NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10081 | 1p7e | cing | 1-original | 11 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H MET 1 HT1 MET 1 -2.413 -14.178 -5.449 2 2H MET 1 HT2 MET 1 -0.813 -14.502 -5.921 3 3H MET 1 HT3 MET 1 -1.403 -12.909 -5.945 4 HA MET 1 HA MET 1 -1.180 -14.544 -3.517 5 1HB MET 1 HB2 MET 1 0.947 -13.566 -4.990 6 2HB MET 1 HB1 MET 1 0.660 -12.271 -3.831 7 1HG MET 1 HG2 MET 1 1.038 -15.199 -3.130 8 2HG MET 1 HG1 MET 1 2.258 -13.939 -2.947 9 1HE MET 1 HE1 MET 1 2.231 -15.178 -0.531 10 2HE MET 1 HE2 MET 1 0.717 -16.042 -0.797 11 3HE MET 1 HE3 MET 1 0.916 -15.032 0.635 12 H GLN 2 HN GLN 2 -1.744 -13.430 -1.655 13 HA GLN 2 HA GLN 2 -3.315 -10.990 -2.078 14 1HB GLN 2 HB2 GLN 2 -3.349 -11.564 0.657 15 2HB GLN 2 HB1 GLN 2 -4.589 -12.026 -0.505 16 1HG GLN 2 HG2 GLN 2 -3.338 -14.137 -0.951 17 2HG GLN 2 HG1 GLN 2 -2.181 -13.683 0.302 18 1HE2 GLN 2 HE21 GLN 2 -3.052 -13.497 2.559 19 2HE2 GLN 2 HE22 GLN 2 -4.442 -14.370 2.991 20 H TYR 3 HN TYR 3 -2.525 -9.066 -1.626 21 HA TYR 3 HA TYR 3 0.055 -8.855 -0.145 22 1HB TYR 3 HB2 TYR 3 -1.036 -7.064 -2.342 23 2HB TYR 3 HB1 TYR 3 0.391 -6.706 -1.376 24 HD1 TYR 3 HD1 TYR 3 -1.043 -8.929 -3.950 25 HD2 TYR 3 HD2 TYR 3 2.489 -7.882 -1.735 26 HE1 TYR 3 HE1 TYR 3 0.340 -10.255 -5.527 27 HE2 TYR 3 HE2 TYR 3 3.870 -9.215 -3.307 28 HH TYR 3 HH TYR 3 3.558 -11.102 -4.883 29 H LYS 4 HN LYS 4 0.187 -7.151 1.379 30 HA LYS 4 HA LYS 4 -2.416 -6.092 2.203 31 1HB LYS 4 HB2 LYS 4 -1.520 -7.767 3.738 32 2HB LYS 4 HB1 LYS 4 0.008 -6.905 3.827 33 1HG LYS 4 HG2 LYS 4 -1.045 -5.024 4.931 34 2HG LYS 4 HG1 LYS 4 -2.644 -5.736 4.706 35 1HD LYS 4 HD2 LYS 4 -0.456 -7.183 6.209 36 2HD LYS 4 HD1 LYS 4 -1.544 -6.054 7.013 37 1HE LYS 4 HE2 LYS 4 -3.486 -7.374 6.239 38 2HE LYS 4 HE1 LYS 4 -2.396 -8.519 5.458 39 1HZ LYS 4 HZ1 LYS 4 -3.140 -9.205 7.699 40 2HZ LYS 4 HZ2 LYS 4 -2.315 -7.870 8.349 41 3HZ LYS 4 HZ3 LYS 4 -1.454 -9.095 7.547 42 H LEU 5 HN LEU 5 -2.484 -3.965 2.777 43 HA LEU 5 HA LEU 5 -0.010 -2.340 2.544 44 1HB LEU 5 HB2 LEU 5 -1.562 -1.772 0.727 45 2HB LEU 5 HB1 LEU 5 -2.873 -1.572 1.882 46 HG LEU 5 HG LEU 5 -1.561 0.275 2.965 47 1HD1 LEU 5 HD11 LEU 5 0.243 1.273 1.404 48 2HD1 LEU 5 HD12 LEU 5 0.303 -0.331 0.673 49 3HD1 LEU 5 HD13 LEU 5 0.691 -0.125 2.381 50 1HD2 LEU 5 HD21 LEU 5 -2.019 0.726 0.006 51 2HD2 LEU 5 HD22 LEU 5 -2.123 1.924 1.296 52 3HD2 LEU 5 HD23 LEU 5 -3.322 0.635 1.190 53 H VAL 6 HN VAL 6 0.555 -1.435 