NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
630994 | 5vl6 | 30287 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN 1 H1 ASN 1 -8.370 -3.331 1.605 2 H2 ASN 1 H2 ASN 1 -9.499 -4.527 1.487 3 H3 ASN 1 H3 ASN 1 -9.925 -3.046 2.074 4 HA ASN 1 HA ASN 1 -9.075 -3.690 -0.651 5 HB2 ASN 1 HB2 ASN 1 -11.350 -3.072 -1.374 6 HB3 ASN 1 HB3 ASN 1 -11.360 -4.449 -0.269 7 HD21 ASN 1 HD21 ASN 1 -12.818 -1.432 -0.992 8 HD22 ASN 1 HD22 ASN 1 -13.694 -1.219 0.508 9 H VAL 2 H VAL 2 -10.004 -0.963 1.525 10 HA VAL 2 HA VAL 2 -9.487 1.075 -0.490 11 HB VAL 2 HB VAL 2 -9.465 1.818 2.376 12 HG11 VAL 2 HG21 VAL 2 -9.427 3.504 0.546 13 HG12 VAL 2 HG22 VAL 2 -10.729 3.729 1.738 14 HG13 VAL 2 HG23 VAL 2 -11.095 3.034 0.141 15 HG21 VAL 2 HG11 VAL 2 -11.300 0.130 2.443 16 HG22 VAL 2 HG12 VAL 2 -11.806 1.792 2.828 17 HG23 VAL 2 HG13 VAL 2 -12.172 1.097 1.231 18 H HIS 3 H HIS 3 -7.360 -0.520 1.878 19 HA HIS 3 HA HIS 3 -5.395 1.353 2.455 20 HB2 HIS 3 HB3 HIS 3 -5.666 -1.072 3.224 21 HB3 HIS 3 HB2 HIS 3 -4.745 -1.524 1.778 22 HD2 HIS 3 HD2 HIS 3 -2.951 -2.509 3.739 23 HE1 HIS 3 HE1 HIS 3 -1.269 1.218 4.499 24 HE2 HIS 3 HE2 HIS 3 -0.867 -1.290 4.831 25 H THR 4 H THR 4 -5.602 -0.535 -0.587 26 HA THR 4 HA THR 4 -3.305 0.530 -1.914 27 HB THR 4 HB THR 4 -4.490 -0.272 -3.983 28 HG1 THR 4 HG1 THR 4 -6.638 0.109 -3.200 29 HG21 THR 4 HG21 THR 4 -4.532 -2.677 -3.479 30 HG22 THR 4 HG22 THR 4 -4.448 -2.315 -1.738 31 HG23 THR 4 HG23 THR 4 -3.088 -1.885 -2.803 32 H PHE 5 H PHE 5 -6.475 1.884 -1.438 33 HA PHE 5 HA PHE 5 -6.268 4.009 -3.416 34 HB2 PHE 5 HB3 PHE 5 -8.297 2.665 -3.116 35 HB3 PHE 5 HB2 PHE 5 -8.466 3.296 -1.476 36 HD1 PHE 5 HD1 PHE 5 -8.360 4.458 -5.056 37 HD2 PHE 5 HD2 PHE 5 -9.796 5.194 -1.081 38 HE1 PHE 5 HE1 PHE 5 -9.713 6.348 -5.890 39 HE2 PHE 5 HE2 PHE 5 -11.140 7.088 -1.920 40 HZ PHE 5 HZ PHE 5 -11.102 7.663 -4.325 41 H ARG 6 H ARG 6 -5.524 3.811 0.030 42 HA ARG 6 HA ARG 6 -5.186 6.766 0.018 43 HB2 ARG 6 HB3 ARG 6 -6.396 5.153 2.292 44 HB3 ARG 6 HB2 ARG 6 -6.051 6.893 2.318 45 HG2 ARG 6 HG2 ARG 6 -7.671 7.306 0.542 46 HG3 ARG 6 HG3 ARG 6 -7.936 5.572 0.310 47 HD2 ARG 6 HD2 ARG 6 -9.042 5.396 2.457 48 HD3 ARG 6 HD3 ARG 6 -8.628 7.077 2.857 49 HE ARG 6 HE ARG 6 -10.065 7.200 0.448 50 HH11 ARG 6 HH11 ARG 6 -10.811 6.088 3.784 51 HH12 ARG 6 HH12 ARG 6 -12.514 6.439 3.589 52 HH21 ARG 6 HH21 ARG 6 -12.232 7.594 0.314 53 HH22 ARG 6 HH22 ARG 6 -13.299 7.274 1.662 54 H GLY 7 H GLY 7 -3.230 6.050 -0.644 55 HA2 GLY 7 HA2 GLY 7 -0.988 6.666 0.172 56 HA3 GLY 7 HA3 GLY 7 -1.244 5.577 1.545 57 H ASP 8 H ASP 8 -2.269 4.516 -1.675 58 HA ASP 8 HA ASP 8 -1.773 2.655 -2.810 59 HB2 ASP 8 HB2 ASP 8 0.174 2.686 -4.120 60 HB3 ASP 8 HB3 ASP 8 -0.470 4.313 -3.927 61 H ASN 9 H ASN 9 -1.975 1.875 -0.198 62 HA ASN 9 HA ASN 9 -1.618 0.120 1.174 63 HB2 ASN 9 HB2 ASN 9 -1.998 -1.016 -1.005 64 HB3 ASN 9 HB3 ASN 9 -0.255 -1.282 -1.115 65 HD21 ASN 9 HD21 ASN 9 -3.253 -2.231 0.502 66 HD22 ASN 9 HD22 ASN 9 -2.614 -3.677 1.250 67 H VAL 10 H VAL 10 0.028 2.119 1.727 68 HA VAL 10 HA VAL 10 1.797 2.765 2.846 69 HB VAL 10 HB VAL 10 1.094 1.171 4.468 70 HG11 VAL 10 HG21 VAL 10 1.668 -1.003 3.421 71 HG12 VAL 10 HG22 VAL 10 3.387 -0.655 3.723 72 HG13 VAL 10 HG23 VAL 10 2.259 -0.821 5.090 73 HG21 VAL 10 HG11 VAL 10 2.864 2.864 4.879 74 HG22 VAL 10 HG12 VAL 10 2.959 1.440 5.943 75 HG23 VAL 10 HG13 VAL 10 4.087 1.606 4.576 76 H HIS 11 H HIS 11 2.229 3.183 0.563 77 HA HIS 11 HA HIS 11 3.724 3.661 -1.071 78 HB2 HIS 11 HB2 HIS 11 5.724 3.073 1.111 79 HB3 HIS 11 HB3 HIS 11 6.234 3.573 -0.503 80 HD2 HIS 11 HD2 HIS 11 7.296 5.388 1.520 81 HE1 HIS 11 HE1 HIS 11 4.112 8.009 0.981 82 HE2 HIS 11 HE2 HIS 11 6.496 7.881 1.912 83 H ASN 12 H ASN 12 2.480 1.335 -1.571 84 HA ASN 12 HA ASN 12 2.516 -0.494 -2.878 85 HB2 ASN 12 HB2 ASN 12 4.078 0.912 -4.308 86 HB3 ASN 12 HB3 ASN 12 5.403 -0.067 -3.655 87 HD21 ASN 12 HD21 ASN 12 2.263 -0.311 -5.409 88 HD22 ASN 12 HD22 ASN 12 2.677 -1.760 -6.299 89 H SER 13 H SER 13 2.549 -0.955 -0.252 90 HA SER 13 HA SER 13 2.964 -2.465 1.400 91 HB2 SER 13 HB3 SER 13 2.028 -3.991 -0.199 92 HB3 SER 13 HB2 SER 13 3.619 -4.260 -0.941 93 HG SER 13 HG SER 13 3.042 -5.925 0.549 94 H SER 14 H SER 14 4.559 -0.813 1.973 95 HA SER 14 HA SER 14 6.619 -0.102 2.686 96 HB2 SER 14 HB2 SER 14 6.207 -2.034 4.185 97 HB3 SER 14 HB3 SER 14 7.115 -3.083 3.074 98 HG SER 14 HG SER 14 8.418 -2.289 4.813 99 H SER 15 H SER 15 6.359 -0.118 -0.192 100 HA SER 15 HA SER 15 7.690 0.124 -2.094 101 HB2 SER 15 HB3 SER 15 9.384 1.107 -0.417 102 HB3 SER 15 HB2 SER 15 10.206 -0.466 -0.505 103 HG SER 15 HG SER 15 11.034 1.057 -2.039 104 H SER 16 H SER 16 7.738 -2.862 -0.300 105 HA SER 16 HA SER 16 7.771 -4.607 -2.570 106 HB2 SER 16 HB3 SER 16 10.312 -3.808 -2.252 107 HB3 SER 16 HB2 SER 16 10.287 -4.970 -0.909 108 HG SER 16 HG SER 16 10.974 -5.927 -2.898 109 H LEU 17 H LEU 17 8.583 -4.297 0.962 110 HA LEU 17 HA LEU 17 8.013 -7.112 1.523 111 HB2 LEU 17 HB2 LEU 17 8.573 -4.789 3.386 112 HB3 LEU 17 HB3 LEU 17 8.372 -6.459 3.918 113 HG LEU 17 HG LEU 17 10.564 -5.509 2.027 114 HD11 LEU 17 HD11 LEU 17 10.776 -4.463 4.272 115 HD12 LEU 17 HD12 LEU 17 10.786 -6.084 5.008 116 HD13 LEU 17 HD13 LEU 17 12.106 -5.592 3.920 117 HD21 LEU 17 HD21 LEU 17 10.065 -7.938 1.841 118 HD22 LEU 17 HD22 LEU 17 11.690 -7.626 2.496 119 HD23 LEU 17 HD23 LEU 17 10.371 -8.118 3.585 120 HXT LEU 17 HXT LEU 17 4.572 -6.986 2.181 Start of MODEL 2 1 H1 ASN 1 H1 ASN 1 -7.901 6.835 -8.131 2 H2 ASN 1 H2 ASN 1 -9.446 6.259 -8.099 3 H3 ASN 1 H3 ASN 1 -9.129 7.797 -7.596 4 HA ASN 1 HA ASN 1 -7.860 7.022 -5.745 5 HB2 ASN 1 HB2 ASN 1 -10.677 5.924 -6.050 6 HB3 ASN 1 HB3 ASN 1 -9.769 5.731 -4.545 7 HD21 ASN 1 HD21 ASN 1 -9.190 7.717 -3.322 8 HD22 ASN 1 HD22 ASN 1 -10.167 9.156 -3.516 9 H VAL 2 H VAL 2 -6.196 5.731 -7.041 10 HA VAL 2 HA VAL 2 -6.361 2.830 -6.333 11 HB VAL 2 HB VAL 2 -5.284 4.061 -8.886 12 HG11 VAL 2 HG11 VAL 2 -3.698 2.309 -8.100 13 HG12 VAL 2 HG12 VAL 2 -4.482 1.918 -9.650 14 HG13 VAL 2 HG13 VAL 2 -5.028 1.127 -8.151 15 HG21 VAL 2 HG21 VAL 2 -7.729 3.575 -8.901 16 HG22 VAL 2 HG22 VAL 2 -7.357 1.858 -8.614 17 HG23 VAL 2 HG23 VAL 2 -6.811 2.649 -10.112 18 H HIS 3 H HIS 3 -3.868 5.201 -7.512 19 HA HIS 3 HA HIS 3 -1.912 4.396 -5.525 20 HB2 HIS 3 HB3 HIS 3 -1.480 5.367 -7.882 21 HB3 HIS 3 HB2 HIS 3 -1.789 6.953 -7.148 22 HD2 HIS 3 HD2 HIS 3 -0.109 7.648 -4.996 23 HE1 HIS 3 HE1 HIS 3 3.029 5.221 -6.255 24 HE2 HIS 3 HE2 HIS 3 2.473 7.151 -4.664 25 H THR 4 H THR 4 -4.196 7.173 -5.820 26 HA THR 4 HA THR 4 -3.554 7.981 -3.043 27 HB THR 4 HB THR 4 -3.418 9.733 -4.735 28 HG1 THR 4 HG1 THR 4 -4.628 11.227 -3.534 29 HG21 THR 4 HG21 THR 4 -5.406 10.786 -5.727 30 HG22 THR 4 HG22 THR 4 -5.196 9.126 -6.335 31 HG23 THR 4 HG23 THR 4 -6.430 9.472 -5.099 32 H PHE 5 H PHE 5 -4.822 5.478 -3.333 33 HA PHE 5 HA PHE 5 -7.677 5.733 -2.749 34 HB2 PHE 5 HB2 PHE 5 -6.868 3.821 -4.042 35 HB3 PHE 5 HB3 PHE 5 -5.822 3.318 -2.714 36 HD1 PHE 5 HD1 PHE 5 -9.508 4.243 -2.804 37 HD2 PHE 5 HD2 PHE 5 -6.551 1.249 -1.964 38 HE1 PHE 5 HE1 PHE 5 -11.273 2.719 -1.995 39 HE2 PHE 5 HE2 PHE 5 -8.327 -0.281 -1.191 40 HZ PHE 5 HZ PHE 5 -10.686 0.452 -1.207 41 H ARG 6 H ARG 6 -5.109 4.097 -0.928 42 HA ARG 6 HA ARG 6 -5.725 5.630 1.562 43 HB2 ARG 6 HB2 ARG 6 -5.424 2.600 1.332 44 HB3 ARG 6 HB3 ARG 6 -5.620 3.505 2.846 45 HG2 ARG 6 HG2 ARG 6 -7.866 4.123 2.306 46 HG3 ARG 6 HG3 ARG 6 -7.682 3.642 0.612 47 HD2 ARG 6 HD3 ARG 6 -7.677 1.301 1.213 48 HD3 ARG 6 HD2 ARG 6 -7.616 1.699 2.943 49 HE ARG 6 HE ARG 6 -9.928 2.950 1.982 50 HH11 ARG 6 HH11 ARG 6 -8.801 -0.460 2.159 51 HH12 ARG 6 HH12 ARG 6 -10.439 -1.066 2.242 52 HH21 ARG 6 HH21 ARG 6 -11.952 2.068 2.086 53 HH22 ARG 6 HH22 ARG 6 -12.186 0.339 2.201 54 H GLY 7 H GLY 7 -3.685 6.176 -0.202 55 HA2 GLY 7 HA2 GLY 7 -1.446 6.785 -0.077 56 HA3 GLY 7 HA3 GLY 7 -1.292 5.893 1.444 57 H ASP 8 H ASP 8 -2.398 4.396 -1.607 58 HA ASP 8 HA ASP 8 -1.637 2.658 -2.831 59 HB2 ASP 8 HB2 ASP 8 -0.105 4.554 -3.488 60 HB3 ASP 8 HB3 ASP 8 1.157 3.757 -2.539 61 H ASN 9 H ASN 9 -2.013 1.895 -0.115 62 HA ASN 9 HA ASN 9 -1.625 0.239 1.353 63 HB2 ASN 9 HB3 ASN 9 -2.153 -0.968 -0.752 64 HB3 ASN 9 HB2 ASN 9 -0.426 -1.296 -0.936 65 HD21 ASN 9 HD21 ASN 9 -3.304 -1.991 1.068 66 HD22 ASN 9 HD22 ASN 9 -2.666 -3.459 1.776 67 H VAL 10 H VAL 10 0.065 2.174 1.800 68 HA VAL 10 HA VAL 10 1.835 2.822 2.890 69 HB VAL 10 HB VAL 10 1.146 1.215 4.525 70 HG11 VAL 10 HG11 VAL 10 1.816 -0.951 3.515 71 HG12 VAL 10 HG12 VAL 10 2.394 -0.717 5.182 72 HG13 VAL 10 HG13 VAL 10 3.517 -0.524 3.815 73 HG21 VAL 10 HG21 VAL 10 2.849 2.981 4.920 74 HG22 VAL 10 HG22 VAL 10 2.997 1.576 6.002 75 HG23 VAL 10 HG23 VAL 10 4.121 1.769 4.635 76 H HIS 11 H HIS 11 2.261 3.262 0.640 77 HA HIS 11 HA HIS 11 3.750 3.771 -0.989 78 HB2 HIS 11 HB2 HIS 11 5.765 3.118 1.158 79 HB3 HIS 11 HB3 HIS 11 6.261 3.661 -0.446 80 HD2 HIS 11 HD2 HIS 11 7.347 5.413 1.619 81 HE1 HIS 11 HE1 HIS 11 4.168 8.059 1.179 82 HE2 HIS 11 HE2 HIS 11 6.558 7.898 2.088 83 H ASN 12 H ASN 12 2.509 1.506 -1.567 84 HA ASN 12 HA ASN 12 2.493 -0.252 -2.956 85 HB2 ASN 12 HB2 ASN 12 4.261 1.204 -4.214 86 HB3 ASN 12 HB3 ASN 12 5.385 -0.074 -3.728 87 HD21 ASN 12 HD21 ASN 12 4.995 -2.286 -4.549 88 HD22 ASN 12 HD22 ASN 12 4.065 -2.512 -6.014 89 H SER 13 H SER 13 2.417 -0.871 -0.378 90 HA SER 13 HA SER 13 2.787 -2.481 1.196 91 HB2 SER 13 HB2 SER 13 2.922 -4.753 0.584 92 HB3 SER 13 HB3 SER 13 2.017 -3.939 -0.706 93 HG SER 13 HG SER 13 3.892 -5.513 -1.186 94 H SER 14 H SER 14 4.388 -0.845 1.918 95 HA SER 14 HA SER 14 6.443 -0.204 2.717 96 HB2 SER 14 HB2 SER 14 5.941 -2.207 4.099 97 HB3 SER 14 HB3 SER 14 6.882 -3.208 2.973 98 HG SER 14 HG SER 14 8.122 -2.518 4.799 99 H SER 15 H SER 15 6.285 -0.095 -0.179 100 HA SER 15 HA SER 15 7.697 0.194 -2.018 101 HB2 SER 15 HB2 SER 15 9.305 1.118 -0.233 102 HB3 SER 15 HB3 SER 15 10.134 -0.451 -0.328 103 HG SER 15 HG SER 15 11.035 1.120 -1.770 104 H SER 16 H SER 16 7.607 -2.858 -0.358 105 HA SER 16 HA SER 16 7.836 -4.476 -2.717 106 HB2 SER 16 HB2 SER 16 10.338 -3.765 -2.084 107 HB3 SER 16 HB3 SER 16 10.152 -5.010 -0.830 108 HG SER 16 HG SER 16 11.015 -5.857 -2.802 109 H LEU 17 H LEU 17 8.293 -4.430 0.900 110 HA LEU 17 HA LEU 17 7.491 -7.226 1.154 111 HB2 LEU 17 HB3 LEU 17 8.125 -5.159 3.273 112 HB3 LEU 17 HB2 LEU 17 7.740 -6.849 3.605 113 HG LEU 17 HG LEU 17 10.123 -5.959 1.937 114 HD11 LEU 17 HD21 LEU 17 10.305 -5.150 4.280 115 HD12 LEU 17 HD22 LEU 17 10.101 -6.822 4.856 116 HD13 LEU 17 HD23 LEU 17 11.530 -6.381 3.889 117 HD21 LEU 17 HD11 LEU 17 9.387 -8.292 1.492 118 HD22 LEU 17 HD12 LEU 17 10.992 -8.221 2.256 119 HD23 LEU 17 HD13 LEU 17 9.565 -8.663 3.224 120 HXT LEU 17 HXT LEU 17 4.295 -5.480 2.888 Start of MODEL 3 1 H1 ASN 1 H1 ASN 1 -4.896 7.110 -9.395 2 H2 ASN 1 H2 ASN 1 -5.946 7.504 -10.603 3 H3 ASN 1 H3 ASN 1 -5.568 5.923 -10.322 4 HA ASN 1 HA ASN 1 -7.051 7.723 -8.548 5 HB2 ASN 1 HB2 ASN 1 -7.943 5.392 -10.262 6 HB3 ASN 1 HB3 ASN 1 -8.919 6.008 -8.921 7 HD21 ASN 1 HD21 ASN 1 -8.148 6.365 -12.270 8 HD22 ASN 1 HD22 ASN 1 -9.031 7.847 -12.555 9 H VAL 2 H VAL 2 -6.033 4.265 -8.899 10 HA VAL 2 HA VAL 2 -6.582 3.570 -6.166 11 HB VAL 2 HB VAL 2 -4.592 2.113 -7.877 12 HG11 VAL 2 HG11 VAL 2 -4.819 1.369 -5.508 13 HG12 VAL 2 HG12 VAL 2 -5.198 0.112 -6.709 14 HG13 VAL 2 HG13 VAL 2 -6.514 0.944 -5.847 15 HG21 VAL 2 HG21 VAL 2 -6.644 2.381 -9.270 16 HG22 VAL 2 HG22 VAL 2 -6.247 0.693 -8.871 17 HG23 VAL 2 HG23 VAL 2 -7.563 1.525 -8.009 18 H HIS 3 H HIS 3 -3.591 4.942 -7.638 19 HA HIS 3 HA HIS 3 -1.767 4.434 -5.523 20 HB2 HIS 3 HB2 HIS 3 -1.336 5.371 -7.871 21 HB3 HIS 3 HB3 HIS 3 -1.753 6.961 -7.201 22 HD2 HIS 3 HD2 HIS 3 -0.141 7.854 -5.081 23 HE1 HIS 3 HE1 HIS 3 3.114 5.460 -6.080 24 HE2 HIS 3 HE2 HIS 3 2.441 7.462 -4.629 25 H THR 4 H THR 4 -4.148 7.115 -5.856 26 HA THR 4 HA THR 4 -3.564 7.961 -3.080 27 HB THR 4 HB THR 4 -3.468 9.699 -4.803 28 HG1 THR 4 HG1 THR 4 -4.696 11.174 -3.594 29 HG21 THR 4 HG21 THR 