NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
641595 | 6qys | 34370 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H DBB 1 HT1 DBB 1 7.966 5.175 4.410 2 H1 DBB 1 HT2 DBB 1 8.934 3.971 3.699 3 HA DBB 1 HA DBB 1 6.084 4.445 3.415 4 HB2 DBB 1 HB1 DBB 1 7.433 1.842 2.797 5 HG1 DBB 1 HG1 DBB 1 5.126 3.046 1.767 6 HG2 DBB 1 HG2 DBB 1 4.516 1.894 2.958 7 HG3 DBB 1 HG3 DBB 1 5.553 1.340 1.646 8 HT3 DBB 1 HT3 DBB 1 7.884 3.580 4.977 9 HA PRO 2 HA PRO 2 7.220 6.749 3.078 10 HB2 PRO 2 HB2 PRO 2 5.748 8.124 0.923 11 HB3 PRO 2 HB1 PRO 2 7.138 8.681 1.870 12 HG2 PRO 2 HG2 PRO 2 7.332 7.998 -0.721 13 HG3 PRO 2 HG1 PRO 2 8.655 7.768 0.433 14 HD2 PRO 2 HD2 PRO 2 6.763 5.732 -0.693 15 HD3 PRO 2 HD1 PRO 2 8.490 5.571 -0.299 16 H GLY 3 HN GLY 3 4.874 5.261 0.952 17 HA2 GLY 3 HA2 GLY 3 2.443 6.117 1.922 18 HA3 GLY 3 HA1 GLY 3 2.775 4.483 1.355 19 H CYS 4 HN CYS 4 4.614 3.653 3.178 20 HA CYS 4 HA CYS 4 3.584 2.252 5.054 21 HB2 CYS 4 HB2 CYS 4 5.901 4.132 5.401 22 HB3 CYS 4 HB1 CYS 4 5.387 3.096 6.716 23 H LYS 5 HN LYS 5 4.695 4.817 7.019 24 HA LYS 5 HA LYS 5 2.226 4.923 8.464 25 HB2 LYS 5 HB2 LYS 5 3.926 7.034 9.272 26 HB3 LYS 5 HB1 LYS 5 3.694 5.475 10.065 27 HG2 LYS 5 HG2 LYS 5 5.433 4.473 8.638 28 HG3 LYS 5 HG1 LYS 5 5.662 6.021 7.822 29 HD2 LYS 5 HD2 LYS 5 6.594 7.034 9.728 30 HD3 LYS 5 HD1 LYS 5 5.919 5.819 10.815 31 HE2 LYS 5 HE2 LYS 5 7.820 4.874 8.716 32 HE3 LYS 5 HE1 LYS 5 8.492 5.772 10.078 33 HZ1 LYS 5 HZ1 LYS 5 6.584 3.581 10.554 34 HZ2 LYS 5 HZ2 LYS 5 7.791 4.198 11.580 35 HZ3 LYS 5 HZ3 LYS 5 8.215 3.227 10.254 Start of MODEL 2 1 H DBB 1 HT1 DBB 1 8.783 3.438 3.959 2 H1 DBB 1 HT2 DBB 1 7.702 4.217 5.015 3 HA DBB 1 HA DBB 1 6.097 4.433 3.412 4 HB2 DBB 1 HB1 DBB 1 7.455 1.836 2.772 5 HG1 DBB 1 HG1 DBB 1 5.158 2.998 1.712 6 HG2 DBB 1 HG2 DBB 1 4.533 1.891 2.936 7 HG3 DBB 1 HG3 DBB 1 5.573 1.286 1.648 8 HT3 DBB 1 HT3 DBB 1 8.477 5.096 3.783 9 HA PRO 2 HA PRO 2 7.232 6.706 3.071 10 HB2 PRO 2 HB2 PRO 2 5.734 8.171 1.001 11 HB3 PRO 2 HB1 PRO 2 7.173 8.666 1.908 12 HG2 PRO 2 HG2 PRO 2 7.246 8.046 -0.709 13 HG3 PRO 2 HG1 PRO 2 8.609 7.758 0.387 14 HD2 PRO 2 HD2 PRO 2 6.622 5.792 -0.705 15 HD3 PRO 2 HD1 PRO 2 8.361 5.584 -0.392 16 H GLY 3 HN GLY 3 4.871 5.274 0.960 17 HA2 GLY 3 HA2 GLY 3 2.447 6.129 1.941 18 HA3 GLY 3 HA1 GLY 3 2.774 4.498 1.359 19 H CYS 4 HN CYS 4 4.623 3.645 3.166 20 HA CYS 4 HA CYS 4 3.592 2.239 5.041 21 HB2 CYS 4 HB2 CYS 4 5.916 4.112 5.412 22 HB3 CYS 4 HB1 CYS 4 5.398 3.055 6.709 23 H LYS 5 HN LYS 5 4.692 4.813 7.021 24 HA LYS 5 HA LYS 5 3.378 5.307 9.010 25 HB2 LYS 5 HB2 LYS 5 2.673 7.353 6.905 26 HB3 LYS 5 HB1 LYS 5 2.880 7.611 8.638 27 HG2 LYS 5 HG2 LYS 5 5.219 7.307 8.525 28 HG3 LYS 5 HG1 LYS 5 5.130 6.526 6.946 29 HD2 LYS 5 HD2 