4.434 54 HA VAL 6 HA VAL 6 -1.404 -1.115 6.595 55 HB VAL 6 HB VAL 6 1.643 -1.279 6.585 56 1HG1 VAL 6 HG11 VAL 6 -0.303 -0.782 8.832 57 2HG1 VAL 6 HG12 VAL 6 1.083 0.196 8.351 58 3HG1 VAL 6 HG13 VAL 6 1.335 -1.375 9.112 59 1HG2 VAL 6 HG21 VAL 6 -0.244 -3.202 7.938 60 2HG2 VAL 6 HG22 VAL 6 1.461 -3.425 7.553 61 3HG2 VAL 6 HG23 VAL 6 0.259 -3.424 6.263 62 H ILE 7 HN ILE 7 -2.049 0.924 6.874 63 HA ILE 7 HA ILE 7 -0.520 3.059 5.551 64 HB ILE 7 HB ILE 7 -3.424 3.161 6.396 65 1HG1 ILE 7 HG12 ILE 7 -2.798 2.962 3.512 66 2HG1 ILE 7 HG11 ILE 7 -2.448 1.500 4.428 67 1HG2 ILE 7 HG21 ILE 7 -1.754 4.861 4.523 68 2HG2 ILE 7 HG22 ILE 7 -2.342 5.337 6.116 69 3HG2 ILE 7 HG23 ILE 7 -3.483 5.059 4.801 70 1HD1 ILE 7 HD1 ILE 7 -4.754 1.450 3.592 71 2HD1 ILE 7 HD2 ILE 7 -5.094 2.975 4.412 72 3HD1 ILE 7 HD3 ILE 7 -4.738 1.526 5.353 73 H ASN 8 HN ASN 8 0.576 4.259 6.884 74 HA ASN 8 HA ASN 8 -0.517 4.789 9.580 75 1HB ASN 8 HB2 ASN 8 2.364 4.702 8.657 76 2HB ASN 8 HB1 ASN 8 1.862 5.352 10.216 77 1HD2 ASN 8 HD21 ASN 8 -0.082 3.545 11.039 78 2HD2 ASN 8 HD22 ASN 8 0.589 1.995 11.202 79 H GLY 9 HN GLY 9 -1.801 6.446 8.378 80 1HA GLY 9 HA2 GLY 9 -0.335 8.680 7.229 81 2HA GLY 9 HA1 GLY 9 -2.063 8.382 7.133 82 H LYS 10 HN LYS 10 -1.277 10.849 7.745 83 HA LYS 10 HA LYS 10 -0.927 11.498 10.476 84 1HB LYS 10 HB2 LYS 10 -2.051 12.970 8.105 85 2HB LYS 10 HB1 LYS 10 -2.055 13.700 9.702 86 1HG LYS 10 HG2 LYS 10 0.228 13.985 9.741 87 2HG LYS 10 HG1 LYS 10 0.532 12.559 8.754 88 1HD LYS 10 HD2 LYS 10 0.746 13.880 6.941 89 2HD LYS 10 HD1 LYS 10 -0.926 14.383 7.116 90 1HE LYS 10 HE2 LYS 10 -0.181 16.161 8.702 91 2HE LYS 10 HE1 LYS 10 1.490 15.692 8.387 92 1HZ LYS 10 HZ1 LYS 10 1.292 17.244 6.783 93 2HZ LYS 10 HZ2 LYS 10 -0.398 17.099 6.678 94 3HZ LYS 10 HZ3 LYS 10 0.604 15.965 5.906 95 H THR 11 HN THR 11 -3.705 11.031 8.420 96 HA THR 11 HA THR 11 -5.475 11.377 10.733 97 HB THR 11 HB THR 11 -5.304 12.831 8.280 98 HG1 THR 11 HG1 THR 11 -5.739 14.135 9.783 99 1HG2 THR 11 HG21 THR 11 -6.969 11.416 7.277 100 2HG2 THR 11 HG22 THR 11 -7.713 12.958 7.701 101 3HG2 THR 11 HG23 THR 11 -7.995 11.536 8.706 102 H LEU 12 HN LEU 12 -4.740 9.394 7.892 103 HA LEU 12 HA LEU 12 -6.958 7.676 8.634 104 1HB LEU 12 HB2 LEU 12 -7.253 8.417 6.388 105 2HB LEU 12 HB1 LEU 12 -5.541 8.294 6.042 106 HG LEU 12 HG LEU 12 -5.782 5.776 6.212 107 1HD1 LEU 12 HD11 LEU 12 -8.709 6.581 6.286 108 2HD1 LEU 12 HD12 LEU 12 -7.835 5.686 7.530 109 3HD1 LEU 