NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10095 | 1p7f | cing | 1-original | 13 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H MET 1 HT1 MET 1 -2.284 -13.420 -4.241 2 2H MET 1 HT2 MET 1 -2.756 -14.951 -3.674 3 3H MET 1 HT3 MET 1 -1.208 -14.727 -4.336 4 HA MET 1 HA MET 1 -1.620 -14.803 -1.797 5 1HB MET 1 HB2 MET 1 0.559 -14.510 -2.975 6 2HB MET 1 HB1 MET 1 0.225 -12.787 -3.117 7 1HG MET 1 HG2 MET 1 0.838 -12.392 -0.970 8 2HG MET 1 HG1 MET 1 -0.102 -13.754 -0.369 9 1HE MET 1 HE1 MET 1 2.092 -16.782 -0.639 10 2HE MET 1 HE2 MET 1 0.563 -16.165 -1.265 11 3HE MET 1 HE3 MET 1 0.951 -15.989 0.447 12 H GLN 2 HN GLN 2 -2.011 -13.431 -0.031 13 HA GLN 2 HA GLN 2 -3.602 -11.048 -0.663 14 1HB GLN 2 HB2 GLN 2 -3.666 -11.162 2.046 15 2HB GLN 2 HB1 GLN 2 -4.779 -12.083 1.037 16 1HG GLN 2 HG2 GLN 2 -2.098 -13.208 1.856 17 2HG GLN 2 HG1 GLN 2 -3.523 -13.375 2.881 18 1HE2 GLN 2 HE21 GLN 2 -5.554 -14.232 1.560 19 2HE2 GLN 2 HE22 GLN 2 -5.235 -15.497 0.474 20 H TYR 3 HN TYR 3 -2.761 -9.096 -0.515 21 HA TYR 3 HA TYR 3 -0.124 -8.756 0.820 22 1HB TYR 3 HB2 TYR 3 -1.325 -7.228 -1.527 23 2HB TYR 3 HB1 TYR 3 0.158 -6.766 -0.698 24 HD1 TYR 3 HD1 TYR 3 -1.430 -9.264 -2.896 25 HD2 TYR 3 HD2 TYR 3 2.229 -8.019 -1.017 26 HE1 TYR 3 HE1 TYR 3 -0.152 -10.796 -4.371 27 HE2 TYR 3 HE2 TYR 3 3.507 -9.556 -2.487 28 HH TYR 3 HH TYR 3 3.001 -10.576 -4.940 29 H LYS 4 HN LYS 4 0.114 -6.887 2.067 30 HA LYS 4 HA LYS 4 -2.420 -5.694 2.891 31 1HB LYS 4 HB2 LYS 4 -1.461 -7.187 4.616 32 2HB LYS 4 HB1 LYS 4 0.078 -6.347 4.517 33 1HG LYS 4 HG2 LYS 4 -0.889 -4.331 5.445 34 2HG LYS 4 HG1 LYS 4 -2.507 -5.034 5.393 35 1HD LYS 4 HD2 LYS 4 -0.258 -6.334 6.939 36 2HD LYS 4 HD1 LYS 4 -1.286 -5.097 7.659 37 1HE LYS 4 HE2 LYS 4 -3.283 -6.463 7.152 38 2HE LYS 4 HE1 LYS 4 -2.252 -7.713 6.456 39 1HZ LYS 4 HZ1 LYS 4 -2.987 -7.554 9.055 40 2HZ LYS 4 HZ2 LYS 4 -1.424 -6.889 9.075 41 3HZ LYS 4 HZ3 LYS 4 -1.677 -8.451 8.457 42 H LEU 5 HN LEU 5 -2.427 -3.522 3.269 43 HA LEU 5 HA LEU 5 0.023 -1.965 2.640 44 1HB LEU 5 HB2 LEU 5 -1.572 -1.597 0.905 45 2HB LEU 5 HB1 LEU 5 -2.835 -1.242 2.077 46 HG LEU 5 HG LEU 5 -1.456 0.700 2.881 47 1HD1 LEU 5 HD11 LEU 5 0.760 0.225 2.254 48 2HD1 LEU 5 HD12 LEU 5 0.277 1.468 1.101 49 3HD1 LEU 5 HD13 LEU 5 0.296 -0.228 0.616 50 1HD2 LEU 5 HD21 LEU 5 -2.130 0.728 -0.075 51 2HD2 LEU 5 HD22 LEU 5 -2.009 2.139 0.976 52 3HD2 LEU 5 HD23 LEU 5 -3.295 0.958 1.229 53 H VAL 6 HN VAL 6 0.689 -0.846 