NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
2345 | 1bqx | 4229 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H ALA 1 1H ALA 1 -6.311 1.856 8.239 2 2H ALA 1 2H ALA 1 -6.281 3.368 8.364 3 3H ALA 1 3H ALA 1 -7.569 2.665 7.979 4 HA ALA 1 HA ALA 1 -7.012 2.631 5.658 5 1HB ALA 1 1HB ALA 1 -5.927 4.705 6.224 6 2HB ALA 1 2HB ALA 1 -4.406 3.843 6.571 7 3HB ALA 1 3HB ALA 1 -5.094 3.812 4.926 8 H TYR 2 H TYR 2 -5.753 1.493 4.047 9 HA TYR 2 HA TYR 2 -4.496 -0.975 5.142 10 1HB TYR 2 1HB TYR 2 -6.081 -0.323 2.650 11 2HB TYR 2 2HB TYR 2 -5.003 -1.703 2.690 12 HD1 TYR 2 HD1 TYR 2 -7.821 -0.196 4.683 13 HD2 TYR 2 HD2 TYR 2 -5.787 -3.786 3.414 14 HE1 TYR 2 HE1 TYR 2 -9.519 -1.557 5.830 15 HE2 TYR 2 HE2 TYR 2 -7.528 -5.153 4.519 16 HH TYR 2 HH TYR 2 -10.305 -3.679 6.216 17 H VAL 3 H VAL 3 -2.495 -1.563 4.567 18 HA VAL 3 HA VAL 3 -0.993 0.197 2.680 19 HB VAL 3 HB VAL 3 -0.024 -0.579 5.463 20 1HG1 VAL 3 1HG1 VAL 3 0.945 1.369 3.321 21 2HG1 VAL 3 2HG1 VAL 3 1.598 1.305 4.966 22 3HG1 VAL 3 3HG1 VAL 3 1.815 -0.068 3.893 23 1HG2 VAL 3 1HG2 VAL 3 -1.240 2.010 4.438 24 2HG2 VAL 3 2HG2 VAL 3 -1.903 0.990 5.739 25 3HG2 VAL 3 3HG2 VAL 3 -0.390 1.861 5.991 26 H ILE 4 H ILE 4 0.718 -0.674 1.598 27 HA ILE 4 HA ILE 4 0.933 -3.497 1.201 28 HB ILE 4 HB ILE 4 2.700 -2.832 -0.308 29 1HG1 ILE 4 1HG1 ILE 4 3.157 -0.341 -0.649 30 2HG1 ILE 4 2HG1 ILE 4 2.590 -0.079 0.994 31 1HG2 ILE 4 1HG2 ILE 4 0.310 -2.464 -0.965 32 2HG2 ILE 4 2HG2 ILE 4 0.522 -0.746 -0.569 33 3HG2 ILE 4 3HG2 ILE 4 1.487 -1.490 -1.853 34 1HD1 ILE 4 1HD1 ILE 4 4.851 -2.003 0.267 35 2HD1 ILE 4 2HD1 ILE 4 5.105 -0.276 0.597 36 3HD1 ILE 4 3HD1 ILE 4 4.502 -1.322 1.870 37 H THR 5 H THR 5 3.313 -4.480 1.333 38 HA THR 5 HA THR 5 4.852 -3.358 3.583 39 HB THR 5 HB THR 5 4.990 -5.560 4.729 40 HG1 THR 5 HG1 THR 5 2.609 -6.229 3.345 41 1HG2 THR 5 1HG2 THR 5 3.536 -3.707 5.524 42 2HG2 THR 5 2HG2 THR 5 2.154 -4.470 4.697 43 3HG2 THR 5 3HG2 THR 5 2.987 -5.344 5.987 44 H GLU 6 H GLU 6 5.211 -6.634 2.670 45 HA GLU 6 HA GLU 6 7.887 -6.010 1.435 46 1HB GLU 6 1HB GLU 6 8.108 -6.228 3.688 47 2HB GLU 6 2HB GLU 6 7.231 -7.727 3.806 48 1HG GLU 6 1HG GLU 6 9.017 -8.914 2.820 49 2HG GLU 6 2HG GLU 6 9.671 -7.476 2.073 50 HA PRO 7 HA PRO 7 6.730 -10.001 -0.715 51 1HB PRO 7 1HB PRO 7 4.037 -10.970 -0.155 52 2HB PRO 7 2HB PRO 7 5.597 -11.760 0.150 53 1HG PRO 7 1HG PRO 7 3.803 -10.643 2.086 54 2HG PRO 7 2HG PRO 7 5.444 -11.286 2.355 55 1HD PRO 7 1HD PRO 7 4.538 -8.478 2.207 56 2HD PRO 7 2HD PRO 7 6.040 -9.177 2.878 57 H CYS 8 H CYS 8 