12 HD13 LEU 12 -8.136 4.946 5.958 110 1HD2 LEU 12 HD21 LEU 12 -5.769 7.019 4.051 111 2HD2 LEU 12 HD22 LEU 12 -7.520 7.202 4.165 112 3HD2 LEU 12 HD23 LEU 12 -6.811 5.598 3.981 113 H LYS 13 HN LYS 13 -6.408 5.814 9.674 114 HA LYS 13 HA LYS 13 -3.738 4.716 9.136 115 1HB LYS 13 HB2 LYS 13 -5.152 4.908 11.804 116 2HB LYS 13 HB1 LYS 13 -3.580 4.165 11.528 117 1HG LYS 13 HG2 LYS 13 -2.731 6.364 10.702 118 2HG LYS 13 HG1 LYS 13 -4.289 7.085 11.130 119 1HD LYS 13 HD2 LYS 13 -3.970 6.210 13.466 120 2HD LYS 13 HD1 LYS 13 -2.344 5.713 13.004 121 1HE LYS 13 HE2 LYS 13 -1.671 7.980 12.610 122 2HE LYS 13 HE1 LYS 13 -3.335 8.560 12.735 123 1HZ LYS 13 HZ1 LYS 13 -2.922 8.864 14.883 124 2HZ LYS 13 HZ2 LYS 13 -1.451 8.017 14.809 125 3HZ LYS 13 HZ3 LYS 13 -2.906 7.176 15.053 126 H GLY 14 HN GLY 14 -3.769 2.367 8.959 127 1HA GLY 14 HA2 GLY 14 -5.296 0.571 10.253 128 2HA GLY 14 HA1 GLY 14 -6.336 1.072 8.923 129 H GLU 15 HN GLU 15 -6.281 -0.916 8.037 130 HA GLU 15 HA GLU 15 -3.930 -1.454 6.346 131 1HB GLU 15 HB2 GLU 15 -5.416 -3.528 7.968 132 2HB GLU 15 HB1 GLU 15 -4.246 -3.886 6.709 133 1HG GLU 15 HG2 GLU 15 -2.511 -2.687 8.030 134 2HG GLU 15 HG1 GLU 15 -3.694 -2.465 9.319 135 H THR 16 HN THR 16 -4.453 -2.574 4.424 136 HA THR 16 HA THR 16 -7.161 -3.474 3.984 137 HB THR 16 HB THR 16 -7.258 -1.093 3.273 138 HG1 THR 16 HG1 THR 16 -8.452 -2.765 2.251 139 1HG2 THR 16 HG21 THR 16 -6.062 -0.397 1.211 140 2HG2 THR 16 HG22 THR 16 -5.142 -1.901 1.259 141 3HG2 THR 16 HG23 THR 16 -4.958 -0.713 2.549 142 H THR 17 HN THR 17 -7.115 -4.524 1.618 143 HA THR 17 HA THR 17 -4.453 -5.655 1.094 144 HB THR 17 HB THR 17 -5.361 -7.930 0.978 145 HG1 THR 17 HG1 THR 17 -7.625 -6.601 0.860 146 1HG2 THR 17 HG21 THR 17 -4.560 -7.033 3.219 147 2HG2 THR 17 HG22 THR 17 -5.676 -8.396 3.311 148 3HG2 THR 17 HG23 THR 17 -6.255 -6.760 3.623 149 H THR 18 HN THR 18 -4.357 -6.841 -0.938 150 HA THR 18 HA THR 18 -6.571 -6.575 -2.756 151 HB THR 18 HB THR 18 -5.179 -4.403 -2.911 152 HG1 THR 18 HG1 THR 18 -6.312 -5.955 -4.729 153 1HG2 THR 18 HG21 THR 18 -3.288 -6.081 -4.551 154 2HG2 THR 18 HG22 THR 18 -2.970 -5.760 -2.847 155 3HG2 THR 18 HG23 THR 18 -3.084 -4.422 -3.990 156 H LYS 19 HN LYS 19 -6.265 -7.979 -4.602 157 HA LYS 19 HA LYS 19 -4.149 -10.040 -4.182 158 1HB LYS 19 HB2 LYS 19 -6.390 -10.484 -6.096 159 2HB LYS 19 HB1 LYS 19 -5.546 -11.629 -5.080 160 1HG LYS 19 HG2 LYS 19 -7.286 -9.624 -3.710 161 2HG LYS 19 HG1 LYS 19 -8.096 -10.867 -4.653 162 1HD LYS 19 HD2 LYS 19 -6.180 -11.278 -2.350 163 2HD LYS 19 HD1 LYS 19 -7.895 -11.663 -2.390 164 1HE LYS 19 HE2 LYS 19 -6.764 -13.043 -4.584 165 2HE LYS 19 HE1 LYS 19 -5.657 -13.291 -3.234 166 1HZ LYS 19 HZ1 LYS 19 -8.575 -13.819 -3.281 167 2HZ LYS 19 HZ2 LYS 19 -7.598 -13.953 -1.898 168 3HZ LYS 19 HZ3 LYS 19 -7.334 -14.974 -3.230 169 H ALA 20 HN ALA 20 -2.674 -10.405 -5.812 170 HA ALA 20 HA ALA 20 -3.164 -9.396 -8.488 171 1HB ALA 20 HB1 ALA 20 -2.293 -7.399 -7.276 172 2HB ALA 20 HB2 ALA 20 -1.235 -7.946 -8.576 173 3HB ALA 20 HB3 ALA 20 -0.835 -8.316 -6.899 174 H VAL 21 HN VAL 21 -1.643 -10.125 -10.006 175 HA VAL 21 HA VAL 21 -0.537 -12.689 -9.407 176 HB VAL 21 HB VAL 21 0.347 -12.659 -11.695 177 1HG1 VAL 21 HG11 VAL 21 -1.868 -12.544 -12.817 178 2HG1 VAL 21 HG12 VAL 21 -2.530 -11.792 -11.366 179 3HG1 VAL 21 HG13 VAL 21 -1.906 -13.440 -11.298 180 1HG2 VAL 21 HG21 VAL 21 -0.198 -10.790 -13.198 181 2HG2 VAL 21 HG22 VAL 21 0.882 -10.275 -11.903 182 3HG2 VAL 21 HG23 VAL 21 -0.834 -9.876 -11.831 183 H ASP 22 HN ASP 22 0.872 -9.502 -9.309 184 HA ASP 22 HA ASP 22 3.332 -10.612 -8.321 185 1HB ASP 22 HB2 ASP 22 4.808 -9.487 -9.928 186 2HB ASP 22 HB1 ASP 22 3.814 -10.695 -10.731 187 H ALA 23 HN ALA 23 4.860 -8.896 -7.658 188 HA ALA 23 HA ALA 23 3.436 -7.164 -5.961 189 1HB ALA 23 HB1 ALA 23 6.374 -7.107 -6.655 190 2HB ALA 23 HB2 ALA 23 5.646 -8.136 -5.422 191 3HB ALA 23 HB3 ALA 23 5.619 -6.383 -5.236 192 H GLU 24 HN GLU 24 4.976 -6.482 -9.075 193 HA GLU 24 HA GLU 24 4.791 -3.681 -8.653 194 1HB GLU 24 HB2 GLU 24 5.870 -3.464 -10.630 195 2HB GLU 24 HB1 GLU 24 6.131 -5.185 -10.447 196 1HG GLU 24 HG2 GLU 24 4.411 -5.715 -12.003 197 2HG GLU 24 HG1 GLU 24 3.794 -4.064 -11.995 198 H THR 25 HN THR 25 2.518 -6.015 -9.961 199 HA THR 25 HA THR 25 0.667 -4.047 -10.881 200 HB THR 25 HB THR 25 0.170 -6.920 -10.021 201 HG1 THR 25 HG1 THR 25 0.531 -7.391 -12.091 202 1HG2 THR 25 HG21 THR 25 -1.828 -6.475 -11.702 203 2HG2 THR 25 HG22 THR 25 -1.596 -4.799 -11.207 204 3HG2 THR 25 HG23 THR 25 -1.984 -6.028 -10.003 205 H ALA 26 HN ALA 26 1.139 -5.721 -7.805 206 HA ALA 26 HA ALA 26 -1.187 -4.673 -6.551 207 1HB ALA 26 HB1 ALA 26 0.183 -6.617 -5.708 208 2HB ALA 26 HB2 ALA 26 -0.220 -5.416 -4.482 209 3HB ALA 26 HB3 ALA 26 1.396 -5.450 -5.187 210 H GLU 27 HN GLU 27 2.161 -3.532 -6.798 211 HA GLU 27 HA GLU 27 1.920 -1.328 -5.054 212 1HB GLU 27 HB2 GLU 27 4.107 -2.100 -5.910 213 2HB GLU 27 