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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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7563 |
1kqe ![]() ![]() |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1HA ETA 1 1H2 ETA 1 -1.122 23.300 3.581 2 2HA ETA 1 2H2 ETA 1 0.268 24.243 2.991 3 1HN ETA 1 H ETA 1 -0.462 21.451 2.064 4 1HB ETA 1 1H1 ETA 1 1.724 23.314 4.530 5 2HB ETA 1 2H1 ETA 1 0.898 21.737 4.514 6 HO ETA 1 HO ETA 1 -0.208 22.376 6.205 7 H TRP 2 H TRP 2 -0.851 21.624 -0.064 8 HA TRP 2 HA TRP 2 1.723 20.561 0.678 9 1HB TRP 2 2HB TRP 2 1.855 23.015 -1.014 10 2HB TRP 2 1HB TRP 2 3.107 21.833 -0.662 11 HD1 TRP 2 1HD TRP 2 -0.166 22.048 -2.714 12 HE1 TRP 2 1HE TRP 2 0.133 20.625 -4.838 13 HE3 TRP 2 3HE TRP 2 4.420 20.068 -1.703 14 HZ2 TRP 2 2HZ TRP 2 2.074 18.887 -5.937 15 HZ3 TRP 2 3HZ TRP 2 5.438 18.535 -3.338 16 HH2 TRP 2 2HH TRP 2 4.283 17.952 -5.408 17 H DLE 3 H DLE 3 -1.836 17.425 -0.745 18 HA DLE 3 HA DLE 3 -2.358 20.321 -0.915 19 1HB DLE 3 1HB DLE 3 -1.064 18.520 -2.960 20 2HB DLE 3 2HB DLE 3 -1.427 20.224 -3.168 21 HG DLE 3 HG DLE 3 -3.715 18.470 -2.488 22 1HD1 DLE 3 1HD1 DLE 3 -2.119 17.340 -4.253 23 2HD1 DLE 3 2HD1 DLE 3 -2.878 18.502 -5.339 24 3HD1 DLE 3 3HD1 DLE 3 -3.870 17.336 -4.464 25 1HD2 DLE 3 1HD2 DLE 3 -4.310 20.020 -4.683 26 2HD2 DLE 3 2HD2 DLE 3 -3.177 21.020 -3.773 27 3HD2 DLE 3 3HD2 DLE 3 -4.648 20.427 -3.001 28 H TRP 4 H TRP 4 -2.627 17.480 2.784 29 HA TRP 4 HA TRP 4 -3.181 16.225 0.273 30 1HB TRP 4 2HB TRP 4 -5.321 16.210 1.817 31 2HB TRP 4 1HB TRP 4 -5.449 17.840 1.197 32 HD1 TRP 4 1HD TRP 4 -6.194 18.130 -1.344 33 HE1 TRP 4 1HE TRP 4 -7.075 16.471 -3.103 34 HE3 TRP 4 3HE TRP 4 -4.990 13.818 1.011 35 HZ2 TRP 4 2HZ TRP 4 -7.229 13.661 -3.436 36 HZ3 TRP 4 3HZ TRP 4 -5.528 11.659 -0.070 37 HH2 TRP 4 2HH TRP 4 -6.623 11.591 -2.255 38 H DLE 5 H DLE 5 -1.363 13.435 3.679 39 HA DLE 5 HA DLE 5 -1.795 16.267 4.362 40 1HB DLE 5 1HB DLE 5 -3.771 14.018 4.588 41 2HB DLE 5 2HB DLE 5 -3.992 15.639 5.185 42 HG DLE 5 HG DLE 5 -2.146 13.497 6.296 43 1HD1 DLE 5 1HD1 DLE 5 -4.043 12.914 7.310 44 2HD1 DLE 5 2HD1 DLE 5 -4.833 14.447 6.948 45 3HD1 DLE 5 3HD1 DLE 5 -3.750 14.318 8.334 46 1HD2 DLE 5 1HD2 DLE 5 -2.369 16.387 7.176 47 2HD2 DLE 5 2HD2 DLE 5 -0.923 15.514 6.661 48 3HD2 DLE 5 3HD2 DLE 5 -1.707 15.098 8.176 49 H TRP 6 H TRP 6 1.382 14.316 1.774 50 HA TRP 6 HA TRP 6 0.602 12.623 3.951 51 1HB TRP 6 2HB TRP 6 3.183 13.216 4.154 52 2HB TRP 6 1HB TRP 6 2.527 14.691 4.880 53 HD1 TRP 6 1HD TRP 6 0.496 14.055 6.771 54 HE1 TRP 6 1HE TRP 6 0.668 12.371 8.714 55 HE3 TRP 6 3HE TRP 6 4.226 11.147 4.938 56 HZ2 TRP 6 2HZ TRP 6 2.200 10.083 9.360 57 HZ3 TRP 6 3HZ TRP 6 4.999 9.219 6.258 58 HH2 TRP 6 2HH TRP 6 3.999 8.696 8.425 59 H DLE 7 H DLE 7 1.687 10.424 -0.022 60 HA DLE 7 HA DLE 7 2.019 13.338 -0.102 61 1HB DLE 7 1HB DLE 7 4.231 11.602 0.886 62 2HB DLE 7 2HB DLE 7 4.292 13.273 0.362 63 HG DLE 7 HG DLE 7 3.524 11.244 -1.669 64 1HD1 DLE 7 1HD1 DLE 7 4.931 13.868 -1.565 65 2HD1 DLE 7 2HD1 DLE 7 3.578 13.351 -2.573 66 3HD1 DLE 7 3HD1 DLE 7 5.210 12.784 -2.929 67 1HD2 DLE 7 1HD2 DLE 7 6.341 11.559 -0.651 68 2HD2 DLE 7 2HD2 DLE 7 5.885 10.741 -2.147 69 3HD2 DLE 7 3HD2 DLE 7 5.352 10.099 -0.593 70 H TRP 8 H TRP 8 -1.502 10.179 -1.912 71 HA TRP 8 HA TRP 8 1.253 9.498 -2.349 72 1HB TRP 8 2HB TRP 8 -0.479 9.900 -4.116 73 2HB TRP 8 1HB TRP 8 -0.421 11.586 -3.667 74 HD1 TRP 8 1HD TRP 8 1.422 13.041 -4.803 75 HE1 TRP 8 1HE TRP 8 3.435 12.529 -6.330 76 HE3 TRP 8 3HE TRP 8 1.361 7.986 -4.482 77 HZ2 TRP 8 2HZ TRP 8 4.826 10.245 -7.263 78 HZ3 TRP 8 3HZ TRP 8 3.065 6.685 -5.704 79 HH2 TRP 8 2HH TRP 8 4.760 7.795 -7.068 80 1HN DVA 9 H DVA 9 -1.433 6.458 0.243 81 HA DVA 9 HA DVA 9 -2.300 9.241 0.526 82 HB DVA 9 HB DVA 9 -3.478 9.359 -1.404 83 1HG1 DVA 9 1HG1 DVA 9 -3.105 7.405 -3.206 84 2HG1 DVA 9 2HG1 DVA 9 -1.501 7.467 -2.475 85 3HG1 DVA 9 3HG1 DVA 9 -2.195 8.921 -3.196 86 1HG2 DVA 9 1HG2 DVA 9 -5.101 7.809 -1.294 87 2HG2 DVA 9 2HG2 DVA 9 -4.210 7.272 0.127 88 3HG2 DVA 9 3HG2 DVA 9 -3.981 6.455 -1.421 89 H VAL 10 H VAL 10 -0.235 6.611 3.302 90 HA VAL 10 HA VAL 10 -2.292 5.066 1.951 91 HB VAL 10 HB VAL 10 -2.561 6.188 4.707 92 1HG1 VAL 10 1HG2 VAL 10 -4.333 7.438 4.160 93 2HG1 VAL 10 2HG2 VAL 10 -5.180 5.892 4.086 94 3HG1 VAL 10 3HG2 VAL 10 -4.561 6.629 2.607 95 1HG2 VAL 10 1HG1 VAL 10 -2.364 3.752 4.173 96 2HG2 VAL 10 2HG1 VAL 10 -3.947 3.860 3.405 97 3HG2 VAL 10 3HG1 VAL 10 -3.779 4.193 5.129 98 1HN DVA 11 H DVA 11 1.975 2.876 2.726 99 HA DVA 11 HA DVA 11 1.703 5.705 3.491 100 HB DVA 11 HB DVA 11 1.039 5.255 5.696 101 1HG1 DVA 11 1HG1 DVA 11 1.050 2.274 5.277 102 2HG1 DVA 11 2HG1 DVA 11 -0.404 3.254 5.086 103 3HG1 DVA 11 3HG1 DVA 11 0.418 3.191 6.642 104 1HG2 DVA 11 1HG2 DVA 11 3.357 5.118 5.770 105 2HG2 DVA 11 2HG2 DVA 11 3.399 3.579 4.910 106 3HG2 DVA 11 3HG2 DVA 11 2.854 3.640 6.583 107 H ALA 12 H ALA 12 2.882 3.314 -0.065 108 HA ALA 12 HA ALA 12 4.480 2.430 2.235 109 1HB ALA 12 1HB ALA 12 6.324 3.582 1.733 110 2HB ALA 12 2HB ALA 12 5.410 4.974 1.149 111 3HB ALA 12 3HB ALA 12 5.704 3.599 0.083 112 1H2 SIN 13 1H2 SUC 13 2.008 1.807 -1.339 113 2H2 SIN 13 2H2 SUC 13 3.373 0.955 -2.024 114 1H3 SIN 13 1H3 SUC 13 2.717 -1.098 -1.099 115 2H3 SIN 13 2H3 SUC 13 1.749 -0.339 0.139 116 H ALA 