5.900 -7.232 -0.991 58 HA CYS 8 HA CYS 8 4.071 -7.344 -3.289 59 1HB CYS 8 1HB CYS 8 3.089 -5.972 -1.619 60 2HB CYS 8 2HB CYS 8 4.665 -5.355 -1.117 61 H ILE 9 H ILE 9 7.300 -6.456 -2.034 62 HA ILE 9 HA ILE 9 8.093 -4.712 -4.136 63 HB ILE 9 HB ILE 9 9.444 -6.361 -1.971 64 1HG1 ILE 9 1HG1 ILE 9 10.336 -3.782 -1.752 65 2HG1 ILE 9 2HG1 ILE 9 8.782 -3.497 -2.506 66 1HG2 ILE 9 1HG2 ILE 9 10.955 -4.817 -4.116 67 2HG2 ILE 9 2HG2 ILE 9 11.641 -5.479 -2.621 68 3HG2 ILE 9 3HG2 ILE 9 11.011 -6.575 -3.847 69 1HD1 ILE 9 1HD1 ILE 9 9.302 -5.060 0.038 70 2HD1 ILE 9 2HD1 ILE 9 8.647 -3.417 -0.057 71 3HD1 ILE 9 3HD1 ILE 9 7.684 -4.773 -0.672 72 H GLY 10 H GLY 10 9.046 -5.071 -6.114 73 1HA GLY 10 1HA GLY 10 9.871 -7.420 -7.295 74 2HA GLY 10 2HA GLY 10 8.109 -7.598 -7.280 75 H THR 11 H THR 11 10.509 -5.036 -8.001 76 HA THR 11 HA THR 11 10.327 -3.372 -9.559 77 HB THR 11 HB THR 11 11.280 -5.758 -11.046 78 HG1 THR 11 HG1 THR 11 12.206 -4.455 -8.735 79 1HG2 THR 11 1HG2 THR 11 12.183 -2.836 -10.927 80 2HG2 THR 11 2HG2 THR 11 13.012 -4.124 -11.822 81 3HG2 THR 11 3HG2 THR 11 11.383 -3.620 -12.309 82 H LYS 12 H LYS 12 8.237 -2.812 -9.777 83 HA LYS 12 HA LYS 12 6.761 -1.821 -10.988 84 1HB LYS 12 1HB LYS 12 8.663 -1.832 -12.748 85 2HB LYS 12 2HB LYS 12 7.733 -3.085 -13.559 86 1HG LYS 12 1HG LYS 12 7.103 -1.026 -14.594 87 2HG LYS 12 2HG LYS 12 5.748 -1.512 -13.579 88 1HD LYS 12 1HD LYS 12 5.986 0.833 -13.254 89 2HD LYS 12 2HD LYS 12 6.625 0.117 -11.796 90 1HE LYS 12 1HE LYS 12 8.981 0.325 -13.014 91 2HE LYS 12 2HE LYS 12 8.114 1.433 -14.090 92 1HZ LYS 12 1HZ LYS 12 7.500 2.678 -12.022 93 2HZ LYS 12 2HZ LYS 12 8.411 1.644 -11.164 94 3HZ LYS 12 3HZ LYS 12 9.134 2.620 -12.217 95 H CYS 13 H CYS 13 5.711 -3.535 -9.602 96 HA CYS 13 HA CYS 13 4.008 -5.478 -10.870 97 1HB CYS 13 1HB CYS 13 4.471 -5.351 -8.439 98 2HB CYS 13 2HB CYS 13 3.636 -3.793 -8.447 99 H ALA 14 H ALA 14 1.691 -5.115 -11.370 100 HA ALA 14 HA ALA 14 0.672 -2.363 -11.464 101 1HB ALA 14 1HB ALA 14 0.970 -3.987 -14.027 102 2HB ALA 14 2HB ALA 14 0.043 -2.482 -13.845 103 3HB ALA 14 3HB ALA 14 1.805 -2.467 -13.636 104 H SER 15 H SER 15 -0.898 -3.009 -10.027 105 HA SER 15 HA SER 15 -3.164 -4.407 -11.157 106 1HB SER 15 1HB SER 15 -1.781 -5.655 -8.750 107 2HB SER 15 2HB SER 15 -3.408 -6.060 -9.293 108 HG SER 15 HG SER 15 -1.598 -6.214 -11.319 109 H CYS 16 H CYS 16 -1.788 -3.404 -7.949 110 HA CYS 16 HA CYS 16 -4.275 -2.142 -7.133 111 1HB CYS 16 1HB CYS 16 -2.980 -1.365 -5.235 112 2HB CYS 16 2HB CYS 16 -2.869 -3.127 -5.454 113 H VAL 