4 -5.492 10.702 -5.772 30 HG22 THR 4 HG22 THR 4 -5.257 9.043 -6.371 31 HG23 THR 4 HG23 THR 4 -6.479 9.373 -5.119 32 H PHE 5 H PHE 5 -4.836 5.395 -3.466 33 HA PHE 5 HA PHE 5 -7.675 5.652 -2.842 34 HB2 PHE 5 HB2 PHE 5 -6.959 3.728 -4.141 35 HB3 PHE 5 HB3 PHE 5 -5.882 3.199 -2.847 36 HD1 PHE 5 HD1 PHE 5 -9.562 4.105 -3.106 37 HD2 PHE 5 HD2 PHE 5 -6.620 1.277 -1.780 38 HE1 PHE 5 HE1 PHE 5 -11.349 2.665 -2.196 39 HE2 PHE 5 HE2 PHE 5 -8.415 -0.172 -0.902 40 HZ PHE 5 HZ PHE 5 -10.777 0.527 -1.096 41 H ARG 6 H ARG 6 -5.121 3.986 -1.030 42 HA ARG 6 HA ARG 6 -5.732 5.533 1.447 43 HB2 ARG 6 HB3 ARG 6 -5.503 2.495 1.284 44 HB3 ARG 6 HB2 ARG 6 -5.653 3.443 2.778 45 HG2 ARG 6 HG2 ARG 6 -7.869 4.121 2.265 46 HG3 ARG 6 HG3 ARG 6 -7.723 3.631 0.568 47 HD2 ARG 6 HD2 ARG 6 -9.067 1.986 1.496 48 HD3 ARG 6 HD3 ARG 6 -7.461 1.240 1.488 49 HE ARG 6 HE ARG 6 -7.859 2.481 4.023 50 HH11 ARG 6 HH11 ARG 6 -8.403 1.295 5.812 51 HH12 ARG 6 HH12 ARG 6 -9.133 -0.288 5.666 52 HH21 ARG 6 HH21 ARG 6 -9.157 -0.327 2.188 53 HH22 ARG 6 HH22 ARG 6 -9.552 -1.189 3.658 54 H GLY 7 H GLY 7 -3.722 6.126 -0.237 55 HA2 GLY 7 HA2 GLY 7 -1.490 6.736 -0.125 56 HA3 GLY 7 HA3 GLY 7 -1.333 5.845 1.395 57 H ASP 8 H ASP 8 -2.373 4.351 -1.690 58 HA ASP 8 HA ASP 8 -1.552 2.634 -2.911 59 HB2 ASP 8 HB2 ASP 8 -0.060 4.540 -3.551 60 HB3 ASP 8 HB3 ASP 8 1.195 3.831 -2.527 61 H ASN 9 H ASN 9 -1.992 1.841 -0.214 62 HA ASN 9 HA ASN 9 -1.611 0.185 1.259 63 HB2 ASN 9 HB3 ASN 9 -2.082 -1.012 -0.865 64 HB3 ASN 9 HB2 ASN 9 -0.348 -1.320 -1.016 65 HD21 ASN 9 HD21 ASN 9 -3.256 -2.062 0.924 66 HD22 ASN 9 HD22 ASN 9 -2.618 -3.528 1.633 67 H VAL 10 H VAL 10 0.061 2.143 1.737 68 HA VAL 10 HA VAL 10 1.810 2.803 2.856 69 HB VAL 10 HB VAL 10 1.096 1.210 4.489 70 HG11 VAL 10 HG11 VAL 10 1.764 -0.965 3.499 71 HG12 VAL 10 HG12 VAL 10 2.317 -0.728 5.173 72 HG13 VAL 10 HG13 VAL 10 3.464 -0.550 3.824 73 HG21 VAL 10 HG21 VAL 10 2.803 2.968 4.900 74 HG22 VAL 10 HG22 VAL 10 2.925 1.568 5.992 75 HG23 VAL 10 HG23 VAL 10 4.072 1.746 4.643 76 H HIS 11 H HIS 11 2.272 3.217 0.596 77 HA HIS 11 HA HIS 11 3.787 3.701 -1.020 78 HB2 HIS 11 HB2 HIS 11 5.759 3.110 1.186 79 HB3 HIS 11 HB3 HIS 11 6.289 3.620 -0.418 80 HD2 HIS 11 HD2 HIS 11 7.316 5.427 1.629 81 HE1 HIS 11 HE1 HIS 11 4.128 8.039 1.061 82 HE2 HIS 11 HE2 HIS 11 6.501 7.916 2.021 83 H ASN 12 H ASN 12 2.573 1.409 -1.567 84 HA ASN 12 HA ASN 12 2.602 -0.382 -2.916 85 HB2 ASN 12 HB3 ASN 12 4.284 1.020 -4.256 86 HB3 ASN 12 HB2 ASN 12 5.518 -0.075 -3.606 87 HD21 ASN 12 HD21 ASN 12 2.433 -0.034 -5.466 88 HD22 ASN 12 HD22 ASN 12 2.772 -1.485 -6.384 89 H SER 13 H SER 13 2.505 -0.929 -0.312 90 HA SER 13 HA SER 13 2.866 -2.492 1.308 91 HB2 SER 13 HB2 SER 13 3.006 -4.781 0.760 92 HB3 SER 13 HB3 SER 13 2.111 -4.005 -0.561 93 HG SER 13 HG SER 13 3.996 -5.590 -0.976 94 H SER 14 H SER 14 4.451 -0.836 1.998 95 HA SER 14 HA SER 14 6.495 -0.162 2.794 96 HB2 SER 14 HB2 SER 14 5.998 -2.130 4.225 97 HB3 SER 14 HB3 SER 14 6.953 -3.154 3.131 98 HG SER 14 HG SER 14 8.178 -2.408 4.945 99 H SER 15 H SER 15 6.353 -0.129 -0.105 100 HA SER 15 HA SER 15 7.771 0.124 -1.944 101 HB2 SER 15 HB3 SER 15 9.372 1.099 -0.175 102 HB3 SER 15 HB2 SER 15 10.206 -0.468 -0.233 103 HG SER 15 HG SER 15 11.105 1.072 -1.709 104 H SER 16 H SER 16 7.695 -2.882 -0.204 105 HA SER 16 HA SER 16 7.922 -4.569 -2.511 106 HB2 SER 16 HB3 SER 16 10.428 -3.825 -1.920 107 HB3 SER 16 HB2 SER 16 10.255 -5.033 -0.629 108 HG SER 16 HG SER 16 11.109 -5.934 -2.579 109 H LEU 17 H LEU 17 8.414 -4.402 1.096 110 HA LEU 17 HA LEU 17 7.591 -7.204 1.458 111 HB2 LEU 17 HB2 LEU 17 8.275 -5.039 3.469 112 HB3 LEU 17 HB3 LEU 17 7.877 -6.701 3.906 113 HG LEU 17 HG LEU 17 10.258 -5.898 2.180 114 HD11 LEU 17 HD21 LEU 17 10.447 -4.989 4.486 115 HD12 LEU 17 HD22 LEU 17 11.673 -6.233 4.143 116 HD13 LEU 17 HD23 LEU 17 10.251 -6.635 5.134 117 HD21 LEU 17 HD11 LEU 17 9.525 -8.250 1.839 118 HD22 LEU 17 HD12 LEU 17 9.710 -8.545 3.584 119 HD23 LEU 17 HD13 LEU 17 11.133 -8.143 2.593 120 HXT LEU 17 HXT LEU 17 4.129 -6.663 1.826 Start of MODEL 4 1 H1 ASN 1 H1 ASN 1 -8.635 -1.853 3.258 2 H2 ASN 1 H2 ASN 1 -10.280 -1.832 3.376 3 H3 ASN 1 H3 ASN 1 -9.467 -3.266 3.438 4 HA ASN 1 HA ASN 1 -8.759 -3.090 1.212 5 HB2 ASN 1 HB2 ASN 1 -10.967 -4.137 1.752 6 HB3 ASN 1 HB3 ASN 1 -11.759 -2.597 1.384 7 HD21 ASN 1 HD21 ASN 1 -12.280 -2.137 -0.772 8 HD22 ASN 1 HD22 ASN 1 -11.832 -3.160 -2.118 9 H VAL 2 H VAL 2 -11.234 -0.465 1.505 10 HA VAL 2 HA VAL 2 -9.956 1.161 -0.517 11 HB VAL 2 HB VAL 2 -11.878 2.295 1.475 12 HG11 VAL 2 HG21 VAL 2 -10.876 3.815 -0.224 13 HG12 VAL 2 HG22 VAL 2 -12.654 3.742 -0.258 14 HG13 VAL 2 HG23 VAL 2 -11.704 2.876 -1.490 15 HG21 VAL 2 HG11 VAL 2 -12.956 0.172 0.730 16 HG22 VAL 2 HG12 VAL 2 -12.900 0.781 -0.942 17 HG23 VAL 2 HG13 VAL 2 -13.851 1.646 0.289 18 H HIS 3 H HIS 3 -9.545 1.072 3.054 19 HA HIS 3 HA HIS 3 -8.336 3.604 3.471 20 HB2 HIS 3 HB2 HIS 3 -9.087 1.894 5.209 21 HB3 HIS 3 HB3 HIS 3 -7.535 1.073 4.946 22 HD2 HIS 3 HD2 HIS 3 -8.056 4.934 5.033 23 HE1 HIS 3 HE1 HIS 3 -5.629 3.981 8.278 24 HE2 HIS 3 HE2 HIS 3 -6.628 5.973 7.010 25 H THR 4 H THR 4 -6.842 0.559 2.340 26 HA THR 4 HA THR 4 -4.213 1.793 1.894 27 HB THR 4 HB THR 4 -3.679 -0.531 1.057 28 HG1 THR 4 HG1 THR 4 -5.856 -1.115 0.524 29 HG21 THR 4 HG21 THR 4 -3.703 -1.668 3.238 30 HG22 THR 4 HG22 THR 4 -3.142 0.016 3.370 31 HG23 THR 4 HG23 THR 4 -4.793 -0.414 3.877 32 H PHE 5 H PHE 5 -6.884 2.412 0.219 33 HA PHE 5 HA PHE 5 -6.174 1.762 -2.509 34 HB2 PHE 5 HB3 PHE 5 -8.525 2.012 -1.697 35 HB3 PHE 5 HB2 PHE 5 -8.243 3.749 -1.588 36 HD1 PHE 5 HD1 PHE 5 -7.869 1.034 -4.201 37 HD2 PHE 5 HD2 PHE 5 -9.128 5.034 -3.299 38 HE1 PHE 5 HE1 PHE 5 -8.620 1.329 -6.536 39 HE2 PHE 5 HE2 PHE 5 -9.873 5.323 -5.635 40 HZ PHE 5 HZ PHE 5 -9.620 3.472 -7.253 41 H ARG 6 H ARG 6 -6.315 4.808 -0.696 42 HA ARG 6 HA ARG 6 -4.813 6.162 -2.799 43 HB2 ARG 6 HB3 ARG 6 -6.134 7.436 -0.411 44 HB3 ARG 6 HB2 ARG 6 -5.566 8.224 -1.895 45 HG2 ARG 6 