NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
9607 | 1odr | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H TYR 1 3H TYR 1 13.789 -4.224 6.073 2 2H TYR 1 1H TYR 1 14.721 -4.689 4.752 3 3H TYR 1 2H TYR 1 15.247 -3.447 5.757 4 HA TYR 1 HA TYR 1 13.822 -1.916 4.952 5 1HB TYR 1 1HB TYR 1 14.074 -3.890 2.564 6 2HB TYR 1 2HB TYR 1 13.734 -2.185 2.428 7 HD1 TYR 1 HD2 TYR 1 16.064 -1.861 4.890 8 HD2 TYR 1 HD1 TYR 1 15.849 -3.276 0.836 9 HE1 TYR 1 HE2 TYR 1 18.457 -1.349 4.573 10 HE2 TYR 1 HE1 TYR 1 18.231 -2.758 0.531 11 HH TYR 1 HH TYR 1 19.942 -0.785 2.500 12 H SER 2 H SER 2 11.956 -2.090 6.027 13 HA SER 2 HA SER 2 9.594 -2.708 4.444 14 1HB SER 2 1HB SER 2 8.711 -4.712 5.668 15 2HB SER 2 2HB SER 2 10.186 -5.116 4.802 16 HG SER 2 HG SER 2 9.739 -4.791 7.570 17 H ASP 3 H ASP 3 10.305 -0.550 5.709 18 HA ASP 3 HA ASP 3 8.122 -0.316 7.733 19 1HB ASP 3 1HB ASP 3 11.015 -0.434 8.495 20 2HB ASP 3 2HB ASP 3 10.339 1.116 8.941 21 H GLU 4 H GLU 4 8.718 0.621 5.090 22 HA GLU 4 HA GLU 4 8.158 3.520 5.489 23 1HB GLU 4 1HB GLU 4 10.288 3.776 3.688 24 2HB GLU 4 2HB GLU 4 10.343 4.206 5.380 25 1HG GLU 4 1HG GLU 4 11.048 1.526 5.605 26 2HG GLU 4 2HG GLU 4 11.587 1.797 3.966 27 H LEU 5 H LEU 5 9.386 1.177 3.143 28 HA LEU 5 HA LEU 5 7.684 2.393 1.003 29 1HB LEU 5 1HB LEU 5 9.574 -0.051 1.053 30 2HB LEU 5 2HB LEU 5 8.627 0.365 -0.363 31 HG LEU 5 HG LEU 5 10.329 2.605 0.712 32 1HD1 LEU 5 2HD1 LEU 5 11.828 0.632 1.127 33 2HD1 LEU 5 3HD1 LEU 5 11.632 0.099 -0.561 34 3HD1 LEU 5 1HD1 LEU 5 12.453 1.636 -0.195 35 1HD2 LEU 5 2HD2 LEU 5 9.895 1.431 -2.126 36 2HD2 LEU 5 3HD2 LEU 5 9.148 2.901 -1.453 37 3HD2 LEU 5 1HD2 LEU 5 10.888 2.867 -1.755 38 H ARG 6 H ARG 6 7.563 -0.323 3.139 39 HA ARG 6 HA ARG 6 5.436 -1.792 1.874 40 1HB ARG 6 1HB ARG 6 6.853 -2.293 4.070 41 2HB ARG 6 2HB ARG 6 5.649 -1.341 4.917 42 1HG ARG 6 2HG ARG 6 3.900 -3.051 3.708 43 2HG ARG 6 1HG ARG 6 5.318 -4.078 3.526 44 1HD ARG 6 1HD ARG 6 4.470 -4.810 5.597 45 2HD ARG 6 2HD ARG 6 5.726 -3.656 6.116 46 HE ARG 6 HE ARG 6 3.712 -1.906 6.039 47 1HH1 ARG 6 2HH2 ARG 6 3.394 -5.216 7.035 48 2HH1 ARG 6 1HH2 ARG 6 1.960 -4.831 8.133 49 1HH2 ARG 6 1HH1 ARG 6 2.160 -1.566 7.247 50 2HH2 ARG 6 2HH1 ARG 6 1.285 -2.849 8.252 51 H GLN 7 H GLN 7 5.342 1.035 3.945 52 HA GLN 7 HA GLN 7 2.441 1.246 4.076 53 1HB GLN 7 1HB GLN 7 4.617 3.437 4.136 54 2HB GLN 7 2HB GLN 7 2.930 3.712 4.562 55 1HG GLN 7 2HG GLN 7 3.810 1.480 6.218 56 2HG GLN 7 1HG GLN 7 5.131 2.622 6.239 57 1HE2 GLN 7 2HE2 GLN 7 2.750 5.086 7.851 58 2HE2 GLN 7 1HE2 GLN 7 3.408 5.005 6.123 59 H ARG 8 H ARG 8 4.798 2.313 1.737 60 HA ARG 8 HA ARG 8 3.035 4.032 0.174 61 1HB ARG 8 1HB ARG 8 5.114 4.359 -0.770 62 2HB ARG 8 2HB ARG 8 5.744 2.907 -0.017 63 1HG ARG 8 1HG ARG 8 6.040 2.670 -2.457 64 2HG ARG 8 2HG ARG 8 4.779 1.534 -1.987 65 1HD ARG 8 1HD ARG 8 3.819 2.557 -3.891 66 2HD ARG 8 2HD ARG 8 3.106 3.550 -2.593 67 HE ARG 8 HE ARG 8 4.973 5.227 -2.967 68 1HH1 ARG 8 2HH2 ARG 8 4.362 2.957 -5.521 69 2HH1 ARG 8 1HH2 ARG 8 5.110 4.065 -6.793 70 1HH2 ARG 8 1HH1 ARG 8 5.766 6.371 -4.397 71 2HH2 ARG 8 2HH1 ARG 8 5.874 5.923 -6.189 72 H LEU 9 H LEU 9 3.713 0.597 0.098 73 HA LEU 9 HA LEU 9 2.131 0.050 -2.326 74 1HB LEU 9 1HB LEU 9 3.259 -1.915 -2.039 75 2HB LEU 9 2HB LEU 9 3.746 -1.451 -0.420 76 HG LEU 9 HG LEU 9 1.204 -2.353 0.162 77 1HD1 LEU 9 3HD2 LEU 9 0.828 -3.023 -2.302 78 2HD1 LEU 9 1HD2 LEU 9 2.132 -4.204 -2.141 79 3HD1 LEU 9 2HD2 LEU 9 0.656 -4.370 -1.150 80 1HD2 LEU 9 2HD1 LEU 9 3.423 -3.033 1.198 81 2HD2 LEU 9 3HD1 LEU 9 2.338 -4.423 0.950 82 3HD2 LEU 9 1HD1 LEU 9 3.702 -4.141 -0.158 83 H ALA 10 H ALA 10 1.439 -0.040 1.108 84 HA ALA 10 HA ALA 10 -1.293 -0.944 0.920 85 1HB ALA 10 2HB ALA 10 -0.018 -0.689 3.089 86 2HB ALA 10 3HB ALA 10 -0.040 1.083 2.920 87 3HB ALA 10 1HB ALA 10 -1.557 0.189 3.183 88 H ALA 11 H ALA 11 0.115 2.181 0.331 89 HA ALA 11 HA ALA 11 -2.416 3.657 0.388 90 1HB ALA 11 2HB ALA 11 -0.150 4.749 0.653 91 2HB ALA 11 3HB ALA 11 0.275 4.326 -1.022 92 3HB ALA 11 1HB ALA 11 -1.028 5.494 -0.696 93 H ARG 12 H ARG 12 -0.547 2.191 -2.199 94 HA ARG 12 HA ARG 12 -2.328 3.001 -4.371 95 1HB ARG 12 2HB ARG 12 0.030 2.046 -4.637 96 2HB ARG 12 1HB ARG 12 -0.547 0.477 -4.108 97 1HG ARG 12 2HG ARG 12 -1.714 0.011 -6.120 98 2HG ARG 12 1HG ARG 12 -1.981 1.706 -6.520 99 1HD ARG 12 1HD ARG 12 -0.282 1.374 -8.032 100 2HD ARG 12 2HD ARG 12 0.778 1.680 -6.631 101 HE ARG 12 HE ARG 12 0.250 -0.938 -7.941 102 1HH1 ARG 12 2HH2 ARG 12 1.343 0.536 -4.994 103 2HH1 ARG 12 1HH2 ARG 12 2.264 -0.981 -4.484 104 1HH2 ARG 12 1HH1 ARG 12 1.268 -2.540 -7.323 105 2HH2 ARG 12 2HH1 ARG 12 2.227 -2.656 -5.746 106 H LEU 13 H LEU 13 -2.315 0.326 -2.128 107 HA LEU 13 HA LEU 13 -4.461 -1.136 -3.518 108 1HB LEU 13 1HB LEU 13 -3.047 -1.368 -0.818 109 2HB LEU 13 2HB LEU 13 -4.581 -2.197 -0.996 110 HG LEU 13 HG LEU 13 -2.386 -2.674 -3.064 111 1HD1 LEU 13 3HD2 LEU 13 -1.364 -2.998 -0.719 112 2HD1 LEU 13 1HD2 LEU 13 -2.576 -4.244 -0.402 113 3HD1 LEU 13 2HD2 LEU 13 -1.383 -4.478 -1.709 114 1HD2 LEU 13 2HD1 LEU 13 -4.736 -3.583 -3.415 115 2HD2 LEU 13 3HD1 LEU 13 -3.523 -4.881 -3.289 116 3HD2 LEU 13 1HD1 LEU 13 -4.588 -4.512 -1.912 117 H GLU 14 H GLU 14 -4.418 1.406 -1.209 118 HA GLU 14 HA GLU 14 -6.969 0.970 0.046 119 1HB GLU 14 1HB GLU 14 -5.019 3.168 -0.267 120 2HB GLU 14 2HB GLU 14 -6.632 3.826 -0.399 121 1HG GLU 14 2HG GLU 14 -5.448 2.297 2.026 122 2HG GLU 14 1HG GLU 14 -5.847 3.995 1.950 123 H ALA 15 H ALA 15 -6.184 2.670 -2.931 124 HA ALA 15 HA ALA 15 -8.932 3.654 -3.353 125 1HB ALA 15 2HB ALA 15 -6.893 4.755 -4.366 126 2HB ALA 15 3HB ALA 15 -6.565 3.303 -5.342 127 3HB ALA 15 1HB ALA 15 -8.023 4.278 -5.647 128 H LEU 16 H LEU 16 -7.115 0.868 -4.437 129 HA LEU 16 HA LEU 16 -9.222 -0.040 -6.307 130 1HB LEU 16 1HB LEU 16 -6.689 -1.292 -5.132 131 2HB LEU 16 2HB LEU 16 -7.820 -2.314 -6.004 132 HG LEU 16 HG LEU 16 -6.470 0.181 -7.204 133 1HD1 LEU 16 3HD2 LEU 16 -4.827 -1.724 -6.644 134 2HD1 LEU 16 1HD2 LEU 16 -5.728 -2.776 -7.741 135 3HD1 LEU 16 2HD2 LEU 16 -4.906 -1.325 -8.378 136 1HD2 LEU 16 2HD1 LEU 16 -8.682 -0.500 -8.262 137 2HD2 LEU 16 3HD1 LEU 16 -7.314 -0.676 -9.387 138 3HD2 LEU 16 1HD1 LEU 16 -8.013 -2.108 -8.595 139 H LYS 17 H LYS 17 -8.737 -0.318 -2.937 140 HA LYS 17 HA LYS 17 -10.434 -2.779 -2.763 141 1HB LYS 17 1HB LYS 17 -8.336 -2.309 -1.304 142 2HB LYS 17 2HB LYS 17 -9.233 -1.030 -0.498 143 1HG LYS 17 2HG LYS 17 -9.116 -3.572 0.489 144 2HG LYS 17 1HG LYS 17 -10.519 -2.542 0.768 145 1HD LYS 17 1HD LYS 17 -11.323 -3.658 -1.594 146 2HD LYS 17 2HD LYS 17 -10.327 -4.979 -0.954 147 1HE LYS 17 1HE LYS 17 -11.668 -4.174 1.380 148 2HE LYS 17 2HE LYS 17 -12.913 -3.847 0.166 149 1HZ LYS 17 1HZ LYS 17 -11.422 -6.393 0.059 150 2HZ LYS 17 2HZ LYS 17 -12.697 -6.200 1.139 151 3HZ LYS 17 3HZ LYS 17 -12.962 -6.032 -0.513 152 H GLU 18 H GLU 18 -11.455 -0.049 -3.605 153 HA GLU 18 HA GLU 18 -13.734 0.025 -1.587 154 1HB GLU 18 2HB GLU 18 -11.962 2.012 -1.771 155 2HB GLU 18 1HB GLU 18 -12.768 2.413 -3.267 156 1HG GLU 18 2HG GLU 18 -15.009 2.600 -1.865 157 2HG GLU 18 1HG GLU 18 -14.015 2.485 -0.436 158 H ASN 19 H ASN 19 -13.952 -1.717 -3.515 159 HA ASN 19 HA ASN 19 -16.309 -0.599 -4.986 160 1HB ASN 19 1HB ASN 19 -15.522 -1.346 -7.252 161 2HB ASN 19 2HB ASN 19 -14.458 -0.110 -6.621 162 1HD2 ASN 19 1HD2 ASN 19 -11.661 -2.244 -6.973 163 2HD2 ASN 19 2HD2 ASN 19 -12.314 -0.541 -6.681 164 H GLY 20 H GLY 20 -14.131 -3.328 -4.553 165 1HA GLY 20 1HA GLY 20 -15.144 -5.409 -3.448 166 2HA GLY 20 2HA GLY 20 -16.617 -5.122 -4.397 No H/Q in entry = 166 Start of MODEL 2 1 1H TYR 1 2H TYR 1 12.603 0.230 4.160 2 2H TYR 1 3H TYR 1 13.270 0.198 2.616 3 3H TYR 1 1H TYR 1 11.646 0.583 2.823 4 HA TYR 1 HA TYR 1 11.352 -1.526 2.217 5 1HB TYR 1 2HB TYR 1 13.042 -3.334 2.646 6 2HB TYR 1 1HB TYR 1 13.779 -2.005 1.799 7 HD1 TYR 1 HD2 TYR 1 14.002 -0.238 4.523 8 HD2 TYR 1 HD1 TYR 1 15.073 -4.269 3.481 9 HE1 TYR 1 HE2 TYR 1 15.720 -0.251 6.295 10 HE2 TYR 1 HE1 TYR 1 16.780 -4.270 5.248 11 HH TYR 1 HH TYR 1 18.141 -2.548 6.483 12 H SER 2 H SER 2 9.985 -2.738 3.156 13 HA SER 2 HA SER 2 8.674 -3.682 4.897 14 1HB SER 2 2HB SER 2 11.554 -4.210 5.819 15 2HB SER 2 1HB SER 2 10.229 -4.593 6.906 16 HG SER 2 HG SER 2 9.388 -5.616 4.715 17 H ASP 3 H ASP 3 8.960 -0.924 4.871 18 HA ASP 3 HA ASP 3 7.761 -0.365 7.434 19 1HB ASP 3 1HB ASP 3 10.428 -0.531 7.946 20 2HB ASP 3 2HB ASP 3 10.484 1.060 7.221 21 H GLU 4 H GLU 4 9.689 1.066 4.872 22 HA GLU 4 HA GLU 4 7.687 3.345 4.733 23 1HB GLU 4 1HB GLU 4 10.053 3.190 2.847 24 2HB GLU 4 2HB GLU 4 9.334 4.592 3.600 25 1HG GLU 4 1HG GLU 4 10.441 3.861 5.848 26 2HG GLU 4 2HG GLU 4 11.258 2.583 4.984 27 H LEU 5 H LEU 5 9.184 0.825 2.784 28 HA LEU 5 HA LEU 5 7.622 1.500 0.380 29 1HB LEU 5 1HB LEU 5 9.259 -0.987 1.192 30 2HB LEU 5 2HB LEU 5 8.390 -0.925 -0.329 31 HG LEU 5 HG LEU 5 10.343 1.329 0.265 32 1HD1 LEU 5 3HD2 LEU 5 11.562 -0.866 0.854 33 2HD1 LEU 5 1HD2 LEU 5 11.294 -1.418 -0.803 34 3HD1 LEU 5 2HD2 LEU 5 12.298 0.028 -0.500 35 1HD2 LEU 5 2HD1 LEU 5 8.894 1.299 -1.826 36 2HD2 LEU 5 3HD1 LEU 5 10.633 1.270 -2.210 37 3HD2 LEU 5 1HD1 LEU 5 9.665 -0.219 -2.323 38 H ARG 6 H ARG 6 7.121 -0.609 3.081 39 HA ARG 6 HA ARG 6 4.900 -2.109 1.947 40 1HB ARG 6 2HB ARG 6 6.288 -2.421 4.211 41 2HB ARG 6 1HB ARG 6 5.124 -1.314 4.918 42 1HG ARG 6 1HG ARG 6 3.208 -2.858 4.400 43 2HG ARG 