17 H VAL 17 -4.158 -1.053 -9.423 114 HA VAL 17 HA VAL 17 -3.013 1.688 -9.093 115 HB VAL 17 HB VAL 17 -3.045 0.106 -11.623 116 1HG1 VAL 17 1HG1 VAL 17 -3.325 2.574 -11.969 117 2HG1 VAL 17 2HG1 VAL 17 -1.876 2.850 -10.980 118 3HG1 VAL 17 3HG1 VAL 17 -1.754 2.001 -12.535 119 1HG2 VAL 17 1HG2 VAL 17 -0.797 0.765 -9.748 120 2HG2 VAL 17 2HG2 VAL 17 -1.349 -0.838 -10.260 121 3HG2 VAL 17 3HG2 VAL 17 -0.562 0.227 -11.430 122 H GLU 18 H GLU 18 -5.027 0.533 -11.820 123 HA GLU 18 HA GLU 18 -6.693 2.828 -11.446 124 1HB GLU 18 1HB GLU 18 -7.698 2.165 -13.513 125 2HB GLU 18 2HB GLU 18 -5.937 2.084 -13.617 126 1HG GLU 18 1HG GLU 18 -7.387 -0.441 -12.870 127 2HG GLU 18 2HG GLU 18 -7.576 0.146 -14.525 128 H VAL 19 H VAL 19 -6.993 1.049 -9.239 129 HA VAL 19 HA VAL 19 -9.884 0.309 -9.411 130 HB VAL 19 HB VAL 19 -8.372 -1.626 -9.261 131 1HG1 VAL 19 1HG1 VAL 19 -6.604 -0.417 -7.773 132 2HG1 VAL 19 2HG1 VAL 19 -7.667 -0.849 -6.418 133 3HG1 VAL 19 3HG1 VAL 19 -6.975 -2.112 -7.451 134 1HG2 VAL 19 1HG2 VAL 19 -10.150 -1.114 -6.838 135 2HG2 VAL 19 2HG2 VAL 19 -10.631 -1.809 -8.399 136 3HG2 VAL 19 3HG2 VAL 19 -9.542 -2.693 -7.316 137 H CYS 20 H CYS 20 -7.330 2.027 -7.542 138 HA CYS 20 HA CYS 20 -8.800 2.030 -5.181 139 1HB CYS 20 1HB CYS 20 -6.418 2.457 -5.229 140 2HB CYS 20 2HB CYS 20 -6.794 3.968 -6.070 141 HA PRO 21 HA PRO 21 -12.168 4.864 -6.181 142 1HB PRO 21 1HB PRO 21 -11.889 5.307 -3.195 143 2HB PRO 21 2HB PRO 21 -13.387 5.131 -4.151 144 1HG PRO 21 1HG PRO 21 -12.394 3.025 -2.750 145 2HG PRO 21 2HG PRO 21 -12.976 2.778 -4.425 146 1HD PRO 21 1HD PRO 21 -10.092 3.099 -3.508 147 2HD PRO 21 2HD PRO 21 -10.826 1.964 -4.686 148 H VAL 22 H VAL 22 -9.352 5.908 -4.217 149 HA VAL 22 HA VAL 22 -9.814 8.720 -5.104 150 HB VAL 22 HB VAL 22 -8.512 8.573 -2.490 151 1HG1 VAL 22 1HG1 VAL 22 -9.547 10.580 -3.529 152 2HG1 VAL 22 2HG1 VAL 22 -11.144 9.805 -3.404 153 3HG1 VAL 22 3HG1 VAL 22 -10.233 10.216 -1.935 154 1HG2 VAL 22 1HG2 VAL 22 -11.307 7.412 -2.539 155 2HG2 VAL 22 2HG2 VAL 22 -9.805 6.560 -2.058 156 3HG2 VAL 22 3HG2 VAL 22 -10.385 7.947 -1.132 157 H ASP 23 H ASP 23 -8.089 6.601 -6.238 158 HA ASP 23 HA ASP 23 -5.913 6.296 -6.897 159 1HB ASP 23 1HB ASP 23 -7.006 7.947 -8.395 160 2HB ASP 23 2HB ASP 23 -6.324 9.266 -7.421 161 H CYS 24 H CYS 24 -5.315 6.030 -4.456 162 HA CYS 24 HA CYS 24 -3.164 8.014 -3.774 163 1HB CYS 24 1HB CYS 24 -3.560 7.702 -1.508 164 2HB CYS 24 2HB CYS 24 -5.130 8.057 -2.270 165 HG CYS 24 HG CYS 24 -3.809 5.343 -1.031 166 H ILE 25 H ILE 25 -2.907 5.805 -5.541 