14 H ALA 14 1.083 -2.437 -1.784 117 HA ALA 14 HA ALA 14 -1.347 -1.240 -2.930 118 1HB ALA 14 1HB ALA 14 -1.051 -2.130 -5.038 119 2HB ALA 14 2HB ALA 14 0.113 -3.333 -4.484 120 3HB ALA 14 3HB ALA 14 0.594 -1.642 -4.627 121 1HN DVA 15 H DVA 15 -1.523 -2.397 -0.603 122 HA DVA 15 HA DVA 15 -2.284 -5.207 -1.045 123 HB DVA 15 HB DVA 15 -4.401 -4.992 -0.049 124 1HG1 DVA 15 1HG1 DVA 15 -5.258 -3.178 1.189 125 2HG1 DVA 15 2HG1 DVA 15 -3.954 -2.107 0.691 126 3HG1 DVA 15 3HG1 DVA 15 -3.628 -3.435 1.804 127 1HG2 DVA 15 1HG2 DVA 15 -3.776 -2.908 -2.062 128 2HG2 DVA 15 2HG2 DVA 15 -5.331 -2.787 -1.244 129 3HG2 DVA 15 3HG2 DVA 15 -4.918 -4.253 -2.131 130 H VAL 16 H VAL 16 -1.859 -6.580 0.576 131 HA VAL 16 HA VAL 16 -0.282 -5.563 2.792 132 HB VAL 16 HB VAL 16 -2.999 -6.763 3.074 133 1HG1 VAL 16 1HG2 VAL 16 -2.066 -7.099 5.603 134 2HG1 VAL 16 2HG2 VAL 16 -0.702 -7.670 4.643 135 3HG1 VAL 16 3HG2 VAL 16 -2.299 -8.391 4.425 136 1HG2 VAL 16 1HG1 VAL 16 -3.195 -5.163 4.872 137 2HG2 VAL 16 2HG1 VAL 16 -2.570 -4.366 3.428 138 3HG2 VAL 16 3HG1 VAL 16 -1.478 -4.775 4.750 139 1HN DVA 17 H DVA 17 1.337 -6.677 1.503 140 HA DVA 17 HA DVA 17 1.089 -9.592 1.611 141 HB DVA 17 HB DVA 17 3.112 -10.010 2.537 142 1HG1 DVA 17 1HG1 DVA 17 4.038 -7.674 1.033 143 2HG1 DVA 17 2HG1 DVA 17 4.820 -9.234 1.324 144 3HG1 DVA 17 3HG1 DVA 17 4.880 -7.965 2.556 145 1HG2 DVA 17 1HG2 DVA 17 1.681 -8.173 3.922 146 2HG2 DVA 17 2HG2 DVA 17 3.257 -7.384 3.835 147 3HG2 DVA 17 3HG2 DVA 17 3.116 -8.996 4.529 148 H TRP 18 H TRP 18 3.484 -10.205 0.377 149 HA TRP 18 HA TRP 18 3.632 -8.825 -2.137 150 1HB TRP 18 2HB TRP 18 5.556 -9.654 -0.738 151 2HB TRP 18 1HB TRP 18 5.089 -11.259 -1.228 152 HD1 TRP 18 HD TRP 18 6.096 -12.129 -3.459 153 HE1 TRP 18 1HE TRP 18 7.418 -11.049 -5.391 154 HE3 TRP 18 3HE TRP 18 5.673 -7.281 -2.060 155 HZ2 TRP 18 2HZ TRP 18 8.163 -8.445 -6.218 156 HZ3 TRP 18 3HZ TRP 18 6.696 -5.528 -3.470 157 HH2 TRP 18 HH TRP 18 7.920 -6.105 -5.505 158 H DLE 19 H DLE 19 1.254 -9.684 -2.510 159 HA DLE 19 HA DLE 19 1.330 -12.402 -3.593 160 1HB DLE 19 1HB DLE 19 0.016 -10.203 -5.135 161 2HB DLE 19 2HB DLE 19 0.547 -11.777 -5.697 162 HG DLE 19 HG DLE 19 2.669 -9.968 -4.702 163 1HD1 DLE 19 1HD1 DLE 19 3.791 -11.637 -5.644 164 2HD1 DLE 19 2HD1 DLE 19 3.313 -10.955 -7.199 165 3HD1 DLE 19 3HD1 DLE 19 2.352 -12.241 -6.469 166 1HD2 DLE 19 1HD2 DLE 19 1.313 -8.370 -5.910 167 2HD2 DLE 19 2HD2 DLE 19 1.226 -9.457 -7.297 168 3HD2 DLE 19 3HD2 DLE 19 2.770 -8.745 -6.828 169 H TRP 20 H TRP 20 -0.479 -13.591 -3.050 170 HA TRP 20 HA TRP 20 -2.502 -12.196 -1.537 171 1HB TRP 20 2HB TRP 20 -3.069 -12.240 -4.128 172 2HB TRP 20 1HB