHE 9 5.249 12.799 3.228 71 HE1 PHE 9 HE1 PHE 9 3.372 8.368 4.248 72 HE2 PHE 9 HE2 PHE 9 2.947 12.257 2.552 73 HZ PHE 9 HZ PHE 9 2.005 10.039 3.062 Start of MODEL 4 1 H1 LYS 1 H LYS 1 3.109 0.260 -4.069 2 HA LYS 1 HA LYS 1 3.977 2.779 -3.004 3 HB2 LYS 1 2HB LYS 1 1.855 1.185 -2.487 4 HB3 LYS 1 3HB LYS 1 2.915 0.720 -1.162 5 HG2 LYS 1 2HG LYS 1 2.912 3.558 -1.362 6 HG3 LYS 1 3HG LYS 1 1.242 2.985 -1.363 7 HD2 LYS 1 2HD LYS 1 1.423 2.045 0.735 8 HD3 LYS 1 3HD LYS 1 3.175 1.860 0.616 9 HE2 LYS 1 2HE LYS 1 3.081 3.624 2.059 10 HE3 LYS 1 3HE LYS 1 3.082 4.502 0.530 11 HZ1 LYS 1 1HZ LYS 1 0.439 3.802 1.270 12 HZ2 LYS 1 2HZ LYS 1 1.097 5.335 0.993 13 HZ3 LYS 1 3HZ LYS 1 1.188 4.643 2.533 14 H ARG 2 H ARG 2 4.987 2.825 -0.756 15 HA ARG 2 HA ARG 2 7.542 1.585 -0.904 16 HB2 ARG 2 2HB ARG 2 6.209 3.565 0.782 17 HB3 ARG 2 3HB ARG 2 7.320 2.538 1.678 18 HG2 ARG 2 2HG ARG 2 8.629 4.339 1.026 19 HG3 ARG 2 3HG ARG 2 9.012 3.095 -0.166 20 HD2 ARG 2 2HD ARG 2 7.449 4.113 -1.739 21 HD3 ARG 2 3HD ARG 2 7.034 5.341 -0.544 22 HE ARG 2 HE ARG 2 8.910 6.480 -1.154 23 HH11 ARG 2 1HH1 ARG 2 9.275 3.151 -2.109 24 HH12 ARG 2 2HH1 ARG 2 10.778 3.416 -2.930 25 HH21 ARG 2 1HH2 ARG 2 10.888 6.840 -2.232 26 HH22 ARG 2 2HH2 ARG 2 11.695 5.514 -2.999 27 HA PRO 3 HA PRO 3 7.024 -2.123 1.381 28 HB2 PRO 3 2HB PRO 3 9.296 -2.221 2.864 29 HB3 PRO 3 3HB PRO 3 9.276 -2.490 1.117 30 HG2 PRO 3 2HG PRO 3 9.992 -0.017 2.644 31 HG3 PRO 3 3HG PRO 3 10.800 -0.737 1.240 32 HD2 PRO 3 2HD PRO 3 9.123 1.379 1.029 33 HD3 PRO 3 3HD PRO 3 9.285 0.157 -0.249 34 HA PRO 4 HA PRO 4 5.388 -1.480 5.412 35 HB2 PRO 4 2HB PRO 4 6.042 -3.780 6.698 36 HB3 PRO 4 3HB PRO 4 4.806 -3.702 5.436 37 HG2 PRO 4 2HG PRO 4 7.659 -4.587 5.241 38 HG3 PRO 4 3HG PRO 4 6.210 -5.320 4.530 39 HD2 PRO 4 2HD PRO 4 7.899 -3.755 3.105 40 HD3 PRO 4 3HD PRO 4 6.155 -3.818 2.782 41 H GLY 5 H GLY 5 5.896 -0.805 7.491 42 HA2 GLY 5 2HA GLY 5 7.219 -0.235 9.301 43 HA3 GLY 5 3HA GLY 5 8.502 -1.228 8.627 44 H PHE 6 H PHE 6 7.118 1.138 6.556 45 HA PHE 6 HA PHE 6 9.616 2.491 6.287 46 HB2 PHE 6 2HB PHE 6 8.156 2.253 4.363 47 HB3 PHE 6 3HB PHE 6 6.873 3.134 5.187 48 HD1 PHE 6 HD1 PHE 6 10.481 3.650 4.368 49 HD2 PHE 6 HD2 PHE 6 6.556 5.291 4.500 50 HE1 PHE 6 HE1 PHE 6 11.334 5.758 3.429 51 HE2 PHE 6 HE2 PHE 6 7.403 7.401 3.561 52 HZ PHE 6 HZ PHE 6 9.795 7.637 3.023 53 H SER 7 H SER 7 10.201 4.545 6.920 54 HA SER 7 HA SER 7 9.215 5.476 9.377 55 HB2 SER 7 2HB SER 7 10.535 7.639 8.537 56 HB3 SER 7 3HB SER 7 11.377 6.182 9.064 57 HG SER 7 HG SER 7 10.824 7.017 6.415 58 HA PRO 8 HA PRO 8 5.853 8.126 8.421 59 HB2 PRO 8 2HB PRO 8 6.265 10.224 10.095 60 HB3 PRO 8 3HB PRO 8 5.740 8.633 10.659 61 HG2 PRO 8 2HG PRO 8 8.482 9.833 10.661 