6 2HG ARG 6 4.281 -3.942 3.519 44 1HD ARG 6 1HD ARG 6 4.577 -5.063 5.498 45 2HD ARG 6 2HD ARG 6 5.545 -3.678 6.065 46 HE ARG 6 HE ARG 6 3.590 -2.742 7.171 47 1HH1 ARG 6 2HH2 ARG 6 2.857 -5.783 5.667 48 2HH1 ARG 6 1HH2 ARG 6 1.300 -5.979 6.638 49 1HH2 ARG 6 1HH1 ARG 6 1.895 -3.023 8.186 50 2HH2 ARG 6 2HH1 ARG 6 0.771 -4.482 8.009 51 H GLN 7 H GLN 7 5.068 0.941 3.666 52 HA GLN 7 HA GLN 7 2.189 1.339 3.868 53 1HB GLN 7 1HB GLN 7 4.519 3.363 3.725 54 2HB GLN 7 2HB GLN 7 2.862 3.815 4.121 55 1HG GLN 7 2HG GLN 7 3.534 1.679 5.973 56 2HG GLN 7 1HG GLN 7 4.973 2.666 5.887 57 1HE2 GLN 7 2HE2 GLN 7 1.854 4.788 7.397 58 2HE2 GLN 7 1HE2 GLN 7 1.642 3.886 5.797 59 H ARG 8 H ARG 8 4.553 2.305 1.453 60 HA ARG 8 HA ARG 8 2.669 3.833 -0.182 61 1HB ARG 8 1HB ARG 8 5.425 2.560 -0.609 62 2HB ARG 8 2HB ARG 8 4.539 3.061 -2.037 63 1HG ARG 8 1HG ARG 8 4.329 5.365 -0.364 64 2HG ARG 8 2HG ARG 8 5.909 4.725 0.077 65 1HD ARG 8 1HD ARG 8 4.977 5.335 -2.812 66 2HD ARG 8 2HD ARG 8 6.019 6.386 -1.818 67 HE ARG 8 HE ARG 8 6.815 3.905 -3.213 68 1HH1 ARG 8 2HH2 ARG 8 7.606 5.879 -0.469 69 2HH1 ARG 8 1HH2 ARG 8 9.339 5.247 -0.414 70 1HH2 ARG 8 1HH1 ARG 8 8.703 3.268 -3.090 71 2HH2 ARG 8 2HH1 ARG 8 9.942 3.828 -1.836 72 H LEU 9 H LEU 9 3.480 0.462 0.041 73 HA LEU 9 HA LEU 9 2.155 -0.339 -2.455 74 1HB LEU 9 1HB LEU 9 3.307 -2.221 -1.839 75 2HB LEU 9 2HB LEU 9 3.491 -1.654 -0.191 76 HG LEU 9 HG LEU 9 1.043 -2.542 0.204 77 1HD1 LEU 9 2HD1 LEU 9 0.459 -2.857 -2.219 78 2HD1 LEU 9 3HD1 LEU 9 1.742 -4.080 -2.392 79 3HD1 LEU 9 1HD1 LEU 9 0.343 -4.390 -1.336 80 1HD2 LEU 9 2HD2 LEU 9 3.383 -4.513 -0.305 81 2HD2 LEU 9 3HD2 LEU 9 3.001 -3.680 1.222 82 3HD2 LEU 9 1HD2 LEU 9 1.893 -4.906 0.597 83 H ALA 10 H ALA 10 1.085 -0.120 0.878 84 HA ALA 10 HA ALA 10 -1.615 -1.084 0.411 85 1HB ALA 10 2HB ALA 10 -0.603 -0.761 2.706 86 2HB ALA 10 3HB ALA 10 -0.587 1.004 2.476 87 3HB ALA 10 1HB ALA 10 -2.133 0.129 2.588 88 H ALA 11 H ALA 11 -0.115 2.005 -0.124 89 HA ALA 11 HA ALA 11 -2.620 3.507 -0.400 90 1HB ALA 11 2HB ALA 11 -0.386 4.589 0.085 91 2HB ALA 11 3HB ALA 11 0.224 4.101 -1.514 92 3HB ALA 11 1HB ALA 11 -1.094 5.291 -1.383 93 H ARG 12 H ARG 12 -0.630 1.687 -2.602 94 HA ARG 12 HA ARG 12 -2.072 2.541 -5.025 95 1HB ARG 12 1HB ARG 12 -0.035 0.420 -4.267 96 2HB ARG 12 2HB ARG 12 -1.038 0.005 -5.644 97 1HG ARG 12 2HG ARG 12 0.500 1.191 -6.905 98 2HG ARG 12 1HG ARG 12 -0.245 2.662 -6.289 99 1HD ARG 12 1HD ARG 12 1.790 3.201 -5.418 100 2HD ARG 12 2HD ARG 12 1.490 1.963 -4.171 101 HE ARG 12 HE ARG 12 3.110 0.604 -5.197 102 1HH1 ARG 12 2HH2 ARG 12 1.930 2.778 -7.633 103 2HH1 ARG 12 1HH2 ARG 12 3.124 2.144 -8.890 104 1HH2 ARG 12 1HH1 ARG 12 4.374 -0.027 -6.607 105 2HH2 ARG 12 2HH1 ARG 12 4.455 0.619 -8.339 106 H LEU 13 H LEU 13 -2.262 -0.293 -2.939 107 HA LEU 13 HA LEU 13 -4.642 -1.317 -4.379 108 1HB LEU 13 1HB LEU 13 -3.074 -2.138 -1.875 109 2HB LEU 13 2HB LEU 13 -4.678 -2.807 -2.102 110 HG LEU 13 HG LEU 13 -2.619 -3.056 -4.347 111 1HD1 LEU 13 3HD2 LEU 13 -1.547 -3.898 -2.159 112 2HD1 LEU 13 1HD2 LEU 13 -2.852 -5.080 -2.016 113 3HD1 LEU 13 2HD2 LEU 13 -1.732 -5.158 -3.404 114 1HD2 LEU 13 2HD1 LEU 13 -5.053 -3.690 -4.737 115 2HD2 LEU 13 3HD1 LEU 13 -3.955 -5.081 -4.918 116 3HD2 LEU 13 1HD1 LEU 13 -4.933 -4.895 -3.442 117 H GLU 14 H GLU 14 -4.340 1.193 -2.282 118 HA GLU 14 HA GLU 14 -6.793 0.877 -0.742 119 1HB GLU 14 1HB GLU 14 -4.746 2.838 -1.068 120 2HB GLU 14 2HB GLU 14 -6.169 3.666 -1.652 121 1HG GLU 14 2HG GLU 14 -5.356 3.086 1.149 122 2HG GLU 14 1HG GLU 14 -6.492 4.271 0.555 123 H ALA 15 H ALA 15 -6.170 2.523 -3.803 124 HA ALA 15 HA ALA 15 -9.093 2.911 -4.237 125 1HB ALA 15 2HB ALA 15 -7.370 4.623 -4.958 126 2HB ALA 15 3HB ALA 15 -6.645 3.452 -6.084 127 3HB ALA 15 1HB ALA 15 -8.294 4.060 -6.363 128 H LEU 16 H LEU 16 -7.434 0.197 -4.349 129 HA LEU 16 HA LEU 16 -8.692 -0.726 -6.948 130 1HB LEU 16 2HB LEU 16 -6.320 -1.697 -5.268 131 2HB LEU 16 1HB LEU 16 -7.140 -2.860 -6.291 132 HG LEU 16 HG LEU 16 -6.332 -0.331 -7.703 133 1HD1 LEU 16 3HD2 LEU 16 -4.355 -0.758 -6.104 134 2HD1 LEU 16 1HD2 LEU 16 -4.134 -2.341 -6.856 135 3HD1 LEU 16 2HD2 LEU 16 -3.923 -0.859 -7.829 136 1HD2 LEU 16 2HD1 LEU 16 -7.334 -2.373 -8.843 137 2HD2 LEU 16 3HD1 LEU 16 -5.729 -1.958 -9.493 138 3HD2 LEU 16 1HD1 LEU 16 -5.914 -3.322 -8.363 139 H LYS 17 H LYS 17 -8.421 -1.443 -3.539 140 HA LYS 17 HA LYS 17 -10.471 -3.608 -3.853 141 1HB LYS 17 2HB LYS 17 -9.245 -4.388 -1.844 142 2HB LYS 17 1HB LYS 17 -8.340 -2.889 -1.910 143 1HG LYS 17 1HG LYS 17 -10.390 -1.756 -0.657 144 2HG LYS 17 2HG LYS 17 -10.969 -3.403 -0.387 145 1HD LYS 17 1HD LYS 17 -8.280 -3.561 0.420 146 2HD LYS 17 2HD LYS 17 -8.668 -1.875 