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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 | in_recoord | in_dress | stage | position | program | type |
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4858 |
1fwp ![]() ![]() |
cing | recoord | dress | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H PRO 1 HT1 PRO 1 -11.683 7.150 -2.976 2 2H PRO 1 HT2 PRO 1 -11.477 7.366 -4.653 3 HA PRO 1 HA PRO 1 -9.281 7.548 -4.215 4 1HB PRO 1 HB2 PRO 1 -9.275 10.000 -2.732 5 2HB PRO 1 HB1 PRO 1 -9.026 9.801 -4.474 6 1HG PRO 1 HG2 PRO 1 -11.231 11.038 -3.266 7 2HG PRO 1 HG1 PRO 1 -11.135 10.497 -4.951 8 1HD PRO 1 HD2 PRO 1 -12.478 9.215 -2.638 9 2HD PRO 1 HD1 PRO 1 -12.863 9.105 -4.354 10 H ARG 2 HN ARG 2 -7.929 6.601 -2.609 11 HA ARG 2 HA ARG 2 -8.509 7.344 0.174 12 1HB ARG 2 HB2 ARG 2 -8.524 4.752 0.718 13 2HB ARG 2 HB1 ARG 2 -10.008 5.600 0.286 14 1HG ARG 2 HG2 ARG 2 -10.271 4.076 -1.342 15 2HG ARG 2 HG1 ARG 2 -8.921 4.836 -2.173 16 1HD ARG 2 HD2 ARG 2 -7.355 3.294 -1.272 17 2HD ARG 2 HD1 ARG 2 -8.482 2.769 -0.021 18 HE ARG 2 HE ARG 2 -8.432 1.824 -2.801 19 1HH1 ARG 2 HH11 ARG 2 -11.180 2.202 -2.847 20 2HH1 ARG 2 HH12 ARG 2 -11.873 0.953 -1.868 21 1HH2 ARG 2 HH21 ARG 2 -8.908 0.227 -0.226 22 2HH2 ARG 2 HH22 ARG 2 -10.588 -0.163 -0.385 23 H ARG 3 HN ARG 3 -7.050 6.250 1.718 24 HA ARG 3 HA ARG 3 -4.294 6.039 0.566 25 1HB ARG 3 HB2 ARG 3 -4.364 7.854 2.092 26 2HB ARG 3 HB1 ARG 3 -5.424 6.993 3.205 27 1HG ARG 3 HG2 ARG 3 -3.267 6.984 4.222 28 2HG ARG 3 HG1 ARG 3 -3.489 5.362 3.573 29 1HD ARG 3 HD2 ARG 3 -1.448 5.743 2.616 30 2HD ARG 3 HD1 ARG 3 -2.394 6.630 1.421 31 HE ARG 3 HE ARG 3 -1.201 8.008 3.790 32 1HH1 ARG 3 HH21 ARG 3 -3.026 9.015 1.373 33 2HH1 ARG 3 HH22 ARG 3 -1.842 9.956 0.529 34 1HH2 ARG 3 HH11 ARG 3 0.841 8.656 2.299 35 2HH2 ARG 3 HH12 ARG 3 0.347 9.754 1.054 36 H ILE 4 HN ILE 4 -2.889 4.515 1.675 37 HA ILE 4 HA ILE 4 -4.172 2.300 3.133 38 HB ILE 4 HB ILE 4 -4.380 1.184 1.131 39 1HG1 ILE 4 HG12 ILE 4 -2.222 0.338 2.521 40 2HG1 ILE 4 HG11 ILE 4 -2.763 -0.442 1.040 41 1HG2 ILE 4 HG22 ILE 4 -2.311 3.125 0.150 42 2HG2 ILE 4 HG21 ILE 4 -2.697 1.694 -0.804 43 3HG2 ILE 4 HG23 ILE 4 -3.957 2.866 -0.421 44 1HD1 ILE 4 HD12 ILE 4 -0.928 1.852 0.644 45 2HD1 ILE 4 HD11 ILE 4 -0.218 0.450 1.440 46 3HD1 ILE 4 HD13 ILE 4 -0.956 0.281 -0.151 47 H ILE 5 HN ILE 5 -2.873 2.548 4.939 48 HA ILE 5 HA ILE 5 0.031 2.994 4.416 49 HB ILE 5 HB ILE 5 -1.590 3.319 6.973 50 1HG1 ILE 5 HG12 ILE 5 -0.492 5.765 6.113 51 2HG1 ILE 5 HG11 ILE 5 -1.166 5.019 4.660 52 1HG2 ILE 5 HG22 ILE 5 0.790 2.736 7.350 53 2HG2 ILE 5 HG21 ILE 5 1.271 4.088 6.324 54 3HG2 ILE 5 HG23 ILE 5 0.436 4.391 7.848 55 1HD1 ILE 5 HD11 ILE 5 -2.688 5.257 7.270 56 2HD1 ILE 5 HD13 ILE 5 -2.807 6.439 5.967 57 3HD1 ILE 5 HD12 ILE 5 -3.329 4.776 5.700 58 H LEU 6 HN LEU 6 1.560 1.591 5.422 59 HA LEU 6 HA LEU 6 0.474 -0.822 6.787 60 1HB LEU 6 HB2 LEU 6 2.712 -1.116 4.810 61 2HB LEU 6 HB1 LEU 6 1.519 -2.309 5.329 62 HG LEU 6 HG LEU 6 -0.124 -0.481 4.193 63 1HD1 LEU 6 HD12 LEU 6 2.482 0.323 3.404 64 2HD1 LEU 6 HD11 LEU 6 1.715 -0.393 1.987 65 3HD1 LEU 6 HD13 LEU 