HB1 GLU 27 3.650 -1.588 -7.533 214 1HG GLU 27 HG2 GLU 27 3.382 0.747 -6.668 215 2HG GLU 27 HG1 GLU 27 3.981 0.200 -5.102 216 H LYS 28 HN LYS 28 1.255 -1.518 -8.533 217 HA LYS 28 HA LYS 28 0.602 1.243 -8.823 218 1HB LYS 28 HB2 LYS 28 -0.134 -1.239 -10.375 219 2HB LYS 28 HB1 LYS 28 -0.850 0.316 -10.778 220 1HG LYS 28 HG2 LYS 28 1.293 1.268 -11.282 221 2HG LYS 28 HG1 LYS 28 2.134 -0.128 -10.610 222 1HD LYS 28 HD2 LYS 28 1.023 -1.544 -12.387 223 2HD LYS 28 HD1 LYS 28 0.424 -0.054 -13.114 224 1HE LYS 28 HE2 LYS 28 2.455 0.454 -14.000 225 2HE LYS 28 HE1 LYS 28 3.312 0.011 -12.529 226 1HZ LYS 28 HZ1 LYS 28 3.863 -1.433 -14.399 227 2HZ LYS 28 HZ2 LYS 28 2.237 -1.909 -14.520 228 3HZ LYS 28 HZ3 LYS 28 3.137 -2.300 -13.133 229 H ALA 29 HN ALA 29 -1.397 -1.529 -7.916 230 HA ALA 29 HA ALA 29 -3.847 -0.031 -7.892 231 1HB ALA 29 HB1 ALA 29 -3.900 -2.476 -7.981 232 2HB ALA 29 HB2 ALA 29 -4.725 -1.900 -6.532 233 3HB ALA 29 HB3 ALA 29 -3.095 -2.562 -6.414 234 H PHE 30 HN PHE 30 -1.474 -0.792 -5.344 235 HA PHE 30 HA PHE 30 -2.956 0.557 -3.339 236 1HB PHE 30 HB2 PHE 30 -0.095 -0.352 -3.557 237 2HB PHE 30 HB1 PHE 30 -0.673 0.534 -2.158 238 HD1 PHE 30 HD1 PHE 30 -3.532 -0.801 -2.121 239 HD2 PHE 30 HD2 PHE 30 0.472 -2.344 -2.426 240 HE1 PHE 30 HE1 PHE 30 -4.263 -2.919 -1.076 241 HE2 PHE 30 HE2 PHE 30 -0.269 -4.466 -1.388 242 HZ PHE 30 HZ PHE 30 -2.610 -4.704 -0.601 243 H LYS 31 HN LYS 31 -0.363 1.701 -5.546 244 HA LYS 31 HA LYS 31 -0.128 4.233 -4.270 245 1HB LYS 31 HB2 LYS 31 0.387 3.408 -7.143 246 2HB LYS 31 HB1 LYS 31 0.835 4.964 -6.459 247 1HG LYS 31 HG2 LYS 31 1.792 2.640 -4.903 248 2HG LYS 31 HG1 LYS 31 2.467 2.753 -6.525 249 1HD LYS 31 HD2 LYS 31 3.249 5.011 -6.108 250 2HD LYS 31 HD1 LYS 31 2.452 5.037 -4.539 251 1HE LYS 31 HE2 LYS 31 4.460 4.361 -3.722 252 2HE LYS 31 HE1 LYS 31 4.030 2.775 -4.351 253 1HZ LYS 31 HZ1 LYS 31 5.378 3.017 -6.150 254 2HZ LYS 31 HZ2 LYS 31 6.249 3.951 -5.029 255 3HZ LYS 31 HZ3 LYS 31 5.253 4.709 -6.178 256 H GLN 32 HN GLN 32 -2.317 3.042 -6.795 257 HA GLN 32 HA GLN 32 -3.607 5.575 -7.230 258 1HB GLN 32 HB2 GLN 32 -3.800 3.607 -8.791 259 2HB GLN 32 HB1 GLN 32 -4.760 2.786 -7.560 260 1HG GLN 32 HG2 GLN 32 -6.297 3.834 -9.097 261 2HG GLN 32 HG1 GLN 32 -6.340 4.763 -7.599 262 1HE2 GLN 32 HE21 GLN 32 -5.891 6.982 -7.773 263 2HE2 GLN 32 HE22 GLN 32 -5.232 7.723 -9.150 264 H TYR 33 HN TYR 33 -4.288 2.917 -5.043 265 HA TYR 33 HA TYR 33 -6.625 3.984 -3.886 266 1HB