0.813 147 1HE LYS 17 1HE LYS 17 -10.343 -2.445 2.395 148 2HE LYS 17 2HE LYS 17 -10.782 -3.953 1.576 149 1HZ LYS 17 2HZ LYS 17 -8.415 -4.694 2.209 150 2HZ LYS 17 3HZ LYS 17 -8.458 -3.431 3.319 151 3HZ LYS 17 1HZ LYS 17 -9.601 -4.662 3.401 152 H GLU 18 H GLU 18 -10.388 -0.289 -3.060 153 HA GLU 18 HA GLU 18 -12.679 -0.079 -1.340 154 1HB GLU 18 1HB GLU 18 -11.153 1.821 -1.906 155 2HB GLU 18 2HB GLU 18 -11.671 1.793 -3.574 156 1HG GLU 18 1HG GLU 18 -12.874 3.657 -2.709 157 2HG GLU 18 2HG GLU 18 -14.097 2.413 -2.655 158 H ASN 19 H ASN 19 -14.400 -1.174 -1.634 159 HA ASN 19 HA ASN 19 -16.415 -0.443 -3.517 160 1HB ASN 19 2HB ASN 19 -14.335 -1.998 -4.830 161 2HB ASN 19 1HB ASN 19 -15.668 -3.108 -4.616 162 1HD2 ASN 19 1HD2 ASN 19 -16.591 -1.789 -7.795 163 2HD2 ASN 19 2HD2 ASN 19 -15.725 -3.172 -6.930 164 H GLY 20 H GLY 20 -15.126 -3.602 -2.568 165 1HA GLY 20 2HA GLY 20 -17.220 -3.847 -0.430 166 2HA GLY 20 1HA GLY 20 -17.483 -4.949 -1.798 No H/Q in entry = 166 Start of MODEL 3 1 1H TYR 1 3H TYR 1 13.219 -4.763 3.110 2 2H TYR 1 1H TYR 1 13.600 -3.665 1.894 3 3H TYR 1 2H TYR 1 14.713 -3.993 3.110 4 HA TYR 1 HA TYR 1 13.651 -2.787 4.683 5 1HB TYR 1 2HB TYR 1 13.011 -1.505 1.928 6 2HB TYR 1 1HB TYR 1 12.621 -0.694 3.417 7 HD1 TYR 1 HD1 TYR 1 15.296 -1.693 4.881 8 HD2 TYR 1 HD2 TYR 1 14.519 0.187 1.094 9 HE1 TYR 1 HE1 TYR 1 17.556 -0.730 4.893 10 HE2 TYR 1 HE2 TYR 1 16.790 1.154 1.120 11 HH TYR 1 HH TYR 1 18.909 0.808 2.114 12 H SER 2 H SER 2 11.950 -2.446 5.836 13 HA SER 2 HA SER 2 9.218 -2.726 4.607 14 1HB SER 2 2HB SER 2 10.406 -4.777 6.545 15 2HB SER 2 1HB SER 2 8.712 -4.353 6.728 16 HG SER 2 HG SER 2 9.812 -5.102 4.211 17 H ASP 3 H ASP 3 9.261 -0.559 5.049 18 HA ASP 3 HA ASP 3 7.891 0.125 7.495 19 1HB ASP 3 1HB ASP 3 10.672 -0.162 8.010 20 2HB ASP 3 2HB ASP 3 10.551 1.551 7.676 21 H GLU 4 H GLU 4 10.071 1.256 5.009 22 HA GLU 4 HA GLU 4 8.389 3.746 4.689 23 1HB GLU 4 2HB GLU 4 10.725 2.916 2.879 24 2HB GLU 4 1HB GLU 4 10.145 4.529 3.213 25 1HG GLU 4 1HG GLU 4 10.993 4.056 5.732 26 2HG GLU 4 2HG GLU 4 11.920 2.766 5.009 27 H LEU 5 H LEU 5 9.050 0.677 3.194 28 HA LEU 5 HA LEU 5 7.352 1.483 0.818 29 1HB LEU 5 1HB LEU 5 9.156 -0.987 1.284 30 2HB LEU 5 2HB LEU 5 8.202 -0.738 -0.165 31 HG LEU 5 HG LEU 5 10.123 1.488 0.537 32 1HD1 LEU 5 2HD1 LEU 5 11.461 -0.558 1.121 33 2HD1 LEU 5 3HD1 LEU 5 11.120 -1.265 -0.478 34 3HD1 LEU 5 1HD1 LEU 5 12.096 0.218 -0.342 35 1HD2 LEU 5 2HD2 LEU 5 9.423 0.034 -2.113 36 2HD2 LEU 5 3HD2 LEU 5 8.851 1.638 -1.591 37 3HD2 LEU 5 1HD2 LEU 5 10.561 1.402 -1.967 38 H ARG 6 H ARG 6 7.285 -0.478 3.631 39 HA ARG 6 HA ARG 6 5.037 -2.158 2.833 40 1HB ARG 6 2HB ARG 6 6.630 -2.258 4.969 41 2HB ARG 6 1HB ARG 6 5.515 -1.112 5.694 42 1HG ARG 6 2HG ARG 6 3.697 -2.659 5.806 43 2HG ARG 6 1HG ARG 6 4.323 -3.690 4.523 44 1HD ARG 6 1HD ARG 6 6.029 -3.429 7.032 45 2HD ARG 6 2HD ARG 6 4.531 -4.390 7.125 46 HE ARG 6 HE ARG 6 6.987 -5.059 5.609 47 1HH1 ARG 6 2HH2 ARG 6 3.561 -5.611 5.692 48 2HH1 ARG 6 1HH2 ARG 6 3.714 -7.198 4.762 49 1HH2 ARG 6 1HH1 ARG 6 7.074 -6.782 4.605 50 2HH2 ARG 6 2HH1 ARG 6 5.621 -7.840 4.169 51 H GLN 7 H GLN 7 5.222 0.998 4.369 52 HA GLN 7 HA GLN 7 2.329 1.395 4.511 53 1HB GLN 7 1HB GLN 7 4.717 3.342 4.382 54 2HB GLN 7 2HB GLN 7 3.058 3.914 4.545 55 1HG GLN 7 2HG GLN 7 2.943 2.386 6.733 56 2HG GLN 7 1HG GLN 7 4.679 2.247 6.597 57 1HE2 GLN 7 2HE2 GLN 7 3.248 5.601 8.274 58 2HE2 GLN 7 1HE2 GLN 7 2.108 4.408 7.439 59 H ARG 8 H ARG 8 4.737 2.012 2.054 60 HA ARG 8 HA ARG 8 2.904 3.465 0.257 61 1HB ARG 8 1HB ARG 8 5.620 2.044 -0.085 62 2HB ARG 8 2HB ARG 8 4.766 2.634 -1.498 63 1HG ARG 8 2HG ARG 8 4.681 4.956 -0.029 64 2HG ARG 8 1HG ARG 8 6.060 4.233 0.792 65 1HD ARG 8 1HD ARG 8 7.289 3.974 -1.375 66 2HD ARG 8 2HD ARG 8 5.891 4.634 -2.263 67 HE ARG 8 HE ARG 8 7.820 6.146 -0.572 68 1HH1 ARG 8 2HH2 ARG 8 4.644 6.251 -1.968 69 2HH1 ARG 8 1HH2 ARG 8 4.573 8.093 -1.866 70 1HH2 ARG 8 1HH1 ARG 8 7.670 8.134 -0.489 71 2HH2 ARG 8 2HH1 ARG 8 6.214 9.122 -1.060 72 H LEU 9 H LEU 9 3.454 0.146 0.981 73 HA LEU 9 HA LEU 9 2.121 -0.843 -1.479 74 1HB LEU 9 1HB LEU 9 3.280 -2.679 -0.737 75 2HB LEU 9 2HB LEU 9 3.492 -1.994 0.862 76 HG LEU 9 HG LEU 9 1.002 -2.814 1.304 77 1HD1 LEU 9 2HD1 LEU 9 0.489 -3.393 -1.087 78 2HD1 LEU 9 3HD1 LEU 9 1.784 -4.616 -1.091 79 3HD1 LEU 9 1HD1 LEU 9 0.358 -4.823 -0.046 80 1HD2 LEU 9 2HD2 LEU 9 3.368 -4.807 1.075 81 2HD2 LEU 9 3HD2 LEU 9 2.937 -3.818 2.493 82 3HD2 LEU 9 1HD2 LEU 9 1.855 -5.114 1.973 83 H ALA 10 H ALA 10 1.180 -0.278 1.846 84 HA ALA 10 HA ALA 10 -1.581 -1.131 1.552 85 1HB ALA 10 2HB ALA 10 -0.473 -0.640 3.773 86 2HB ALA 10 3HB ALA 10 -0.378 1.090 3.369 87 3HB ALA 10 1HB ALA 