TRP 20 -3.661 -13.854 -3.720 173 HD1 TRP 20 HD TRP 20 -5.251 -13.743 -1.344 174 HE1 TRP 20 1HE TRP 20 -7.262 -12.188 -0.927 175 HE3 TRP 20 3HE TRP 20 -4.063 -10.067 -4.623 176 HZ2 TRP 20 2HZ TRP 20 -8.200 -9.699 -1.880 177 HZ3 TRP 20 3HZ TRP 20 -5.551 -8.118 -4.827 178 HH2 TRP 20 HH TRP 20 -7.576 -7.936 -3.473 179 H DLE 21 H DLE 21 -2.584 -13.376 0.233 180 HA DLE 21 HA DLE 21 -2.943 -16.291 0.044 181 1HB DLE 21 1HB DLE 21 -2.932 -14.560 2.501 182 2HB DLE 21 2HB DLE 21 -3.444 -16.221 2.428 183 HG DLE 21 HG DLE 21 -4.886 -13.814 1.254 184 1HD1 DLE 21 1HD1 DLE 21 -5.565 -13.659 3.381 185 2HD1 DLE 21 2HD1 DLE 21 -5.092 -15.312 3.767 186 3HD1 DLE 21 3HD1 DLE 21 -6.625 -15.001 2.956 187 1HD2 DLE 21 1HD2 DLE 21 -5.365 -15.651 -0.250 188 2HD2 DLE 21 2HD2 DLE 21 -6.768 -15.345 0.759 189 3HD2 DLE 21 3HD2 DLE 21 -5.735 -16.725 1.105 190 H TRP 22 H TRP 22 -1.306 -17.603 0.338 191 HA TRP 22 HA TRP 22 1.281 -16.491 0.818 192 1HB TRP 22 2HB TRP 22 0.071 -16.967 3.114 193 2HB TRP 22 1HB TRP 22 0.653 -18.586 2.775 194 HD1 TRP 22 HD TRP 22 3.232 -19.038 2.993 195 HE1 TRP 22 1HE TRP 22 5.191 -17.630 3.917 196 HE3 TRP 22 3HE TRP 22 0.895 -14.560 3.219 197 HZ2 TRP 22 2HZ TRP 22 5.658 -14.924 4.643 198 HZ3 TRP 22 3HZ TRP 22 2.137 -12.583 4.032 199 HH2 TRP 22 HH TRP 22 4.474 -12.767 4.726 200 H DLE 23 H DLE 23 2.063 -17.330 -0.871 201 HA DLE 23 HA DLE 23 2.183 -20.247 -1.150 202 1HB DLE 23 1HB DLE 23 3.936 -18.145 -2.442 203 2HB DLE 23 2HB DLE 23 4.177 -19.882 -2.510 204 HG DLE 23 HG DLE 23 4.152 -18.553 0.163 205 1HD1 DLE 23 1HD1 DLE 23 5.614 -17.058 -0.862 206 2HD1 DLE 23 2HD1 DLE 23 6.311 -18.303 -1.897 207 3HD1 DLE 23 3HD1 DLE 23 6.680 -18.281 -0.173 208 1HD2 DLE 23 1HD2 DLE 23 6.163 -20.307 0.214 209 2HD2 DLE 23 2HD2 DLE 23 5.193 -21.033 -1.067 210 3HD2 DLE 23 3HD2 DLE 23 4.488 -20.763 0.529 211 H TRP 24 H TRP 24 2.605 -20.633 -3.776 212 HA TRP 24 HA TRP 24 0.699 -19.011 -5.272 213 1HB TRP 24 2HB TRP 24 2.086 -21.394 -6.446 214 2HB TRP 24 1HB TRP 24 1.593 -19.895 -7.223 215 HD1 TRP 24 HD TRP 24 4.242 -21.095 -4.679 216 HE1 TRP 24 1HE TRP 24 6.365 -19.679 -4.996 217 HE3 TRP 24 3HE TRP 24 2.506 -17.838 -8.202 218 HZ2 TRP 24 2HZ TRP 24 7.192 -17.465 -6.536 219 HZ3 TRP 24 3HZ TRP 24 4.025 -16.093 -9.046 220 HH2 TRP 24 HH TRP 24 6.317 -15.911 -8.226 221 1HA ETA 25 1H2 ETA 25 -1.697 -22.909 -5.585 222 2HA ETA 25 2H2 ETA 25 -1.711 -22.688 -7.352 223 1HN ETA 25 H ETA 25 -0.013 -20.902 -7.104 224 1HB ETA 25 1H1 ETA 25 -3.842 -21.891 -6.371 225 2HB ETA 25 2H1 ETA 25 -2.954 -20.788 -5.291 226 HO ETA 25 HO ETA 25 -2.439 -20.623 -8.053 227 1HA ETA 26 1H2 ETA 26 -3.488 23.875 1.055 228 