LYS 5 4.569 8.595 5.861 30 HD3 LYS 5 HD1 LYS 5 4.338 9.411 7.408 31 HE2 LYS 5 HE2 LYS 5 6.978 8.175 7.191 32 HE3 LYS 5 HE1 LYS 5 6.693 9.373 5.929 33 HZ1 LYS 5 HZ1 LYS 5 6.042 9.945 8.751 34 HZ2 LYS 5 HZ2 LYS 5 6.321 11.038 7.479 35 HZ3 LYS 5 HZ3 LYS 5 7.615 10.170 8.157 Start of MODEL 3 1 H DBB 1 HT1 DBB 1 8.368 3.362 4.448 2 H1 DBB 1 HT2 DBB 1 7.820 4.966 4.572 3 HA DBB 1 HA DBB 1 6.092 4.448 3.375 4 HB2 DBB 1 HB1 DBB 1 7.422 1.828 2.737 5 HG1 DBB 1 HG1 DBB 1 5.074 2.960 1.761 6 HG2 DBB 1 HG2 DBB 1 4.512 1.879 3.037 7 HG3 DBB 1 HG3 DBB 1 5.493 1.249 1.716 8 HT3 DBB 1 HT3 DBB 1 8.873 4.519 3.316 9 HA PRO 2 HA PRO 2 7.279 6.643 2.982 10 HB2 PRO 2 HB2 PRO 2 5.853 8.253 0.989 11 HB3 PRO 2 HB1 PRO 2 7.385 8.591 1.812 12 HG2 PRO 2 HG2 PRO 2 7.216 7.984 -0.819 13 HG3 PRO 2 HG1 PRO 2 8.629 7.609 0.181 14 HD2 PRO 2 HD2 PRO 2 6.445 5.777 -0.757 15 HD3 PRO 2 HD1 PRO 2 8.184 5.452 -0.561 16 H GLY 3 HN GLY 3 4.879 5.125 1.079 17 HA2 GLY 3 HA2 GLY 3 2.493 6.218 2.074 18 HA3 GLY 3 HA1 GLY 3 2.705 4.587 1.436 19 H CYS 4 HN CYS 4 4.630 3.679 3.191 20 HA CYS 4 HA CYS 4 3.666 2.215 5.041 21 HB2 CYS 4 HB2 CYS 4 5.937 4.146 5.399 22 HB3 CYS 4 HB1 CYS 4 5.459 3.096 6.719 23 H LYS 5 HN LYS 5 4.664 4.971 6.939 24 HA LYS 5 HA LYS 5 2.616 4.843 8.771 25 HB2 LYS 5 HB2 LYS 5 3.293 7.582 8.545 26 HB3 LYS 5 HB1 LYS 5 3.935 6.403 9.689 27 HG2 LYS 5 HG2 LYS 5 5.729 5.814 8.218 28 HG3 LYS 5 HG1 LYS 5 5.000 6.692 6.873 29 HD2 LYS 5 HD2 LYS 5 5.216 8.793 8.322 30 HD3 LYS 5 HD1 LYS 5 6.260 7.834 9.371 31 HE2 LYS 5 HE2 LYS 5 7.769 8.870 7.880 32 HE3 LYS 5 HE1 LYS 5 7.558 7.252 7.208 33 HZ1 LYS 5 HZ1 LYS 5 7.211 8.532 5.368 34 HZ2 LYS 5 HZ2 LYS 5 6.525 9.820 6.239 35 HZ3 LYS 5 HZ3 LYS 5 5.618 8.415 5.939 Start of MODEL 4 1 H DBB 1 HT1 DBB 1 8.943 3.984 3.599 2 H1 DBB 1 HT2 DBB 1 7.931 3.637 4.920 3 HA DBB 1 HA DBB 1 6.077 4.428 3.401 4 HB2 DBB 1 HB1 DBB 1 7.464 1.839 2.786 5 HG1 DBB 1 HG1 DBB 1 5.158 2.970 1.723 6 HG2 DBB 1 HG2 DBB 1 4.539 1.878 2.962 7 HG3 DBB 1 HG3 DBB 1 5.580 1.259 1.681 8 HT3 DBB 1 HT3 DBB 1 7.999 5.212 4.289 9 HA PRO 2 HA PRO 2 7.242 6.722 3.048 10 HB2 PRO 2 HB2 PRO 2 5.747 8.148 0.944 11 HB3 PRO 2 HB1 PRO 2 7.177 8.665 1.856 12 HG2 PRO 2 HG2 PRO 2 7.280 8.005 -0.746 13 HG3 PRO 2 HG1 PRO 2 8.630 7.728 0.366 14 HD2 PRO 2 HD2 PRO 2 6.647 5.754 -0.716 15 HD3 PRO 2 HD1 PRO 2 8.381 5.545 -0.389 16 H GLY 3 HN GLY 3 4.871 5.243 0.979 17 HA2 GLY 3 HA2 GLY 3 2.457 6.148 1.974 18 HA3 GLY 3 HA1 GLY 3 2.758 4.517 1.377 19 H CYS 4 HN CYS 4 4.620 3.641 3.168 20 HA CYS 4 HA CYS 4 3.606 2.229 5.042 21 HB2 CYS 4 HB2 CYS 4 5.916 4.117 5.411 22 HB3 CYS 4 HB1 CYS 4 5.404 3.068 6.716 23 H LYS 5 HN LYS 5 4.683 4.840 7.003 24 HA LYS 5 HA LYS 5 3.322 5.260 9.007 25 HB2 LYS 5 HB2 LYS 5 2.884 