10 -1.960 0.313 3.612 88 H ALA 11 H ALA 11 0.061 1.776 0.609 89 HA ALA 11 HA ALA 11 -2.393 3.357 0.231 90 1HB ALA 11 2HB ALA 11 -0.114 4.391 0.595 91 2HB ALA 11 3HB ALA 11 0.462 3.723 -0.950 92 3HB ALA 11 1HB ALA 11 -0.806 4.972 -0.931 93 H ARG 12 H ARG 12 -0.407 1.374 -1.864 94 HA ARG 12 HA ARG 12 -1.892 1.991 -4.324 95 1HB ARG 12 1HB ARG 12 0.436 0.551 -3.679 96 2HB ARG 12 2HB ARG 12 -0.672 -0.770 -3.998 97 1HG ARG 12 1HG ARG 12 -0.461 1.528 -6.057 98 2HG ARG 12 2HG ARG 12 0.836 0.341 -5.963 99 1HD ARG 12 1HD ARG 12 -0.733 -1.510 -6.467 100 2HD ARG 12 2HD ARG 12 -2.141 -0.432 -6.293 101 HE ARG 12 HE ARG 12 -1.063 0.946 -8.238 102 1HH1 ARG 12 2HH2 ARG 12 -0.560 -2.477 -7.959 103 2HH1 ARG 12 1HH2 ARG 12 -0.274 -2.663 -9.773 104 1HH2 ARG 12 1HH1 ARG 12 -0.749 0.666 -10.189 105 2HH2 ARG 12 2HH1 ARG 12 -0.374 -0.958 -10.991 106 H LEU 13 H LEU 13 -2.179 -0.461 -1.834 107 HA LEU 13 HA LEU 13 -4.426 -1.824 -3.171 108 1HB LEU 13 1HB LEU 13 -3.092 -1.972 -0.423 109 2HB LEU 13 2HB LEU 13 -4.694 -2.665 -0.578 110 HG LEU 13 HG LEU 13 -2.180 -3.509 -2.136 111 1HD1 LEU 13 3HD2 LEU 13 -2.389 -4.300 0.309 112 2HD1 LEU 13 1HD2 LEU 13 -3.872 -5.153 -0.131 113 3HD1 LEU 13 2HD2 LEU 13 -2.321 -5.627 -0.876 114 1HD2 LEU 13 2HD1 LEU 13 -4.283 -3.654 -3.562 115 2HD2 LEU 13 3HD1 LEU 13 -3.587 -5.257 -3.221 116 3HD2 LEU 13 1HD1 LEU 13 -5.026 -4.698 -2.336 117 H GLU 14 H GLU 14 -4.208 0.968 -1.233 118 HA GLU 14 HA GLU 14 -6.926 1.018 -0.216 119 1HB GLU 14 1HB GLU 14 -4.748 2.672 0.000 120 2HB GLU 14 2HB GLU 14 -5.589 3.566 -1.243 121 1HG GLU 14 1HG GLU 14 -5.989 3.733 1.599 122 2HG GLU 14 2HG GLU 14 -6.874 4.599 0.369 123 H ALA 15 H ALA 15 -5.591 2.408 -3.176 124 HA ALA 15 HA ALA 15 -8.237 3.256 -4.176 125 1HB ALA 15 2HB ALA 15 -6.074 4.357 -4.886 126 2HB ALA 15 3HB ALA 15 -5.531 2.847 -5.655 127 3HB ALA 15 1HB ALA 15 -6.930 3.731 -6.309 128 H LEU 16 H LEU 16 -6.246 0.424 -4.511 129 HA LEU 16 HA LEU 16 -7.732 -0.748 -6.742 130 1HB LEU 16 2HB LEU 16 -5.815 -1.817 -4.613 131 2HB LEU 16 1HB LEU 16 -6.745 -2.991 -5.524 132 HG LEU 16 HG LEU 16 -5.081 -0.889 -6.999 133 1HD1 LEU 16 2HD1 LEU 16 -3.561 -1.946 -5.300 134 2HD1 LEU 16 3HD1 LEU 16 -4.016 -3.570 -5.871 135 3HD1 LEU 16 1HD1 LEU 16 -3.130 -2.458 -6.942 136 1HD2 LEU 16 2HD2 LEU 16 -5.952 -3.775 -7.728 137 2HD2 LEU 16 3HD2 LEU 16 -6.571 -2.262 -8.434 138 3HD2 LEU 16 1HD2 LEU 16 -4.896 -2.741 -8.731 139 H LYS 17 H LYS 17 -8.201 -0.764 -3.305 140 HA LYS 17 HA LYS 17 -10.472 -2.730 -3.666 141 1HB LYS 17 1HB LYS 17 -8.649 -3.178 -1.918 142 2HB LYS 17 2HB LYS 17 -9.096 -1.698 -1.083 143 1HG LYS 17 2HG LYS 17 -10.084 -4.116 -0.339 144 2HG LYS 17 1HG LYS 17 -11.042 -2.650 -0.145 145 1HD LYS 17 1HD LYS 17 -12.507 -3.101 -1.884 146 2HD LYS 17 2HD LYS 17 -11.359 -4.134 -2.758 147 1HE LYS 17 1HE LYS 17 -11.962 -6.040 -1.577 148 2HE LYS 17 2HE LYS 17 -11.893 -5.212 -0.013 149 1HZ LYS 17 2HZ LYS 17 -14.086 -4.396 -1.744 150 2HZ LYS 17 3HZ LYS 17 -14.157 -5.975 -1.170 151 3HZ LYS 17 1HZ LYS 17 -14.060 -4.691 -0.088 152 H GLU 18 H GLU 18 -10.632 0.016 -4.495 153 HA GLU 18 HA GLU 18 -12.615 1.130 -2.502 154 1HB GLU 18 1HB GLU 18 -10.627 2.405 -3.822 155 2HB GLU 18 2HB GLU 18 -11.788 2.480 -5.127 156 1HG GLU 18 2HG GLU 18 -13.423 3.645 -3.360 157 2HG GLU 18 1HG GLU 18 -12.015 3.801 -2.340 158 H ASN 19 H ASN 19 -14.155 -0.440 -2.835 159 HA ASN 19 HA ASN 19 -16.182 0.296 -4.831 160 1HB ASN 19 2HB ASN 19 -14.110 -1.353 -5.899 161 2HB ASN 19 1HB ASN 19 -15.318 -2.531 -5.442 162 1HD2 ASN 19 1HD2 ASN 19 -16.641 0.041 -8.307 163 2HD2 ASN 19 2HD2 ASN 19 -15.683 0.738 -6.889 164 H GLY 20 H GLY 20 -14.932 -2.538 -3.121 165 1HA GLY 20 2HA GLY 20 -16.135 -3.383 -1.070 166 2HA GLY 20 1HA GLY 20 -17.656 -2.755 -1.738 No H/Q in entry = 166 Start of MODEL 4 1 1H TYR 1 1H TYR 1 12.314 0.233 4.208 2 2H TYR 1 2H TYR 1 13.829 -0.457 4.455 3 3H TYR 1 3H TYR 1 13.547 0.491 3.094 4 HA TYR 1 HA TYR 1 12.483 -1.088 1.961 5 1HB TYR 1 1HB TYR 1 14.773 -2.029 2.627 6 2HB TYR 1 2HB TYR 1 14.083 -2.721 4.068 7 HD1 TYR 1 HD2 TYR 1 12.466 -2.845 0.660 8 HD2 TYR 1 HD1 TYR 1 14.529 -5.009 3.749 9 HE1 TYR 1 HE2 TYR 1 11.980 -4.975 -0.492 10 HE2 TYR 1 HE1 TYR 1 14.041 -7.121 2.593 11 HH TYR 1 HH TYR 1 13.157 -7.345 -0.519 12 H SER 2 H SER 2 12.161 -1.450 5.414 13 HA SER 2 HA SER 2 9.408 -2.630 4.900 14 1HB SER 2 2HB SER 2 11.044 -4.498 5.583 15 2HB SER 2 1HB SER 2 11.338 -3.642 7.088 16 HG SER 2 HG SER 2 9.600 -5.389 6.890 17 H ASP 3 H ASP 3 9.397 -0.174 5.120 18 HA ASP 3 HA ASP 3 7.786 0.338 7.418 19 1HB ASP 3 1HB ASP 3 9.715 0.294 8.924 20 2HB ASP 3 2HB ASP 3 10.744 1.102 7.763 21 H GLU 4 H GLU 4 10.111 1.801 5.243 22 HA GLU 4 HA