6 0.939 0.951 2.824 66 1HD2 LEU 6 HD21 LEU 6 0.829 -3.060 3.607 67 2HD2 LEU 6 HD23 LEU 6 -0.586 -2.269 2.914 68 3HD2 LEU 6 HD22 LEU 6 0.974 -2.155 2.101 69 H SER 7 HN SER 7 1.893 -1.698 8.347 70 HA SER 7 HA SER 7 4.493 -0.270 8.653 71 1HB SER 7 HB2 SER 7 3.662 -0.737 11.254 72 2HB SER 7 HB1 SER 7 3.652 0.808 10.407 73 HG SER 7 HG SER 7 1.572 0.678 10.729 74 H ARG 8 HN ARG 8 5.721 -1.991 8.089 75 HA ARG 8 HA ARG 8 6.207 -4.031 10.062 76 1HB ARG 8 HB2 ARG 8 4.053 -4.795 8.815 77 2HB ARG 8 HB1 ARG 8 5.144 -5.159 7.478 78 1HG ARG 8 HG2 ARG 8 4.760 -7.125 8.973 79 2HG ARG 8 HG1 ARG 8 6.456 -6.646 8.895 80 1HD ARG 8 HD2 ARG 8 6.400 -5.654 11.034 81 2HD ARG 8 HD1 ARG 8 4.639 -5.558 11.040 82 HE ARG 8 HE ARG 8 4.611 -8.033 11.338 83 1HH1 ARG 8 HH11 ARG 8 7.551 -8.349 10.517 84 2HH1 ARG 8 HH12 ARG 8 8.282 -8.678 12.052 85 1HH2 ARG 8 HH21 ARG 8 5.551 -7.582 13.886 86 2HH2 ARG 8 HH22 ARG 8 7.151 -8.243 13.960 87 H LEU 9 HN LEU 9 6.601 -2.876 6.763 88 HA LEU 9 HA LEU 9 8.854 -4.443 6.019 89 1HB LEU 9 HB2 LEU 9 9.350 -2.322 4.566 90 2HB LEU 9 HB1 LEU 9 7.886 -3.257 4.247 91 HG LEU 9 HG LEU 9 7.549 -1.192 6.317 92 1HD1 LEU 9 HD11 LEU 9 8.850 -0.531 3.785 93 2HD1 LEU 9 HD13 LEU 9 7.328 0.334 3.999 94 3HD1 LEU 9 HD12 LEU 9 8.600 0.476 5.212 95 1HD2 LEU 9 HD21 LEU 9 5.802 -2.634 5.074 96 2HD2 LEU 9 HD23 LEU 9 5.452 -0.914 5.238 97 3HD2 LEU 9 HD22 LEU 9 6.061 -1.547 3.710 98 H LYS 10 HN LYS 10 10.927 -2.817 5.407 99 HA LYS 10 HA LYS 10 11.800 -1.634 8.007 100 1HB LYS 10 HB2 LYS 10 13.637 -3.138 6.131 101 2HB LYS 10 HB1 LYS 10 13.943 -2.656 7.804 102 1HG LYS 10 HG2 LYS 10 12.553 -4.320 8.679 103 2HG LYS 10 HG1 LYS 10 11.640 -4.485 7.174 104 1HD LYS 10 HD2 LYS 10 13.774 -5.369 6.111 105 2HD LYS 10 HD1 LYS 10 14.458 -5.440 7.735 106 1HE LYS 10 HE2 LYS 10 12.012 -6.672 8.071 107 2HE LYS 10 HE1 LYS 10 12.488 -7.206 6.459 108 1HZ LYS 10 HZ3 LYS 10 14.645 -7.864 7.390 109 2HZ LYS 10 HZ2 LYS 10 14.103 -7.431 8.941 110 3HZ LYS 10 HZ1 LYS 10 13.358 -8.707 8.102 111 H ALA 11 HN ALA 11 14.343 -0.831 6.983 112 HA ALA 11 HA ALA 11 13.500 1.539 5.489 113 1HB ALA 11 HB1 ALA 11 15.308 1.458 7.308 114 2HB ALA 11 HB3 ALA 11 16.346 0.715 6.091 115 3HB ALA 11 HB2 ALA 11 15.716 2.342 5.837 116 H GLY 12 HN GLY 12 12.747 0.192 3.575 117 1HA GLY 12 HA2 GLY 12 14.212 0.490 1.300 118 2HA GLY 12 HA1 GLY 12 14.876 -1.015 1.942 119 H GLU 13 HN GLU 13 11.995 -1.453 3.100 120 HA GLU 13 HA GLU 13 11.071 -2.943 0.731 121 1HB GLU 13 HB2 GLU 13 10.782 -3.183 3.587 122 2HB GLU 13 HB1 GLU 13 9.184 -3.165 2.831 123 1HG GLU 13 HG2 GLU 13 9.767 -4.994 1.376 124 2HG GLU 13 HG1 GLU 13 11.462 -4.919 1.873 125 H VAL 14 HN VAL 14 10.588 0.143 1.963 126 HA VAL 14 HA VAL 14 7.830 0.629 1.691 127 HB VAL 14 HB VAL 14 10.223 2.364 1.030 128 1HG1 VAL 14 HG11 VAL 14 7.974 2.954 -0.153 129 2HG1 VAL 14 HG13 VAL 14 7.433 3.410 1.462 130 3HG1 VAL 14 HG12 VAL 14 8.816 4.221 0.734 131 1HG2 VAL 14 HG22 VAL 14 9.448 1.480 3.436 132 2HG2 VAL 14 HG21 VAL 14 10.076 3.112 3.210 133 3HG2 VAL 14 HG23 VAL 14 8.335 2.841 3.296 134 H ASP 15 HN ASP 15 10.347 0.898 -0.839 135 HA ASP 15 HA ASP 15 