2HA ETA 26 2H2 ETA 26 -1.892 23.418 0.414 229 1HN ETA 26 H ETA 26 -2.114 21.208 1.562 230 1HB ETA 26 1H1 ETA 26 -2.799 22.478 -1.462 231 2HB ETA 26 2H1 ETA 26 -4.100 21.691 -0.539 232 HO ETA 26 HO ETA 26 -4.776 23.430 -2.029 233 H TRP 27 H TRP 27 -1.694 21.216 3.793 234 HA TRP 27 HA TRP 27 -3.952 19.711 2.818 235 1HB TRP 27 2HB TRP 27 -4.686 21.775 4.838 236 2HB TRP 27 1HB TRP 27 -5.580 20.357 4.306 237 HD1 TRP 27 1HD TRP 27 -2.431 21.142 6.415 238 HE1 TRP 27 1HE TRP 27 -2.310 19.428 8.331 239 HE3 TRP 27 3HE TRP 27 -6.390 18.212 5.108 240 HZ2 TRP 27 2HZ TRP 27 -3.716 17.126 9.172 241 HZ3 TRP 27 3HZ TRP 27 -6.945 16.271 6.516 242 HH2 TRP 27 2HH TRP 27 -5.629 15.737 8.502 243 H DLE 28 H DLE 28 0.279 17.315 3.885 244 HA DLE 28 HA DLE 28 0.070 20.185 4.510 245 1HB DLE 28 1HB DLE 28 -0.805 17.838 6.196 246 2HB DLE 28 2HB DLE 28 -0.761 19.522 6.688 247 HG DLE 28 HG DLE 28 1.807 18.343 5.789 248 1HD1 DLE 28 1HD1 DLE 28 1.374 17.783 8.589 249 2HD1 DLE 28 2HD1 DLE 28 1.992 16.736 7.312 250 3HD1 DLE 28 3HD1 DLE 28 0.254 16.882 7.568 251 1HD2 DLE 28 1HD2 DLE 28 0.815 20.458 7.571 252 2HD2 DLE 28 2HD2 DLE 28 2.272 20.395 6.578 253 3HD2 DLE 28 3HD2 DLE 28 2.239 19.591 8.148 254 H TRP 29 H TRP 29 0.950 18.095 0.366 255 HA TRP 29 HA TRP 29 1.821 16.659 2.684 256 1HB TRP 29 2HB TRP 29 3.880 17.410 1.218 257 2HB TRP 29 1HB TRP 29 3.599 18.913 2.070 258 HD1 TRP 29 1HD TRP 29 4.246 18.998 4.652 259 HE1 TRP 29 1HE TRP 29 5.534 17.374 6.179 260 HE3 TRP 29 3HE TRP 29 4.187 14.928 1.647 261 HZ2 TRP 29 2HZ TRP 29 6.411 14.679 6.099 262 HZ3 TRP 29 3HZ TRP 29 5.269 12.843 2.416 263 HH2 TRP 29 2HH TRP 29 6.353 12.726 4.605 264 H DLE 30 H DLE 30 0.707 14.037 -1.161 265 HA DLE 30 HA DLE 30 0.447 16.964 -1.402 266 1HB DLE 30 1HB DLE 30 2.902 15.299 -1.866 267 2HB DLE 30 2HB DLE 30 2.739 16.996 -2.212 268 HG DLE 30 HG DLE 30 1.476 14.675 -3.705 269 1HD1 DLE 30 1HD1 DLE 30 2.845 16.218 -5.508 270 2HD1 DLE 30 2HD1 DLE 30 3.436 14.739 -4.755 271 3HD1 DLE 30 3HD1 DLE 30 3.860 16.306 -4.070 272 1HD2 DLE 30 1HD2 DLE 30 0.684 16.427 -5.346 273 2HD2 DLE 30 2HD2 DLE 30 0.940 17.628 -4.087 274 3HD2 DLE 30 3HD2 DLE 30 -0.221 16.322 -3.845 275 H TRP 31 H TRP 31 -2.142 13.961 0.842 276 HA TRP 31 HA TRP 31 -1.028 12.838 -1.549 277 1HB TRP 31 2HB TRP 31 -3.675 12.836 -1.706 278 2HB TRP 31 1HB TRP 31 -3.402 14.516 -2.184 279 HD1 TRP 31 1HD TRP 31 -1.313 14.665 -4.124 280 HE1 TRP 31 1HE TRP 31 -1.148 13.311 -6.310 281 HE3 TRP 31 3HE TRP 31 -4.246 10.740 -2.815 282 HZ2 TRP 31 2HZ TRP 31 -2.140 10.866 -7.325 283 HZ3 TRP 31 3HZ TRP 31 -4.595 8.916 -4.431 284 HH2 TRP 31 2HH TRP 31 -3.557 8.978 -6.641 285 H