4.425 54 HA VAL 6 HA VAL 6 -1.137 -0.242 6.661 55 HB VAL 6 HB VAL 6 1.908 -0.432 6.489 56 1HG1 VAL 6 HG11 VAL 6 1.895 -0.092 8.928 57 2HG1 VAL 6 HG12 VAL 6 0.149 0.147 8.883 58 3HG1 VAL 6 HG13 VAL 6 1.217 1.299 8.083 59 1HG2 VAL 6 HG21 VAL 6 1.737 -2.418 7.825 60 2HG2 VAL 6 HG22 VAL 6 0.605 -2.603 6.485 61 3HG2 VAL 6 HG23 VAL 6 0.012 -2.166 8.087 62 H ILE 7 HN ILE 7 -1.739 1.826 6.706 63 HA ILE 7 HA ILE 7 -0.273 3.776 5.035 64 HB ILE 7 HB ILE 7 -3.114 4.033 5.989 65 1HG1 ILE 7 HG12 ILE 7 -2.612 3.449 3.134 66 2HG1 ILE 7 HG11 ILE 7 -2.254 2.110 4.219 67 1HG2 ILE 7 HG21 ILE 7 -1.524 5.434 3.823 68 2HG2 ILE 7 HG22 ILE 7 -1.969 6.124 5.384 69 3HG2 ILE 7 HG23 ILE 7 -3.220 5.729 4.205 70 1HD1 ILE 7 HD1 ILE 7 -4.506 2.318 5.220 71 2HD1 ILE 7 HD2 ILE 7 -4.590 2.004 3.487 72 3HD1 ILE 7 HD3 ILE 7 -4.870 3.634 4.103 73 H ASN 8 HN ASN 8 0.900 5.108 6.173 74 HA ASN 8 HA ASN 8 -0.031 5.978 8.843 75 1HB ASN 8 HB2 ASN 8 2.786 5.719 7.804 76 2HB ASN 8 HB1 ASN 8 2.364 6.570 9.288 77 1HD2 ASN 8 HD21 ASN 8 0.420 4.923 10.406 78 2HD2 ASN 8 HD22 ASN 8 1.071 3.391 10.736 79 H GLY 9 HN GLY 9 -1.339 7.503 7.477 80 1HA GLY 9 HA2 GLY 9 0.138 9.555 6.005 81 2HA GLY 9 HA1 GLY 9 -1.601 9.299 5.985 82 H LYS 10 HN LYS 10 -0.772 11.792 6.261 83 HA LYS 10 HA LYS 10 -0.295 12.759 8.871 84 1HB LYS 10 HB2 LYS 10 -1.465 13.963 6.375 85 2HB LYS 10 HB1 LYS 10 -1.412 14.886 7.868 86 1HG LYS 10 HG2 LYS 10 0.878 15.118 7.819 87 2HG LYS 10 HG1 LYS 10 1.126 13.573 7.010 88 1HD LYS 10 HD2 LYS 10 1.319 14.653 5.042 89 2HD LYS 10 HD1 LYS 10 -0.336 15.215 5.193 90 1HE LYS 10 HE2 LYS 10 0.490 17.158 6.524 91 2HE LYS 10 HE1 LYS 10 2.142 16.610 6.232 92 1HZ LYS 10 HZ1 LYS 10 2.085 17.633 4.284 93 2HZ LYS 10 HZ2 LYS 10 0.477 18.117 4.544 94 3HZ LYS 10 HZ3 LYS 10 0.808 16.635 3.782 95 H THR 11 HN THR 11 -3.154 12.217 6.939 96 HA THR 11 HA THR 11 -4.903 12.755 9.263 97 HB THR 11 HB THR 11 -4.712 13.932 6.629 98 HG1 THR 11 HG1 THR 11 -6.641 14.781 8.362 99 1HG2 THR 11 HG21 THR 11 -7.462 12.878 7.291 100 2HG2 THR 11 HG22 THR 11 -6.457 12.366 5.935 101 3HG2 THR 11 HG23 THR 11 -7.068 14.019 6.006 102 H LEU 12 HN LEU 12 -4.292 10.471 6.655 103 HA LEU 12 HA LEU 12 -6.471 8.875 7.756 104 1HB LEU 12 HB2 LEU 12 -6.633 9.404 5.258 105 2HB LEU 12 HB1 LEU 12 -4.928 9.044 5.066 106 HG LEU 12 HG LEU 12 -5.407 6.643 5.487 107 1HD1 LEU 12 HD11 LEU 12 -7.878 6.003 5.335 108 2HD1 LEU 12 HD12 LEU 12 -8.241 7.694 5.677 109 3HD1 LEU 12 HD13 