TYR 33 HB2 TYR 33 -6.128 1.700 -3.483 267 2HB TYR 33 HB1 TYR 33 -4.498 2.069 -2.955 268 HD1 TYR 33 HD1 TYR 33 -8.061 2.050 -1.996 269 HD2 TYR 33 HD2 TYR 33 -4.037 2.789 -0.690 270 HE1 TYR 33 HE1 TYR 33 -8.809 1.955 0.368 271 HE2 TYR 33 HE2 TYR 33 -4.789 2.730 1.670 272 HH TYR 33 HH TYR 33 -7.759 3.044 2.692 273 H ALA 34 HN ALA 34 -3.225 4.359 -2.909 274 HA ALA 34 HA ALA 34 -3.750 6.033 -0.706 275 1HB ALA 34 HB1 ALA 34 -1.359 6.784 -1.075 276 2HB ALA 34 HB2 ALA 34 -1.333 5.724 -2.485 277 3HB ALA 34 HB3 ALA 34 -1.588 5.047 -0.876 278 H ASN 35 HN ASN 35 -3.067 6.877 -4.102 279 HA ASN 35 HA ASN 35 -3.148 9.678 -3.670 280 1HB ASN 35 HB2 ASN 35 -3.771 8.021 -6.126 281 2HB ASN 35 HB1 ASN 35 -3.816 9.772 -6.136 282 1HD2 ASN 35 HD21 ASN 35 -2.183 8.908 -7.944 283 2HD2 ASN 35 HD22 ASN 35 -0.550 8.951 -7.484 284 H ASP 36 HN ASP 36 -5.725 7.420 -4.576 285 HA ASP 36 HA ASP 36 -7.769 9.354 -4.764 286 1HB ASP 36 HB2 ASP 36 -7.896 6.413 -4.024 287 2HB ASP 36 HB1 ASP 36 -9.322 7.403 -4.286 288 H ASN 37 HN ASN 37 -6.339 7.936 -1.960 289 HA ASN 37 HA ASN 37 -8.422 9.147 -0.236 290 1HB ASN 37 HB2 ASN 37 -6.301 7.060 0.258 291 2HB ASN 37 HB1 ASN 37 -7.238 7.811 1.556 292 1HD2 ASN 37 HD21 ASN 37 -7.294 5.338 -0.832 293 2HD2 ASN 37 HD22 ASN 37 -8.935 4.926 -0.695 294 H GLY 38 HN GLY 38 -5.762 10.360 -1.601 295 1HA GLY 38 HA2 GLY 38 -4.699 12.276 -1.137 296 2HA GLY 38 HA1 GLY 38 -5.649 12.417 0.325 297 H VAL 39 HN VAL 39 -3.677 9.568 -0.051 298 HA VAL 39 HA VAL 39 -2.027 10.501 2.172 299 HB VAL 39 HB VAL 39 -2.328 7.771 0.870 300 1HG1 VAL 39 HG11 VAL 39 -0.056 7.905 1.635 301 2HG1 VAL 39 HG12 VAL 39 -0.952 6.993 2.850 302 3HG1 VAL 39 HG13 VAL 39 -0.547 8.685 3.138 303 1HG2 VAL 39 HG21 VAL 39 -3.137 8.859 3.585 304 2HG2 VAL 39 HG22 VAL 39 -3.301 7.176 3.083 305 3HG2 VAL 39 HG23 VAL 39 -4.228 8.434 2.266 306 H ASP 40 HN ASP 40 -0.064 11.206 1.920 307 HA ASP 40 HA ASP 40 1.483 10.631 -0.535 308 1HB ASP 40 HB2 ASP 40 0.591 12.920 -0.702 309 2HB ASP 40 HB1 ASP 40 1.214 13.295 0.901 310 H GLY 41 HN GLY 41 2.713 9.069 0.567 311 1HA GLY 41 HA2 GLY 41 4.454 10.156 2.690 312 2HA GLY 41 HA1 GLY 41 3.636 8.619 2.913 313 H VAL 42 HN VAL 42 5.847 7.996 3.267 314 HA VAL 42 HA VAL 42 7.320 7.512 0.774 315 HB VAL 42 HB VAL 42 9.260 6.849 2.199 316 1HG1 VAL 42 HG11 VAL 42 9.666 9.258 2.821 317 2HG1 VAL 42 HG12 VAL 42 7.973 9.583 2.447 318 3HG1 VAL 42 HG13 VAL 42 9.067 9.030 1.179 319 1HG2 VAL 42 HG21 VAL 42 