7.360 6.875 26 HB3 LYS 5 HB1 LYS 5 2.767 7.603 8.617 27 HG2 LYS 5 HG2 LYS 5 4.949 8.299 8.255 28 HG3 LYS 5 HG1 LYS 5 5.217 6.588 8.592 29 HD2 LYS 5 HD2 LYS 5 6.283 6.516 6.599 30 HD3 LYS 5 HD1 LYS 5 4.680 6.618 5.869 31 HE2 LYS 5 HE2 LYS 5 6.315 8.355 5.034 32 HE3 LYS 5 HE1 LYS 5 4.828 9.021 5.708 33 HZ1 LYS 5 HZ1 LYS 5 5.903 9.867 7.484 34 HZ2 LYS 5 HZ2 LYS 5 7.237 9.840 6.432 35 HZ3 LYS 5 HZ3 LYS 5 7.022 8.597 7.570 Start of MODEL 5 1 H DBB 1 HT1 DBB 1 8.463 3.306 4.300 2 H1 DBB 1 HT2 DBB 1 7.787 4.820 4.670 3 HA DBB 1 HA DBB 1 6.090 4.444 3.375 4 HB2 DBB 1 HB1 DBB 1 7.408 1.828 2.699 5 HG1 DBB 1 HG1 DBB 1 5.057 2.978 1.747 6 HG2 DBB 1 HG2 DBB 1 4.500 1.877 3.009 7 HG3 DBB 1 HG3 DBB 1 5.478 1.268 1.674 8 HT3 DBB 1 HT3 DBB 1 8.815 4.650 3.328 9 HA PRO 2 HA PRO 2 7.258 6.616 3.022 10 HB2 PRO 2 HB2 PRO 2 5.874 8.312 1.083 11 HB3 PRO 2 HB1 PRO 2 7.427 8.581 1.893 12 HG2 PRO 2 HG2 PRO 2 7.187 8.044 -0.756 13 HG3 PRO 2 HG1 PRO 2 8.618 7.642 0.206 14 HD2 PRO 2 HD2 PRO 2 6.411 5.839 -0.733 15 HD3 PRO 2 HD1 PRO 2 8.149 5.501 -0.561 16 H GLY 3 HN GLY 3 4.885 5.101 1.114 17 HA2 GLY 3 HA2 GLY 3 2.490 6.215 2.085 18 HA3 GLY 3 HA1 GLY 3 2.700 4.587 1.439 19 H CYS 4 HN CYS 4 4.624 3.676 3.187 20 HA CYS 4 HA CYS 4 3.659 2.200 5.030 21 HB2 CYS 4 HB2 CYS 4 5.939 4.120 5.394 22 HB3 CYS 4 HB1 CYS 4 5.463 3.056 6.702 23 H LYS 5 HN LYS 5 4.662 5.007 6.867 24 HA LYS 5 HA LYS 5 2.401 4.843 8.574 25 HB2 LYS 5 HB2 LYS 5 4.212 7.241 8.365 26 HB3 LYS 5 HB1 LYS 5 3.384 6.607 9.788 27 HG2 LYS 5 HG2 LYS 5 5.292 5.506 10.273 28 HG3 LYS 5 HG1 LYS 5 4.940 4.467 8.891 29 HD2 LYS 5 HD2 LYS 5 6.184 5.970 7.409 30 HD3 LYS 5 HD1 LYS 5 6.497 7.066 8.755 31 HE2 LYS 5 HE2 LYS 5 7.655 4.357 8.208 32 HE3 LYS 5 HE1 LYS 5 8.460 5.827 8.759 33 HZ1 LYS 5 HZ1 LYS 5 6.805 3.938 10.314 34 HZ2 LYS 5 HZ2 LYS 5 7.060 5.529 10.853 35 HZ3 LYS 5 HZ3 LYS 5 8.380 4.481 10.635 Start of MODEL 6 1 H DBB 1 HT1 DBB 1 8.404 3.347 4.429 2 H1 DBB 1 HT2 DBB 1 7.825 4.933 4.615 3 HA DBB 1 HA DBB 1 6.105 4.444 3.397 4 HB2 DBB 1 HB1 DBB 1 7.446 1.839 2.734 5 HG1 DBB 1 HG1 DBB 1 5.534 1.273 1.675 6 HG2 DBB 1 HG2 DBB 1 5.115 2.984 1.734 7 HG3 DBB 1 HG3 DBB 1 4.531 1.888 2.988 8 HT3 DBB 1 HT3 DBB 1 8.876 4.552 3.334 9 HA PRO 2 HA PRO 2 7.250 6.622 3.042 10 HB2 PRO 2 HB2 PRO 2 5.997 8.550 1.540 11 HB3 PRO 2 HB1 PRO 2 7.754 8.319 1.587 12 HG2 PRO 2 HG2 PRO 2 5.792 7.498 -0.477 13 HG3 PRO 2 HG1 PRO 2 7.467 8.043 -0.658 14 HD2 PRO 2 HD2 PRO 2 6.680 5.397 -0.810 15 HD3 PRO 2 HD1 PRO 2 8.319 5.922 -0.373 16 H GLY 3 HN GLY 3 4.876 5.158 1.068 17 HA2 GLY 3 HA2 GLY 3 2.472 6.197 2.051 18 HA3 GLY 3 HA1 GLY 3 2.715 4.568 1.419 19 H CYS 4 HN CYS 4 4.632 3.676 3.178 20 HA CYS 4 HA CYS 4 3.651 2.213 5.032 21 HB2 CYS 4 HB2 CYS 4 5.939 