LEU 12 -7.369 6.722 6.862 110 1HD2 LEU 12 HD21 LEU 12 -6.452 6.239 3.332 111 2HD2 LEU 12 HD22 LEU 12 -5.444 7.679 3.189 112 3HD2 LEU 12 HD23 LEU 12 -7.193 7.839 3.345 113 H LYS 13 HN LYS 13 -5.943 7.170 8.995 114 HA LYS 13 HA LYS 13 -3.334 5.976 8.469 115 1HB LYS 13 HB2 LYS 13 -4.629 6.526 11.167 116 2HB LYS 13 HB1 LYS 13 -3.076 5.727 10.935 117 1HG LYS 13 HG2 LYS 13 -2.232 7.790 9.807 118 2HG LYS 13 HG1 LYS 13 -3.765 8.584 10.192 119 1HD LYS 13 HD2 LYS 13 -3.375 8.009 12.608 120 2HD LYS 13 HD1 LYS 13 -1.774 7.427 12.160 121 1HE LYS 13 HE2 LYS 13 -1.082 9.613 11.459 122 2HE LYS 13 HE1 LYS 13 -2.732 10.234 11.562 123 1HZ LYS 13 HZ1 LYS 13 -1.851 9.012 13.998 124 2HZ LYS 13 HZ2 LYS 13 -2.547 10.541 13.743 125 3HZ LYS 13 HZ3 LYS 13 -0.873 10.324 13.548 126 H GLY 14 HN GLY 14 -3.403 3.619 8.606 127 1HA GLY 14 HA2 GLY 14 -4.877 2.024 10.206 128 2HA GLY 14 HA1 GLY 14 -5.974 2.372 8.872 129 H GLU 15 HN GLU 15 -5.964 0.268 8.283 130 HA GLU 15 HA GLU 15 -3.722 -0.483 6.509 131 1HB GLU 15 HB2 GLU 15 -5.122 -2.342 8.446 132 2HB GLU 15 HB1 GLU 15 -4.003 -2.845 7.189 133 1HG GLU 15 HG2 GLU 15 -2.218 -1.512 8.292 134 2HG GLU 15 HG1 GLU 15 -3.349 -1.127 9.589 135 H THR 16 HN THR 16 -4.337 -1.835 4.789 136 HA THR 16 HA THR 16 -7.046 -2.753 4.602 137 HB THR 16 HB THR 16 -7.210 -0.478 3.609 138 HG1 THR 16 HG1 THR 16 -7.447 -2.724 1.914 139 1HG2 THR 16 HG21 THR 16 -5.274 -1.515 1.518 140 2HG2 THR 16 HG22 THR 16 -4.892 -0.297 2.736 141 3HG2 THR 16 HG23 THR 16 -6.098 0.045 1.496 142 H THR 17 HN THR 17 -7.133 -4.067 2.365 143 HA THR 17 HA THR 17 -4.501 -5.301 1.888 144 HB THR 17 HB THR 17 -5.457 -7.556 2.065 145 HG1 THR 17 HG1 THR 17 -7.794 -6.204 2.926 146 1HG2 THR 17 HG21 THR 17 -5.985 -5.867 4.527 147 2HG2 THR 17 HG22 THR 17 -4.484 -6.702 4.126 148 3HG2 THR 17 HG23 THR 17 -5.931 -7.630 4.519 149 H THR 18 HN THR 18 -4.521 -6.722 0.012 150 HA THR 18 HA THR 18 -6.794 -6.646 -1.791 151 HB THR 18 HB THR 18 -5.400 -4.524 -2.229 152 HG1 THR 18 HG1 THR 18 -5.767 -4.797 -4.422 153 1HG2 THR 18 HG21 THR 18 -3.199 -5.880 -2.090 154 2HG2 THR 18 HG22 THR 18 -3.357 -4.706 -3.397 155 3HG2 THR 18 HG23 THR 18 -3.594 -6.423 -3.721 156 H LYS 19 HN LYS 19 -6.590 -8.268 -3.422 157 HA LYS 19 HA LYS 19 -4.465 -10.284 -2.851 158 1HB LYS 19 HB2 LYS 19 -6.824 -10.895 -4.594 159 2HB LYS 19 HB1 LYS 19 -5.952 -11.952 -3.509 160 1HG LYS 19 HG2 LYS 19 -7.597 -9.770 -2.291 161 2HG LYS 19 HG1 LYS 19 -8.457 -11.113 -3.032 162 1HD LYS 19 HD2 LYS 19 -6.428 -11.256 -0.793 163 2HD LYS 19 HD1 LYS 19 -8.146 -11.616 -0.696 164 1HE LYS 19 HE2 LYS 19 -7.135 -13.278 -2.752 165 2HE LYS 19 HE1 LYS 19 -5.971 -13.373 -1.433 166 1HZ LYS 19 HZ1 LYS 19 -8.863 -13.981 -1.397 167 2HZ LYS 19 HZ2 LYS 19 -7.985 -13.720 0.034 168 3HZ LYS 19 HZ3 LYS 19 -7.566 -15.001 -1.001 169 H ALA 20 HN ALA 20 -3.069 -10.881 -4.467 170 HA ALA 20 HA ALA 20 -3.676 -10.198 -7.231 171 1HB ALA 20 HB1 ALA 20 -1.117 -9.067 -6.191 172 2HB ALA 20 HB2 ALA 20 -2.607 -8.146 -6.004 173 3HB ALA 20 HB3 ALA 20 -2.056 -8.611 -7.612 174 H VAL 21 HN VAL 21 -2.228 -11.131 -8.715 175 HA VAL 21 HA VAL 21 -1.135 -13.631 -7.828 176 HB VAL 21 HB VAL 21 -0.374 -13.976 -10.094 177 1HG1 VAL 21 HG11 VAL 21 -2.567 -14.160 -11.072 178 2HG1 VAL 21 HG12 VAL 21 -3.202 -12.913 -9.999 179 3HG1 VAL 21 HG13 VAL 21 -2.708 -14.473 -9.342 180 1HG2 VAL 21 HG21 VAL 21 -1.350 -11.142 -10.473 181 2HG2 VAL 21 HG22 VAL 21 -1.128 -12.267 -11.813 182 3HG2 VAL 21 HG23 VAL 21 0.252 -11.791 -10.823 183 H ASP 22 HN ASP 22 0.326 -10.488 -8.199 184 HA ASP 22 HA ASP 22 2.819 -11.525 -7.170 185 1HB ASP 22 HB2 ASP 22 4.230 -10.620 -8.972 186 2HB ASP 22 HB1 ASP 22 3.199 -11.911 -9.574 187 H ALA 23 HN ALA 23 4.400 -9.766 -6.790 188 HA ALA 23 HA ALA 23 3.066 -7.815 -5.245 189 1HB ALA 23 HB1 ALA 23 5.958 -7.744 -6.109 190 2HB ALA 23 HB2 ALA 23 5.365 -8.812 -4.837 191 3HB ALA 23 HB3 ALA 23 5.251 -7.063 -4.645 192 H GLU 24 HN GLU 24 4.478 -7.542 -8.487 193 HA GLU 24 HA GLU 24 4.264 -4.674 -8.444 194 1HB GLU 24 HB2 GLU 24 5.302 -4.760 -10.449 195 2HB GLU 24 HB1 GLU 24 5.550 -6.452 -10.072 196 1HG GLU 24 HG2 GLU 24 3.750 -7.133 -11.469 197 2HG GLU 24 HG1 GLU 24 3.152 -5.482 -11.629 198 H THR 25 HN THR 25 1.955 -7.155 -9.276 199 HA THR 25 HA THR 25 0.069 -5.286 -10.365 200 HB THR 25 HB THR 25 -0.403 -8.022 -9.132 201 HG1 THR 25 HG1 THR 25 -0.746 -8.135 -11.663 202 1HG2 THR 25 HG21 THR 25 -2.541 -7.914 -10.446 203 2HG2 THR 25 HG22 THR 25 -2.194 -6.220 -10.791 204 3HG2 THR 25 HG23 THR 25 -2.474 -6.742 -9.130 205 H ALA 26 HN ALA 26 0.715 -6.564 -7.137 206 HA ALA 26 HA ALA 26 -1.542 -5.329 -5.895 207 1HB ALA 26 HB1 ALA 26 -0.481 -5.850 -3.812 208 2HB ALA 26 HB2 ALA 26 1.098 -5.993 -4.585 209 3HB ALA 26 HB3 ALA 26 -0.153 -7.195 -4.904 210 H GLU 27 HN GLU 27 1.801 -4.304 -6.463 211 HA GLU 27 HA GLU 27 1.649 -1.884 -5.000 212 1HB GLU 27 HB2 GLU 27 3.815 -2.841 -5.960 213 2HB GLU 27 HB1 GLU 