62 HG3 PRO 8 3HG PRO 8 7.670 8.897 11.929 63 HD2 PRO 8 2HD PRO 8 9.502 7.805 10.261 64 HD3 PRO 8 3HD PRO 8 8.135 6.880 10.914 65 H PHE 9 H PHE 9 5.289 9.743 7.042 66 HA PHE 9 HA PHE 9 7.480 11.402 5.987 67 HB2 PHE 9 2HB PHE 9 6.175 11.541 3.906 68 HB3 PHE 9 3HB PHE 9 6.521 9.869 4.336 69 HD1 PHE 9 HD1 PHE 9 4.759 8.375 5.048 70 HD2 PHE 9 HD2 PHE 9 3.927 12.416 4.003 71 HE1 PHE 9 HE1 PHE 9 2.361 7.843 4.915 72 HE2 PHE 9 HE2 PHE 9 1.527 11.891 3.869 73 HZ PHE 9 HZ PHE 9 0.741 9.602 4.326 Start of MODEL 5 1 H1 LYS 1 H LYS 1 3.415 2.733 -4.362 2 HA LYS 1 HA LYS 1 3.309 1.454 -2.322 3 HB2 LYS 1 2HB LYS 1 4.244 -0.351 -4.561 4 HB3 LYS 1 3HB LYS 1 3.331 -0.850 -3.143 5 HG2 LYS 1 2HG LYS 1 1.789 1.164 -4.238 6 HG3 LYS 1 3HG LYS 1 2.408 0.288 -5.641 7 HD2 LYS 1 2HD LYS 1 0.479 -0.888 -5.159 8 HD3 LYS 1 3HD LYS 1 1.698 -1.824 -4.291 9 HE2 LYS 1 2HE LYS 1 1.022 -0.042 -2.388 10 HE3 LYS 1 3HE LYS 1 -0.504 -0.149 -3.264 11 HZ1 LYS 1 1HZ LYS 1 1.000 -2.460 -2.160 12 HZ2 LYS 1 2HZ LYS 1 -0.492 -2.533 -2.955 13 HZ3 LYS 1 3HZ LYS 1 -0.370 -1.760 -1.455 14 H ARG 2 H ARG 2 5.241 2.469 -1.265 15 HA ARG 2 HA ARG 2 7.791 1.240 -1.448 16 HB2 ARG 2 2HB ARG 2 6.501 3.281 0.239 17 HB3 ARG 2 3HB ARG 2 7.788 2.381 1.030 18 HG2 ARG 2 2HG ARG 2 9.404 3.311 -0.236 19 HG3 ARG 2 3HG ARG 2 8.386 3.385 -1.675 20 HD2 ARG 2 2HD ARG 2 7.798 5.495 -1.258 21 HD3 ARG 2 3HD ARG 2 7.419 5.130 0.424 22 HE ARG 2 HE ARG 2 10.232 5.286 -0.054 23 HH11 ARG 2 1HH1 ARG 2 7.362 7.166 0.535 24 HH12 ARG 2 2HH1 ARG 2 8.223 8.507 1.216 25 HH21 ARG 2 1HH2 ARG 2 11.376 7.044 0.841 26 HH22 ARG 2 2HH2 ARG 2 10.506 8.437 1.389 27 HA PRO 3 HA PRO 3 7.474 -2.289 1.138 28 HB2 PRO 3 2HB PRO 3 9.830 -2.240 2.486 29 HB3 PRO 3 3HB PRO 3 9.714 -2.643 0.769 30 HG2 PRO 3 2HG PRO 3 10.471 -0.050 2.060 31 HG3 PRO 3 3HG PRO 3 11.209 -0.864 0.668 32 HD2 PRO 3 2HD PRO 3 9.485 1.206 0.398 33 HD3 PRO 3 3HD PRO 3 9.594 -0.108 -0.792 34 HA PRO 4 HA PRO 4 6.064 -1.361 5.198 35 HB2 PRO 4 2HB PRO 4 6.834 -3.547 6.613 36 HB3 PRO 4 3HB PRO 4 5.526 -3.583 5.425 37 HG2 PRO 4 2HG PRO 4 8.379 -4.440 5.128 38 HG3 PRO 4 3HG PRO 4 6.904 -5.246 4.562 39 HD2 PRO 4 2HD PRO 4 8.478 -3.771 2.925 40 HD3 PRO 4 3HD PRO 4 6.720 -3.883 2.712 41 H GLY 5 H GLY 5 6.678 -0.559 7.212 42 HA2 GLY 5 2HA GLY 5 8.136 0.020 8.940 43 HA3 GLY 5 3HA GLY 5 9.440 -0.779 8.076 44 H PHE 6 H PHE 6 7.524 1.443 6.289 45 HA PHE 6 HA PHE 6 9.743 3.083 5.675 46 HB2 PHE 6 2HB PHE 6 8.196 4.430 4.411 47 HB3 PHE 6 3HB PHE 6 7.757 2.739 4.195 48 HD1 PHE 6 HD1 PHE 6 5.783 1.818 5.369 49 HD2 PHE 6 HD2 PHE 6 6.711 5.972 5.419 50 HE1 PHE 6 HE1 PHE 6 3.485 2.319 6.095 51 HE2 PHE 6 HE2 PHE 6 4.415 6.479 6.145 52 HZ PHE 6 HZ PHE 6 2.800 4.652 6.485 53 H SER 