4.127 5.401 22 HB3 CYS 4 HB1 CYS 4 5.450 3.066 6.707 23 H LYS 5 HN LYS 5 4.684 4.955 6.916 24 HA LYS 5 HA LYS 5 3.646 6.008 8.677 25 HB2 LYS 5 HB2 LYS 5 1.330 6.208 6.744 26 HB3 LYS 5 HB1 LYS 5 1.746 7.323 8.047 27 HG2 LYS 5 HG2 LYS 5 3.723 6.765 5.848 28 HG3 LYS 5 HG1 LYS 5 2.432 7.942 5.604 29 HD2 LYS 5 HD2 LYS 5 3.290 9.414 7.154 30 HD3 LYS 5 HD1 LYS 5 3.999 8.131 8.135 31 HE2 LYS 5 HE2 LYS 5 5.942 8.094 6.926 32 HE3 LYS 5 HE1 LYS 5 5.120 8.444 5.405 33 HZ1 LYS 5 HZ1 LYS 5 4.754 10.701 6.870 34 HZ2 LYS 5 HZ2 LYS 5 5.918 10.491 5.652 35 HZ3 LYS 5 HZ3 LYS 5 6.333 10.241 7.279 Start of MODEL 7 1 H DBB 1 HT1 DBB 1 8.421 3.135 3.997 2 H1 DBB 1 HT2 DBB 1 7.899 4.698 4.410 3 HA DBB 1 HA DBB 1 6.050 4.410 3.303 4 HB2 DBB 1 HB1 DBB 1 7.210 1.802 2.324 5 HG1 DBB 1 HG1 DBB 1 4.825 3.106 1.689 6 HG2 DBB 1 HG2 DBB 1 4.348 1.890 2.876 7 HG3 DBB 1 HG3 DBB 1 5.192 1.405 1.409 8 HT3 DBB 1 HT3 DBB 1 8.801 4.448 2.992 9 HA PRO 2 HA PRO 2 7.280 6.472 2.992 10 HB2 PRO 2 HB2 PRO 2 6.226 8.656 1.721 11 HB3 PRO 2 HB1 PRO 2 7.939 8.207 1.634 12 HG2 PRO 2 HG2 PRO 2 5.786 7.851 -0.365 13 HG3 PRO 2 HG1 PRO 2 7.515 8.147 -0.600 14 HD2 PRO 2 HD2 PRO 2 6.270 5.664 -0.866 15 HD3 PRO 2 HD1 PRO 2 8.011 5.908 -0.611 16 H GLY 3 HN GLY 3 4.823 4.977 1.409 17 HA2 GLY 3 HA2 GLY 3 2.538 6.366 2.490 18 HA3 GLY 3 HA1 GLY 3 2.556 4.791 1.690 19 H CYS 4 HN CYS 4 4.589 3.680 3.218 20 HA CYS 4 HA CYS 4 3.708 2.075 4.958 21 HB2 CYS 4 HB2 CYS 4 6.057 3.887 5.320 22 HB3 CYS 4 HB1 CYS 4 5.651 2.722 6.567 23 H LYS 5 HN LYS 5 4.266 5.403 6.084 24 HA LYS 5 HA LYS 5 3.195 5.173 8.626 25 HB2 LYS 5 HB2 LYS 5 3.408 7.448 6.680 26 HB3 LYS 5 HB1 LYS 5 2.575 7.668 8.218 27 HG2 LYS 5 HG2 LYS 5 4.505 7.601 9.413 28 HG3 LYS 5 HG1 LYS 5 5.162 6.281 8.445 29 HD2 LYS 5 HD2 LYS 5 4.917 8.974 7.166 30 HD3 LYS 5 HD1 LYS 5 6.220 8.722 8.329 31 HE2 LYS 5 HE2 LYS 5 5.777 6.647 6.217 32 HE3 LYS 5 HE1 LYS 5 6.570 8.154 5.760 33 HZ1 LYS 5 HZ1 LYS 5 8.085 7.765 7.702 34 HZ2 LYS 5 HZ2 LYS 5 8.259 6.667 6.417 35 HZ3 LYS 5 HZ3 LYS 5 7.426 6.207 7.824 Start of MODEL 8 1 H DBB 1 HT1 DBB 1 7.831 5.022 4.545 2 H1 DBB 1 HT2 DBB 1 8.903 4.408 3.378 3 HA DBB 1 HA DBB 1 6.089 4.440 3.384 4 HB2 DBB 1 HB1 DBB 1 7.432 1.829 2.748 5 HG1 DBB 1 HG1 DBB 1 5.103 2.970 1.740 6 HG2 DBB 1 HG2 DBB 1 4.515 1.882 2.999 7 HG3 DBB 1 HG3 DBB 1 5.518 1.258 1.692 8 HT3 DBB 1 HT3 DBB 1 8.269 3.384 4.576 9 HA PRO 2 HA PRO 2 7.262 6.665 3.016 10 HB2 PRO 2 HB2 PRO 2 5.811 8.224 0.994 11 HB3 PRO 2 HB1 PRO 2 7.311 8.620 1.850 12 HG2 PRO 2 HG2 PRO 2 7.234 8.006 -0.776 13 HG3 PRO 2 HG1 PRO 2 8.628 7.661 0.261 14 HD2 PRO 2 HD2 PRO 2 6.512 5.782 -0.739 15 HD3 PRO 2 HD1 PRO 2 8.252 5.498 -0.499 16 H GLY 3 HN GLY 3 4.876 5.175 1.033 17 HA2 GLY 3 HA2 GLY 3 2.475 