27 3.222 -2.454 -7.575 214 1HG GLU 27 HG2 GLU 27 3.089 -0.052 -6.919 215 2HG GLU 27 HG1 GLU 27 3.765 -0.466 -5.344 216 H LYS 28 HN LYS 28 0.845 -2.500 -8.378 217 HA LYS 28 HA LYS 28 0.207 0.206 -8.994 218 1HB LYS 28 HB2 LYS 28 -0.615 -2.482 -10.138 219 2HB LYS 28 HB1 LYS 28 -1.386 -1.008 -10.716 220 1HG LYS 28 HG2 LYS 28 0.713 -0.112 -11.474 221 2HG LYS 28 HG1 LYS 28 1.613 -1.401 -10.677 222 1HD LYS 28 HD2 LYS 28 0.399 -3.043 -12.182 223 2HD LYS 28 HD1 LYS 28 -0.227 -1.656 -13.073 224 1HE LYS 28 HE2 LYS 28 1.764 -1.287 -14.110 225 2HE LYS 28 HE1 LYS 28 2.688 -1.552 -12.636 226 1HZ LYS 28 HZ1 LYS 28 1.512 -3.970 -13.538 227 2HZ LYS 28 HZ2 LYS 28 3.149 -3.605 -13.264 228 3HZ LYS 28 HZ3 LYS 28 2.443 -3.268 -14.771 229 H ALA 29 HN ALA 29 -1.768 -2.387 -7.628 230 HA ALA 29 HA ALA 29 -4.209 -0.858 -7.693 231 1HB ALA 29 HB1 ALA 29 -4.236 -3.325 -7.438 232 2HB ALA 29 HB2 ALA 29 -5.019 -2.541 -6.065 233 3HB ALA 29 HB3 ALA 29 -3.379 -3.171 -5.904 234 H PHE 30 HN PHE 30 -1.727 -1.312 -5.197 235 HA PHE 30 HA PHE 30 -3.104 0.303 -3.284 236 1HB PHE 30 HB2 PHE 30 -0.267 -0.660 -3.533 237 2HB PHE 30 HB1 PHE 30 -0.775 0.407 -2.237 238 HD1 PHE 30 HD1 PHE 30 -3.633 -0.877 -1.891 239 HD2 PHE 30 HD2 PHE 30 0.341 -2.499 -2.180 240 HE1 PHE 30 HE1 PHE 30 -4.328 -2.831 -0.547 241 HE2 PHE 30 HE2 PHE 30 -0.365 -4.459 -0.841 242 HZ PHE 30 HZ PHE 30 -2.687 -4.600 0.022 243 H LYS 31 HN LYS 31 -0.613 1.114 -5.755 244 HA LYS 31 HA LYS 31 -0.291 3.776 -4.809 245 1HB LYS 31 HB2 LYS 31 0.071 2.595 -7.586 246 2HB LYS 31 HB1 LYS 31 0.564 4.221 -7.132 247 1HG LYS 31 HG2 LYS 31 1.581 2.104 -5.336 248 2HG LYS 31 HG1 LYS 31 2.178 2.000 -6.989 249 1HD LYS 31 HD2 LYS 31 2.999 4.280 -6.900 250 2HD LYS 31 HD1 LYS 31 2.274 4.520 -5.314 251 1HE LYS 31 HE2 LYS 31 4.312 3.929 -4.504 252 2HE LYS 31 HE1 LYS 31 3.840 2.280 -4.901 253 1HZ LYS 31 HZ1 LYS 31 5.142 2.250 -6.736 254 2HZ LYS 31 HZ2 LYS 31 6.032 3.379 -5.831 255 3HZ LYS 31 HZ3 LYS 31 4.968 3.908 -7.045 256 H GLN 32 HN GLN 32 -2.606 2.323 -7.057 257 HA GLN 32 HA GLN 32 -3.880 4.807 -7.776 258 1HB GLN 32 HB2 GLN 32 -4.186 2.599 -9.023 259 2HB GLN 32 HB1 GLN 32 -5.102 2.016 -7.633 260 1HG GLN 32 HG2 GLN 32 -6.675 2.856 -9.273 261 2HG GLN 32 HG1 GLN 32 -6.654 3.978 -7.915 262 1HE2 GLN 32 HE21 GLN 32 -6.188 6.148 -8.402 263 2HE2 GLN 32 HE22 GLN 32 -5.580 6.688 -9.892 264 H TYR 33 HN TYR 33 -4.491 2.486 -5.241 265 HA TYR 33 HA TYR 33 -6.770 3.739 -4.141 266 1HB