7 H SER 7 10.469 4.946 6.530 54 HA SER 7 HA SER 7 9.623 5.699 9.137 55 HB2 SER 7 2HB SER 7 11.793 6.358 7.326 56 HB3 SER 7 3HB SER 7 11.182 7.796 8.143 57 HG SER 7 HG SER 7 12.823 6.043 9.128 58 HA PRO 8 HA PRO 8 6.606 8.798 8.405 59 HB2 PRO 8 2HB PRO 8 7.244 10.685 10.249 60 HB3 PRO 8 3HB PRO 8 6.529 9.127 10.678 61 HG2 PRO 8 2HG PRO 8 9.394 9.990 10.782 62 HG3 PRO 8 3HG PRO 8 8.463 9.054 11.967 63 HD2 PRO 8 2HD PRO 8 10.172 7.897 10.213 64 HD3 PRO 8 3HD PRO 8 8.699 7.088 10.786 65 H PHE 9 H PHE 9 6.252 10.572 7.159 66 HA PHE 9 HA PHE 9 8.303 11.607 5.566 67 HB2 PHE 9 2HB PHE 9 6.655 13.186 4.735 68 HB3 PHE 9 3HB PHE 9 5.903 11.608 4.942 69 HD1 PHE 9 HD1 PHE 9 4.286 11.224 6.721 70 HD2 PHE 9 HD2 PHE 9 6.020 15.060 6.091 71 HE1 PHE 9 HE1 PHE 9 2.536 12.241 8.120 72 HE2 PHE 9 HE2 PHE 9 4.273 16.082 7.490 73 HZ PHE 9 HZ PHE 9 2.529 14.673 8.507 Start of MODEL 6 1 H1 LYS 1 H LYS 1 4.428 0.794 -4.780 2 HA LYS 1 HA LYS 1 4.375 2.157 -2.954 3 HB2 LYS 1 2HB LYS 1 2.836 -0.182 -2.075 4 HB3 LYS 1 3HB LYS 1 3.597 0.702 -0.759 5 HG2 LYS 1 2HG LYS 1 2.536 2.775 -1.591 6 HG3 LYS 1 3HG LYS 1 1.700 1.815 -2.814 7 HD2 LYS 1 2HD LYS 1 0.545 0.562 -1.111 8 HD3 LYS 1 3HD LYS 1 1.476 1.358 0.160 9 HE2 LYS 1 2HE LYS 1 0.062 3.183 -1.651 10 HE3 LYS 1 3HE LYS 1 -0.990 2.140 -0.695 11 HZ1 LYS 1 1HZ LYS 1 1.088 3.233 0.903 12 HZ2 LYS 1 2HZ LYS 1 -0.588 3.344 1.105 13 HZ3 LYS 1 3HZ LYS 1 0.222 4.466 0.132 14 H ARG 2 H ARG 2 5.343 2.331 -0.664 15 HA ARG 2 HA ARG 2 8.043 1.452 -0.809 16 HB2 ARG 2 2HB ARG 2 6.415 3.102 1.039 17 HB3 ARG 2 3HB ARG 2 7.857 2.360 1.719 18 HG2 ARG 2 2HG ARG 2 8.403 4.562 0.963 19 HG3 ARG 2 3HG ARG 2 9.188 3.390 -0.098 20 HD2 ARG 2 2HD ARG 2 7.206 3.659 -1.645 21 HD3 ARG 2 3HD ARG 2 6.725 5.030 -0.646 22 HE ARG 2 HE ARG 2 9.381 5.417 -1.388 23 HH11 ARG 2 1HH1 ARG 2 6.245 5.226 -2.887 24 HH12 ARG 2 2HH1 ARG 2 6.661 6.281 -4.196 25 HH21 ARG 2 1HH2 ARG 2 9.942 6.808 -3.107 26 HH22 ARG 2 2HH2 ARG 2 8.765 7.180 -4.321 27 HA PRO 3 HA PRO 3 8.029 -2.317 1.436 28 HB2 PRO 3 2HB PRO 3 10.288 -2.118 2.929 29 HB3 PRO 3 3HB PRO 3 10.312 -2.369 1.180 30 HG2 PRO 3 2HG PRO 3 10.675 0.163 2.736 31 HG3 PRO 3 3HG PRO 3 11.580 -0.425 1.329 32 HD2 PRO 3 2HD PRO 3 9.630 1.444 1.131 33 HD3 PRO 3 3HD PRO 3 9.962 0.270 -0.159 34 HA PRO 4 HA PRO 4 6.306 -1.947 5.464 35 HB2 PRO 4 2HB PRO 4 7.263 -4.150 6.730 36 HB3 PRO 4 3HB PRO 4 6.034 -4.229 5.463 37 HG2 PRO 4 2HG PRO 4 8.982 -4.712 5.273 38 HG3 PRO 4 3HG PRO 4 7.649 -5.629 4.547 39 HD2 PRO 4 2HD PRO 4 9.113 -3.832 3.148 40 HD3 PRO 4 3HD PRO 4 7.395 -4.130 2.815 41 H GLY 5 H GLY 5 6.717 -0.987 7.395 42 HA2 GLY 5 2HA GLY 5 7.993 -0.477 9.316 43 HA3 GLY 5 3HA GLY 5 9.429 -1.064 8.489 44 H PHE 6 H PHE 