6.185 2.024 18 HA3 GLY 3 HA1 GLY 3 2.727 4.552 1.408 19 H CYS 4 HN CYS 4 4.625 3.664 3.180 20 HA CYS 4 HA CYS 4 3.636 2.227 5.047 21 HB2 CYS 4 HB2 CYS 4 5.932 4.135 5.399 22 HB3 CYS 4 HB1 CYS 4 5.440 3.086 6.713 23 H LYS 5 HN LYS 5 4.686 4.899 6.991 24 HA LYS 5 HA LYS 5 1.922 5.218 7.973 25 HB2 LYS 5 HB2 LYS 5 3.073 5.966 10.113 26 HB3 LYS 5 HB1 LYS 5 3.242 4.258 9.708 27 HG2 LYS 5 HG2 LYS 5 5.351 5.739 8.428 28 HG3 LYS 5 HG1 LYS 5 5.318 6.147 10.143 29 HD2 LYS 5 HD2 LYS 5 5.390 3.772 10.739 30 HD3 LYS 5 HD1 LYS 5 5.349 3.325 9.034 31 HE2 LYS 5 HE2 LYS 5 7.565 3.679 8.799 32 HE3 LYS 5 HE1 LYS 5 7.463 5.252 9.588 33 HZ1 LYS 5 HZ1 LYS 5 8.668 3.103 10.642 34 HZ2 LYS 5 HZ2 LYS 5 7.130 2.990 11.353 35 HZ3 LYS 5 HZ3 LYS 5 8.060 4.397 11.552 Start of MODEL 9 1 H DBB 1 HT1 DBB 1 7.724 4.386 4.899 2 H1 DBB 1 HT2 DBB 1 8.563 5.021 3.564 3 HA DBB 1 HA DBB 1 6.083 4.437 3.378 4 HB2 DBB 1 HB1 DBB 1 7.417 1.829 2.714 5 HG1 DBB 1 HG1 DBB 1 5.077 2.981 1.739 6 HG2 DBB 1 HG2 DBB 1 4.506 1.876 2.992 7 HG3 DBB 1 HG3 DBB 1 5.497 1.271 1.667 8 HT3 DBB 1 HT3 DBB 1 8.714 3.376 3.963 9 HA PRO 2 HA PRO 2 7.261 6.650 3.019 10 HB2 PRO 2 HB2 PRO 2 5.835 8.260 1.024 11 HB3 PRO 2 HB1 PRO 2 7.353 8.610 1.869 12 HG2 PRO 2 HG2 PRO 2 7.228 8.024 -0.766 13 HG3 PRO 2 HG1 PRO 2 8.631 7.652 0.249 14 HD2 PRO 2 HD2 PRO 2 6.479 5.810 -0.738 15 HD3 PRO 2 HD1 PRO 2 8.216 5.501 -0.519 16 H GLY 3 HN GLY 3 4.878 5.133 1.085 17 HA2 GLY 3 HA2 GLY 3 2.484 6.206 2.075 18 HA3 GLY 3 HA1 GLY 3 2.706 4.578 1.435 19 H CYS 4 HN CYS 4 4.621 3.665 3.187 20 HA CYS 4 HA CYS 4 3.646 2.204 5.036 21 HB2 CYS 4 HB2 CYS 4 5.937 4.109 5.397 22 HB3 CYS 4 HB1 CYS 4 5.455 3.048 6.705 23 H LYS 5 HN LYS 5 4.672 4.980 6.893 24 HA LYS 5 HA LYS 5 2.856 4.941 8.860 25 HB2 LYS 5 HB2 LYS 5 3.315 7.652 7.723 26 HB3 LYS 5 HB1 LYS 5 3.497 7.076 9.380 27 HG2 LYS 5 HG2 LYS 5 5.722 7.415 8.681 28 HG3 LYS 5 HG1 LYS 5 5.481 5.683 8.448 29 HD2 LYS 5 HD2 LYS 5 6.221 6.071 6.337 30 HD3 LYS 5 HD1 LYS 5 4.593 6.690 6.054 31 HE2 LYS 5 HE2 LYS 5 6.448 8.263 5.355 32 HE3 LYS 5 HE1 LYS 5 5.297 8.952 6.501 33 HZ1 LYS 5 HZ1 LYS 5 6.809 8.954 8.168 34 HZ2 LYS 5 HZ2 LYS 5 7.892 9.093 6.866 35 HZ3 LYS 5 HZ3 LYS 5 7.628 7.582 7.599 Start of MODEL 10 1 H DBB 1 HT1 DBB 1 8.793 4.591 3.279 2 H1 DBB 1 HT2 DBB 1 8.399 3.269 4.273 3 HA DBB 1 HA DBB 1 6.051 4.424 3.342 4 HB2 DBB 1 HB1 DBB 1 7.356 1.825 2.578 5 HG1 DBB 1 HG1 DBB 1 5.399 1.299 1.587 6 HG2 DBB 1 HG2 DBB 1 4.982 3.006 1.727 7 HG3 DBB 1 HG3 DBB 1 4.458 1.865 2.965 8 HT3 DBB 1 HT3 DBB 1 7.765 4.809 4.610 9 HA PRO 2 HA PRO 2 7.264 6.596 3.023 10 HB2 PRO 2 HB2 PRO 2 5.919 8.355 1.112 11 HB3 PRO 2 HB1 PRO 2 7.477 8.574 1.926 12 HG2 PRO 2 HG2 PRO 2 7.238 8.093 -0.728 13 HG3 PRO 2 HG1 PRO 2 8.647 7.609 