TYR 33 HB2 TYR 33 -6.243 1.504 -3.435 267 2HB TYR 33 HB1 TYR 33 -4.597 1.948 -3.031 268 HD1 TYR 33 HD1 TYR 33 -8.127 2.087 -1.931 269 HD2 TYR 33 HD2 TYR 33 -4.044 2.942 -0.905 270 HE1 TYR 33 HE1 TYR 33 -8.772 2.318 0.453 271 HE2 TYR 33 HE2 TYR 33 -4.694 3.207 1.471 272 HH TYR 33 HH TYR 33 -7.967 3.330 2.500 273 H ALA 34 HN ALA 34 -3.330 4.194 -3.374 274 HA ALA 34 HA ALA 34 -3.743 6.140 -1.371 275 1HB ALA 34 HB1 ALA 34 -1.400 6.783 -1.809 276 2HB ALA 34 HB2 ALA 34 -1.395 5.704 -3.205 277 3HB ALA 34 HB3 ALA 34 -1.613 5.047 -1.583 278 H ASN 35 HN ASN 35 -3.244 6.545 -4.915 279 HA ASN 35 HA ASN 35 -3.248 9.355 -4.817 280 1HB ASN 35 HB2 ASN 35 -4.014 7.331 -6.969 281 2HB ASN 35 HB1 ASN 35 -4.091 9.057 -7.274 282 1HD2 ASN 35 HD21 ASN 35 -2.515 7.979 -9.006 283 2HD2 ASN 35 HD22 ASN 35 -0.864 8.096 -8.628 284 H ASP 36 HN ASP 36 -5.877 7.049 -5.316 285 HA ASP 36 HA ASP 36 -7.926 8.955 -5.670 286 1HB ASP 36 HB2 ASP 36 -7.919 6.109 -4.511 287 2HB ASP 36 HB1 ASP 36 -9.410 7.005 -4.767 288 H ASN 37 HN ASN 37 -6.391 7.918 -2.774 289 HA ASN 37 HA ASN 37 -8.402 9.393 -1.109 290 1HB ASN 37 HB2 ASN 37 -6.297 7.366 -0.434 291 2HB ASN 37 HB1 ASN 37 -7.184 8.316 0.765 292 1HD2 ASN 37 HD21 ASN 37 -7.341 5.521 -1.234 293 2HD2 ASN 37 HD22 ASN 37 -8.978 5.153 -0.981 294 H GLY 38 HN GLY 38 -5.798 10.385 -2.766 295 1HA GLY 38 HA2 GLY 38 -4.693 12.341 -2.564 296 2HA GLY 38 HA1 GLY 38 -5.584 12.652 -1.091 297 H VAL 39 HN VAL 39 -3.664 9.750 -1.159 298 HA VAL 39 HA VAL 39 -1.897 10.949 0.841 299 HB VAL 39 HB VAL 39 -2.306 8.073 -0.047 300 1HG1 VAL 39 HG11 VAL 39 0.000 8.279 0.610 301 2HG1 VAL 39 HG12 VAL 39 -0.864 7.542 1.958 302 3HG1 VAL 39 HG13 VAL 39 -0.434 9.251 2.016 303 1HG2 VAL 39 HG21 VAL 39 -3.015 9.579 2.488 304 2HG2 VAL 39 HG22 VAL 39 -3.176 7.834 2.290 305 3HG2 VAL 39 HG23 VAL 39 -4.144 8.927 1.301 306 H ASP 40 HN ASP 40 0.064 11.559 0.428 307 HA ASP 40 HA ASP 40 1.484 10.611 -1.982 308 1HB ASP 40 HB2 ASP 40 0.632 12.869 -2.434 309 2HB ASP 40 HB1 ASP 40 1.341 13.454 -0.934 310 H GLY 41 HN GLY 41 2.728 9.182 -0.685 311 1HA GLY 41 HA2 GLY 41 4.615 10.542 1.139 312 2HA GLY 41 HA1 GLY 41 3.785 9.079 1.639 313 H VAL 42 HN VAL 42 6.017 8.417 1.988 314 HA VAL 42 HA VAL 42 7.429 7.556 -0.447 315 HB VAL 42 HB VAL 42 9.353 7.132 0.795 316 1HG1 VAL 42 HG11 VAL 42 9.773 9.612 1.060 317 2HG1 VAL 42 HG12 VAL 42 8.052 9.868 0.771 318 3HG1 VAL 42 HG13 VAL 42 9.061 9.151 -0.486 319 1HG2 VAL 42 HG21 