8.588 1.469 -2.991 136 1HB ASP 15 HB2 ASP 15 11.052 -0.243 -3.314 137 2HB ASP 15 HB1 ASP 15 10.399 0.965 -4.421 138 H LEU 16 HN LEU 16 9.345 -1.518 -1.342 139 HA LEU 16 HA LEU 16 8.407 -3.360 -3.302 140 1HB LEU 16 HB2 LEU 16 9.288 -3.451 -0.584 141 2HB LEU 16 HB1 LEU 16 7.764 -4.332 -0.696 142 HG LEU 16 HG LEU 16 9.781 -5.758 -1.151 143 1HD1 LEU 16 HD11 LEU 16 7.330 -5.693 -2.439 144 2HD1 LEU 16 HD13 LEU 16 8.476 -5.766 -3.778 145 3HD1 LEU 16 HD12 LEU 16 8.495 -7.013 -2.531 146 1HD2 LEU 16 HD21 LEU 16 10.385 -3.523 -2.867 147 2HD2 LEU 16 HD23 LEU 16 11.395 -4.916 -2.481 148 3HD2 LEU 16 HD22 LEU 16 10.273 -4.990 -3.840 149 H LEU 17 HN LEU 17 6.710 -1.455 -0.847 150 HA LEU 17 HA LEU 17 4.166 -2.788 -1.180 151 1HB LEU 17 HB2 LEU 17 4.973 -0.088 -0.067 152 2HB LEU 17 HB1 LEU 17 3.293 -0.611 -0.132 153 HG LEU 17 HG LEU 17 4.718 -1.039 2.039 154 1HD1 LEU 17 HD11 LEU 17 2.425 -2.122 0.944 155 2HD1 LEU 17 HD13 LEU 17 3.375 -3.548 1.358 156 3HD1 LEU 17 HD12 LEU 17 2.980 -2.359 2.600 157 1HD2 LEU 17 HD21 LEU 17 5.513 -3.355 0.244 158 2HD2 LEU 17 HD23 LEU 17 6.598 -2.180 0.988 159 3HD2 LEU 17 HD22 LEU 17 5.725 -3.336 1.995 160 H GLU 18 HN GLU 18 5.067 0.544 -2.126 161 HA GLU 18 HA GLU 18 3.007 0.876 -4.032 162 1HB GLU 18 HB2 GLU 18 4.515 2.672 -4.971 163 2HB GLU 18 HB1 GLU 18 4.243 2.793 -3.232 164 1HG GLU 18 HG2 GLU 18 6.459 2.665 -2.884 165 2HG GLU 18 HG1 GLU 18 6.476 1.068 -3.632 166 H GLU 19 HN GLU 19 5.782 -1.124 -4.179 167 HA GLU 19 HA GLU 19 6.125 -1.025 -7.061 168 1HB GLU 19 HB2 GLU 19 7.274 -2.602 -4.813 169 2HB GLU 19 HB1 GLU 19 7.293 -3.360 -6.404 170 1HG GLU 19 HG2 GLU 19 8.171 -0.511 -6.219 171 2HG GLU 19 HG1 GLU 19 9.271 -1.751 -5.616 172 H GLU 20 HN GLU 20 5.050 -3.663 -4.890 173 HA GLU 20 HA GLU 20 3.935 -5.315 -6.879 174 1HB GLU 20 HB2 GLU 20 2.839 -4.894 -4.079 175 2HB GLU 20 HB1 GLU 20 2.597 -6.315 -5.096 176 1HG GLU 20 HG2 GLU 20 5.193 -5.341 -3.880 177 2HG GLU 20 HG1 GLU 20 4.361 -6.864 -3.561 178 H LEU 21 HN LEU 21 2.427 -2.675 -5.036 179 HA LEU 21 HA LEU 21 -0.139 -2.867 -6.345 180 1HB LEU 21 HB2 LEU 21 1.271 -0.727 -4.751 181 2HB LEU 21 HB1 LEU 21 -0.300 -0.422 -5.496 182 HG LEU 21 HG LEU 21 -1.377 -2.029 -4.159 183 1HD1 LEU 21 HD12 LEU 21 0.320 -3.832 -4.593 184 2HD1 LEU 21 HD11 LEU 21 1.342 -3.111 -3.349 185 3HD1 LEU 21 HD13 LEU 21 -0.230 -3.784 -2.921 186 1HD2 LEU 21 HD22 LEU 21 0.303 -0.099 -2.940 187 2HD2 LEU 21 HD21 LEU 21 -1.164 -0.815 -2.275 188 3HD2 LEU 21 HD23 LEU 21 0.403 -1.552 -1.946 189 H GLY 22 HN GLY 22 2.868 -1.189 -7.012 190 1HA GLY 22 HA2 GLY 22 1.725 0.339 -9.220 191 2HA GLY 22 HA1 GLY 22 3.426 0.313 -8.750 192 H HIS 23 HN HIS 23 2.553 -2.840 -8.804 193 HA HIS 23 HA HIS 23 3.452 -3.168 -11.634 194 1HB HIS 23 HB2 HIS 23 4.341 -4.355 -9.203 195 2HB HIS 23 HB1 HIS 23 3.541 -5.620 -10.136 196 HD1 HIS 23 HD1 HIS 23 5.878 -6.711 -10.666 197 HD2 HIS 23 HD2 HIS 23 5.404 -2.850 -12.163 198 HE1 HIS 23 HE1 HIS 23 7.754 -6.352 -12.328 199 H LEU 24 HN LEU 24 0.828 -3.518 -9.501 200 HA LEU 24 HA LEU 24 -0.531 -5.459 -11.323 201 1HB LEU 24 HB2 LEU 24 -1.471 -4.547 -8.590 202 2HB LEU 24 HB1 LEU 