6 7.377 1.053 6.725 45 HA PHE 6 HA PHE 6 9.459 3.017 6.543 46 HB2 PHE 6 2HB PHE 6 7.657 2.274 4.769 47 HB3 PHE 6 3HB PHE 6 6.686 3.523 5.541 48 HD1 PHE 6 HD1 PHE 6 10.129 3.056 4.180 49 HD2 PHE 6 HD2 PHE 6 6.780 5.639 4.663 50 HE1 PHE 6 HE1 PHE 6 11.255 4.766 2.817 51 HE2 PHE 6 HE2 PHE 6 7.901 7.352 3.300 52 HZ PHE 6 HZ PHE 6 10.141 6.917 2.374 53 H SER 7 H SER 7 9.332 5.212 7.155 54 HA SER 7 HA SER 7 8.149 5.637 9.711 55 HB2 SER 7 2HB SER 7 8.918 8.138 8.724 56 HB3 SER 7 3HB SER 7 9.878 7.068 9.745 57 HG SER 7 HG SER 7 10.135 7.651 7.076 58 HA PRO 8 HA PRO 8 4.275 7.456 8.754 59 HB2 PRO 8 2HB PRO 8 4.106 9.467 10.570 60 HB3 PRO 8 3HB PRO 8 3.967 7.760 11.011 61 HG2 PRO 8 2HG PRO 8 6.331 9.584 11.220 62 HG3 PRO 8 3HG PRO 8 5.731 8.392 12.387 63 HD2 PRO 8 2HD PRO 8 7.829 7.898 10.748 64 HD3 PRO 8 3HD PRO 8 6.709 6.625 11.276 65 H PHE 9 H PHE 9 3.319 9.061 7.551 66 HA PHE 9 HA PHE 9 4.541 11.626 7.167 67 HB2 PHE 9 2HB PHE 9 5.280 9.479 5.411 68 HB3 PHE 9 3HB PHE 9 4.363 10.678 4.506 69 HD1 PHE 9 HD1 PHE 9 5.106 13.209 5.406 70 HD2 PHE 9 HD2 PHE 9 7.537 9.724 5.155 71 HE1 PHE 9 HE1 PHE 9 7.113 14.624 5.245 72 HE2 PHE 9 HE2 PHE 9 9.547 11.133 4.995 73 HZ PHE 9 HZ PHE 9 9.337 13.587 5.040 Start of MODEL 7 1 H1 LYS 1 H LYS 1 3.600 3.660 -2.898 2 HA LYS 1 HA LYS 1 2.802 1.110 -1.670 3 HB2 LYS 1 2HB LYS 1 2.720 1.705 -4.271 4 HB3 LYS 1 3HB LYS 1 4.397 1.181 -4.182 5 HG2 LYS 1 2HG LYS 1 3.695 -0.907 -4.379 6 HG3 LYS 1 3HG LYS 1 2.922 -0.755 -2.799 7 HD2 LYS 1 2HD LYS 1 1.029 0.407 -4.229 8 HD3 LYS 1 3HD LYS 1 1.743 -0.555 -5.526 9 HE2 LYS 1 2HE LYS 1 1.531 -2.547 -3.976 10 HE3 LYS 1 3HE LYS 1 0.541 -1.519 -2.941 11 HZ1 LYS 1 1HZ LYS 1 -0.918 -2.724 -4.333 12 HZ2 LYS 1 2HZ LYS 1 -0.030 -2.360 -5.725 13 HZ3 LYS 1 3HZ LYS 1 -0.897 -1.142 -4.934 14 H ARG 2 H ARG 2 4.620 2.770 -0.309 15 HA ARG 2 HA ARG 2 7.315 1.994 -0.836 16 HB2 ARG 2 2HB ARG 2 5.892 3.623 1.154 17 HB3 ARG 2 3HB ARG 2 7.318 2.806 1.779 18 HG2 ARG 2 2HG ARG 2 8.715 4.159 0.684 19 HG3 ARG 2 3HG ARG 2 7.754 4.110 -0.795 20 HD2 ARG 2 2HD ARG 2 6.696 5.625 1.538 21 HD3 ARG 2 3HD ARG 2 8.021 6.330 0.611 22 HE ARG 2 HE ARG 2 6.073 5.507 -1.199 23 HH11 ARG 2 1HH1 ARG 2 6.439 7.819 1.377 24 HH12 ARG 2 2HH1 ARG 2 5.313 8.949 0.699 25 HH21 ARG 2 1HH2 ARG 2 4.589 6.985 -2.102 26 HH22 ARG 2 2HH2 ARG 2 4.261 8.473 -1.280 27 HA PRO 3 HA PRO 3 7.670 -1.834 1.278 28 HB2 PRO 3 2HB PRO 3 10.092 -1.614 2.486 29 HB3 PRO 3 3HB PRO 3 9.904 -1.816 0.740 30 HG2 PRO 3 2HG PRO 3 10.398 0.681 2.316 31 HG3 PRO 3 3HG PRO 3 11.134 0.157 0.790 32 HD2 PRO 3 2HD PRO 3 9.131 1.976 0.892 33 HD3 PRO 3 3HD PRO 3 9.327 0.848 -0.465 34 HA PRO 4 HA PRO 4 6.453 -1.622 5.497 35 HB2 PRO 4 2HB PRO 4 7.613 -3.831 