DLE 32 H DLE 32 -1.526 9.882 2.036 286 HA DLE 32 HA DLE 32 -2.516 12.594 2.541 287 1HB DLE 32 1HB DLE 32 -4.276 10.561 1.256 288 2HB DLE 32 2HB DLE 32 -4.719 12.083 2.001 289 HG DLE 32 HG DLE 32 -3.491 10.053 3.779 290 1HD1 DLE 32 1HD1 DLE 32 -5.936 11.162 4.708 291 2HD1 DLE 32 2HD1 DLE 32 -4.964 12.456 4.005 292 3HD1 DLE 32 3HD1 DLE 32 -4.296 11.450 5.291 293 1HD2 DLE 32 1HD2 DLE 32 -4.950 8.638 2.463 294 2HD2 DLE 32 2HD2 DLE 32 -6.290 9.762 2.698 295 3HD2 DLE 32 3HD2 DLE 32 -5.626 8.880 4.075 296 H TRP 33 H TRP 33 1.665 10.105 3.930 297 HA TRP 33 HA TRP 33 -0.847 8.742 4.204 298 1HB TRP 33 2HB TRP 33 0.776 9.262 6.042 299 2HB TRP 33 1HB TRP 33 0.327 10.937 5.852 300 HD1 TRP 33 1HD TRP 33 -1.768 11.748 7.179 301 HE1 TRP 33 1HE TRP 33 -3.572 10.570 8.594 302 HE3 TRP 33 3HE TRP 33 -0.587 6.946 6.087 303 HZ2 TRP 33 2HZ TRP 33 -4.391 7.922 9.154 304 HZ3 TRP 33 3HZ TRP 33 -1.925 5.123 7.083 305 HH2 TRP 33 2HH TRP 33 -3.787 5.607 8.589 306 1HN DVA 34 H DVA 34 2.437 6.857 1.230 307 HA DVA 34 HA DVA 34 2.617 9.774 1.389 308 HB DVA 34 HB DVA 34 3.763 9.872 3.342 309 1HG1 DVA 34 1HG1 DVA 34 2.663 8.869 5.023 310 2HG1 DVA 34 2HG1 DVA 34 3.899 7.621 4.806 311 3HG1 DVA 34 3HG1 DVA 34 2.309 7.425 4.068 312 1HG2 DVA 34 1HG2 DVA 34 5.707 8.774 3.051 313 2HG2 DVA 34 2HG2 DVA 34 4.961 8.312 1.524 314 3HG2 DVA 34 3HG2 DVA 34 4.936 7.200 2.894 315 H VAL 35 H VAL 35 1.172 7.178 -1.775 316 HA VAL 35 HA VAL 35 3.566 5.980 -0.651 317 HB VAL 35 HB VAL 35 3.509 7.554 -3.195 318 1HG1 VAL 35 1HG2 VAL 35 6.152 7.717 -2.550 319 2HG1 VAL 35 2HG2 VAL 35 5.378 8.108 -1.015 320 3HG1 VAL 35 3HG2 VAL 35 4.995 9.047 -2.460 321 1HG2 VAL 35 1HG1 VAL 35 3.851 5.110 -3.151 322 2HG2 VAL 35 2HG1 VAL 35 5.330 5.361 -2.225 323 3HG2 VAL 35 3HG1 VAL 35 5.204 5.983 -3.870 324 1HN DVA 36 H DVA 36 -0.057 2.992 -1.787 325 HA DVA 36 HA DVA 36 -0.498 5.880 -2.131 326 HB DVA 36 HB DVA 36 0.172 5.937 -4.368 327 1HG1 DVA 36 1HG1 DVA 36 1.223 4.212 -5.624 328 2HG1 DVA 36 2HG1 DVA 36 0.980 3.033 -4.340 329 3HG1 DVA 36 3HG1 DVA 36 2.111 4.365 -4.111 330 1HG2 DVA 36 1HG2 DVA 36 -1.157 3.834 -5.384 331 2HG2 DVA 36 2HG2 DVA 36 -1.955 5.255 -4.714 332 3HG2 DVA 36 3HG2 DVA 36 -1.770 3.801 -3.733 333 H ALA 37 H ALA 37 -1.049 2.842 1.033 334 HA ALA 37 HA ALA 37 -2.317 1.851 -1.423 335 1HB ALA 37 1HB ALA 37 -3.888 2.224 0.714 336 2HB ALA 37 2HB ALA 37 -4.418 2.540 -0.938 337 3HB ALA 37 3HB ALA 37 -3.868 3.869 0.080 338 1H2 SIN 38 1H2 SUC 38 0.750 0.788 1.569 339 2H2 SIN 38 2H2 SUC 38 -0.523 1.289 2.649 340 1H3 SIN 38 1H3 SUC 38 -0.662 -1.477 1.543 341 2H3 SIN 38 2H3 SUC 38 -1.191 -0.884 3.097 342 H ALA 39 H ALA 39 0.499 -3.184 2.362 343 HA ALA 39 HA ALA 39 3.119 -2.503 3.501 344 1HB ALA 39 1HB ALA 39 1.931 -4.929 4.648 345 2HB ALA 39 2HB ALA 39 1.165 -3.421 5.147 346 3HB ALA 39 3HB ALA 39 2.893 -3.660 5.409 347 1HN DVA 40 H DVA 40 3.184 -2.977 0.996 348 HA DVA 40 HA DVA 40 3.537 -5.868 0.580 349 HB DVA 40 HB DVA 40 5.680 -5.683 -0.352 350 1HG1 DVA 40 1HG1 DVA 40 5.637 -2.674 -0.251 351 2HG1 DVA 40 2HG1 DVA 40 5.186 -3.594 -1.687 352 3HG1 DVA 40 3HG1 DVA 40 6.814 -3.725 -1.032 353 1HG2 DVA 40 1HG2 DVA 40 5.303 -4.216 2.188 354 2HG2 DVA 40 2HG2 DVA 40 6.868 -4.031 1.403 355 3HG2 DVA 40 3HG2 DVA 40 6.285 -5.638 1.826 356 H VAL 41 H VAL 41 2.984 -6.662 -1.352 357 HA VAL 41 HA VAL 41 1.602 -4.875 -3.180 358 HB VAL 41 HB VAL 41 4.155 -6.282 -3.811 359 1HG1 VAL 41 1HG2 VAL 41 1.799 -6.443 -5.556 360 2HG1 VAL 41 2HG2 VAL 41 3.263 -7.428 -5.513 361 3HG1 VAL 41 3HG2 VAL 41 3.274 -5.865 -6.332 362 1HG2 VAL 41 1HG1 VAL 41 3.962 -3.829 -3.517 363 2HG2 VAL 41 2HG1 VAL 41 2.929 -3.779 -4.946 364 3HG2 VAL 41 3HG1 VAL 41 4.606 -4.308 -5.087 365 1HN DVA 42 H DVA 42 -0.171 -6.065 -2.218 366 HA DVA 42 HA DVA 42 -0.308 -8.852 -3.109 367 HB DVA 42 HB DVA 42 -2.347 -8.732 -4.085 368 1HG1 DVA 42 1HG1 DVA 42 -3.849 -6.568 -3.519 369 2HG1 DVA 42 2HG1 DVA 42 -2.989 -6.779 -1.991 370 3HG1 DVA 42 3HG1 DVA 42 -3.952 -8.110 -2.654 371 1HG2 DVA 42 1HG2 DVA 42 -0.666 -6.788 -4.938 372 2HG2 DVA 42 2HG2 DVA 42 -2.125 -5.852 -4.606 373 3HG2 DVA 42 3HG2 DVA 42 -2.186 -7.214 -5.721 374 H TRP 43 H TRP 43 -2.775 -9.459 -2.032 375 HA TRP 43 HA TRP 43 -2.780 -8.768 0.755 376 1HB TRP 43 2HB TRP 43 -4.776 -8.936 -0.766 377 2HB TRP 43 1HB TRP 43 -4.536 -10.661 -0.728 378 HD1 TRP 43 HD TRP 43 -5.671 -11.950 1.221 379 HE1 TRP 43 1HE TRP 43 -6.841 -11.260 3.411 380 HE3 TRP 43 3HE TRP 43 -4.595 -7.002 1.135 381 HZ2 TRP 43 2HZ TRP 43 -7.235 -8.896 4.916 382 HZ3 TRP 43 3HZ TRP 43 -5.383 -5.574 2.989 383 HH2 TRP 43 HH TRP 43 -6.678 -6.503 4.836 384 H DLE 44 H DLE 44 -0.541 -10.011 0.842 385 HA DLE 44 HA DLE 44 -1.002 -12.883 1.201 386 1HB DLE 44 1HB DLE 44 0.603 -11.374 3.219 387 2HB DLE 44 2HB DLE 44 -0.187 -12.933 3.376 388 HG DLE 44 HG DLE 44 -1.959 -10.599 2.927 389 1HD1 DLE 44 1HD1 DLE 44 -2.149 -13.279 3.834 390 2HD1 DLE 44 2HD1 DLE 44 -3.442 -12.110 3.566 391 3HD1 DLE 44 3HD1 DLE 44 -2.663 -12.216 5.144 392 1HD2 DLE 44 1HD2 DLE 44 -1.908 -10.035 5.345 393 2HD2 DLE 44 2HD2 DLE 44 -0.437 -9.588 4.479 394 3HD2 DLE 44 3HD2 DLE 44 -0.454 -11.024 5.503 395 H TRP 45 H TRP 45 0.611 -14.105 0.287 396 HA TRP 45 HA TRP 45 2.835 -12.660 -0.832 397 1HB TRP 45 2HB TRP 45 3.358 -13.463 1.646 398 2HB TRP 45 1HB TRP 45 3.744 -14.970 