24 -2.023 -5.947 -9.510 203 HG LEU 24 HG LEU 24 0.881 -5.774 -8.812 204 1HD1 LEU 24 HD12 LEU 24 -1.203 -5.638 -6.849 205 2HD1 LEU 24 HD11 LEU 24 -0.475 -7.242 -6.769 206 3HD1 LEU 24 HD13 LEU 24 0.533 -5.807 -6.587 207 1HD2 LEU 24 HD23 LEU 24 -1.154 -7.796 -9.562 208 2HD2 LEU 24 HD22 LEU 24 0.568 -7.739 -9.939 209 3HD2 LEU 24 HD21 LEU 24 0.029 -8.323 -8.365 210 H THR 25 HN THR 25 -0.464 -2.241 -10.090 211 HA THR 25 HA THR 25 -2.448 -1.370 -12.032 212 HB THR 25 HB THR 25 -3.826 -2.101 -10.070 213 HG1 THR 25 HG1 THR 25 -5.072 -0.513 -10.572 214 1HG2 THR 25 HG21 THR 25 -1.977 -1.480 -8.422 215 2HG2 THR 25 HG23 THR 25 -2.526 0.187 -8.590 216 3HG2 THR 25 HG22 THR 25 -3.618 -1.044 -7.954 217 H THR 26 HN THR 26 -2.832 1.226 -11.225 218 HA THR 26 HA THR 26 -0.022 2.228 -10.977 219 HB THR 26 HB THR 26 -1.002 4.340 -12.002 220 HG1 THR 26 HG1 THR 26 -3.024 3.491 -13.250 221 1HG2 THR 26 HG23 THR 26 -0.340 1.820 -13.218 222 2HG2 THR 26 HG22 THR 26 -1.583 2.620 -14.179 223 3HG2 THR 26 HG21 THR 26 -0.064 3.448 -13.837 224 H LEU 27 HN LEU 27 0.391 2.673 -9.016 225 HA LEU 27 HA LEU 27 -1.386 3.350 -6.938 226 1HB LEU 27 HB2 LEU 27 1.528 3.585 -7.485 227 2HB LEU 27 HB1 LEU 27 0.880 4.501 -6.146 228 HG LEU 27 HG LEU 27 -0.078 1.724 -6.296 229 1HD1 LEU 27 HD13 LEU 27 2.321 1.615 -7.067 230 2HD1 LEU 27 HD12 LEU 27 2.778 2.299 -5.507 231 3HD1 LEU 27 HD11 LEU 27 1.986 0.726 -5.584 232 1HD2 LEU 27 HD21 LEU 27 0.505 3.797 -4.323 233 2HD2 LEU 27 HD23 LEU 27 -0.583 2.409 -4.202 234 3HD2 LEU 27 HD22 LEU 27 1.147 2.217 -3.833 235 H THR 28 HN THR 28 -0.343 5.793 -5.896 236 HA THR 28 HA THR 28 -1.066 7.765 -7.992 237 HB THR 28 HB THR 28 -2.455 7.230 -5.424 238 HG1 THR 28 HG1 THR 28 -3.577 6.618 -7.155 239 1HG2 THR 28 HG21 THR 28 -2.014 9.942 -6.644 240 2HG2 THR 28 HG23 THR 28 -3.475 9.588 -5.721 241 3HG2 THR 28 HG22 THR 28 -1.893 9.465 -4.951 242 H ASP 29 HN ASP 29 0.252 7.322 -4.670 243 HA ASP 29 HA ASP 29 2.433 9.115 -5.212 244 1HB ASP 29 HB2 ASP 29 -0.030 10.364 -4.478 245 2HB ASP 29 HB1 ASP 29 1.090 10.513 -3.121 246 H VAL 30 HN VAL 30 2.683 6.719 -4.252 247 HA VAL 30 HA VAL 30 2.244 6.334 -1.485 248 HB VAL 30 HB VAL 30 3.423 4.373 -1.706 249 1HG1 VAL 30 HG11 VAL 30 1.789 5.040 -3.766 250 2HG1 VAL 30 HG13 VAL 30 3.268 4.637 -4.639 251 3HG1 VAL 30 HG12 VAL 30 2.522 3.447 -3.572 252 1HG2 VAL 30 HG21 VAL 30 5.340 6.077 -3.128 253 2HG2 VAL 30 HG23 VAL 30 5.635 4.631 -2.162 254 3HG2 VAL 30 HG22 VAL 30 5.172 4.481 -3.857 255 H VAL 31 HN VAL 31 3.722 6.372 0.291 256 HA VAL 31 HA VAL 31 5.967 8.307 -0.068 257 HB VAL 31 HB VAL 31 3.658 8.753 1.425 258 1HG1 VAL 31 HG12 VAL 31 4.623 7.027 3.070 259 2HG1 VAL 31 HG11 VAL 31 5.870 8.224 3.418 260 3HG1 VAL 31 HG13 VAL 31 4.176 8.595 3.740 261 1HG2 VAL 31 HG21 VAL 31 5.528 10.304 0.565 262 2HG2 VAL 31 HG23 VAL 31 4.756 10.749 2.087 263 3HG2 VAL 31 HG22 VAL 31 6.340 9.972 2.096 264 H LYS 32 HN LYS 32 7.740 8.000 1.446 265 HA LYS 32 HA LYS 32 7.999 5.125 2.151 266 1HB LYS 32 HB2 LYS 32 10.421 5.473 1.899 267 2HB LYS 32 HB1 LYS 32 9.548 5.967 0.446 268 1HG LYS 32 HG2 LYS 32 10.843 7.839 0.678 269 2HG LYS 32 