6.567 36 HB3 PRO 4 3HB PRO 4 6.237 -3.909 5.460 37 HG2 PRO 4 2HG PRO 4 9.150 -4.305 4.893 38 HG3 PRO 4 3HG PRO 4 7.759 -5.238 4.310 39 HD2 PRO 4 2HD PRO 4 8.995 -3.364 2.795 40 HD3 PRO 4 3HD PRO 4 7.256 -3.701 2.668 41 H GLY 5 H GLY 5 7.088 -0.883 7.503 42 HA2 GLY 5 2HA GLY 5 8.585 -0.355 9.229 43 HA3 GLY 5 3HA GLY 5 9.918 -0.843 8.193 44 H PHE 6 H PHE 6 7.580 1.271 6.826 45 HA PHE 6 HA PHE 6 9.549 3.320 6.462 46 HB2 PHE 6 2HB PHE 6 7.541 2.604 4.922 47 HB3 PHE 6 3HB PHE 6 6.642 3.761 5.899 48 HD1 PHE 6 HD1 PHE 6 9.630 3.411 3.734 49 HD2 PHE 6 HD2 PHE 6 6.764 6.046 5.455 50 HE1 PHE 6 HE1 PHE 6 10.481 5.246 2.332 51 HE2 PHE 6 HE2 PHE 6 7.610 7.885 4.056 52 HZ PHE 6 HZ PHE 6 9.469 7.486 2.491 53 H SER 7 H SER 7 9.739 5.266 7.458 54 HA SER 7 HA SER 7 8.682 5.554 10.070 55 HB2 SER 7 2HB SER 7 9.612 8.067 9.364 56 HB3 SER 7 3HB SER 7 10.568 6.784 10.107 57 HG SER 7 HG SER 7 11.677 7.239 8.307 58 HA PRO 8 HA PRO 8 4.935 7.762 9.502 59 HB2 PRO 8 2HB PRO 8 5.020 9.588 11.509 60 HB3 PRO 8 3HB PRO 8 4.758 7.863 11.791 61 HG2 PRO 8 2HG PRO 8 7.275 9.463 12.047 62 HG3 PRO 8 3HG PRO 8 6.630 8.212 13.125 63 HD2 PRO 8 2HD PRO 8 8.601 7.718 11.335 64 HD3 PRO 8 3HD PRO 8 7.403 6.493 11.798 65 H PHE 9 H PHE 9 4.133 9.449 8.358 66 HA PHE 9 HA PHE 9 5.720 11.888 8.085 67 HB2 PHE 9 2HB PHE 9 5.432 9.861 6.030 68 HB3 PHE 9 3HB PHE 9 4.791 11.410 5.494 69 HD1 PHE 9 HD1 PHE 9 6.219 13.108 4.781 70 HD2 PHE 9 HD2 PHE 9 7.799 9.799 6.943 71 HE1 PHE 9 HE1 PHE 9 8.502 13.885 4.295 72 HE2 PHE 9 HE2 PHE 9 10.085 10.572 6.461 73 HZ PHE 9 HZ PHE 9 10.439 12.617 5.137 Start of MODEL 8 1 H1 LYS 1 H LYS 1 3.415 0.214 -4.422 2 HA LYS 1 HA LYS 1 4.001 2.963 -3.549 3 HB2 LYS 1 2HB LYS 1 3.050 2.311 -1.379 4 HB3 LYS 1 3HB LYS 1 1.894 2.090 -2.685 5 HG2 LYS 1 2HG LYS 1 3.377 -0.326 -2.302 6 HG3 LYS 1 3HG LYS 1 2.707 0.217 -0.762 7 HD2 LYS 1 2HD LYS 1 0.490 0.409 -1.830 8 HD3 LYS 1 3HD LYS 1 1.181 -0.216 -3.330 9 HE2 LYS 1 2HE LYS 1 1.734 -1.872 -0.982 10 HE3 LYS 1 3HE LYS 1 0.018 -1.724 -1.362 11 HZ1 LYS 1 1HZ LYS 1 2.182 -2.761 -3.097 12 HZ2 LYS 1 2HZ LYS 1 0.663 -2.334 -3.704 13 HZ3 LYS 1 3HZ LYS 1 0.798 -3.572 -2.559 14 H ARG 2 H ARG 2 5.254 3.055 -1.438 15 HA ARG 2 HA ARG 2 7.758 1.765 -1.820 16 HB2 ARG 2 2HB ARG 2 6.611 3.668 0.161 17 HB3 ARG 2 3HB ARG 2 8.058 2.783 0.624 18 HG2 ARG 2 2HG ARG 2 9.377 3.904 -0.828 19 HG3 ARG 2 3HG ARG 2 8.097 4.074 -2.031 20 HD2 ARG 2 2HD ARG 2 7.063 5.833 -0.729 21 HD3 ARG 2 3HD ARG 2 8.252 5.617 0.555 22 HE ARG 2 HE ARG 2 9.646 6.169 -1.787 23 HH11 ARG 2 1HH1 ARG 2 7.378 7.745 0.332 24 HH12 ARG 2 2HH1 ARG 2 7.969 9.338 -0.006 25 HH21 ARG 2 1HH2 ARG 2 10.433 8.262 -2.240 26 HH22 ARG 2 2HH2 ARG 2 9.706 9.631 -1.470 27 HA PRO 