8.206 6.277 4.295 320 2HG2 VAL 42 HG22 VAL 42 7.446 7.870 4.393 321 3HG2 VAL 42 HG23 VAL 42 9.195 7.713 4.556 322 H TRP 43 HN TRP 43 7.750 5.311 0.260 323 HA TRP 43 HA TRP 43 6.082 3.241 1.603 324 1HB TRP 43 HB2 TRP 43 7.182 3.432 -1.189 325 2HB TRP 43 HB1 TRP 43 6.201 2.104 -0.575 326 HD1 TRP 43 HD1 TRP 43 5.864 5.984 -0.970 327 HE1 TRP 43 HE1 TRP 43 3.372 6.451 -1.468 328 HE3 TRP 43 HE3 TRP 43 4.036 1.251 -0.606 329 HZ2 TRP 43 HZ2 TRP 43 0.915 4.974 -1.682 330 HZ3 TRP 43 HZ3 TRP 43 1.629 0.796 -0.959 331 HH2 TRP 43 HH2 TRP 43 0.074 2.647 -1.494 332 H THR 44 HN THR 44 6.767 1.267 2.168 333 HA THR 44 HA THR 44 9.361 0.309 1.154 334 HB THR 44 HB THR 44 9.690 -0.997 3.206 335 HG1 THR 44 HG1 THR 44 7.802 -1.410 4.053 336 1HG2 THR 44 HG21 THR 44 10.043 0.806 4.916 337 2HG2 THR 44 HG22 THR 44 9.270 1.933 3.800 338 3HG2 THR 44 HG23 THR 44 10.774 1.133 3.345 339 H TYR 45 HN TYR 45 9.443 -1.964 1.047 340 HA TYR 45 HA TYR 45 6.869 -3.372 1.041 341 1HB TYR 45 HB2 TYR 45 7.135 -2.727 -1.296 342 2HB TYR 45 HB1 TYR 45 8.807 -3.294 -1.303 343 HD1 TYR 45 HD1 TYR 45 5.410 -4.603 -0.326 344 HD2 TYR 45 HD2 TYR 45 9.176 -5.414 -2.233 345 HE1 TYR 45 HE1 TYR 45 4.652 -6.906 -0.847 346 HE2 TYR 45 HE2 TYR 45 8.413 -7.713 -2.759 347 HH TYR 45 HH TYR 45 6.651 -9.344 -1.589 348 H ASP 46 HN ASP 46 7.154 -5.313 2.028 349 HA ASP 46 HA ASP 46 9.894 -6.365 2.324 350 1HB ASP 46 HB2 ASP 46 8.784 -5.675 4.468 351 2HB ASP 46 HB1 ASP 46 7.506 -6.846 4.136 352 H ASP 47 HN ASP 47 10.099 -7.906 0.825 353 HA ASP 47 HA ASP 47 7.961 -9.269 -0.380 354 1HB ASP 47 HB2 ASP 47 10.354 -8.859 -1.233 355 2HB ASP 47 HB1 ASP 47 10.772 -10.312 -0.330 356 H ALA 48 HN ALA 48 9.749 -10.121 2.619 357 HA ALA 48 HA ALA 48 9.051 -12.811 2.529 358 1HB ALA 48 HB1 ALA 48 9.611 -12.723 4.979 359 2HB ALA 48 HB2 ALA 48 9.798 -10.977 4.815 360 3HB ALA 48 HB3 ALA 48 10.869 -12.065 3.933 361 H THR 49 HN THR 49 7.370 -10.030 3.795 362 HA THR 49 HA THR 49 5.141 -11.820 4.603 363 HB THR 49 HB THR 49 4.356 -9.945 6.011 364 HG1 THR 49 HG1 THR 49 5.872 -8.152 6.184 365 1HG2 THR 49 HG21 THR 49 6.362 -9.819 7.573 366 2HG2 THR 49 HG22 THR 49 7.254 -10.747 6.368 367 3HG2 THR 49 HG23 THR 49 5.838 -11.449 7.151 368 H LYS 50 HN LYS 50 5.937 -10.029 1.934 369 HA LYS 50 HA LYS 50 4.848 -9.083 0.315 370 1HB LYS 50 HB2 LYS 50 2.376 -10.584 1.198 371 2HB LYS 50 HB1 LYS 50 2.825 -10.114 -0.435 372 1HG LYS 50 HG2 LYS 50 4.425 -12.075 1.222 373 2HG LYS 50 