0.231 14 HD2 PRO 2 HD2 PRO 2 6.354 5.924 -0.728 15 HD3 PRO 2 HD1 PRO 2 8.080 5.511 -0.602 16 H GLY 3 HN GLY 3 4.871 5.024 1.253 17 HA2 GLY 3 HA2 GLY 3 2.510 6.276 2.249 18 HA3 GLY 3 HA1 GLY 3 2.638 4.667 1.534 19 H CYS 4 HN CYS 4 4.602 3.664 3.201 20 HA CYS 4 HA CYS 4 3.682 2.128 4.995 21 HB2 CYS 4 HB2 CYS 4 5.965 4.030 5.369 22 HB3 CYS 4 HB1 CYS 4 5.524 2.932 6.662 23 H LYS 5 HN LYS 5 4.552 5.204 6.545 24 HA LYS 5 HA LYS 5 2.036 5.042 8.074 25 HB2 LYS 5 HB2 LYS 5 3.371 6.470 9.765 26 HB3 LYS 5 HB1 LYS 5 3.746 4.753 9.660 27 HG2 LYS 5 HG2 LYS 5 5.884 5.636 9.561 28 HG3 LYS 5 HG1 LYS 5 5.498 5.594 7.845 29 HD2 LYS 5 HD2 LYS 5 4.465 8.015 8.477 30 HD3 LYS 5 HD1 LYS 5 5.755 7.921 9.674 31 HE2 LYS 5 HE2 LYS 5 7.084 8.699 8.004 32 HE3 LYS 5 HE1 LYS 5 7.039 7.041 7.408 33 HZ1 LYS 5 HZ1 LYS 5 5.953 7.731 5.624 34 HZ2 LYS 5 HZ2 LYS 5 6.051 9.336 6.174 35 HZ3 LYS 5 HZ3 LYS 5 4.709 8.375 6.581 Start of MODEL 11 1 H DBB 1 HT1 DBB 1 7.904 5.112 4.416 2 H1 DBB 1 HT2 DBB 1 8.938 4.243 3.385 3 HA DBB 1 HA DBB 1 6.089 4.441 3.384 4 HB2 DBB 1 HB1 DBB 1 7.430 1.830 2.746 5 HG1 DBB 1 HG1 DBB 1 5.097 2.972 1.744 6 HG2 DBB 1 HG2 DBB 1 4.515 1.880 3.002 7 HG3 DBB 1 HG3 DBB 1 5.516 1.260 1.691 8 HT3 DBB 1 HT3 DBB 1 8.167 3.457 4.679 9 HA PRO 2 HA PRO 2 7.263 6.663 3.013 10 HB2 PRO 2 HB2 PRO 2 5.816 8.230 0.995 11 HB3 PRO 2 HB1 PRO 2 7.322 8.617 1.846 12 HG2 PRO 2 HG2 PRO 2 7.227 8.004 -0.782 13 HG3 PRO 2 HG1 PRO 2 8.627 7.658 0.248 14 HD2 PRO 2 HD2 PRO 2 6.505 5.780 -0.742 15 HD3 PRO 2 HD1 PRO 2 8.245 5.494 -0.506 16 H GLY 3 HN GLY 3 4.878 5.165 1.042 17 HA2 GLY 3 HA2 GLY 3 2.478 6.189 2.030 18 HA3 GLY 3 HA1 GLY 3 2.725 4.557 1.412 19 H CYS 4 HN CYS 4 4.625 3.666 3.182 20 HA CYS 4 HA CYS 4 3.638 2.225 5.046 21 HB2 CYS 4 HB2 CYS 4 5.931 4.134 5.400 22 HB3 CYS 4 HB1 CYS 4 5.441 3.084 6.714 23 H LYS 5 HN LYS 5 4.683 4.910 6.981 24 HA LYS 5 HA LYS 5 2.216 4.883 8.450 25 HB2 LYS 5 HB2 LYS 5 3.314 6.648 9.812 26 HB3 LYS 5 HB1 LYS 5 4.321 5.211 9.628 27 HG2 LYS 5 HG2 LYS 5 5.544 6.308 7.779 28 HG3 LYS 5 HG1 LYS 5 4.551 7.751 7.986 29 HD2 LYS 5 HD2 LYS 5 5.968 8.479 9.573 30 HD3 LYS 5 HD1 LYS 5 5.573 7.065 10.552 31 HE2 LYS 5 HE2 LYS 5 7.271 5.780 9.145 32 HE3 LYS 5 HE1 LYS 5 7.788 7.343 8.512 33 HZ1 LYS 5 HZ1 LYS 5 8.696 7.945 10.475 34 HZ2 LYS 5 HZ2 LYS 5 8.840 6.264 10.674 35 HZ3 LYS 5 HZ3 LYS 5 7.556 7.103 11.407 Start of MODEL 12 1 H DBB 1 HT1 DBB 1 7.927 5.118 4.368 2 H1 DBB 1 HT2 DBB 1 8.939 4.248 3.315 3 HA DBB 1 HA DBB 1 6.092 4.448 3.372 4 HB2 DBB 1 HB1 DBB 1 7.416 1.828 2.728 5 HG1 DBB 1 HG1 DBB 1 5.066 2.964 1.760 6 HG2 DBB 1 HG2 DBB 1 4.507 1.880 3.035 7 HG3 DBB 1 HG3 DBB 1 5.485 1.252 1.711 8 HT3 DBB 1 HT3 DBB 1 8.199 3.465 4.629 9 HA PRO 2 HA PRO 2 7.281 6.641 2.977 