0.806 399 HD1 TRP 45 HD TRP 45 5.345 -14.420 -1.502 400 HE1 TRP 45 1HE TRP 45 7.533 -13.064 -1.555 401 HE3 TRP 45 3HE TRP 45 4.622 -11.647 2.681 402 HZ2 TRP 45 2HZ TRP 45 8.773 -11.052 -0.004 403 HZ3 TRP 45 3HZ TRP 45 6.341 -10.016 3.344 404 HH2 TRP 45 HH TRP 45 8.373 -9.722 2.021 405 H DLE 46 H DLE 46 2.797 -13.333 -2.838 406 HA DLE 46 HA DLE 46 2.728 -16.209 -3.440 407 1HB DLE 46 1HB DLE 46 3.038 -13.912 -5.350 408 2HB DLE 46 2HB DLE 46 3.360 -15.587 -5.700 409 HG DLE 46 HG DLE 46 4.990 -13.776 -3.873 410 1HD1 DLE 46 1HD1 DLE 46 6.719 -14.417 -5.760 411 2HD1 DLE 46 2HD1 DLE 46 5.615 -13.054 -5.933 412 3HD1 DLE 46 3HD1 DLE 46 5.247 -14.591 -6.712 413 1HD2 DLE 46 1HD2 DLE 46 6.679 -15.538 -3.783 414 2HD2 DLE 46 2HD2 DLE 46 5.624 -16.639 -4.656 415 3HD2 DLE 46 3HD2 DLE 46 5.181 -16.077 -3.042 416 H TRP 47 H TRP 47 0.942 -17.161 -4.144 417 HA TRP 47 HA TRP 47 -1.447 -15.582 -4.249 418 1HB TRP 47 2HB TRP 47 -0.261 -15.563 -6.598 419 2HB TRP 47 1HB TRP 47 -1.065 -17.117 -6.719 420 HD1 TRP 47 HD TRP 47 -3.688 -17.125 -7.030 421 HE1 TRP 47 1HE TRP 47 -5.409 -15.253 -7.465 422 HE3 TRP 47 3HE TRP 47 -0.743 -13.144 -5.997 423 HZ2 TRP 47 2HZ TRP 47 -5.481 -12.416 -7.365 424 HZ3 TRP 47 3HZ TRP 47 -1.683 -10.864 -6.177 425 HH2 TRP 47 HH TRP 47 -4.010 -10.515 -6.845 426 H DLE 48 H DLE 48 -2.360 -16.740 -2.831 427 HA DLE 48 HA DLE 48 -2.928 -19.562 -3.396 428 1HB DLE 48 1HB DLE 48 -4.404 -17.729 -1.502 429 2HB DLE 48 2HB DLE 48 -4.907 -19.322 -2.033 430 HG DLE 48 HG DLE 48 -4.550 -17.190 -4.091 431 1HD1 DLE 48 1HD1 DLE 48 -7.166 -17.394 -2.680 432 2HD1 DLE 48 2HD1 DLE 48 -6.499 -16.069 -3.634 433 3HD1 DLE 48 3HD1 DLE 48 -5.898 -16.374 -2.004 434 1HD2 DLE 48 1HD2 DLE 48 -5.168 -19.151 -5.108 435 2HD2 DLE 48 2HD2 DLE 48 -6.747 -18.425 -4.813 436 3HD2 DLE 48 3HD2 DLE 48 -6.142 -19.684 -3.737 437 H TRP 49 H TRP 49 -3.479 -20.584 -0.958 438 HA TRP 49 HA TRP 49 -1.389 -19.731 0.891 439 1HB TRP 49 2HB TRP 49 -3.173 -22.109 1.329 440 2HB TRP 49 1HB TRP 49 -2.428 -21.050 2.521 441 HD1 TRP 49 HD TRP 49 -5.207 -20.867 -0.171 442 HE1 TRP 49 1HE TRP 49 -7.035 -19.269 0.678 443 HE3 TRP 49 3HE TRP 49 -2.964 -19.300 4.136 444 HZ2 TRP 49 2HZ TRP 49 -7.464 -17.565 2.887 445 HZ3 TRP 49 3HZ TRP 49 -4.147 -17.686 5.566 446 HH2 TRP 49 HH TRP 49 -6.351 -16.833 4.948 447 1HA ETA 50 1H2 ETA 50 0.325 -23.984 0.139 448 2HA ETA 50 2H2 ETA 50 0.541 -24.041 1.905 449 1HN ETA 50 H ETA 50 -0.978 -22.127 2.103 450 1HB ETA 50 1H1 ETA 50 2.296 -22.484 1.876 451 2HB ETA 50 2H1 ETA 50 1.742 -21.727 0.362 452 HO ETA 50 HO ETA 50 2.455 -23.596 -0.755
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