HG2 ARG 6 -7.191 6.700 -3.171 46 HG3 ARG 6 HG3 ARG 6 -7.877 6.253 -1.607 47 HD2 ARG 6 HD2 ARG 6 -7.812 9.067 -2.733 48 HD3 ARG 6 HD3 ARG 6 -9.192 7.960 -2.849 49 HE ARG 6 HE ARG 6 -8.484 8.207 -0.100 50 HH11 ARG 6 HH11 ARG 6 -9.905 10.281 -2.672 51 HH12 ARG 6 HH12 ARG 6 -10.768 11.254 -1.501 52 HH21 ARG 6 HH21 ARG 6 -9.621 9.505 1.283 53 HH22 ARG 6 HH22 ARG 6 -10.609 10.821 0.690 54 H GLY 7 H GLY 7 -4.097 5.004 0.341 55 HA2 GLY 7 HA2 GLY 7 -1.572 6.502 0.590 56 HA3 GLY 7 HA3 GLY 7 -2.124 5.171 1.631 57 H ASP 8 H ASP 8 -2.550 3.934 -1.365 58 HA ASP 8 HA ASP 8 -1.703 2.430 -2.729 59 HB2 ASP 8 HB3 ASP 8 0.918 3.884 -2.353 60 HB3 ASP 8 HB2 ASP 8 0.624 2.622 -3.557 61 H ASN 9 H ASN 9 -2.129 1.515 -0.140 62 HA ASN 9 HA ASN 9 -1.719 -0.198 1.265 63 HB2 ASN 9 HB2 ASN 9 -2.055 -1.338 -0.877 64 HB3 ASN 9 HB3 ASN 9 -0.305 -1.490 -1.059 65 HD21 ASN 9 HD21 ASN 9 -3.151 -2.602 0.782 66 HD22 ASN 9 HD22 ASN 9 -2.394 -4.043 1.423 67 H VAL 10 H VAL 10 -0.226 1.826 1.923 68 HA VAL 10 HA VAL 10 1.407 2.556 3.154 69 HB VAL 10 HB VAL 10 0.744 0.795 4.649 70 HG11 VAL 10 HG11 VAL 10 1.716 -1.234 3.597 71 HG12 VAL 10 HG12 VAL 10 3.335 -0.652 4.053 72 HG13 VAL 10 HG13 VAL 10 2.138 -1.034 5.315 73 HG21 VAL 10 HG21 VAL 10 2.217 2.700 5.264 74 HG22 VAL 10 HG22 VAL 10 2.430 1.259 6.286 75 HG23 VAL 10 HG23 VAL 10 3.627 1.640 5.025 76 H HIS 11 H HIS 11 1.948 3.147 0.967 77 HA HIS 11 HA HIS 11 3.511 3.892 -0.493 78 HB2 HIS 11 HB2 HIS 11 4.679 4.388 1.757 79 HB3 HIS 11 HB3 HIS 11 5.790 3.083 1.305 80 HD2 HIS 11 HD2 HIS 11 7.426 5.412 1.534 81 HE1 HIS 11 HE1 HIS 11 6.756 6.550 -2.411 82 HE2 HIS 11 HE2 HIS 11 8.327 6.954 -0.425 83 H ASN 12 H ASN 12 2.468 1.624 -1.352 84 HA ASN 12 HA ASN 12 2.677 -0.030 -2.859 85 HB2 ASN 12 HB3 ASN 12 4.300 1.574 -3.979 86 HB3 ASN 12 HB2 ASN 12 5.599 0.585 -3.298 87 HD21 ASN 12 HD21 ASN 12 2.875 0.592 -5.620 88 HD22 ASN 12 HD22 ASN 12 3.431 -0.789 -6.539 89 H SER 13 H SER 13 2.471 -0.849 -0.319 90 HA SER 13 HA SER 13 2.847 -2.553 1.147 91 HB2 SER 13 HB3 SER 13 3.214 -4.759 0.395 92 HB3 SER 13 HB2 SER 13 2.346 -3.920 -0.904 93 HG SER 13 HG SER 13 4.374 -5.307 -1.340 94 H SER 14 H SER 14 4.241 -0.876 2.148 95 HA SER 14 HA SER 14 6.181 -0.150 3.127 96 HB2 SER 14 HB3 SER 14 5.735 -2.321 4.275 97 HB3 SER 14 HB2 SER 14 6.885 -3.106 3.172 98 HG SER 14 HG SER 14 7.863 -2.470 5.168 99 H SER 15 H SER 15 6.217 0.060 0.166 100 HA SER 15 HA SER 15 7.730 0.494 -1.575 101 HB2 SER 15 HB2 SER 15 8.827 1.804 0.344 102 HB3 SER 15 HB3 SER 15 9.971 0.452 0.480 103 HG SER 15 HG SER 15 10.743 2.132 -0.910 104 H SER 16 H SER 16 7.692 -2.484 -0.089 105 HA SER 16 HA SER 16 9.193 -3.880 -2.173 106 HB2 SER 16 HB3 SER 16 10.723 -4.955 -0.417 107 HB3 SER 16 HB2 SER 16 11.037 -3.234 -0.690 108 HG SER 16 HG SER 16 10.985 -3.275 1.447 109 H LEU 17 H LEU 17 8.211 -4.519 1.290 110 HA LEU 17 HA LEU 17 5.903 -6.060 0.506 111 HB2 LEU 17 HB2 LEU 17 6.491 -8.241 1.519 112 HB3 LEU 17 HB3 LEU 17 7.233 -7.892 -0.038 113 HG LEU 17 HG LEU 17 8.893 -7.345 2.383 114 HD11 LEU 17 HD11 LEU 17 7.793 -9.491 2.990 115 HD12 LEU 17 HD12 LEU 17 9.545 -9.663 2.733 116 HD13 LEU 17 HD13 LEU 17 8.404 -10.209 1.480 117 HD21 LEU 17 HD21 LEU 17 9.806 -7.041 0.090 118 HD22 LEU 17 HD22 LEU 17 10.719 -8.236 1.043 119 HD23 LEU 17 HD23 LEU 17 9.577 -8.781 -0.210 120 HXT LEU 17 HXT LEU 17 6.688 -5.579 4.468 Start of MODEL 5 1 H1 ASN 1 H1 ASN 1 -11.323 2.303 -2.013 2 H2 ASN 1 H2 ASN 1 -11.976 1.940 -3.483 3 H3 ASN 1 H3 ASN 1 -11.006 0.847 -2.718 4 HA ASN 1 HA ASN 1 -9.107 2.227 -2.929 5 HB2 ASN 1 HB2 ASN 1 -10.676 1.606 -5.448 6 HB3 ASN 1 HB3 ASN 1 -9.049 2.294 -5.530 7 HD21 ASN 1 HD21 ASN 1 -10.923 -0.623 -5.107 8 HD22 ASN 1 HD22 ASN 1 -9.572 -1.710 -4.876 9 H VAL 2 H VAL 2 -10.464 4.201 -1.730 10 HA VAL 2 HA VAL 2 -10.939 6.493 -3.512 11 HB VAL 2 HB VAL 2 -10.986 6.257 -0.479 12 HG11 VAL 2 HG11 VAL 2 -10.502 8.605 -1.168 13 HG12 VAL 2 HG12 VAL 2 -12.063 8.421 -0.333 14 HG13 VAL 2 HG13 VAL 2 -12.016 8.612 -2.102 15 HG21 VAL 2 HG21 VAL 2 -12.836 5.022 -1.616 16 HG22 VAL 2 HG22 VAL 2 -13.359 6.551 -2.361 17 HG23 VAL 2 HG23 VAL 2 -13.407 6.361 -0.591 18 H HIS 3 H HIS 3 -8.740 6.045 -0.704 19 HA HIS 3 HA HIS 3 -6.732 7.970 -1.647 20 HB2 HIS 3 HB2 HIS 3 -7.639 7.366 0.717 21 HB3 HIS 3 HB3 HIS 3 -6.603 5.933 0.621 22 HD2 HIS 3 HD2 HIS 3 -5.012 8.954 -1.006 23 HE1 HIS 3 HE1 HIS 3 -3.465 8.900 2.859 24 HE2 HIS 3 HE2 HIS 3 -3.157 10.009 0.568 25 H THR 4 H THR 4 -7.251 5.108 -2.945 26 HA THR 4 HA THR 4 -6.267 3.662 -4.208 27 HB THR 4 HB THR 4 -4.191 3.784 -5.129 28 HG1 THR 4 HG1 THR 4 -2.489 4.988 -4.359 29 HG21 THR 4 HG21 THR 4 -3.885 6.099 -5.875 30 HG22 THR 4 HG22 THR 4 -5.587 5.581 -5.938 31 HG23 THR 4 HG23 THR 4 -5.029 6.647 -4.626 32 H PHE 5 H PHE 5 -7.207 2.625 -2.143 33 HA PHE 5 HA PHE 5 -7.245 0.858 -0.771 34 HB2 PHE 5 HB2 PHE 5 -6.108 -0.222 -2.832 35 HB3 PHE 5 HB3 PHE 5 -4.686 -0.329 -1.781 36 HD1 PHE 5 HD1 PHE 5 -8.199 -1.456 -2.254 37 HD2 PHE 5 HD2 PHE 5 -4.631 -1.920 0.082 38 HE1 PHE 5 HE1 PHE 5 -9.152 -3.473 -1.192 39 HE2 PHE 5 HE2 PHE 5 -5.589 -3.934 1.140 40 HZ PHE 5 HZ PHE 5 -7.845 -4.716 0.498 41 H ARG 6 H ARG 6 -6.697 2.953 0.506 42 HA ARG 6 HA ARG 6 -6.034 3.800 2.471 43 HB2 ARG 6 HB2 ARG 6 -5.174 0.988 3.154 44 HB3 ARG 6 HB3 ARG 6 -5.360 2.319 4.311 45 HG2 ARG 6 HG3 ARG 6 -7.559 1.863 4.503 46 HG3 ARG 6 HG2 ARG 6 -7.779 2.142 2.767 47 HD2 ARG 6 HD2 ARG 6 -7.236 -0.221 2.300 48 HD3 ARG 6 HD3 ARG 6 -6.988 -0.515 4.034 49 HE ARG 6 HE ARG 6 -9.594 0.591 3.676 50 HH11 ARG 6 HH11 ARG 6 -7.890 -2.490 2.945 51 HH12 ARG 6 HH12 ARG 6 -9.381 -3.403 2.998 52 HH21 ARG 6 HH21 ARG 6 -11.413 -0.666 3.712 53 HH22 ARG 6 HH22 ARG 6 -11.333 -2.390 3.423 54 H GLY 7 H GLY 7 -4.716 4.792 0.899 55 HA2 GLY 7 HA3 GLY 7 -2.863 6.135 0.575 56 HA3 GLY 7 HA2 GLY 7 -2.170 5.470 2.062 57 H ASP 8 H ASP 8 -2.929 4.143 -1.222 58 HA ASP 8 HA ASP 8 -1.704 2.857 -2.658 59 HB2 ASP 8 HB3 ASP 8 -0.493 5.045 -2.750 60 HB3 ASP 8 HB2 ASP 8 0.718 4.363 -1.658 61 H ASN 9 H ASN 9 -2.313 1.514 -0.210 62 HA ASN 9 HA ASN 9 -1.785 -0.274 1.077 63 HB2 ASN 9 HB2 ASN 9 -2.056 -1.195 -1.166 64 HB3 ASN 9 HB3 ASN 9 -0.304 -1.177 -1.392 65 HD21 ASN 9 HD21 ASN 9 -2.975 -2.689 0.460 66 HD22 ASN 9 HD22 ASN 9 -2.099 -4.151 0.857 67 H VAL 10 H VAL 10 -0.304 1.838 1.874 68 HA VAL 10 HA VAL 10 1.380 2.516 3.092 69 HB VAL 10 HB VAL 10 0.690 0.769 4.567 70 HG11 VAL 10 HG21 VAL 10 1.484 -1.284 3.420 71 HG12 VAL 10 HG22 VAL 10 1.972 -1.173 5.128 72 HG13 VAL 10 HG23 VAL 10 3.153 -0.832 3.841 73 HG21 VAL 10 HG11 VAL 10 2.305 2.551 5.190 74 HG22 VAL 10 HG12 VAL 10 2.453 1.068 6.163 75 HG23 VAL 10 HG13 VAL 10 3.634 1.409 4.876 76 H HIS 11 H HIS 11 1.869 3.043 0.795 77 HA HIS 11 HA HIS 11 3.406 3.683 -0.744 78 HB2 HIS 11 HB2 HIS 11 4.552 4.364 1.475 79 HB3 HIS 11 HB3 HIS 11 5.696 3.059 1.114 80 HD2 HIS 11 HD2 HIS 11 7.273 5.444 1.183 81 HE1 HIS 11 HE1 HIS 11 6.570 6.303 -2.827 82 HE2 HIS 11 HE2 HIS 11 8.130 6.876 -0.874 83 H ASN 12 H ASN 12 2.419 1.265 -1.358 84 HA ASN 12 HA ASN 12 2.683 -0.491 -2.742 85 HB2 ASN 12 HB3 ASN 12 5.565 0.311 -3.235 86 HB3 ASN 12 HB2 ASN 12 4.672 -0.946 -4.097 87 HD21 ASN 12 HD21 ASN 12 2.846 -0.274 -5.511 88 HD22 ASN 12 HD22 ASN 12 2.867 1.331 -6.206 89 H SER 13 H SER 13 2.535 -1.039 -0.118 90 HA SER 13 HA SER 13 2.949 -2.556 1.520 91 HB2 SER 13 HB2 SER 13 3.259 -4.837 0.992 92 HB3 SER 13 HB3 SER 13 2.337 -4.122 -0.346 93 HG SER 13 HG SER 13 4.322 -5.578 -0.737 94 H SER 14 H SER 14 4.449 -0.765 2.171 95 HA SER 14 HA SER 14 6.396 -0.015 3.071 96 HB2 SER 14 HB3 SER 14 6.018 -1.999 4.497 97 HB3 SER 14 HB2 SER 14 7.075 -2.951 3.432 98 HG SER 14 HG SER 14 8.198 -2.098 5.264 99 H SER 15 H SER 15 6.327 0.202 0.258 100 HA SER 15 HA SER 15 7.757 0.657 -1.530 101 HB2 SER 15 HB3 SER 15 9.328 1.485 0.341 102 HB3 SER 15 HB2 SER 15 10.195 -0.052 0.129 103 HG SER 15 HG SER 15 11.065 1.646 -1.179 104 H SER 16 H SER 16 7.768 -2.507 -0.075 105 HA SER 16 HA SER 16 8.051 -3.910 -2.565 106 HB2 SER 16 HB3 SER 16 10.530 -3.204 -1.863 107 HB3 SER 16 HB2 SER 16 10.364 -4.552 -0.717 108 HG SER 16 HG SER 16 11.249 -5.215 -2.748 109 H LEU 17 H LEU 17 8.682 -4.261 1.020 110 HA LEU 17 HA LEU 17 6.494 -6.115 1.299 111 HB2 LEU 17 HB2 LEU 17 7.694 -8.101 2.151 112 HB3 LEU 17 HB3 LEU 17 7.778 -7.856 0.409 113 HG LEU 17 HG LEU 17 10.107 -6.813 1.918 114 HD11 LEU 17 HD21 LEU 17 9.628 -8.859 3.247 115 HD12 LEU 17 HD22 LEU 17 11.168 -8.955 2.359 116 HD13 LEU 17 HD23 LEU 17 9.737 -9.827 1.757 117 HD21 LEU 17 HD11 LEU 17 10.050 -6.917 -0.565 118 HD22 LEU 17 HD12 LEU 17 11.414 -7.822 0.133 119 HD23 LEU 17 HD13 LEU 17 9.983 -8.693 -0.469 120 HXT LEU 17 HXT LEU 17 8.641 -4.972 4.560 Start of MODEL 6 1 H1 ASN 1 H1 ASN 1 -12.880 6.827 -5.268 2 H2 ASN 1 H2 ASN 1 -13.706 6.980 -3.849 3 H3 ASN 1 H3 ASN 1 -13.608 8.257 -4.887 4 HA ASN 1 HA ASN 1 -11.311 8.486 -4.576 5 HB2 ASN 1 HB3 ASN 1 -12.905 9.645 -3.033 6 HB3 ASN 1 HB2 ASN 1 -12.696 8.321 -1.877 7 HD21 ASN 1 HD21 ASN 1 -11.088 8.526 -0.347 8 HD22 ASN 1 HD22 ASN 1 -9.789 9.695 -0.426 9 H VAL 2 H VAL 2 -12.035 6.305 -1.780 10 HA VAL 2 HA VAL 2 -11.074 4.403 -0.998 11 HB VAL 2 HB VAL 2 -10.547 4.107 -3.897 12 HG11 VAL 2 HG21 VAL 2 -8.603 2.919 -2.915 13 HG12 VAL 2 HG22 VAL 2 -9.741 1.845 -2.067 14 HG13 VAL 2 HG23 VAL 2 -9.712 1.884 -3.846 15 HG21 VAL 2 HG11 VAL 2 -12.817 3.797 -2.966 16 HG22 VAL 2 HG12 VAL 2 -12.189 2.402 -3.876 17 HG23 VAL 2 HG13 VAL 2 -12.219 2.363 -2.097 18 H HIS 3 H HIS 3 -9.007 6.435 -2.758 19 HA HIS 3 HA HIS 3 -6.928 7.255 -2.652 20 HB2 HIS 3 HB3 HIS 3 -7.878 7.940 -0.541 21 HB3 HIS 3 HB2 HIS 3 -7.315 6.457 0.230 22 HD2 HIS 3 HD2 HIS 3 -5.094 8.770 -1.997 23 HE1 HIS 3 HE1 HIS 3 -3.590 8.958 1.880 24 HE2 HIS 3 HE2 HIS 3 -3.122 9.739 -0.515 25 H THR 4 H THR 4 -7.184 4.552 -3.422 26 HA THR 4 HA THR 4 -6.156 2.712 -4.007 27 HB THR 4 HB THR 4 -4.022 2.856 -4.928 28 HG1 THR 4 HG1 THR 4 -3.570 5.309 -3.610 29 HG21 THR 4 HG21 THR 4 -4.077 4.853 -6.346 30 HG22 THR 4 HG22 THR 4 -5.363 5.540 -5.326 31 HG23 THR 4 HG23 THR 4 -5.661 4.048 -6.250 32 H PHE 5 H PHE 5 -6.905 2.146 -1.659 33 HA PHE 5 HA PHE 5 -6.672 0.769 0.100 34 HB2 PHE 5 HB2 PHE 5 -4.092 -0.144 -1.151 35 HB3 PHE 5 HB3 PHE 5 -4.836 -0.889 0.267 36 HD1 PHE 5 HD1 PHE 5 -4.761 -0.750 -3.357 37 HD2 PHE 5 HD2 PHE 5 -7.141 -1.992 -0.010 38 HE1 PHE 5 HE1 PHE 5 -6.087 -2.215 -4.840 39 HE2 PHE 5 HE2 PHE 5 -8.460 -3.460 -1.498 40 HZ PHE 5 HZ PHE 5 -7.934 -3.571 -3.909 41 H ARG 6 H ARG 6 -6.330 3.278 0.671 42 HA ARG 6 HA ARG 6 -5.658 4.776 2.201 43 HB2 ARG 6 HB2 ARG 6 -5.002 2.306 3.805 44 HB3 ARG 6 HB3 ARG 6 -5.112 3.945 4.472 45 HG2 ARG 6 HG2 ARG 6 -7.376 3.886 4.521 46 HG3 ARG 6 HG3 ARG 6 -7.485 3.226 2.881 47 HD2 ARG 6 HD3 ARG 6 -7.170 0.957 3.725 48 HD3 ARG 6 HD2 ARG 6 -6.883 1.574 5.366 49 HE ARG 6 HE ARG 6 -9.425 2.522 4.513 50 HH11 ARG 6 HH11 ARG 6 -11.313 1.581 5.181 51 HH12 ARG 6 HH12 ARG 6 -11.349 -0.065 5.773 52 HH21 ARG 6 HH21 ARG 6 -7.943 -0.639 5.376 53 HH22 ARG 6 HH22 ARG 6 -9.483 -1.297 5.882 54 H GLY 7 H GLY 7 -4.167 5.045 0.434 55 HA2 GLY 7 HA3 GLY 7 -2.303 6.444 0.072 56 HA3 GLY 7 HA2 GLY 7 -1.580 5.871 1.582 57 H ASP 8 H ASP 8 -2.593 4.327 -1.551 58 HA ASP 8 HA ASP 8 -1.526 2.806 -2.886 59 HB2 ASP 8 HB2 ASP 8 -0.219 4.867 -3.281 60 HB3 ASP 8 HB3 ASP 8 1.002 4.295 -2.139 61 H ASN 9 H ASN 9 -2.080 1.739 -0.290 62 HA ASN 9 HA ASN 9 -1.607 0.032 1.115 63 HB2 ASN 9 HB2 ASN 9 -1.919 -1.016 -1.136 64 HB3 ASN 9 HB3 ASN 9 -0.167 -1.240 -1.208 65 HD21 ASN 9 HD21 ASN 9 -3.159 -2.215 0.480 66 HD22 ASN 9 HD22 ASN 9 -2.511 -3.699 1.143 67 H VAL 10 H VAL 10 0.034 2.123 1.652 68 HA VAL 10 HA VAL 10 1.809 2.802 2.738 69 HB VAL 10 HB VAL 10 1.040 1.287 4.414 70 HG11 VAL 10 HG11 VAL 10 1.622 -0.935 3.475 71 HG12 VAL 10 HG12 VAL 10 3.336 -0.585 3.802 72 HG13 VAL 10 HG13 VAL 10 2.176 -0.687 5.148 73 HG21 VAL 10 HG21 VAL 10 2.813 2.982 4.797 74 HG22 VAL 10 HG22 VAL 10 4.033 1.705 4.575 75 HG23 VAL 10 HG23 VAL 10 2.873 1.604 5.921 76 H HIS 