GLU 4 8.248 4.134 4.826 23 1HB GLU 4 2HB GLU 4 10.753 3.588 3.152 24 2HB GLU 4 1HB GLU 4 10.049 5.128 3.579 25 1HG GLU 4 1HG GLU 4 11.759 5.300 5.108 26 2HG GLU 4 2HG GLU 4 10.797 4.263 6.130 27 H LEU 5 H LEU 5 9.367 1.249 3.223 28 HA LEU 5 HA LEU 5 7.808 1.992 0.745 29 1HB LEU 5 1HB LEU 5 9.830 -0.223 1.430 30 2HB LEU 5 2HB LEU 5 8.802 -0.393 0.020 31 HG LEU 5 HG LEU 5 10.541 2.105 0.366 32 1HD1 LEU 5 3HD2 LEU 5 12.014 0.002 0.575 33 2HD1 LEU 5 1HD2 LEU 5 11.481 -0.491 -1.036 34 3HD1 LEU 5 2HD2 LEU 5 12.409 1.020 -0.831 35 1HD2 LEU 5 2HD1 LEU 5 8.729 2.050 -1.425 36 2HD2 LEU 5 3HD1 LEU 5 10.361 2.192 -2.123 37 3HD2 LEU 5 1HD1 LEU 5 9.507 0.631 -2.150 38 H ARG 6 H ARG 6 7.728 -0.224 3.410 39 HA ARG 6 HA ARG 6 5.678 -1.988 2.365 40 1HB ARG 6 2HB ARG 6 7.192 -2.141 4.555 41 2HB ARG 6 1HB ARG 6 5.937 -1.194 5.334 42 1HG ARG 6 1HG ARG 6 5.151 -3.798 3.880 43 2HG ARG 6 2HG ARG 6 5.836 -3.850 5.501 44 1HD ARG 6 1HD ARG 6 3.967 -2.082 6.141 45 2HD ARG 6 2HD ARG 6 3.223 -2.508 4.578 46 HE ARG 6 HE ARG 6 2.788 -4.736 5.364 47 1HH1 ARG 6 2HH2 ARG 6 4.605 -2.989 7.752 48 2HH1 ARG 6 1HH2 ARG 6 4.266 -4.256 9.051 49 1HH2 ARG 6 1HH1 ARG 6 2.460 -6.060 6.821 50 2HH2 ARG 6 2HH1 ARG 6 3.102 -5.927 8.551 51 H GLN 7 H GLN 7 5.471 0.998 4.203 52 HA GLN 7 HA GLN 7 2.567 0.963 4.467 53 1HB GLN 7 1HB GLN 7 2.795 3.176 5.325 54 2HB GLN 7 2HB GLN 7 4.322 2.399 5.739 55 1HG GLN 7 2HG GLN 7 5.405 3.542 3.689 56 2HG GLN 7 1HG GLN 7 3.895 4.354 3.358 57 1HE2 GLN 7 2HE2 GLN 7 5.148 5.963 6.796 58 2HE2 GLN 7 1HE2 GLN 7 4.607 4.198 6.708 59 H ARG 8 H ARG 8 4.736 2.298 2.061 60 HA ARG 8 HA ARG 8 2.710 3.683 0.496 61 1HB ARG 8 1HB ARG 8 5.480 2.487 -0.136 62 2HB ARG 8 2HB ARG 8 4.504 3.127 -1.445 63 1HG ARG 8 2HG ARG 8 4.358 5.327 0.168 64 2HG ARG 8 1HG ARG 8 5.790 4.633 0.922 65 1HD ARG 8 1HD ARG 8 6.780 5.975 -0.725 66 2HD ARG 8 2HD ARG 8 6.723 4.408 -1.573 67 HE ARG 8 HE ARG 8 4.918 5.190 -2.948 68 1HH1 ARG 8 2HH2 ARG 8 5.668 7.581 -0.546 69 2HH1 ARG 8 1HH2 ARG 8 4.663 8.871 -1.401 70 1HH2 ARG 8 1HH1 ARG 8 3.849 6.635 -3.815 71 2HH2 ARG 8 2HH1 ARG 8 3.670 8.363 -3.178 72 H LEU 9 H LEU 9 3.761 0.370 0.622 73 HA LEU 9 HA LEU 9 2.299 -0.512 -1.781 74 1HB LEU 9 1HB LEU 9 3.598 -2.329 -1.285 75 2HB LEU 9 2HB LEU 9 3.935 -1.726 0.326 76 HG LEU 9 HG LEU 9 1.515 -2.759 0.909 77 1HD1 LEU 9 2HD1 LEU 9 0.945 -3.346 -1.468 78 2HD1 LEU 9 3HD1 LEU 9 2.360 -4.422 -1.565 79 3HD1 LEU 9 1HD1 LEU 9 1.020 -4.800 -0.456 80 1HD2 LEU 9 2HD2 LEU 9 4.064 -4.481 0.517 81 2HD2 LEU 9 3HD2 LEU 9 3.604 -3.569 1.976 82 3HD2 LEU 9 1HD2 LEU 9 2.641 -4.964 1.480 83 H ALA 10 H ALA 10 1.518 -0.355 1.632 84 HA ALA 10 HA ALA 10 -1.194 -1.373 1.368 85 1HB ALA 10 2HB ALA 10 0.011 -1.093 3.575 86 2HB ALA 10 3HB ALA 10 -0.032 0.677 3.400 87 3HB ALA 10 1HB ALA 10 -1.543 -0.239 3.618 88 H ALA 11 H ALA 11 0.199 1.711 0.650 89 HA ALA 11 HA ALA 11 -2.296 3.199 0.412 90 1HB ALA 11 2HB ALA 11 -0.008 4.276 0.437 91 2HB ALA 11 3HB ALA 11 0.382 3.537 -1.135 92 3HB ALA 11 1HB ALA 11 -0.895 4.771 -1.017 93 H ARG 12 H ARG 12 -0.369 1.595 -2.090 94 HA ARG 12 HA ARG 12 -2.238 2.138 -4.236 95 1HB ARG 12 1HB ARG 12 0.280 0.814 -3.929 96 2HB ARG 12 2HB ARG 12 -0.780 -0.477 -4.464 97 1HG ARG 12 1HG ARG 12 -1.494 1.279 -6.409 98 2HG ARG 12 2HG ARG 12 -0.030 2.133 -5.932 99 1HD ARG 12 1HD ARG 12 0.991 -0.439 -6.159 100 2HD ARG 12 2HD ARG 12 -0.355 -0.537 -7.324 101 HE ARG 12 HE ARG 12 0.576 1.613 -8.379 102 1HH1 ARG 12 2HH2 ARG 12 2.715 -0.401 -6.530 103 2HH1 ARG 12 1HH2 ARG 12 4.205 0.227 -7.421 104 1HH2 ARG 12 1HH1 ARG 12 2.231 2.243 -9.299 105 2HH2 ARG 12 2HH1 ARG 12 3.948 1.665 -8.927 106 H LEU 13 H LEU 13 -2.038 -0.445 -1.901 107 HA LEU 13 HA LEU 13 -4.092 -2.113 -3.176 108 1HB LEU 13 1HB LEU 13 -3.371 -3.597 -1.601 109 2HB LEU 13 2HB LEU 13 -2.301 -2.361 -0.969 110 HG LEU 13 HG LEU 13 -4.216 -1.605 0.584 111 1HD1 LEU 13 2HD1 LEU 13 -6.113 -2.634 -0.703 112 2HD1 LEU 13 3HD1 LEU 13 -5.492 -4.267 -0.356 113 3HD1 LEU 13 1HD1 LEU 13 -6.082 -3.231 0.966 114 1HD2 LEU 13 2HD2 LEU 13 -3.129 -4.491 0.909 115 2HD2 LEU 13 3HD2 LEU 13 -2.373 -2.992 1.502 116 3HD2 LEU 13 1HD2 LEU 13 -3.899 -3.536 2.206 117 H GLU 14 H GLU 14 -4.158 0.463 -0.858 118 HA GLU 14 HA GLU 14 -6.897 0.035 0.039 119 1HB GLU 14 1HB GLU 14 -4.758 2.065 0.327 120 2HB GLU 14 2HB GLU 14 -6.294 2.870 0.115 121 1HG GLU 14 1HG GLU 14 -5.933 0.674 2.267 122 2HG GLU 14 2HG GLU 14 -5.447 2.321 2.580 123 H ALA 15 H ALA 15 -5.507 1.838 -2.612 124 HA ALA 15 HA ALA 15 -8.024 3.228 -3.276 125 1HB ALA 15 2HB ALA 15 -5.738 4.148 -3.846 126 2HB ALA 15 3HB ALA 15 -5.436 2.782 -4.945 127 3HB ALA 15 1HB ALA 15 -6.706 3.972 -5.322 128 H LEU 16 H LEU 16 -6.496 0.269 -4.286 129 HA LEU 16 HA LEU 16 -8.309 -0.069 -6.614 130 1HB LEU 16 1HB LEU 16 -6.260 -1.884 -5.231 131 2HB LEU 16 2HB LEU 16 -7.295 -2.520 -6.499 132 HG LEU 16 HG LEU 16 -5.266 -0.224 -6.807 133 1HD1 LEU 16 2HD1 LEU 16 -4.208 -2.483 -6.503 134 2HD1 LEU 16 3HD1 LEU 16 -5.175 -3.141 -7.846 135 3HD1 LEU 16 1HD1 LEU 16 -3.956 -1.881 -8.152 136 1HD2 LEU 16 2HD2 LEU 16 -7.048 -1.565 -8.963 137 2HD2 LEU 16 3HD2 LEU 16 -7.116 0.132 -8.425 138 3HD2 LEU 16 1HD2 LEU 16 -5.696 -0.449 -9.302 139 H LYS 17 H LYS 17 -8.203 -1.172 -3.320 140 HA LYS 17 HA LYS 17 -10.585 -2.945 -3.850 141 1HB LYS 17 1HB LYS 17 -8.557 -3.804 -2.536 142 2HB LYS 17 2HB LYS 17 -8.858 -2.595 -1.296 143 1HG LYS 17 1HG LYS 17 -9.797 -5.118 -1.029 144 2HG LYS 17 2HG LYS 17 -10.716 -3.748 -0.411 145 1HD LYS 17 1HD LYS 17 -12.257 -3.868 -2.308 146 2HD LYS 17 2HD LYS 17 -11.161 -4.916 -3.230 147 1HE LYS 17 1HE LYS 17 -11.393 -6.449 -0.921 148 2HE LYS 17 2HE LYS 17 -12.976 -5.658 -0.890 149 1HZ LYS 17 1HZ LYS 17 -13.255 -6.319 -3.249 150 2HZ LYS 17 2HZ LYS 17 -11.824 -7.198 -3.157 151 3HZ LYS 17 3HZ LYS 17 -13.134 -7.620 -2.191 152 H GLU 18 H GLU 18 -10.771 -0.067 -3.901 153 HA GLU 18 HA GLU 18 -12.476 0.463 -1.464 154 1HB GLU 18 2HB GLU 18 -10.767 2.156 -2.258 155 2HB GLU 18 1HB GLU 18 -11.582 2.273 -3.799 156 1HG GLU 18 2HG GLU 18 -13.304 3.671 -2.977 157 2HG GLU 18 1HG GLU 18 -13.339 2.911 -1.406 158 H ASN 19 H ASN 19 -13.341 -1.481 -3.265 159 HA ASN 19 HA ASN 19 -16.109 -0.554 -3.588 160 1HB ASN 19 1HB ASN 19 -15.056 0.603 -5.598 161 2HB ASN 19 2HB ASN 19 -14.445 -0.923 -6.191 162 1HD2 ASN 19 1HD2 ASN 19 -17.520 -1.638 -7.812 163 2HD2 ASN 19 2HD2 ASN 19 -15.840 -2.257 -7.359 164 H GLY 20 H GLY 20 -14.045 -2.737 -5.454 165 1HA GLY 20 1HA GLY 20 -15.262 -5.154 -4.145 166 2HA GLY 20 2HA GLY 20 -15.849 -4.872 -5.797 No H/Q in entry = 166 Start of MODEL 5 1 1H TYR 1 2H TYR 1 14.383 -4.846 5.786 2 2H TYR 1 3H TYR 1 15.523 -4.476 6.967 3 3H TYR 1 1H TYR 1 13.952 -4.881 7.412 4 HA TYR 1 HA TYR 1 13.660 -2.710 7.587 5 1HB TYR 1 1HB TYR 1 15.065 -1.036 6.301 6 2HB TYR 1 2HB TYR 1 16.065 -2.101 7.246 7 HD1 TYR 1 HD1 TYR 1 15.632 -4.502 5.075 8 HD2 TYR 1 HD2 TYR 1 17.074 -0.454 4.939 9 HE1 TYR 1 HE1 TYR 1 17.026 -5.062 3.133 10 HE2 TYR 1 HE2 TYR 1 18.474 -1.031 2.988 11 HH TYR 1 HH TYR 1 18.087 -3.880 1.228 12 H SER 2 H SER 2 11.774 -2.357 6.938 13 HA SER 2 HA SER 2 11.230 -1.508 4.166 14 1HB SER 2 1HB SER 2 10.718 -4.369 4.911 15 2HB SER 2 2HB SER 2 9.305 -3.585 4.225 16 HG SER 2 HG SER 2 10.379 -4.275 2.489 17 H ASP 3 H ASP 3 10.866 0.130 5.828 18 HA ASP 3 HA ASP 3 8.204 -0.232 7.187 19 1HB ASP 3 1HB ASP 3 10.677 0.964 8.051 20 2HB ASP 3 2HB ASP 3 9.650 2.343 7.725 21 H GLU 4 H GLU 4 9.811 1.713 4.811 22 HA GLU 4 HA GLU 4 7.433 3.555 4.633 23 1HB GLU 4 2HB GLU 4 9.581 3.860 2.578 24 2HB GLU 4 1HB GLU 4 8.905 5.055 3.658 25 1HG GLU 4 1HG GLU 4 10.673 4.922 5.137 26 2HG GLU 4 2HG GLU 4 10.647 3.178 5.190 27 H LEU 5 H LEU 5 9.086 1.119 2.725 28 HA LEU 5 HA LEU 5 7.402 1.659 0.335 29 1HB LEU 5 1HB LEU 5 9.360 -0.626 1.038 30 2HB LEU 5 2HB LEU 5 8.474 -0.588 -0.474 31 HG LEU 5 HG LEU 5 9.984 1.939 0.033 32 1HD1 LEU 5 2HD1 LEU 5 11.532 0.330 1.186 33 2HD1 LEU 5 3HD1 LEU 5 11.568 -0.708 -0.261 34 3HD1 LEU 5 1HD1 LEU 5 12.252 0.935 -0.318 35 1HD2 LEU 5 2HD2 LEU 5 9.956 -0.080 -2.322 36 2HD2 LEU 5 3HD2 LEU 5 9.053 1.451 -2.217 37 3HD2 LEU 5 1HD2 LEU 5 10.816 1.485 -2.327 38 H ARG 6 H ARG 6 7.254 -0.481 3.048 39 HA ARG 6 HA ARG 6 5.142 -2.190 1.953 40 1HB ARG 6 2HB ARG 6 6.675 -2.455 4.131 41 2HB ARG 6 1HB ARG 6 5.450 -1.492 4.939 42 1HG ARG 6 1HG ARG 6 3.654 -3.202 4.344 43 2HG ARG 6 2HG ARG 6 4.862 -4.174 3.509 44 1HD ARG 6 1HD ARG 6 4.429 -5.037 5.814 45 2HD ARG 6 2HD ARG 6 6.122 -4.498 5.665 46 HE ARG 6 HE ARG 6 5.688 -2.677 7.131 47 1HH1 ARG 6 2HH2 ARG 6 2.654 -4.105 6.234 48 2HH1 ARG 6 1HH2 ARG 6 1.729 -3.124 7.495 49 1HH2 ARG 6 1HH1 ARG 6 4.622 -1.653 8.471 50 2HH2 ARG 6 2HH1 ARG 6 2.793 -1.789 8.714 51 H GLN 7 H GLN 7 5.124 0.779 3.824 52 HA GLN 7 HA GLN 7 2.225 1.038 3.969 53 1HB GLN 7 1HB GLN 7 4.481 3.145 3.918 54 2HB GLN 7 2HB GLN 7 2.795 3.556 4.221 55 1HG GLN 7 2HG GLN 7 3.508 1.414 6.099 56 2HG GLN 7 1HG GLN 7 4.823 2.563 6.131 57 1HE2 GLN 7 2HE2 GLN 7 1.906 4.929 7.239 58 2HE2 GLN 7 1HE2 GLN 7 2.439 4.609 5.498 59 H ARG 8 H ARG 8 4.571 1.864 1.526 60 HA ARG 8 HA ARG 8 2.698 3.395 -0.158 61 1HB ARG 8 1HB ARG 8 5.411 2.006 -0.621 62 2HB ARG 8 2HB ARG 8 4.521 2.633 -1.996 63 1HG ARG 8 2HG ARG 8 4.519 4.810 -0.107 64 2HG ARG 8 1HG ARG 8 6.121 4.103 0.075 65 1HD ARG 8 1HD ARG 8 6.714 4.463 -2.230 66 2HD ARG 8 2HD ARG 8 5.019 4.699 -2.728 67 HE ARG 