3 HA PRO 3 7.435 -1.875 0.607 28 HB2 PRO 3 2HB PRO 3 9.852 -1.973 1.840 29 HB3 PRO 3 3HB PRO 3 9.641 -2.286 0.113 30 HG2 PRO 3 2HG PRO 3 10.551 0.212 1.488 31 HG3 PRO 3 3HG PRO 3 11.194 -0.557 0.025 32 HD2 PRO 3 2HD PRO 3 9.535 1.581 -0.062 33 HD3 PRO 3 3HD PRO 3 9.540 0.325 -1.317 34 HA PRO 4 HA PRO 4 6.251 -1.102 4.770 35 HB2 PRO 4 2HB PRO 4 7.006 -3.379 6.040 36 HB3 PRO 4 3HB PRO 4 5.644 -3.313 4.916 37 HG2 PRO 4 2HG PRO 4 8.447 -4.250 4.441 38 HG3 PRO 4 3HG PRO 4 6.919 -4.976 3.909 39 HD2 PRO 4 2HD PRO 4 8.467 -3.477 2.271 40 HD3 PRO 4 3HD PRO 4 6.698 -3.519 2.138 41 H GLY 5 H GLY 5 6.985 -0.502 6.836 42 HA2 GLY 5 2HA GLY 5 8.611 -0.219 8.526 43 HA3 GLY 5 3HA GLY 5 9.850 -0.722 7.386 44 H PHE 6 H PHE 6 7.565 1.591 6.277 45 HA PHE 6 HA PHE 6 9.584 3.526 5.789 46 HB2 PHE 6 2HB PHE 6 7.829 4.891 4.873 47 HB3 PHE 6 3HB PHE 6 7.517 3.223 4.406 48 HD1 PHE 6 HD1 PHE 6 6.300 6.105 6.199 49 HD2 PHE 6 HD2 PHE 6 5.740 1.933 5.567 50 HE1 PHE 6 HE1 PHE 6 4.039 6.267 7.156 51 HE2 PHE 6 HE2 PHE 6 3.478 2.089 6.522 52 HZ PHE 6 HZ PHE 6 2.624 4.257 7.317 53 H SER 7 H SER 7 10.201 5.281 6.916 54 HA SER 7 HA SER 7 9.577 5.478 9.663 55 HB2 SER 7 2HB SER 7 11.322 6.916 9.736 56 HB3 SER 7 3HB SER 7 11.584 6.435 8.060 57 HG SER 7 HG SER 7 11.493 8.678 8.193 58 HA PRO 8 HA PRO 8 6.073 8.109 9.854 59 HB2 PRO 8 2HB PRO 8 6.676 9.740 11.939 60 HB3 PRO 8 3HB PRO 8 6.259 8.034 12.143 61 HG2 PRO 8 2HG PRO 8 8.956 9.333 12.096 62 HG3 PRO 8 3HG PRO 8 8.341 8.070 13.179 63 HD2 PRO 8 2HD PRO 8 9.944 7.524 11.066 64 HD3 PRO 8 3HD PRO 8 8.696 6.397 11.633 65 H PHE 9 H PHE 9 5.315 9.946 8.941 66 HA PHE 9 HA PHE 9 7.183 11.694 7.637 67 HB2 PHE 9 2HB PHE 9 4.440 10.982 7.324 68 HB3 PHE 9 3HB PHE 9 4.531 12.732 7.493 69 HD1 PHE 9 HD1 PHE 9 6.619 10.139 5.801 70 HD2 PHE 9 HD2 PHE 9 4.479 13.804 5.474 71 HE1 PHE 9 HE1 PHE 9 7.305 10.325 3.445 72 HE2 PHE 9 HE2 PHE 9 5.160 13.995 3.117 73 HZ PHE 9 HZ PHE 9 6.574 12.254 2.100 Start of MODEL 9 1 H1 LYS 1 H LYS 1 3.887 0.402 -5.066 2 HA LYS 1 HA LYS 1 4.756 2.023 -3.414 3 HB2 LYS 1 2HB LYS 1 2.621 0.497 -3.051 4 HB3 LYS 1 3HB LYS 1 3.607 -0.184 -1.764 5 HG2 LYS 1 2HG LYS 1 3.433 1.653 -0.473 6 HG3 LYS 1 3HG LYS 1 3.467 2.756 -1.850 7 HD2 LYS 1 2HD LYS 1 1.287 3.041 -1.354 8 HD3 LYS 1 3HD LYS 1 1.087 1.533 -2.250 9 HE2 LYS 1 2HE LYS 1 0.198 0.638 -0.420 10 HE3 LYS 1 3HE LYS 1 1.774 0.780 0.357 11 HZ1 LYS 1 1HZ LYS 1 -0.484 1.974 1.213 12 HZ2 LYS 1 2HZ LYS 1 0.248 3.224 0.342 13 HZ3 LYS 1 3HZ LYS 1 1.082 2.477 1.610 14 H ARG 2 H ARG 2 5.740 2.172 -1.223 15 HA ARG 2 HA ARG 2 8.277 0.885 -1.210 16 HB2 ARG 2 2HB ARG 2 6.867 2.860 0.512 17 HB3 ARG 2 3HB ARG 2 8.224 1.993 1.218 18 HG2 ARG 2 2HG ARG 2 9.542 3.525 0.309 19 