10 HB2 PRO 2 HB2 PRO 2 5.855 8.256 0.989 11 HB3 PRO 2 HB1 PRO 2 7.391 8.588 1.807 12 HG2 PRO 2 HG2 PRO 2 7.209 7.983 -0.823 13 HG3 PRO 2 HG1 PRO 2 8.626 7.606 0.170 14 HD2 PRO 2 HD2 PRO 2 6.438 5.778 -0.761 15 HD3 PRO 2 HD1 PRO 2 8.175 5.451 -0.569 16 H GLY 3 HN GLY 3 4.878 5.122 1.082 17 HA2 GLY 3 HA2 GLY 3 2.494 6.220 2.077 18 HA3 GLY 3 HA1 GLY 3 2.703 4.589 1.440 19 H CYS 4 HN CYS 4 4.630 3.681 3.192 20 HA CYS 4 HA CYS 4 3.667 2.214 5.041 21 HB2 CYS 4 HB2 CYS 4 5.940 4.144 5.397 22 HB3 CYS 4 HB1 CYS 4 5.464 3.093 6.716 23 H LYS 5 HN LYS 5 4.664 4.972 6.941 24 HA LYS 5 HA LYS 5 2.254 4.842 8.490 25 HB2 LYS 5 HB2 LYS 5 3.355 6.977 9.532 26 HB3 LYS 5 HB1 LYS 5 4.101 5.400 9.792 27 HG2 LYS 5 HG2 LYS 5 5.007 6.631 7.306 28 HG3 LYS 5 HG1 LYS 5 5.350 7.646 8.707 29 HD2 LYS 5 HD2 LYS 5 6.584 5.913 9.788 30 HD3 LYS 5 HD1 LYS 5 5.995 4.693 8.657 31 HE2 LYS 5 HE2 LYS 5 7.137 6.170 6.838 32 HE3 LYS 5 HE1 LYS 5 8.022 6.870 8.193 33 HZ1 LYS 5 HZ1 LYS 5 7.844 3.946 7.885 34 HZ2 LYS 5 HZ2 LYS 5 9.022 4.869 8.691 35 HZ3 LYS 5 HZ3 LYS 5 8.987 4.826 6.992 Start of MODEL 13 1 H DBB 1 HT1 DBB 1 8.695 4.888 3.403 2 H1 DBB 1 HT2 DBB 1 8.655 3.307 4.025 3 HA DBB 1 HA DBB 1 6.106 4.449 3.382 4 HB2 DBB 1 HB1 DBB 1 7.409 1.834 2.679 5 HG1 DBB 1 HG1 DBB 1 4.503 1.889 2.981 6 HG2 DBB 1 HG2 DBB 1 5.480 1.303 1.637 7 HG3 DBB 1 HG3 DBB 1 5.063 3.012 1.739 8 HT3 DBB 1 HT3 DBB 1 7.790 4.551 4.796 9 HA PRO 2 HA PRO 2 7.258 6.602 3.024 10 HB2 PRO 2 HB2 PRO 2 6.044 8.570 1.546 11 HB3 PRO 2 HB1 PRO 2 7.794 8.301 1.584 12 HG2 PRO 2 HG2 PRO 2 5.811 7.555 -0.486 13 HG3 PRO 2 HG1 PRO 2 7.502 8.051 -0.662 14 HD2 PRO 2 HD2 PRO 2 6.623 5.428 -0.831 15 HD3 PRO 2 HD1 PRO 2 8.284 5.900 -0.420 16 H GLY 3 HN GLY 3 4.880 5.104 1.126 17 HA2 GLY 3 HA2 GLY 3 2.489 6.224 2.106 18 HA3 GLY 3 HA1 GLY 3 2.694 4.600 1.449 19 H CYS 4 HN CYS 4 4.631 3.685 3.190 20 HA CYS 4 HA CYS 4 3.665 2.196 5.021 21 HB2 CYS 4 HB2 CYS 4 5.949 4.107 5.394 22 HB3 CYS 4 HB1 CYS 4 5.475 3.033 6.695 23 H LYS 5 HN LYS 5 4.655 5.044 6.824 24 HA LYS 5 HA LYS 5 2.598 4.854 8.696 25 HB2 LYS 5 HB2 LYS 5 3.831 7.511 8.061 26 HB3 LYS 5 HB1 LYS 5 3.451 6.799 9.629 27 HG2 LYS 5 HG2 LYS 5 5.694 5.986 7.759 28 HG3 LYS 5 HG1 LYS 5 5.857 6.745 9.343 29 HD2 LYS 5 HD2 LYS 5 4.854 4.777 10.415 30 HD3 LYS 5 HD1 LYS 5 4.628 4.018 8.839 31 HE2 LYS 5 HE2 LYS 5 6.671 3.103 9.151 32 HE3 LYS 5 HE1 LYS 5 7.312 4.713 8.823 33 HZ1 LYS 5 HZ1 LYS 5 8.209 4.066 10.877 34 HZ2 LYS 5 HZ2 LYS 5 6.719 3.486 11.451 35 HZ3 LYS 5 HZ3 LYS 5 6.968 5.156 11.263 Start of MODEL 14 1 H DBB 1 HT1 DBB 1 8.789 4.692 3.490 2 H1 DBB 1 HT2 DBB 1 8.434 3.306 4.407 3 HA DBB 1 HA DBB 1 6.083 4.427 3.392 4 HB2 DBB 1 HB1 DBB 1 7.451 1.831 2.761 5 HG1 DBB 1 HG1 DBB 1 5.149 2.979 