8 HE ARG 8 4.984 6.875 -1.590 68 1HH1 ARG 8 2HH2 ARG 8 8.138 5.424 -1.596 69 2HH1 ARG 8 1HH2 ARG 8 8.965 7.032 -1.223 70 1HH2 ARG 8 1HH1 ARG 8 5.948 8.575 -1.184 71 2HH2 ARG 8 2HH1 ARG 8 7.780 8.748 -0.997 72 H LEU 9 H LEU 9 3.466 0.036 0.251 73 HA LEU 9 HA LEU 9 2.093 -0.879 -2.182 74 1HB LEU 9 1HB LEU 9 3.238 -2.743 -1.503 75 2HB LEU 9 2HB LEU 9 3.495 -2.079 0.099 76 HG LEU 9 HG LEU 9 0.992 -2.921 0.564 77 1HD1 LEU 9 3HD2 LEU 9 0.624 -3.655 -1.881 78 2HD1 LEU 9 1HD2 LEU 9 1.842 -4.914 -1.649 79 3HD1 LEU 9 2HD2 LEU 9 0.337 -4.946 -0.688 80 1HD2 LEU 9 2HD1 LEU 9 3.137 -3.714 1.678 81 2HD2 LEU 9 3HD1 LEU 9 1.966 -5.036 1.451 82 3HD2 LEU 9 1HD1 LEU 9 3.370 -4.885 0.368 83 H ALA 10 H ALA 10 1.100 -0.472 1.151 84 HA ALA 10 HA ALA 10 -1.612 -1.460 0.755 85 1HB ALA 10 2HB ALA 10 -0.531 -1.152 3.023 86 2HB ALA 10 3HB ALA 10 -0.527 0.614 2.806 87 3HB ALA 10 1HB ALA 10 -2.067 -0.266 2.956 88 H ALA 11 H ALA 11 -0.118 1.594 0.091 89 HA ALA 11 HA ALA 11 -2.631 3.099 -0.160 90 1HB ALA 11 2HB ALA 11 -0.381 4.191 0.223 91 2HB ALA 11 3HB ALA 11 0.184 3.639 -1.372 92 3HB ALA 11 1HB ALA 11 -1.126 4.838 -1.251 93 H ARG 12 H ARG 12 -0.575 1.405 -2.454 94 HA ARG 12 HA ARG 12 -2.158 2.161 -4.812 95 1HB ARG 12 1HB ARG 12 0.255 0.696 -4.268 96 2HB ARG 12 2HB ARG 12 -0.811 -0.508 -4.968 97 1HG ARG 12 2HG ARG 12 -1.214 1.410 -6.866 98 2HG ARG 12 1HG ARG 12 0.300 2.069 -6.253 99 1HD ARG 12 1HD ARG 12 0.686 -0.806 -6.582 100 2HD ARG 12 2HD ARG 12 -0.061 -0.163 -8.067 101 HE ARG 12 HE ARG 12 2.652 0.394 -7.079 102 1HH1 ARG 12 2HH2 ARG 12 0.066 1.883 -8.852 103 2HH1 ARG 12 1HH2 ARG 12 1.219 3.025 -9.731 104 1HH2 ARG 12 1HH1 ARG 12 3.837 1.662 -8.065 105 2HH2 ARG 12 2HH1 ARG 12 3.271 2.909 -9.309 106 H LEU 13 H LEU 13 -2.216 -0.534 -2.574 107 HA LEU 13 HA LEU 13 -4.419 -1.904 -3.977 108 1HB LEU 13 1HB LEU 13 -3.049 -2.199 -1.253 109 2HB LEU 13 2HB LEU 13 -4.588 -3.001 -1.494 110 HG LEU 13 HG LEU 13 -2.390 -3.486 -3.542 111 1HD1 LEU 13 3HD2 LEU 13 -1.319 -3.769 -1.214 112 2HD1 LEU 13 1HD2 LEU 13 -2.510 -5.024 -0.858 113 3HD1 LEU 13 2HD2 LEU 13 -1.341 -5.262 -2.186 114 1HD2 LEU 13 2HD1 LEU 13 -4.736 -4.425 -3.836 115 2HD2 LEU 13 3HD1 LEU 13 -3.507 -5.707 -3.718 116 3HD2 LEU 13 1HD1 LEU 13 -4.549 -5.332 -2.324 117 H GLU 14 H GLU 14 -4.291 0.719 -1.810 118 HA GLU 14 HA GLU 14 -6.947 0.378 -0.639 119 1HB GLU 14 1HB GLU 14 -5.116 1.891 0.256 120 2HB GLU 14 2HB GLU 14 -5.275 2.931 -1.138 121 1HG GLU 14 1HG GLU 14 -7.605 3.607 -0.412 122 2HG GLU 14 2HG GLU 14 -7.558 2.483 0.923 123 H ALA 15 H ALA 15 -5.767 1.993 -3.515 124 HA ALA 15 HA ALA 15 -8.230 3.474 -4.074 125 1HB ALA 15 2HB ALA 15 -5.986 4.042 -5.094 126 2HB ALA 15 3HB ALA 15 -5.983 2.509 -5.998 127 3HB ALA 15 1HB ALA 15 -7.183 3.769 -6.375 128 H LEU 16 H LEU 16 -7.073 0.302 -5.002 129 HA LEU 16 HA LEU 16 -9.444 -0.147 -6.757 130 1HB LEU 16 1HB LEU 16 -7.223 -2.067 -5.829 131 2HB LEU 16 2HB LEU 16 -8.462 -2.498 -6.994 132 HG LEU 16 HG LEU 16 -6.636 -0.113 -7.562 133 1HD1 LEU 16 2HD1 LEU 16 -5.114 -1.994 -6.885 134 2HD1 LEU 16 3HD1 LEU 16 -5.892 -3.077 -8.065 135 3HD1 LEU 16 1HD1 LEU 16 -4.973 -1.657 -8.620 136 1HD2 LEU 16 2HD2 LEU 16 -8.045 -2.175 -9.401 137 2HD2 LEU 16 3HD2 LEU 16 -8.492 -0.466 -9.173 138 3HD2 LEU 16 1HD2 LEU 16 -6.966 -0.870 -9.966 139 H LYS 17 H LYS 17 -8.520 -0.857 -3.512 140 HA LYS 17 HA LYS 17 -10.392 -3.122 -3.188 141 1HB LYS 17 1HB LYS 17 -8.564 -3.135 -1.647 142 2HB LYS 17 2HB LYS 17 -8.650 -1.410 -1.323 143 1HG LYS 17 1HG LYS 17 -9.434 -2.682 0.670 144 2HG LYS 17 2HG LYS 17 -10.779 -1.750 0.017 145 1HD LYS 17 1HD LYS 17 -11.444 -3.989 -1.213 146 2HD LYS 17 2HD LYS 17 -10.219 -4.774 -0.197 147 1HE LYS 17 1HE LYS 17 -11.569 -3.220 1.722 148 2HE LYS 17 2HE LYS 17 -12.902 -3.620 0.628 149 1HZ LYS 17 2HZ LYS 17 -11.058 -5.793 1.293 150 2HZ LYS 17 3HZ LYS 17 -12.094 -5.261 2.505 151 3HZ LYS 17 1HZ LYS 17 -12.721 -5.820 1.048 152 H GLU 18 H GLU 18 -10.924 0.169 -3.471 153 HA GLU 18 HA GLU 18 -13.186 0.224 -1.489 154 1HB GLU 18 2HB GLU 18 -11.455 2.155 -2.081 155 2HB GLU 18 1HB GLU 18 -12.422 2.410 -3.515 156 1HG GLU 18 1HG GLU 18 -12.907 3.949 -1.450 157 2HG GLU 18 2HG GLU 18 -14.285 3.314 -2.312 158 H ASN 19 H ASN 19 -14.489 -1.321 -2.337 159 HA ASN 19 HA ASN 19 -16.511 -0.274 -4.184 160 1HB ASN 19 1HB ASN 19 -14.597 -0.904 -5.821 161 2HB ASN 19 2HB ASN 19 -14.747 -2.572 -5.320 162 1HD2 ASN 19 1HD2 ASN 19 -16.768 -1.827 -8.442 163 2HD2 ASN 19 2HD2 ASN 19 -15.068 -1.301 -7.945 164 H GLY 20 H GLY 20 -15.032 -3.336 -3.210 165 1HA GLY 20 1HA GLY 20 -16.971 -4.161 -1.315 166 2HA GLY 20 2HA GLY 20 -17.702 -4.647 -2.859
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