HG1 LYS 50 3.151 -12.561 0.105 374 1HD LYS 50 HD2 LYS 50 4.333 -11.561 -1.764 375 2HD LYS 50 HD1 LYS 50 5.561 -10.901 -0.683 376 1HE LYS 50 HE2 LYS 50 6.165 -13.210 0.007 377 2HE LYS 50 HE1 LYS 50 4.994 -13.840 -1.155 378 1HZ LYS 50 HZ1 LYS 50 7.211 -13.788 -2.099 379 2HZ LYS 50 HZ2 LYS 50 7.327 -12.120 -1.799 380 3HZ LYS 50 HZ3 LYS 50 6.194 -12.707 -2.921 381 H THR 51 HN THR 51 4.982 -7.520 2.375 382 HA THR 51 HA THR 51 2.345 -6.189 2.598 383 HB THR 51 HB THR 51 4.442 -6.344 4.786 384 HG1 THR 51 HG1 THR 51 3.209 -8.216 4.533 385 1HG2 THR 51 HG21 THR 51 1.831 -4.837 4.590 386 2HG2 THR 51 HG22 THR 51 3.421 -4.210 5.022 387 3HG2 THR 51 HG23 THR 51 2.554 -5.260 6.142 388 H PHE 52 HN PHE 52 2.287 -4.166 2.171 389 HA PHE 52 HA PHE 52 4.743 -2.554 1.601 390 1HB PHE 52 HB2 PHE 52 1.858 -2.169 0.739 391 2HB PHE 52 HB1 PHE 52 3.133 -0.996 0.473 392 HD1 PHE 52 HD1 PHE 52 1.924 -4.391 -0.415 393 HD2 PHE 52 HD2 PHE 52 4.664 -1.208 -1.328 394 HE1 PHE 52 HE1 PHE 52 2.421 -5.448 -2.606 395 HE2 PHE 52 HE2 PHE 52 5.178 -2.275 -3.508 396 HZ PHE 52 HZ PHE 52 4.048 -4.388 -4.149 397 H THR 53 HN THR 53 4.937 -0.629 2.780 398 HA THR 53 HA THR 53 2.754 0.035 4.636 399 HB THR 53 HB THR 53 5.738 0.269 5.203 400 HG1 THR 53 HG1 THR 53 3.961 -1.489 6.484 401 1HG2 THR 53 HG21 THR 53 4.974 0.685 7.537 402 2HG2 THR 53 HG22 THR 53 3.306 0.686 6.964 403 3HG2 THR 53 HG23 THR 53 4.428 1.932 6.415 404 H VAL 54 HN VAL 54 2.261 2.193 4.649 405 HA VAL 54 HA VAL 54 4.090 4.016 3.240 406 HB VAL 54 HB VAL 54 2.157 3.656 1.779 407 1HG1 VAL 54 HG11 VAL 54 -0.098 4.345 2.463 408 2HG1 VAL 54 HG12 VAL 54 0.492 4.688 4.088 409 3HG1 VAL 54 HG13 VAL 54 0.491 3.031 3.481 410 1HG2 VAL 54 HG21 VAL 54 3.267 5.896 1.981 411 2HG2 VAL 54 HG22 VAL 54 2.004 6.370 3.117 412 3HG2 VAL 54 HG23 VAL 54 1.589 5.986 1.447 413 H THR 55 HN THR 55 4.635 5.702 4.395 414 HA THR 55 HA THR 55 3.005 6.364 6.826 415 HB THR 55 HB THR 55 5.052 5.326 7.536 416 HG1 THR 55 HG1 THR 55 5.212 6.766 9.070 417 1HG2 THR 55 HG21 THR 55 6.636 7.646 6.474 418 2HG2 THR 55 HG22 THR 55 6.433 6.174 5.520 419 3HG2 THR 55 HG23 THR 55 7.218 6.102 7.097 420 H GLU 56 HN GLU 56 2.431 8.448 7.060 421 HA GLU 56 HA GLU 56 3.516 10.467 5.209 422 1HB GLU 56 HB2 GLU 56 1.145 10.434 7.091 423 2HB GLU 56 HB1 GLU 56 1.708 11.910 6.307 424 1HG GLU 56 HG2 GLU 56 1.509 10.733 4.097 425 2HG GLU 56 HG1 GLU 56 0.772 9.375 4.943
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