VAL 42 9.527 8.207 3.021 320 2HG2 VAL 42 HG22 VAL 42 8.389 6.860 3.038 321 3HG2 VAL 42 HG23 VAL 42 7.791 8.519 2.994 322 H TRP 43 HN TRP 43 7.736 5.336 -0.701 323 HA TRP 43 HA TRP 43 6.129 3.473 0.975 324 1HB TRP 43 HB2 TRP 43 7.059 3.314 -1.891 325 2HB TRP 43 HB1 TRP 43 6.113 2.081 -1.063 326 HD1 TRP 43 HD1 TRP 43 5.761 5.879 -1.930 327 HE1 TRP 43 HE1 TRP 43 3.246 6.302 -2.340 328 HE3 TRP 43 HE3 TRP 43 3.946 1.250 -0.851 329 HZ2 TRP 43 HZ2 TRP 43 0.777 4.835 -2.219 330 HZ3 TRP 43 HZ3 TRP 43 1.523 0.777 -1.009 331 HH2 TRP 43 HH2 TRP 43 -0.057 2.559 -1.685 332 H THR 44 HN THR 44 6.841 1.588 1.722 333 HA THR 44 HA THR 44 9.368 0.487 0.689 334 HB THR 44 HB THR 44 9.770 -0.571 2.906 335 HG1 THR 44 HG1 THR 44 7.793 0.969 4.119 336 1HG2 THR 44 HG21 THR 44 10.246 1.422 4.343 337 2HG2 THR 44 HG22 THR 44 9.430 2.417 3.137 338 3HG2 THR 44 HG23 THR 44 10.894 1.532 2.706 339 H TYR 45 HN TYR 45 9.444 -1.725 0.803 340 HA TYR 45 HA TYR 45 6.906 -3.157 1.176 341 1HB TYR 45 HB2 TYR 45 6.999 -2.797 -1.228 342 2HB TYR 45 HB1 TYR 45 8.668 -3.369 -1.291 343 HD1 TYR 45 HD1 TYR 45 5.345 -4.535 0.047 344 HD2 TYR 45 HD2 TYR 45 8.989 -5.592 -1.972 345 HE1 TYR 45 HE1 TYR 45 4.556 -6.878 -0.151 346 HE2 TYR 45 HE2 TYR 45 8.196 -7.932 -2.175 347 HH TYR 45 HH TYR 45 5.384 -8.973 -2.038 348 H ASP 46 HN ASP 46 7.251 -4.968 2.359 349 HA ASP 46 HA ASP 46 10.026 -6.017 2.842 350 1HB ASP 46 HB2 ASP 46 9.033 -5.060 4.716 351 2HB ASP 46 HB1 ASP 46 7.727 -6.242 4.607 352 H ASP 47 HN ASP 47 10.119 -7.733 1.343 353 HA ASP 47 HA ASP 47 7.897 -9.189 0.376 354 1HB ASP 47 HB2 ASP 47 10.125 -8.893 -0.710 355 2HB ASP 47 HB1 ASP 47 10.678 -10.208 0.320 356 H ALA 48 HN ALA 48 9.822 -9.718 3.351 357 HA ALA 48 HA ALA 48 9.099 -12.406 3.635 358 1HB ALA 48 HB1 ALA 48 10.990 -11.247 4.829 359 2HB ALA 48 HB2 ALA 48 9.905 -12.059 5.959 360 3HB ALA 48 HB3 ALA 48 9.804 -10.312 5.740 361 H THR 49 HN THR 49 7.503 -9.462 4.642 362 HA THR 49 HA THR 49 5.313 -11.112 5.810 363 HB THR 49 HB THR 49 4.646 -9.053 7.009 364 HG1 THR 49 HG1 THR 49 5.418 -7.606 5.414 365 1HG2 THR 49 HG21 THR 49 6.585 -8.830 8.518 366 2HG2 THR 49 HG22 THR 49 7.607 -9.633 7.325 367 3HG2 THR 49 HG23 THR 49 6.299 -10.521 8.107 368 H LYS 50 HN LYS 50 5.941 -9.698 2.913 369 HA LYS 50 HA LYS 50 4.718 -8.965 1.258 370 1HB LYS 50 HB2 LYS 50 2.333 -10.338 2.586 371 2HB LYS 50 HB1 LYS 50 2.579 -10.093 0.862 372 1HG LYS 50 HG2 LYS 50 4.349 -11.835 2.594 373 2HG LYS 50 