HG1 LYS 32 9.531 8.313 1.762 270 1HD LYS 32 HD2 LYS 32 11.550 6.647 3.077 271 2HD LYS 32 HD1 LYS 32 12.203 8.167 2.460 272 1HE LYS 32 HE2 LYS 32 9.748 8.877 3.568 273 2HE LYS 32 HE1 LYS 32 10.412 7.710 4.706 274 1HZ LYS 32 HZ2 LYS 32 12.570 9.165 4.211 275 2HZ LYS 32 HZ1 LYS 32 11.378 10.355 3.988 276 3HZ LYS 32 HZ3 LYS 32 11.482 9.527 5.465 277 H GLY 33 HN GLY 33 9.352 4.625 4.047 278 1HA GLY 33 HA2 GLY 33 9.882 6.599 6.074 279 2HA GLY 33 HA1 GLY 33 8.403 5.703 6.435 280 H ALA 34 HN ALA 34 10.414 5.357 8.226 281 HA ALA 34 HA ALA 34 12.422 3.477 7.796 282 1HB ALA 34 HB2 ALA 34 10.569 3.824 10.163 283 2HB ALA 34 HB1 ALA 34 11.932 2.705 10.181 284 3HB ALA 34 HB3 ALA 34 12.214 4.434 9.979 285 H ASP 35 HN ASP 35 9.163 2.596 8.988 286 HA ASP 35 HA ASP 35 9.251 0.174 7.257 287 1HB ASP 35 HB2 ASP 35 8.266 -1.080 9.291 288 2HB ASP 35 HB1 ASP 35 10.000 -0.758 9.301 289 H SER 36 HN SER 36 7.720 2.890 7.783 290 HA SER 36 HA SER 36 5.003 1.664 7.584 291 1HB SER 36 HB2 SER 36 4.724 2.932 9.485 292 2HB SER 36 HB1 SER 36 6.007 4.055 9.048 293 HG SER 36 HG SER 36 3.934 5.005 8.869 294 H LEU 37 HN LEU 37 4.709 1.613 5.361 295 HA LEU 37 HA LEU 37 5.404 4.072 3.825 296 1HB LEU 37 HB2 LEU 37 6.296 2.126 2.771 297 2HB LEU 37 HB1 LEU 37 4.796 1.225 3.000 298 HG LEU 37 HG LEU 37 4.606 3.764 1.456 299 1HD1 LEU 37 HD13 LEU 37 6.500 1.706 0.773 300 2HD1 LEU 37 HD12 LEU 37 5.202 1.727 -0.421 301 3HD1 LEU 37 HD11 LEU 37 6.126 3.193 -0.098 302 1HD2 LEU 37 HD21 LEU 37 2.874 1.772 2.061 303 2HD2 LEU 37 HD23 LEU 37 2.732 2.755 0.604 304 3HD2 LEU 37 HD22 LEU 37 3.497 1.168 0.526 305 H SER 38 HN SER 38 3.793 5.350 2.961 306 HA SER 38 HA SER 38 0.987 4.371 3.370 307 1HB SER 38 HB2 SER 38 0.518 6.926 3.211 308 2HB SER 38 HB1 SER 38 1.113 6.235 4.707 309 HG SER 38 HG SER 38 2.499 7.848 4.390 310 H ALA 39 HN ALA 39 0.261 3.697 1.479 311 HA ALA 39 HA ALA 39 1.143 5.062 -1.000 312 1HB ALA 39 HB1 ALA 39 0.970 2.430 -0.541 313 2HB ALA 39 HB3 ALA 39 -0.671 2.711 -1.122 314 3HB ALA 39 HB2 ALA 39 0.708 3.122 -2.143 315 H ILE 40 HN ILE 40 -0.432 5.739 -2.582 316 HA ILE 40 HA ILE 40 -3.008 6.511 -1.282 317 HB ILE 40 HB ILE 40 -1.510 7.687 -3.645 318 1HG1 ILE 40 HG12 ILE 40 -1.461 9.699 -2.202 319 2HG1 ILE 40 HG11 ILE 40 -2.318 8.813 -0.940 320 1HG2 ILE 40 HG22 ILE 40 -4.315 8.110 -2.625 321 2HG2 ILE 40 HG21 ILE 40 -3.449 9.417 -3.434 322 3HG2 ILE 40 HG23 ILE 40 -3.766 7.907 -4.288 323 1HD1 ILE 40 HD11 ILE 40 0.215 7.650 -2.045 324 2HD1 ILE 40 HD13 ILE 40 0.325 8.982 -0.894 325 3HD1 ILE 40 HD12 ILE 40 -0.481 7.483 -0.434 326 H LEU 41 HN LEU 41 -4.341 4.796 -1.707 327 HA LEU 41 HA LEU 41 -4.488 3.820 -4.517 328 1HB LEU 41 HB2 LEU 41 -5.065 2.549 -1.862 329 2HB LEU 41 HB1 LEU 41 -5.872 1.953 -3.312 330 HG LEU 41 HG LEU 41 -2.868 2.256 -3.025 331 1HD1 LEU 41 HD12 LEU 41 -3.870 0.481 -1.575 332 2HD1 LEU 41 HD11 LEU 41 -4.568 -0.247 -3.022 333 3HD1 LEU 41 HD13 LEU 41 -2.818 -0.163 -2.834 334 1HD2 LEU 41 HD22 LEU 41 -4.666 1.081 -5.158 335 2HD2 LEU 41 HD21 LEU 41 -3.549 2.435 -5.332 336 3HD2 LEU 41 HD23 LEU 41 -2.923 0.803 -5.095 337 HA PRO 42 HA PRO 42 -8.281 6.045 -4.563 338 1HB PRO 42 HB2 PRO 42 -9.043 5.232 -7.065 339 2HB PRO 42 HB1 PRO 42 -7.935 6.542 -6.709 340 1HG PRO 42 HG2 PRO 42 -7.352 3.816 -7.749 341 2HG PRO 42 HG1 PRO 42 -6.387 5.292 -7.926 342 1HD PRO 42 HD2 PRO 42 -5.857 3.170 -6.107 343 2HD PRO 42 HD1 PRO 42 -5.104 4.771 -6.091 344 H GLY 43 HN GLY 43 -10.448 5.395 -5.927 345 1HA GLY 43 HA2 GLY 43 -11.369 2.982 -4.530 346 2HA GLY 43 HA1 GLY 43 -12.400 4.333 -4.996 347 H ASP 44 HN ASP 44 -10.008 3.226 -7.225 348 HA ASP 44 HA ASP 44 -11.925 1.536 -8.677 349 1HB ASP 44 HB2 ASP 44 -11.272 2.875 -10.808 350 2HB ASP 44 HB1 ASP 44 -12.487 3.570 -9.735 351 H ILE 45 HN ILE 45 -9.470 0.996 -7.265 352 HA ILE 45 HA ILE 45 -7.701 0.220 -9.545 353 HB ILE 45 HB ILE 45 -7.008 1.930 -7.588 354 1HG1 ILE 45 HG12 ILE 45 -5.266 -0.271 -8.719 355 2HG1 ILE 45 HG11 ILE 45 -5.496 1.355 -9.367 356 1HG2 ILE 45 HG23 ILE 45 -7.449 -0.335 -6.068 357 2HG2 ILE 45 HG22 ILE 45 -5.709 -0.359 -6.299 358 3HG2 ILE 45 HG21 ILE 45 -6.487 1.053 -5.577 359 1HD1 ILE 45 HD11 ILE 45 -4.709 2.051 -6.920 360 2HD1 ILE 45 HD13 ILE 45 -3.931 0.474 -6.974 361 3HD1 ILE 45 HD12 ILE 45 -3.534 1.695 -8.184 362 H ALA 46 HN ALA 46 -6.201 -1.507 -7.776 363 HA ALA 46 HA ALA 46 -8.149 -3.719 -7.535 364 1HB ALA 46 HB2 ALA 46 -5.545 -3.682 -8.474 365 2HB ALA 46 HB1 ALA 46 -5.336 -4.232 -6.812 366 3HB ALA 46 HB3 ALA 46 -6.387 -5.126 -7.911 367 H GLU 47 HN GLU 47 -8.612 -1.717 -5.806 368 HA GLU 47 HA GLU 47 -7.280 -1.415 -3.421 369 1HB GLU 47 HB2 GLU 47 -10.242 -1.871 -3.506 370 2HB GLU 47 HB1 GLU 47 -9.345 -0.816 -2.429 371 1HG GLU 47 HG2 GLU 47 -9.935 0.824 -3.881 372 2HG GLU 47 HG1 GLU 47 -8.600 0.202 -4.842 373 H ASP 48 HN ASP 48 -9.790 -3.854 -3.976 374 HA ASP 48 HA ASP 48 -9.332 -5.303 -1.571 375 1HB ASP 48 HB2 ASP 48 -10.298 -6.572 -4.092 376 2HB ASP 48 HB1 ASP 48 -10.817 -6.870 -2.442 377 H ASP 49 HN ASP 49 -7.771 -5.304 -4.654 378 HA ASP 49 HA ASP 49 -6.427 -7.865 -4.332 379 1HB ASP 49 HB2 ASP 49 -6.880 -6.103 -6.424 380 2HB ASP 49 HB1 ASP 49 -5.146 -5.951 -6.131 381 H ILE 50 HN ILE 50 -5.889 -4.630 -3.264 382 HA ILE 50 HA ILE 50 -3.018 -5.057 -2.817 383 HB ILE 50 HB ILE 50 -4.767 -2.788 -1.829 384 1HG1 ILE 50 HG12 ILE 50 -5.034 -2.599 -4.154 385 2HG1 ILE 50 HG11 ILE 50 -3.600 -1.617 -3.871 386 1HG2 ILE 50 HG23 ILE 50 -2.485 -3.157 -0.809 387 2HG2 ILE 50 HG22 ILE 50 -1.802 -2.854 -2.407 388 3HG2 ILE 50 HG21 ILE 50 -2.706 -1.587 -1.580 389 1HD1 ILE 50 HD12 ILE 50 -2.235 -3.733 -4.336 390 2HD1 ILE 50 HD11 ILE 50 -3.731 -4.437 -4.948 391 3HD1 ILE 50 HD13 ILE 50 -3.049 -3.007 -5.723 392 H THR 51 HN THR 51 -5.895 -4.358 -0.839 393 HA THR 51 HA THR 51 -4.881 -4.769 1.710 394 HB THR 51 HB THR 51 -7.535 -5.467 0.444 395 HG1 THR 51 HG1 THR 51 -6.639 -3.281 1.139 396 1HG2 THR 51 HG22 THR 51 -6.498 -6.252 3.130 397 2HG2 THR 51 HG21 THR 51 -8.144 -5.623 3.059 398 3HG2 THR 51 HG23 THR 51 -7.702 -7.044 2.113 399 H ALA 52 HN ALA 52 -5.585 -7.106 -0.801 400 HA ALA 52 HA ALA 52 -5.059 -9.402 0.936 401 1HB ALA 52 HB2 ALA 52 -5.864 -9.004 -1.929 402 2HB ALA 52 HB1 ALA 52 -5.221 -10.565 -1.412 403 3HB ALA 52 HB3 ALA 52 -6.681 -9.922 -0.661 404 H VAL 53 HN VAL 53 -3.461 -7.630 -1.686 405 HA VAL 53 HA VAL 53 -1.204 -9.476 -1.790 406 HB VAL 53 HB VAL 53 -2.028 -6.968 -3.159 407 1HG1 VAL 53 HG13 VAL 53 0.867 -7.725 -2.728 408 2HG1 VAL 53 HG12 VAL 53 0.343 -6.808 -4.139 409 3HG1 VAL 53 HG11 VAL 53 0.112 -6.145 -2.522 410 1HG2 VAL 53 HG23 VAL 53 -2.234 -9.371 -3.987 411 2HG2 VAL 53 HG22 VAL 53 -1.477 -8.232 -5.101 412 3HG2 VAL 53 HG21 VAL 53 -0.480 -9.351 -4.171 413 H LEU 54 HN LEU 54 -1.259 -5.992 -1.050 414 HA LEU 54 HA LEU 54 1.193 -5.697 0.098 415 1HB LEU 54 HB2 LEU 54 -1.454 -4.517 0.932 416 2HB LEU 54 HB1 LEU 54 0.037 -4.079 1.756 417 HG LEU 54 HG LEU 54 -0.634 -3.692 -1.132 418 1HD1 LEU 54 HD13 LEU 54 -0.955 -2.085 1.113 419 2HD1 LEU 54 HD12 LEU 54 0.524 -1.482 0.367 420 3HD1 LEU 54 HD11 LEU 54 -0.974 -1.535 -0.559 421 1HD2 LEU 54 HD22 LEU 54 1.977 -3.980 0.198 422 2HD2 LEU 54 HD21 LEU 54 1.569 -4.127 -1.511 423 3HD2 LEU 54 HD23 LEU 54 1.820 -2.533 -0.798 424 H CYS 55 HN CYS 55 -1.670 -6.950 1.844 425 HA CYS 55 HA CYS 55 -0.306 -7.257 4.339 426 1HB CYS 55 HB2 CYS 55 -2.154 -8.734 4.965 427 2HB CYS 55 HB1 CYS 55 -2.786 -7.343 4.078 428 HG CYS 55 HG CYS 55 -3.699 -9.756 3.176 429 H PHE 56 HN PHE 56 -0.711 -9.533 1.609 430 HA PHE 56 HA PHE 56 0.749 -11.570 3.045 431 1HB PHE 56 HB2 PHE 56 -0.740 -11.415 0.588 432 2HB PHE 56 HB1 PHE 56 0.828 -12.157 0.280 433 HD1 PHE 56 HD2 PHE 56 1.580 -13.876 2.226 434 HD2 PHE 56 HD1 PHE 56 -2.467 -12.832 1.232 435 HE1 PHE 56 HE2 PHE 56 0.783 -15.986 3.256 436 HE2 PHE 56 HE1 PHE 56 -3.264 -14.943 2.262 437 HZ PHE 56 HZ PHE 56 -1.639 -16.519 3.274 438 H VAL 57 HN VAL 57 1.710 -8.732 1.865 439 HA VAL 57 HA VAL 57 4.337 -9.737 0.926 440 HB VAL 57 HB VAL 57 3.113 -6.964 0.718 441 1HG1 VAL 57 HG12 VAL 57 5.812 -8.009 0.328 442 2HG1 VAL 57 HG11 VAL 57 5.185 -7.228 -1.124 443 3HG1 VAL 57 HG13 VAL 57 5.258 -6.336 0.396 444 1HG2 VAL 57 HG23 VAL 57 2.810 -9.355 -0.880 445 2HG2 VAL 57 HG22 VAL 57 2.038 -7.783 -1.085 446 3HG2 VAL 57 HG21 VAL 57 3.608 -8.096 -1.824 447 H ILE 58 HN ILE 58 2.701 -8.678 3.629 448 HA ILE 58 HA ILE 58 5.252 -8.036 4.985 449 HB ILE 58 HB ILE 58 3.374 -6.289 6.160 450 1HG1 ILE 58 HG12 ILE 58 3.245 -6.297 3.141 451 2HG1 ILE 58 HG11 ILE 58 1.917 -6.213 4.296 452 1HG2 ILE 58 HG23 ILE 58 5.925 -6.165 5.697 453 2HG2 ILE 58 HG22 ILE 58 5.454 -5.438 4.160 454 3HG2 ILE 58 HG21 ILE 58 4.997 -4.666 5.679 455 1HD1 ILE 58 HD13 ILE 58 3.992 -4.033 3.903 456 2HD1 ILE 58 HD12 ILE 58 2.379 -4.017 3.193 457 3HD1 ILE 58 HD11 ILE 58 2.571 -3.951 4.945 458 H GLU 59 HN GLU 59 1.703 -8.256 5.623 459 HA GLU 59 HA GLU 59 1.979 -10.541 7.316 460 1HB GLU 59 HB2 GLU 59 1.664 -9.532 9.487 461 2HB GLU 59 HB1 GLU 59 3.098 -8.824 8.750 462 1HG GLU 59 HG2 GLU 59 2.040 -6.789 8.328 463 2HG GLU 59 HG1 GLU 59 0.429 -7.506 8.363 464 H ALA 60 HN ALA 60 -0.159 -9.495 9.114 465 HA ALA 60 HA ALA 60 -2.390 -9.019 7.226 466 1HB ALA 60 HB2 ALA 60 -1.904 -11.575 7.735 467 2HB ALA 60 HB1 ALA 60 -2.748 -11.208 9.241 468 3HB ALA 60 HB3 ALA 60 -3.561 -10.971 7.694 469 H ASP 61 HN ASP 61 -1.102 -7.482 9.409 470 HA ASP 61 HA ASP 61 -3.561 -6.791 10.844 471 1HB ASP 61 HB2 ASP 61 -2.009 -8.688 12.032 472 2HB ASP 61 HB1 ASP 61 -1.336 -7.207 12.710 473 H GLN 62 HN GLN 62 -1.146 -5.682 9.127 474 HA GLN 62 HA GLN 62 -0.881 -3.209 10.763 475 1HB GLN 62 HB2 GLN 62 1.219 -4.923 9.637 476 2HB GLN 62 HB1 GLN 62 1.420 -3.210 9.298 477 1HG GLN 62 HG2 GLN 62 2.482 -4.042 11.467 478 2HG GLN 62 HG1 GLN 62 1.407 -2.652 11.623 479 1HE2 GLN 62 HE22 GLN 62 -0.574 -4.350 13.972 480 2HE2 GLN 62 HE21 GLN 62 0.100 -2.888 13.435 481 H ILE 63 HN ILE 63 -2.403 -4.339 8.253 482 HA ILE 63 HA ILE 63 -1.686 -2.091 6.422 483 HB ILE 63 HB ILE 63 -2.438 -4.910 5.993 484 1HG1 ILE 63 HG12 ILE 63 -1.453 -3.715 3.656 485 2HG1 ILE 63 HG11 ILE 63 -0.647 -2.871 4.980 486 1HG2 ILE 63 HG23 ILE 63 -3.911 -2.698 4.601 487 2HG2 ILE 63 HG22 ILE 63 -3.445 -4.126 3.675 488 3HG2 ILE 63 HG21 ILE 63 -4.487 -4.294 5.088 489 1HD1 ILE 63 HD11 ILE 63 -0.808 -5.776 5.371 490 2HD1 ILE 63 HD13 ILE 63 0.131 -5.308 3.951 491 3HD1 ILE 63 HD12 ILE 63 0.573 -4.693 5.546 492 H THR 64 HN THR 64 -3.290 -0.632 5.843 493 HA THR 64 HA THR 64 -6.106 -1.163 6.439 494 HB THR 64 HB THR 64 -4.818 1.155 7.888 495 HG1 THR 64 HG1 THR 64 -4.789 -0.157 9.703 496 1HG2 THR 64 HG22 THR 64 -7.451 0.504 7.341 497 2HG2 THR 64 HG21 THR 64 -7.217 -0.131 8.970 498 3HG2 THR 64 HG23 THR 64 -6.910 1.573 8.635 499 H PHE 65 HN PHE 65 -7.434 0.207 5.219 500 HA PHE 65 HA PHE 65 -5.978 2.187 3.524 501 1HB PHE 65 HB2 PHE 65 -8.426 0.495 3.036 502 2HB PHE 65 HB1 PHE 65 -8.127 1.945 2.079 503 HD1 PHE 65 HD2 PHE 65 -5.785 -0.640 3.470 504 HD2 PHE 65 HD1 PHE 65 -7.363 1.265 -0.049 505 HE1 PHE 65 HE2 PHE 65 -4.194 -1.909 2.060 506 HE2 PHE 65 HE1 PHE 65 -5.774 -0.007 -1.453 507 HZ PHE 65 HZ PHE 65 -4.189 -1.593 -0.396 508 H GLU 66 HN GLU 66 -6.270 4.226 4.242 509 HA GLU 66 HA GLU 66 -8.829 4.921 5.616 510 1HB GLU 66 HB2 GLU 66 -6.213 5.292 6.408 511 2HB GLU 66 HB1 GLU 66 -6.609 6.857 5.694 512 1HG GLU 66 HG2 GLU 66 -7.141 6.711 8.143 513 2HG GLU 66 HG1 GLU 66 -8.545 7.089 7.143 514 H THR 67 HN THR 67 -10.185 5.632 3.928 515 HA THR 67 HA THR 67 -9.547 6.840 1.542 516 HB THR 67 HB THR 67 -11.874 6.387 2.152 517 HG1 THR 67 HG1 THR 67 -11.841 7.849 0.550 518 1HG2 THR 67 HG23 THR 67 -11.397 7.358 4.549 519 2HG2 THR 67 HG22 THR 67 -11.920 8.879 3.824 520 3HG2 THR 67 HG21 THR 67 -13.013 7.495 3.857 521 H VAL 68 HN VAL 68 -9.134 8.984 0.819 522 HA VAL 68 HA VAL 68 -8.541 10.958 2.931 523 HB VAL 68 HB VAL 68 -6.421 11.547 1.765 524 1HG1 VAL 68 HG12 VAL 68 -6.523 9.902 3.684 525 2HG1 VAL 68 HG11 VAL 68 -6.524 8.606 2.488 526 3HG1 VAL 68 HG13 VAL 68 -5.137 9.688 2.615 527 1HG2 VAL 68 HG23 VAL 68 -7.101 10.663 -0.462 528 2HG2 VAL 68 HG22 VAL 68 -5.543 10.019 0.057 529 3HG2 VAL 68 HG21 VAL 68 -6.994 9.023 0.177 530 H GLU 69 HN GLU 69 -10.793 10.842 1.237 531 HA GLU 69 HA GLU 69 -10.772 12.129 -1.194 532 1HB GLU 69 HB2 GLU 69 -12.880 11.468 -0.269 533 2HB GLU 69 HB1 GLU 69 -12.663 12.514 1.139 534 1HG GLU 69 HG2 GLU 69 -12.711 14.497 -0.367 535 2HG GLU 69 HG1 GLU 69 -13.026 13.425 -1.732 No H/Q in entry = 535
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