1.707 6 HG2 DBB 1 HG2 DBB 1 4.529 1.885 2.946 7 HG3 DBB 1 HG3 DBB 1 5.561 1.265 1.659 8 HT3 DBB 1 HT3 DBB 1 7.703 4.792 4.788 9 HA PRO 2 HA PRO 2 7.238 6.692 3.056 10 HB2 PRO 2 HB2 PRO 2 5.770 8.191 0.992 11 HB3 PRO 2 HB1 PRO 2 7.224 8.652 1.896 12 HG2 PRO 2 HG2 PRO 2 7.273 8.037 -0.723 13 HG3 PRO 2 HG1 PRO 2 8.634 7.720 0.366 14 HD2 PRO 2 HD2 PRO 2 6.599 5.795 -0.716 15 HD3 PRO 2 HD1 PRO 2 8.337 5.553 -0.421 16 H GLY 3 HN GLY 3 4.875 5.223 0.991 17 HA2 GLY 3 HA2 GLY 3 2.457 6.152 1.973 18 HA3 GLY 3 HA1 GLY 3 2.750 4.516 1.380 19 H CYS 4 HN CYS 4 4.616 3.641 3.166 20 HA CYS 4 HA CYS 4 3.601 2.236 5.051 21 HB2 CYS 4 HB2 CYS 4 5.927 4.111 5.398 22 HB3 CYS 4 HB1 CYS 4 5.421 3.061 6.705 23 H LYS 5 HN LYS 5 4.703 4.843 7.023 24 HA LYS 5 HA LYS 5 2.299 4.885 8.532 25 HB2 LYS 5 HB2 LYS 5 3.475 7.036 9.489 26 HB3 LYS 5 HB1 LYS 5 4.148 5.438 9.819 27 HG2 LYS 5 HG2 LYS 5 5.065 6.683 7.297 28 HG3 LYS 5 HG1 LYS 5 5.591 7.500 8.769 29 HD2 LYS 5 HD2 LYS 5 6.622 5.509 9.615 30 HD3 LYS 5 HD1 LYS 5 5.867 4.514 8.370 31 HE2 LYS 5 HE2 LYS 5 7.189 6.361 6.843 32 HE3 LYS 5 HE1 LYS 5 8.283 6.201 8.218 33 HZ1 LYS 5 HZ1 LYS 5 8.965 4.513 6.828 34 HZ2 LYS 5 HZ2 LYS 5 7.389 4.142 6.311 35 HZ3 LYS 5 HZ3 LYS 5 7.904 3.692 7.866 Start of MODEL 15 1 H DBB 1 HT1 DBB 1 8.039 3.620 4.820 2 H1 DBB 1 HT2 DBB 1 8.052 5.210 4.218 3 HA DBB 1 HA DBB 1 6.104 4.439 3.400 4 HB2 DBB 1 HB1 DBB 1 7.461 1.842 2.747 5 HG1 DBB 1 HG1 DBB 1 5.570 1.282 1.645 6 HG2 DBB 1 HG2 DBB 1 5.151 2.992 1.705 7 HG3 DBB 1 HG3 DBB 1 4.541 1.890 2.940 8 HT3 DBB 1 HT3 DBB 1 8.974 4.002 3.458 9 HA PRO 2 HA PRO 2 7.233 6.631 3.077 10 HB2 PRO 2 HB2 PRO 2 5.969 8.554 1.586 11 HB3 PRO 2 HB1 PRO 2 7.728 8.336 1.621 12 HG2 PRO 2 HG2 PRO 2 5.755 7.474 -0.425 13 HG3 PRO 2 HG1 PRO 2 7.405 8.084 -0.630 14 HD2 PRO 2 HD2 PRO 2 6.742 5.416 -0.794 15 HD3 PRO 2 HD1 PRO 2 8.352 5.998 -0.318 16 H GLY 3 HN GLY 3 4.879 5.201 1.029 17 HA2 GLY 3 HA2 GLY 3 2.455 6.162 1.993 18 HA3 GLY 3 HA1 GLY 3 2.742 4.531 1.386 19 H CYS 4 HN CYS 4 4.626 3.660 3.166 20 HA CYS 4 HA CYS 4 3.621 2.232 5.042 21 HB2 CYS 4 HB2 CYS 4 5.931 4.124 5.397 22 HB3 CYS 4 HB1 CYS 4 5.432 3.065 6.700 23 H LYS 5 HN LYS 5 4.704 4.882 6.969 24 HA LYS 5 HA LYS 5 2.899 4.968 8.893 25 HB2 LYS 5 HB2 LYS 5 3.521 7.587 7.552 26 HB3 LYS 5 HB1 LYS 5 3.394 7.224 9.272 27 HG2 LYS 5 HG2 LYS 5 5.707 7.317 9.003 28 HG3 LYS 5 HG1 LYS 5 5.402 5.594 8.783 29 HD2 LYS 5 HD2 LYS 5 6.585 5.898 6.853 30 HD3 LYS 5 HD1 LYS 5 5.036 6.478 6.239 31 HE2 LYS 5 HE2 LYS 5 6.408 8.264 5.676 32 HE3 LYS 5 HE1 LYS 5 5.850 8.776 7.268 33 HZ1 LYS 5 HZ1 LYS 5 8.163 9.034 7.298 34 HZ2 LYS 5 HZ2 LYS 5 8.438 7.536 6.547 35 HZ3 LYS 5 HZ3 LYS 5 7.884 7.595 8.152
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