HG1 LYS 50 3.004 -12.441 1.632 374 1HD LYS 50 HD2 LYS 50 4.062 -11.685 -0.420 375 2HD LYS 50 HD1 LYS 50 5.360 -10.911 0.492 376 1HE LYS 50 HE2 LYS 50 5.999 -13.124 1.423 377 2HE LYS 50 HE1 LYS 50 4.752 -13.880 0.429 378 1HZ LYS 50 HZ1 LYS 50 5.840 -13.073 -1.541 379 2HZ LYS 50 HZ2 LYS 50 6.957 -13.948 -0.606 380 3HZ LYS 50 HZ3 LYS 50 7.001 -12.250 -0.619 381 H THR 51 HN THR 51 4.975 -7.169 3.201 382 HA THR 51 HA THR 51 2.395 -5.774 3.270 383 HB THR 51 HB THR 51 4.601 -5.683 5.363 384 HG1 THR 51 HG1 THR 51 2.475 -7.259 4.974 385 1HG2 THR 51 HG21 THR 51 1.971 -4.201 5.158 386 2HG2 THR 51 HG22 THR 51 3.586 -3.512 5.322 387 3HG2 THR 51 HG23 THR 51 2.857 -4.380 6.673 388 H PHE 52 HN PHE 52 2.333 -3.821 2.538 389 HA PHE 52 HA PHE 52 4.776 -2.333 1.699 390 1HB PHE 52 HB2 PHE 52 1.856 -2.041 0.941 391 2HB PHE 52 HB1 PHE 52 3.115 -0.915 0.469 392 HD1 PHE 52 HD1 PHE 52 1.848 -4.372 0.068 393 HD2 PHE 52 HD2 PHE 52 4.598 -1.385 -1.342 394 HE1 PHE 52 HE1 PHE 52 2.250 -5.711 -1.984 395 HE2 PHE 52 HE2 PHE 52 5.016 -2.732 -3.383 396 HZ PHE 52 HZ PHE 52 3.823 -4.882 -3.713 397 H THR 53 HN THR 53 5.026 -0.272 2.607 398 HA THR 53 HA THR 53 2.955 0.646 4.495 399 HB THR 53 HB THR 53 5.944 0.907 4.909 400 HG1 THR 53 HG1 THR 53 4.455 -0.541 6.685 401 1HG2 THR 53 HG21 THR 53 4.527 2.721 5.888 402 2HG2 THR 53 HG22 THR 53 5.342 1.747 7.112 403 3HG2 THR 53 HG23 THR 53 3.629 1.491 6.777 404 H VAL 54 HN VAL 54 2.510 2.794 4.228 405 HA VAL 54 HA VAL 54 4.280 4.415 2.486 406 HB VAL 54 HB VAL 54 2.414 3.879 1.141 407 1HG1 VAL 54 HG11 VAL 54 0.167 4.669 1.689 408 2HG1 VAL 54 HG12 VAL 54 0.741 5.292 3.236 409 3HG1 VAL 54 HG13 VAL 54 0.727 3.554 2.935 410 1HG2 VAL 54 HG21 VAL 54 3.585 6.119 1.097 411 2HG2 VAL 54 HG22 VAL 54 2.267 6.754 2.083 412 3HG2 VAL 54 HG23 VAL 54 1.940 6.141 0.462 413 H THR 55 HN THR 55 4.881 6.223 3.419 414 HA THR 55 HA THR 55 3.375 7.210 5.833 415 HB THR 55 HB THR 55 5.154 6.225 6.702 416 HG1 THR 55 HG1 THR 55 5.145 9.063 6.709 417 1HG2 THR 55 HG21 THR 55 7.398 6.889 6.327 418 2HG2 THR 55 HG22 THR 55 6.910 8.304 5.395 419 3HG2 THR 55 HG23 THR 55 6.724 6.690 4.709 420 H GLU 56 HN GLU 56 2.820 9.359 5.746 421 HA GLU 56 HA GLU 56 3.942 11.069 3.627 422 1HB GLU 56 HB2 GLU 56 1.526 11.341 5.418 423 2HB GLU 56 HB1 GLU 56 2.151 12.692 4.471 424 1HG GLU 56 HG2 GLU 56 2.001 11.234 2.427 425 2HG GLU 56 HG1 GLU 56 1.186 10.027 3.418
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