11 H HIS 11 2.272 3.055 0.405 77 HA HIS 11 HA HIS 11 3.806 3.433 -1.219 78 HB2 HIS 11 HB2 HIS 11 5.773 2.945 1.017 79 HB3 HIS 11 HB3 HIS 11 6.304 3.353 -0.616 80 HD2 HIS 11 HD2 HIS 11 7.366 5.260 1.319 81 HE1 HIS 11 HE1 HIS 11 4.214 7.880 0.612 82 HE2 HIS 11 HE2 HIS 11 6.586 7.779 1.573 83 H ASN 12 H ASN 12 2.549 1.110 -1.608 84 HA ASN 12 HA ASN 12 2.549 -0.793 -2.790 85 HB2 ASN 12 HB3 ASN 12 5.363 -0.098 -3.655 86 HB3 ASN 12 HB2 ASN 12 4.468 -1.512 -4.233 87 HD21 ASN 12 HD21 ASN 12 2.192 -0.970 -5.166 88 HD22 ASN 12 HD22 ASN 12 2.104 0.447 -6.188 89 H SER 13 H SER 13 2.544 -1.150 -0.181 90 HA SER 13 HA SER 13 2.943 -2.583 1.534 91 HB2 SER 13 HB2 SER 13 3.143 -4.903 1.175 92 HB3 SER 13 HB3 SER 13 2.209 -4.261 -0.189 93 HG SER 13 HG SER 13 4.130 -5.827 -0.501 94 H SER 14 H SER 14 4.482 -0.871 2.146 95 HA SER 14 HA SER 14 6.518 -0.105 2.857 96 HB2 SER 14 HB3 SER 14 6.059 -2.024 4.386 97 HB3 SER 14 HB2 SER 14 7.093 -3.045 3.365 98 HG SER 14 HG SER 14 8.235 -2.137 5.157 99 H SER 15 H SER 15 6.354 -0.374 -0.087 100 HA SER 15 HA SER 15 7.765 -0.310 -1.963 101 HB2 SER 15 HB2 SER 15 9.089 1.189 -0.348 102 HB3 SER 15 HB3 SER 15 10.148 -0.211 -0.075 103 HG SER 15 HG SER 15 10.922 1.175 -1.758 104 H SER 16 H SER 16 7.689 -3.017 0.006 105 HA SER 16 HA SER 16 8.892 -4.827 -1.943 106 HB2 SER 16 HB2 SER 16 10.543 -5.701 -0.202 107 HB3 SER 16 HB3 SER 16 10.916 -4.068 -0.775 108 HG SER 16 HG SER 16 11.093 -3.811 1.351 109 H LEU 17 H LEU 17 8.213 -4.802 1.654 110 HA LEU 17 HA LEU 17 5.804 -6.393 1.353 111 HB2 LEU 17 HB3 LEU 17 6.416 -8.376 2.628 112 HB3 LEU 17 HB2 LEU 17 7.266 -8.271 1.090 113 HG LEU 17 HG LEU 17 8.740 -7.325 3.509 114 HD11 LEU 17 HD21 LEU 17 7.662 -9.419 4.305 115 HD12 LEU 17 HD22 LEU 17 8.401 -10.293 2.943 116 HD13 LEU 17 HD23 LEU 17 9.433 -9.555 4.191 117 HD21 LEU 17 HD11 LEU 17 9.805 -7.271 1.263 118 HD22 LEU 17 HD12 LEU 17 10.681 -8.302 2.419 119 HD23 LEU 17 HD13 LEU 17 9.651 -9.042 1.171 120 HXT LEU 17 HXT LEU 17 4.993 -5.010 4.453 Start of MODEL 7 1 H1 ASN 1 H1 ASN 1 -2.934 4.410 8.278 2 H2 ASN 1 H2 ASN 1 -3.617 5.009 9.654 3 H3 ASN 1 H3 ASN 1 -2.975 6.038 8.537 4 HA ASN 1 HA ASN 1 -5.333 4.319 8.172 5 HB2 ASN 1 HB2 ASN 1 -5.516 6.377 9.678 6 HB3 ASN 1 HB3 ASN 1 -5.182 7.365 8.247 7 HD21 ASN 1 HD21 ASN 1 -6.953 8.062 7.073 8 HD22 ASN 1 HD22 ASN 1 -8.558 7.376 7.193 9 H VAL 2 H VAL 2 -3.735 3.524 6.405 10 HA VAL 2 HA VAL 2 -3.208 5.084 4.021 11 HB VAL 2 HB VAL 2 -3.607 2.073 4.072 12 HG11 VAL 2 HG21 VAL 2 -2.960 3.150 1.932 13 HG12 VAL 2 HG22 VAL 2 -1.400 3.580 2.672 14 HG13 VAL 2 HG23 VAL 2 -1.853 1.869 2.483 15 HG21 VAL 2 HG11 VAL 2 -2.238 2.497 6.112 16 HG22 VAL 2 HG12 VAL 2 -1.436 1.495 4.880 17 HG23 VAL 2 HG13 VAL 2 -0.982 3.205 5.068 18 H HIS 3 H HIS 3 -5.846 2.931 4.996 19 HA HIS 3 HA HIS 3 -7.846 2.336 4.218 20 HB2 HIS 3 HB2 HIS 3 -8.200 4.685 4.100 21 HB3 HIS 3 HB3 HIS 3 -7.534 4.762 2.464 22 HD2 HIS 3 HD2 HIS 3 -9.346 4.985 0.652 23 HE1 HIS 3 HE1 HIS 3 -12.473 2.940 2.483 24 HE2 HIS 3 HE2 HIS 3 -11.872 4.238 0.355 25 H THR 4 H THR 4 -5.313 1.436 3.072 26 HA THR 4 HA THR 4 -4.282 0.279 1.490 27 HB THR 4 HB THR 4 -4.974 -1.959 1.485 28 HG1 THR 4 HG1 THR 4 -7.495 -1.182 2.489 29 HG21 THR 4 HG21 THR 4 -5.367 -2.483 3.845 30 HG22 THR 4 HG22 THR 4 -4.081 -1.271 3.633 31 HG23 THR 4 HG23 THR 4 -5.700 -0.766 4.173 32 H PHE 5 H PHE 5 -5.552 2.224 0.127 33 HA PHE 5 HA PHE 5 -5.261 1.342 -2.552 34 HB2 PHE 5 HB2 PHE 5 -7.504 0.433 -2.282 35 HB3 PHE 5 HB3 PHE 5 -8.120 2.019 -1.813 36 HD1 PHE 5 HD1 PHE 5 -9.011 3.463 -3.456 37 HD2 PHE 5 HD2 PHE 5 -6.499 0.210 -4.688 38 HE1 PHE 5 HE1 PHE 5 -9.512 3.967 -5.823 39 HE2 PHE 5 HE2 PHE 5 -7.009 0.716 -7.052 40 HZ PHE 5 HZ PHE 5 -8.515 2.594 -7.618 41 H ARG 6 H ARG 6 -6.435 3.903 -0.359 42 HA ARG 6 HA ARG 6 -5.682 5.879 -2.374 43 HB2 ARG 6 HB3 ARG 6 -7.256 6.306 0.152 44 HB3 ARG 6 HB2 ARG 6 -6.993 7.490 -1.147 45 HG2 ARG 6 HG3 ARG 6 -8.006 5.755 -2.763 46 HG3 ARG 6 HG2 ARG 6 -8.468 4.820 -1.336 47 HD2 ARG 6 HD2 ARG 6 -9.953 6.609 -0.588 48 HD3 ARG 6 HD3 ARG 6 -9.452 7.627 -1.957 49 HE ARG 6 HE ARG 6 -10.388 5.140 -2.993 50 HH11 ARG 6 HH11 ARG 6 -11.791 8.021 -1.361 51 HH12 ARG 6 HH12 ARG 6 -13.349 7.769 -2.115 52 HH21 ARG 6 HH21 ARG 6 -12.398 4.924 -3.884 53 HH22 ARG 6 HH22 ARG 6 -13.683 6.051 -3.513 54 H GLY 7 H GLY 7 -4.221 4.594 0.284 55 HA2 GLY 7 HA2 GLY 7 -2.174 6.757 0.507 56 HA3 GLY 7 HA3 GLY 7 -2.404 5.409 1.642 57 H ASP 8 H ASP 8 -2.690 4.063 -1.449 58 HA ASP 8 HA ASP 8 -1.475 2.837 -2.862 59 HB2 ASP 8 HB3 ASP 8 -0.181 4.943 -3.196 60 HB3 ASP 8 HB2 ASP 8 1.016 4.335 -2.047 61 H ASN 9 H ASN 9 -2.156 1.717 -0.355 62 HA ASN 9 HA ASN 9 -1.652 0.049 1.115 63 HB2 ASN 9 HB3 ASN 9 -2.014 -0.990 -1.126 64 HB3 ASN 9 HB2 ASN 9 -0.263 -1.195 -1.250 65 HD21 ASN 9 HD21 ASN 9 -3.173 -2.235 0.549 66 HD22 ASN 9 HD22 ASN 9 -2.478 -3.725 1.147 67 H VAL 10 H VAL 10 0.037 2.112 1.656 68 HA VAL 10 HA VAL 10 1.819 2.746 2.756 69 HB VAL 10 HB VAL 10 1.067 1.186 4.401 70 HG11 VAL 10 HG21 VAL 10 1.636 -1.012 3.400 71 HG12 VAL 10 HG22 VAL 10 2.212 -0.804 5.071 72 HG13 VAL 10 HG23 VAL 10 3.355 -0.670 3.713 73 HG21 VAL 10 HG11 VAL 10 2.847 2.872 4.803 74 HG22 VAL 10 HG12 VAL 10 2.920 1.465 5.892 75 HG23 VAL 10 HG13 VAL 10 4.063 1.600 4.534 76 H HIS 11 H HIS 11 2.246 3.051 0.415 77 HA HIS 11 HA HIS 11 3.748 3.431 -1.241 78 HB2 HIS 11 HB2 HIS 11 5.733 2.984 0.988 79 HB3 HIS 11 HB3 HIS 11 6.252 3.399 -0.647 80 HD2 HIS 11 HD2 HIS 11 7.285 5.330 1.271 81 HE1 HIS 11 HE1 HIS 11 4.079 7.888 0.575 82 HE2 HIS 11 HE2 HIS 11 6.460 7.836 1.522 83 H ASN 12 H ASN 12 2.535 1.073 -1.598 84 HA ASN 12 HA ASN 12 2.565 -0.815 -2.809 85 HB2 ASN 12 HB2 ASN 12 5.432 -0.250 -3.589 86 HB3 ASN 12 HB3 ASN 12 4.412 -1.521 -4.274 87 HD21 ASN 12 HD21 ASN 12 2.492 -0.819 -5.585 88 HD22 ASN 12 HD22 ASN 12 2.559 0.726 -6.403 89 H SER 13 H SER 13 2.582 -1.121 -0.153 90 HA SER 13 HA SER 13 2.990 -2.531 1.586 91 HB2 SER 13 HB2 SER 13 2.054 -4.149 0.092 92 HB3 SER 