HG3 ARG 2 3HG ARG 2 9.153 2.817 -1.261 20 HD2 ARG 2 2HD ARG 2 7.259 4.786 -0.080 21 HD3 ARG 2 3HD ARG 2 8.770 5.383 -0.765 22 HE ARG 2 HE ARG 2 7.688 3.700 -2.662 23 HH11 ARG 2 1HH1 ARG 2 6.744 6.625 -1.026 24 HH12 ARG 2 2HH1 ARG 2 5.787 7.209 -2.347 25 HH21 ARG 2 1HH2 ARG 2 6.431 4.459 -4.408 26 HH22 ARG 2 2HH2 ARG 2 5.609 5.976 -4.270 27 HA PRO 3 HA PRO 3 7.622 -2.665 1.282 28 HB2 PRO 3 2HB PRO 3 9.844 -2.705 2.841 29 HB3 PRO 3 3HB PRO 3 9.875 -3.082 1.115 30 HG2 PRO 3 2HG PRO 3 10.584 -0.530 2.509 31 HG3 PRO 3 3HG PRO 3 11.424 -1.349 1.179 32 HD2 PRO 3 2HD PRO 3 9.792 0.775 0.783 33 HD3 PRO 3 3HD PRO 3 9.972 -0.526 -0.411 34 HA PRO 4 HA PRO 4 5.871 -1.747 5.210 35 HB2 PRO 4 2HB PRO 4 6.444 -3.972 6.656 36 HB3 PRO 4 3HB PRO 4 5.250 -3.954 5.352 37 HG2 PRO 4 2HG PRO 4 8.092 -4.893 5.305 38 HG3 PRO 4 3HG PRO 4 6.653 -5.646 4.594 39 HD2 PRO 4 2HD PRO 4 8.413 -4.199 3.132 40 HD3 PRO 4 3HD PRO 4 6.679 -4.256 2.756 41 H GLY 5 H GLY 5 6.308 -1.120 7.365 42 HA2 GLY 5 2HA GLY 5 7.627 -0.594 9.208 43 HA3 GLY 5 3HA GLY 5 8.990 -1.378 8.422 44 H PHE 6 H PHE 6 7.254 0.936 6.570 45 HA PHE 6 HA PHE 6 9.564 2.603 6.338 46 HB2 PHE 6 2HB PHE 6 7.610 2.102 4.630 47 HB3 PHE 6 3HB PHE 6 6.873 3.504 5.399 48 HD1 PHE 6 HD1 PHE 6 7.209 5.512 4.361 49 HD2 PHE 6 HD2 PHE 6 10.217 2.516 4.059 50 HE1 PHE 6 HE1 PHE 6 8.543 7.000 2.925 51 HE2 PHE 6 HE2 PHE 6 11.555 3.999 2.623 52 HZ PHE 6 HZ PHE 6 10.719 6.245 2.055 53 H SER 7 H SER 7 9.872 4.701 7.053 54 HA SER 7 HA SER 7 8.794 5.340 9.585 55 HB2 SER 7 2HB SER 7 9.891 7.692 8.797 56 HB3 SER 7 3HB SER 7 10.830 6.342 9.434 57 HG SER 7 HG SER 7 10.389 7.023 6.719 58 HA PRO 8 HA PRO 8 5.199 7.701 8.729 59 HB2 PRO 8 2HB PRO 8 5.377 9.719 10.536 60 HB3 PRO 8 3HB PRO 8 5.005 8.052 10.991 61 HG2 PRO 8 2HG PRO 8 7.614 9.514 11.120 62 HG3 PRO 8 3HG PRO 8 6.882 8.424 12.312 63 HD2 PRO 8 2HD PRO 8 8.836 7.626 10.616 64 HD3 PRO 8 3HD PRO 8 7.559 6.532 11.184 65 H PHE 9 H PHE 9 4.451 9.426 7.544 66 HA PHE 9 HA PHE 9 4.511 11.178 6.096 67 HB2 PHE 9 2HB PHE 9 5.319 12.250 8.339 68 HB3 PHE 9 3HB PHE 9 6.885 12.309 7.537 69 HD1 PHE 9 HD1 PHE 9 3.343 13.349 7.158 70 HD2 PHE 9 HD2 PHE 9 7.402 14.048 6.084 71 HE1 PHE 9 HE1 PHE 9 2.683 15.437 6.036 72 HE2 PHE 9 HE2 PHE 9 6.749 16.138 4.962 73 HZ PHE 9 HZ PHE 9 4.387 16.835 4.937 Start of MODEL 10 1 H1 LYS 1 H LYS 1 5.146 0.625 -4.810 2 HA LYS 1 HA LYS 1 3.880 2.238 -2.772 3 HB2 LYS 1 2HB LYS 1 3.079 -0.535 -3.287 4 HB3 LYS 1 3HB LYS 1 3.553 -0.239 -1.619 5 HG2 LYS 1 2HG LYS 1 1.658 1.642 -2.937 6 HG3 LYS 1 3HG LYS 1 1.074 0.071 -2.385 7 HD2 LYS 1 2HD LYS 1 2.718 1.694 -0.512 8 HD3 LYS 1 3HD LYS 1 1.054 2.201 -0.810 9 HE2 LYS 1 2HE LYS 1 0.627 -0.400 -0.403 10 HE3 LYS 1 3HE