13 HB3 SER 13 3.639 -4.465 -0.643 93 HG SER 13 HG SER 13 3.070 -6.036 0.950 94 H SER 14 H SER 14 4.579 -0.861 2.074 95 HA SER 14 HA SER 14 6.630 -0.109 2.766 96 HB2 SER 14 HB2 SER 14 6.214 -1.962 4.359 97 HB3 SER 14 HB3 SER 14 7.131 -3.065 3.310 98 HG SER 14 HG SER 14 8.421 -2.179 5.012 99 H SER 15 H SER 15 6.396 -0.260 -0.107 100 HA SER 15 HA SER 15 7.748 -0.105 -2.004 101 HB2 SER 15 HB3 SER 15 9.436 0.938 -0.354 102 HB3 SER 15 HB2 SER 15 10.248 -0.642 -0.372 103 HG SER 15 HG SER 15 11.096 0.810 -1.961 104 H SER 16 H SER 16 7.774 -3.008 -0.072 105 HA SER 16 HA SER 16 7.803 -4.858 -2.257 106 HB2 SER 16 HB2 SER 16 10.343 -4.053 -1.983 107 HB3 SER 16 HB3 SER 16 10.323 -5.144 -0.581 108 HG SER 16 HG SER 16 11.003 -6.201 -2.521 109 H LEU 17 H LEU 17 8.616 -4.382 1.256 110 HA LEU 17 HA LEU 17 8.051 -7.166 1.955 111 HB2 LEU 17 HB2 LEU 17 8.597 -4.749 3.700 112 HB3 LEU 17 HB3 LEU 17 8.400 -6.391 4.315 113 HG LEU 17 HG LEU 17 10.595 -5.530 2.386 114 HD11 LEU 17 HD21 LEU 17 10.797 -4.372 4.575 115 HD12 LEU 17 HD22 LEU 17 10.812 -5.954 5.391 116 HD13 LEU 17 HD23 LEU 17 12.132 -5.513 4.281 117 HD21 LEU 17 HD11 LEU 17 10.103 -7.967 2.320 118 HD22 LEU 17 HD12 LEU 17 10.406 -8.059 4.071 119 HD23 LEU 17 HD13 LEU 17 11.726 -7.618 2.962 120 HXT LEU 17 HXT LEU 17 4.607 -7.018 2.597 Start of MODEL 8 1 H1 ASN 1 H1 ASN 1 -5.163 7.711 -8.600 2 H2 ASN 1 H2 ASN 1 -5.650 6.666 -9.778 3 H3 ASN 1 H3 ASN 1 -6.171 8.230 -9.797 4 HA ASN 1 HA ASN 1 -7.417 7.959 -7.831 5 HB2 ASN 1 HB3 ASN 1 -7.977 5.905 -9.992 6 HB3 ASN 1 HB2 ASN 1 -9.077 6.199 -8.638 7 HD21 ASN 1 HD21 ASN 1 -8.144 7.230 -11.809 8 HD22 ASN 1 HD22 ASN 1 -9.158 8.653 -11.889 9 H VAL 2 H VAL 2 -6.078 4.713 -8.729 10 HA VAL 2 HA VAL 2 -6.656 3.519 -6.175 11 HB VAL 2 HB VAL 2 -4.516 2.528 -8.033 12 HG11 VAL 2 HG21 VAL 2 -4.711 1.388 -5.826 13 HG12 VAL 2 HG22 VAL 2 -4.968 0.319 -7.225 14 HG13 VAL 2 HG23 VAL 2 -6.360 0.889 -6.274 15 HG21 VAL 2 HG11 VAL 2 -6.565 2.856 -9.418 16 HG22 VAL 2 HG12 VAL 2 -6.034 1.162 -9.291 17 HG23 VAL 2 HG13 VAL 2 -7.426 1.733 -8.339 18 H HIS 3 H HIS 3 -3.726 5.295 -7.314 19 HA HIS 3 HA HIS 3 -1.958 4.619 -5.190 20 HB2 HIS 3 HB2 HIS 3 -1.504 5.854 -7.403 21 HB3 HIS 3 HB3 HIS 3 -2.002 7.327 -6.550 22 HD2 HIS 3 HD2 HIS 3 0.953 5.022 -7.083 23 HE1 HIS 3 HE1 HIS 3 2.110 7.513 -3.956 24 HE2 HIS 3 HE2 HIS 3 3.019 5.772 -5.601 25 H THR 4 H THR 4 -4.468 7.165 -5.341 26 HA THR 4 HA THR 4 -4.086 7.842 -2.485 27 HB THR 4 HB THR 4 -5.658 9.698 -3.004 28 HG1 THR 4 HG1 THR 4 -5.481 8.849 -5.704 29 HG21 THR 4 HG21 THR 4 -4.218 11.081 -4.437 30 HG22 THR 4 HG22 THR 4 -3.283 9.637 -4.893 31 HG23 THR 4 HG23 THR 4 -3.280 10.204 -3.205 32 H PHE 5 H PHE 5 -5.190 5.162 -3.273 33 HA PHE 5 HA PHE 5 -8.046 5.174 -2.740 34 HB2 PHE 5 HB2 PHE 5 -7.111 3.445 -4.171 35 HB3 PHE 5 HB3 PHE 5 -6.095 2.852 -2.859 36 HD1 PHE 5 HD1 PHE 5 -6.758 0.670 -2.437 37 HD2 PHE 5 HD2 PHE 5 -9.808 3.645 -2.938 38 HE1 PHE 5 HE1 PHE 5 -8.491 -1.013 -1.924 39 HE2 PHE 5 HE2 PHE 5 -11.533 1.964 -2.389 40 HZ PHE 5 HZ PHE 5 -10.876 -0.368 -1.901 41 H ARG 6 H ARG 6 -5.447 3.556 -0.957 42 HA ARG 6 HA ARG 6 -6.338 4.737 1.637 43 HB2 ARG 6 HB2 ARG 6 -5.756 1.789 1.107 44 HB3 ARG 6 HB3 ARG 6 -6.110 2.500 2.693 45 HG2 ARG 6 HG2 ARG 6 -8.373 2.970 2.098 46 HG3 ARG 6 HG3 ARG 6 -8.062 2.726 0.372 47 HD2 ARG 6 HD2 ARG 6 -7.896 0.351 0.657 48 HD3 ARG 6 HD3 ARG 6 -7.889 0.501 2.426 49 HE ARG 6 HE ARG 6 -10.293 1.675 1.568 50 HH11 ARG 6 HH11 ARG 6 -12.232 0.611 1.513 51 HH12 ARG 6 HH12 ARG 6 -12.309 -1.134 1.419 52 HH21 ARG 6 HH21 ARG 6 -8.867 -1.622 1.375 53 HH22 ARG 6 HH22 ARG 6 -10.447 -2.373 1.343 54 H GLY 7 H GLY 7 -4.274 5.661 0.098 55 HA2 GLY 7 HA2 GLY 7 -2.108 6.432 0.412 56 HA3 GLY 7 HA3 GLY 7 -1.962 5.412 1.850 57 H ASP 8 H ASP 8 -2.736 4.112 -1.389 58 HA ASP 8 HA ASP 8 -1.728 2.585 -2.711 59 HB2 ASP 8 HB3 ASP 8 -0.337 4.680 -3.071 60 HB3 ASP 8 HB2 ASP 8 0.924 3.883 -2.121 61 H ASN 9 H ASN 9 -2.194 1.534 -0.106 62 HA ASN 9 HA ASN 9 -1.736 -0.209 1.234 63 HB2 ASN 9 HB2 ASN 9 -2.034 -1.254 -0.981 64 HB3 ASN 9 HB3 ASN 9 -0.279 -1.404 -1.114 65 HD21 ASN 9 HD21 ASN 9 -3.174 -2.541 0.643 66 HD22 ASN 9 HD22 ASN 9 -2.443 -4.007 1.256 67 H VAL 10 H VAL 10 -0.251 1.829 1.947 68 HA VAL 10 HA VAL 10 1.389 2.527 3.196 69 HB VAL 10 HB VAL 10 0.743 0.732 4.649 70 HG11 VAL 10 HG11 VAL 10 1.674 -1.275 3.521 71 HG12 VAL 10 HG12 VAL 10 3.307 -0.726 3.970 72 HG13 VAL 10 HG13 VAL 10 2.125 -1.132 5.237 73 HG21 VAL 10 HG21 VAL 10 2.248 2.601 5.298 74 HG22 VAL 10 HG22 VAL 10 2.459 1.127 6.274 75 HG23 VAL 10 HG23 VAL 10 3.642 1.533 5.007 76 H HIS 11 H HIS 11 1.902 3.168 1.001 77 HA HIS 11 HA HIS 11 3.445 3.931 -0.473 78 HB2 HIS 11 HB2 HIS 11 4.614 4.424 1.784 79 HB3 HIS 11 HB3 HIS 11 5.747 3.147 1.307 80 HD2 HIS 11 HD2 HIS 11 7.339 5.506 1.553 81 HE1 HIS 11 HE1 HIS 11 6.601 6.692 -2.367 82 HE2 HIS 11 HE2 HIS 11 8.186 7.098 -0.390 83 H ASN 12 H ASN 12 2.433 1.627 -1.304 84 HA ASN 12 HA ASN 12 2.651 -0.007 -2.822 85 HB2 ASN 12 HB2 ASN 12 4.275 1.637 -3.928 86 HB3 ASN 12 HB3 ASN 12 5.565 0.575 -3.336 87 HD21 ASN 12 HD21 ASN 12 2.566 0.613 -5.328 88 HD22 ASN 12 HD22 ASN 12 3.036 -0.709 -6.373 89 H SER 13 H SER 13 2.492 -0.822 -0.286 90 HA SER 13 HA SER 13 2.896 -2.519 1.180 91 HB2 SER 13 HB2 SER 13 3.244 -4.720 0.418 92 HB3 SER 13 HB3 SER 13 2.356 -3.883 -0.869 93 HG SER 13 HG SER 13 4.383 -5.273 -1.325 94 H SER 14 H SER 14 4.313 -0.818 2.110 95 HA SER 14 HA SER 14 6.262 -0.076 3.070 96 HB2 SER 14 HB2 SER 14 5.851 -2.205 4.283 97 HB3 SER 14 HB3 SER 14 6.935 -3.045 3.153 98 HG SER 14 HG SER 14 8.007 -2.391 5.092 99 H SER 15 H SER 15 6.253 0.222 0.183 100 HA SER 15 HA SER 15 7.729 0.754 -1.547 101 HB2 SER 15 HB3 SER 15 9.164 1.672 0.387 102 HB3 SER 15 HB2 SER 15 10.121 0.184 0.229 103 HG SER 15 HG SER 15 10.962 1.919 -1.048 104 H SER 16 H SER 16 7.811 -2.401 -0.096 105 HA SER 16 HA SER 16 8.277 -3.838 -2.535 106 HB2 SER 16 HB2 SER 16 10.684 -2.973 -1.741 107 HB3 SER 16 HB3 SER 16 10.546 -4.306 -0.574 108 HG SER 16 HG SER 16 11.562 -4.955 -2.547 109 H LEU 17 H LEU 17 8.577 -3.984 1.095 110 HA LEU 17 HA LEU 17 7.955 -6.858 1.149 111 HB2 LEU 17 HB2 LEU 17 8.376 -4.855 3.388 112 HB3 LEU 17 HB3 LEU 17 8.083 -6.577 3.646 113 HG LEU 17 HG LEU 17 10.477 -5.444 2.136 114 HD11 LEU 17 HD21 LEU 17 10.487 -4.753 4.523 115 HD12 LEU 17 HD22 LEU 17 10.385 -6.464 5.002 116 HD13 LEU 17 HD23 LEU 17 11.819 -5.867 4.132 117 HD21 LEU 17 HD11 LEU 17 9.941 -7.796 1.536 118 HD22 LEU 17 HD12 LEU 17 10.066 -8.246 3.254 119 HD23 LEU 17 HD13 LEU 17 11.500 -7.650 2.384 120 HXT LEU 17 HXT LEU 17 4.448 -6.602 1.376 Start of MODEL 9 1 H1 ASN 1 H1 ASN 1 -11.532 2.583 -2.905 2 H2 ASN 1 H2 ASN 1 -11.176 1.193 -3.719 3 H3 ASN 1 H3 ASN 1 -11.993 2.407 -4.479 4 HA ASN 1 HA ASN 1 -9.213 2.490 -3.533 5 HB2 ASN 1 HB2 ASN 1 -9.813 1.094 -5.588 6 HB3 ASN 1 HB3 ASN 1 -10.261 2.605 -6.393 7 HD21 ASN 1 HD21 ASN 1 -7.566 0.619 -5.207 8 HD22 ASN 1 HD22 ASN 1 -6.300 1.528 -6.001 9 H VAL 2 H VAL 2 -10.568 4.395 -2.273 10 HA VAL 2 HA VAL 2 -10.826 6.867 -3.846 11 HB VAL 2 HB VAL 2 -11.142 6.344 -0.868 12 HG11 VAL 2 HG11 VAL 2 -10.536 8.729 -1.283 13 HG12 VAL 2 HG12 VAL 2 -12.168 8.522 -0.603 14 HG13 VAL 2 HG13 VAL 2 -11.965 8.877 -2.335 15 HG21 VAL 2 HG21 VAL 2 -12.917 5.287 -2.267 16 HG22 VAL 2 HG22 VAL 2 -13.334 6.896 -2.901 17 HG23 VAL 2 HG23 VAL 2 -13.538 6.542 -1.169 18 H HIS 3 H HIS 3 -8.894 6.102 -0.915 19 HA HIS 3 HA HIS 3 -6.768 8.031 -1.517 20 HB2 HIS 3 HB2 HIS 3 -7.870 7.230 0.702 21 HB3 HIS 3 HB3 HIS 3 -6.856 5.788 0.549 22 HD2 HIS 3 HD2 HIS 3 -5.924 6.724 3.031 23 HE1 HIS 3 HE1 HIS 3 -3.387 9.572 1.371 24 HE2 HIS 3 HE2 HIS 3 -3.873 8.321 3.553 25 H THR 4 H THR 4 -7.274 5.270 -3.083 26 HA THR 4 HA THR 4 -6.237 3.910 -4.393 27 HB THR 4 HB THR 4 -4.113 4.059 -5.192 28 HG1 THR 4 HG1 THR 4 -2.445 5.192 -4.253 29 HG21 THR 4 HG21 THR 4 -3.752 6.416 -5.767 30 HG22 THR 4 HG22 THR 4 -5.452 5.923 -5.950 31 HG23 THR 4 HG23 THR 4 -4.954 6.893 -4.543 32 H PHE 5 H PHE 5 -7.301 2.762 -2.438 33 HA PHE 5 HA PHE 5 -7.426 0.941 -1.146 34 HB2 PHE 5 HB3 PHE 5 -6.571 -0.153 -3.209 35 HB3 PHE 5 HB2 PHE 5 -4.959 -0.160 -2.478 36 HD1 PHE 5 HD1 PHE 5 -4.281 -2.130 -1.430 37 HD2 PHE 5 HD2 PHE 5 -8.474 -1.234 -1.566 38 HE1 PHE 5 HE1 PHE 5 -4.780 -4.266 -0.293 39 HE2 PHE 5 HE2 PHE 5 -8.963 -3.357 -0.400 40 HZ PHE 5 HZ PHE 5 -7.117 -4.870 0.236 41 H ARG 6 H ARG 6 -6.812 2.871 0.291 42 HA ARG 6 HA ARG 6 -6.161 3.511 2.340 43 HB2 ARG 6 HB3 ARG 6 -5.224 0.667 2.744 44 HB3 ARG 6 HB2 ARG 6 -5.413 1.887 4.014 45 HG2 ARG 6 HG2 ARG 6 -7.581 1.402 4.227 46 HG3 ARG 6 HG3 ARG 6 -7.870 1.766 2.522 47 HD2 ARG 6 HD3 ARG 6 -8.702 -0.436 2.898 48 HD3 ARG 6 HD2 ARG 6 -7.184 -0.623 2.002 49 HE ARG 6 HE ARG 6 -7.568 -1.222 4.907 50 HH11 ARG 6 HH11 ARG 6 -6.256 -2.767 5.768 51 HH12 ARG 6 HH12 ARG 6 -4.965 -3.490 4.834 52 HH21 ARG 6 HH21 ARG 6 -5.577 -1.667 1.942 53 HH22 ARG 6 HH22 ARG 6 -4.588 -2.883 2.718 54 H GLY 7 H GLY 7 -4.879 4.686 0.859 55 HA2 GLY 7 HA2 GLY 7 -3.035 6.027 0.549 56 HA3 GLY 7 HA3 GLY 7 -2.365 5.362 2.046 57 H ASP 8 H ASP 8 -3.014 4.035 -1.265 58 HA ASP 8 HA ASP 8 -1.720 2.811 -2.693 59 HB2 ASP 8 HB2 ASP 8 -0.588 5.025 -2.770 60 HB3 ASP 8 HB3 ASP 8 0.627 4.411 -1.644 61 H ASN 9 H ASN 9 -2.323 1.440 -0.254 62 HA ASN 9 HA ASN 9 -1.757 -0.321 1.048 63 HB2 ASN 9 HB3 ASN 9 -1.963 -1.241 -1.233 64 HB3 ASN 9 HB2 ASN 9 -0.202 -1.222 -1.367 65 HD21 ASN 9 HD21 ASN 9 -2.909 -2.675 0.497 66 HD22 ASN 9 HD22 ASN 9 -2.052 -4.145 0.904 67 H VAL 10 H VAL 10 -0.317 1.827 1.840 68 HA VAL 10 HA VAL 10 1.357 2.542 3.058 69 HB VAL 10 HB VAL 10 0.653 0.816 4.553 70 HG11 VAL 10 HG21 VAL 10 1.462 -1.252 3.446 71 HG12 VAL 10 HG22 VAL 10 3.126 -0.792 3.882 72 HG13 VAL 10 HG23 VAL 10 1.929 -1.115 5.159 73 HG21 VAL 10 HG11 VAL 10 2.255 2.611 5.168 74 HG22 VAL 10 HG12 VAL 10 2.392 1.143 6.165 75 HG23 VAL 10 HG13 VAL 10 3.590 1.466 4.889 76 H HIS 11 H HIS 11 1.879 3.030 0.761 77 HA HIS 11 HA HIS 11 3.444 3.671 -0.748 78 HB2 HIS 11 HB2 HIS 11 4.590 4.329 1.477 79 HB3 HIS 11 HB3 HIS 11 5.717 3.010 1.116 80 HD2 HIS 11 HD2 HIS 11 7.329 5.365 1.198 81 HE1 HIS 11 HE1 HIS 11 6.652 6.247 -2.811 82 HE2 HIS 11 HE2 HIS 11 8.217 6.792 -0.854 83 H ASN 12 H ASN 12 2.420 1.278 -1.383 84 HA ASN 12 HA ASN 12 2.658 -0.499 -2.737 85 HB2 ASN 12 HB2 ASN 12 5.513 0.340 -3.287 86 HB3 ASN 12 HB3 ASN 12 4.641 -0.941 -4.135 87 HD21 ASN 12 HD21 ASN 12 2.749 -0.278 -5.503 88 HD22 ASN 12 HD22 ASN 12 2.746 1.327 -6.199 89 H SER 13 H SER 13 2.550 -1.052 -0.130 90 HA SER 13 HA SER 13 2.979 -2.577 1.498 91 HB2 SER 13 HB2 SER 13 3.339 -4.847 0.972 92 HB3 SER 13 HB3 SER 13 2.426 -4.158 -0.384 93 HG SER 13 HG SER 13 4.460 -5.572 -0.718 94 H SER 14 H SER 14 4.386 -0.805 2.259 95 HA SER 14 HA SER 14 6.336 0.042 3.124 96 HB2 SER 14 HB3 SER 14 5.966 -1.983 4.523 97 HB3 SER 14 HB2 SER 14 7.053 -2.897 3.457 98 HG SER 14 HG SER 14 8.135 -2.063 5.323 99 H SER 15 H SER 15 6.293 0.080 0.223 100 HA SER 15 HA SER 15 7.747 0.478 -1.561 101 HB2 SER 15 HB3 SER 15 9.190 1.575 0.274 102 HB3 SER 15 HB2 SER 15 10.163 0.089 0.231 103 HG SER 15 HG SER 15 10.970 1.721 -1.198 104 H SER 16 H SER 16 7.877 -2.538 0.156 105 HA SER 16 HA SER 16 8.353 -4.169 -2.158 106 HB2 SER 16 HB2 SER 16 10.748 -3.215 -1.442 107 HB3 SER 16 HB3 SER 16 10.628 -4.449 -0.170 108 HG SER 16 HG SER 16 11.648 -5.244 -2.087 109 H LEU 17 H LEU 17 8.650 -4.018 1.471 110 HA LEU 17 HA LEU 17 8.104 -6.873 1.751 111 HB2 LEU 17 HB2 LEU 17 8.467 -4.709 3.827 112 HB3 LEU 17 HB3 LEU 17 8.207 -6.410 4.218 113 HG LEU 17 HG LEU 17 10.570 -5.351 2.612 114 HD11 LEU 17 HD21 LEU 17 10.579 -4.491 4.943 115 HD12 LEU 17 HD22 LEU 17 11.929 -5.607 4.625 116 HD13 LEU 17 HD23 LEU 17 10.511 -6.164 5.545 117 HD21 LEU 17 HD11 LEU 17 10.074 -7.751 2.186 118 HD22 LEU 17 HD12 LEU 17 11.633 -7.515 3.012 119 HD23 LEU 17 HD13 LEU 17 10.215 -8.073 3.931 120 HXT LEU 17 HXT LEU 17 4.690 -5.401 3.317
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