LYS 1 2.098 -0.218 0.552 11 HZ1 LYS 1 1HZ LYS 1 0.381 1.919 1.137 12 HZ2 LYS 1 2HZ LYS 1 0.904 0.681 2.164 13 HZ3 LYS 1 3HZ LYS 1 -0.510 0.485 1.257 14 H ARG 2 H ARG 2 5.112 2.427 -0.943 15 HA ARG 2 HA ARG 2 7.845 1.719 -1.121 16 HB2 ARG 2 2HB ARG 2 6.117 3.162 0.774 17 HB3 ARG 2 3HB ARG 2 7.508 2.375 1.508 18 HG2 ARG 2 2HG ARG 2 8.933 3.872 0.676 19 HG3 ARG 2 3HG ARG 2 8.173 3.843 -0.917 20 HD2 ARG 2 2HD ARG 2 6.314 5.234 0.113 21 HD3 ARG 2 3HD ARG 2 7.385 5.455 1.496 22 HE ARG 2 HE ARG 2 8.832 6.151 -0.763 23 HH11 ARG 2 1HH1 ARG 2 5.977 7.233 0.909 24 HH12 ARG 2 2HH1 ARG 2 6.157 8.885 0.418 25 HH21 ARG 2 1HH2 ARG 2 9.080 8.322 -1.417 26 HH22 ARG 2 2HH2 ARG 2 7.921 9.503 -0.906 27 HA PRO 3 HA PRO 3 8.099 -2.215 0.804 28 HB2 PRO 3 2HB PRO 3 10.341 -1.983 2.317 29 HB3 PRO 3 3HB PRO 3 10.379 -2.085 0.553 30 HG2 PRO 3 2HG PRO 3 10.568 0.328 2.315 31 HG3 PRO 3 3HG PRO 3 11.509 -0.077 0.867 32 HD2 PRO 3 2HD PRO 3 9.433 1.661 0.817 33 HD3 PRO 3 3HD PRO 3 9.844 0.624 -0.564 34 HA PRO 4 HA PRO 4 6.362 -2.301 4.842 35 HB2 PRO 4 2HB PRO 4 7.474 -4.528 5.925 36 HB3 PRO 4 3HB PRO 4 6.250 -4.588 4.651 37 HG2 PRO 4 2HG PRO 4 9.224 -4.846 4.434 38 HG3 PRO 4 3HG PRO 4 7.957 -5.791 3.629 39 HD2 PRO 4 2HD PRO 4 9.290 -3.786 2.389 40 HD3 PRO 4 3HD PRO 4 7.596 -4.175 2.026 41 H GLY 5 H GLY 5 6.732 -1.248 6.700 42 HA2 GLY 5 2HA GLY 5 7.934 -0.813 8.700 43 HA3 GLY 5 3HA GLY 5 9.404 -1.350 7.901 44 H PHE 6 H PHE 6 7.369 0.782 6.137 45 HA PHE 6 HA PHE 6 9.395 2.746 5.913 46 HB2 PHE 6 2HB PHE 6 7.780 2.404 4.126 47 HB3 PHE 6 3HB PHE 6 6.459 2.865 5.195 48 HD1 PHE 6 HD1 PHE 6 5.580 4.918 4.715 49 HD2 PHE 6 HD2 PHE 6 9.769 4.322 4.259 50 HE1 PHE 6 HE1 PHE 6 5.834 7.264 4.017 51 HE2 PHE 6 HE2 PHE 6 10.031 6.667 3.562 52 HZ PHE 6 HZ PHE 6 8.062 8.141 3.441 53 H SER 7 H SER 7 9.605 4.758 6.826 54 HA SER 7 HA SER 7 8.590 5.087 9.459 55 HB2 SER 7 2HB SER 7 9.602 7.530 8.910 56 HB3 SER 7 3HB SER 7 10.604 6.147 9.349 57 HG SER 7 HG SER 7 10.951 7.503 7.259 58 HA PRO 8 HA PRO 8 4.907 7.401 8.892 59 HB2 PRO 8 2HB PRO 8 5.059 9.242 10.881 60 HB3 PRO 8 3HB PRO 8 4.747 7.529 11.180 61 HG2 PRO 8 2HG PRO 8 7.313 9.055 11.406 62 HG3 PRO 8 3HG PRO 8 6.637 7.833 12.500 63 HD2 PRO 8 2HD PRO 8 8.581 7.264 10.703 64 HD3 PRO 8 3HD PRO 8 7.350 6.080 11.185 65 H PHE 9 H PHE 9 4.102 9.172 7.841 66 HA PHE 9 HA PHE 9 5.783 11.529 7.497 67 HB2 PHE 9 2HB PHE 9 6.176 9.767 5.627 68 HB3 PHE 9 3HB PHE 9 4.591 10.266 5.046 69 HD1 PHE 9 HD1 PHE 9 7.944 11.587 5.940 70 HD2 PHE 9 HD2 PHE 9 4.373 12.139 3.690 71 HE1 PHE 9 HE1 PHE 9 8.979 13.488 4.771 72 HE2 PHE 9 HE2 PHE 9 5.403 14.041 2.517 73 HZ PHE 9 HZ PHE 9 7.709 14.717 3.056
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