167 HA ILE 25 HA ILE 25 -1.009 4.026 -4.108 168 HB ILE 25 HB ILE 25 -1.445 2.617 -6.323 169 1HG1 ILE 25 1HG1 ILE 25 -3.820 2.425 -6.827 170 2HG1 ILE 25 2HG1 ILE 25 -4.203 3.855 -5.877 171 1HG2 ILE 25 1HG2 ILE 25 -3.238 2.632 -3.879 172 2HG2 ILE 25 2HG2 ILE 25 -3.061 1.255 -4.977 173 3HG2 ILE 25 3HG2 ILE 25 -1.664 1.805 -4.051 174 1HD1 ILE 25 1HD1 ILE 25 -2.388 3.871 -8.335 175 2HD1 ILE 25 2HD1 ILE 25 -4.124 4.237 -8.361 176 3HD1 ILE 25 3HD1 ILE 25 -3.030 5.292 -7.480 177 H HIS 26 H HIS 26 1.029 4.642 -4.444 178 HA HIS 26 HA HIS 26 1.769 6.197 -6.882 179 1HB HIS 26 1HB HIS 26 2.641 6.304 -3.958 180 2HB HIS 26 2HB HIS 26 3.211 7.356 -5.264 181 HD1 HIS 26 HD1 HIS 26 0.956 8.752 -6.505 182 HD2 HIS 26 HD2 HIS 26 0.509 7.124 -2.654 183 HE1 HIS 26 HE1 HIS 26 -1.125 9.822 -5.496 184 H GLU 27 H GLU 27 3.904 5.713 -7.710 185 HA GLU 27 HA GLU 27 4.990 3.115 -6.861 186 1HB GLU 27 1HB GLU 27 5.700 5.009 -9.109 187 2HB GLU 27 2HB GLU 27 6.687 3.601 -8.694 188 1HG GLU 27 1HG GLU 27 4.862 2.068 -9.007 189 2HG GLU 27 2HG GLU 27 3.754 3.408 -9.304 190 H GLY 28 H GLY 28 6.780 2.712 -5.816 191 1HA GLY 28 1HA GLY 28 8.693 4.887 -5.009 192 2HA GLY 28 2HA GLY 28 8.467 3.339 -4.165 193 H GLU 29 H GLU 29 8.489 4.073 -7.583 194 HA GLU 29 HA GLU 29 9.369 3.423 -9.363 195 1HB GLU 29 1HB GLU 29 11.572 3.964 -7.864 196 2HB GLU 29 2HB GLU 29 11.904 2.284 -8.195 197 1HG GLU 29 1HG GLU 29 12.278 4.694 -9.824 198 2HG GLU 29 2HG GLU 29 13.096 3.142 -9.861 199 H ASP 30 H ASP 30 10.345 1.054 -6.938 200 HA ASP 30 HA ASP 30 10.187 -1.212 -8.768 201 1HB ASP 30 1HB ASP 30 11.862 -1.181 -6.983 202 2HB ASP 30 2HB ASP 30 10.593 -1.098 -5.750 203 H GLN 31 H GLN 31 7.991 0.213 -6.339 204 HA GLN 31 HA GLN 31 5.987 -1.900 -6.791 205 1HB GLN 31 1HB GLN 31 5.900 -2.224 -4.274 206 2HB GLN 31 2HB GLN 31 7.337 -2.858 -5.050 207 1HG GLN 31 1HG GLN 31 8.758 -1.463 -4.008 208 2HG GLN 31 2HG GLN 31 7.742 -0.042 -4.185 209 1HE2 GLN 31 2HE2 GLN 31 5.446 -0.771 -2.829 210 2HE2 GLN 31 1HE2 GLN 31 5.853 -0.952 -1.136 211 H TYR 32 H TYR 32 3.930 -1.246 -5.893 212 HA TYR 32 HA TYR 32 3.596 1.646 -5.831 213 1HB TYR 32 1HB TYR 32 1.709 -0.679 -5.750 214 2HB TYR 32 2HB TYR 32 1.165 0.923 -5.295 215 HD1 TYR 32 HD1 TYR 32 2.817 -0.928 -8.136 216 HD2 TYR 32 HD2 TYR 32 0.771 2.636 -6.857 217 HE1 TYR 32 HE1 TYR 32 2.895 -0.024 -10.448 218 HE2 TYR 32 HE2 TYR 32 0.677 3.433 -9.199 219 HH TYR 32 HH TYR 32 2.691 2.243 -11.575 220 H TYR 33 H TYR 33 2.651 2.752 -4.157 221 HA TYR 33 HA TYR 33 3.037 1.885 -1.336 222 1HB TYR 33 1HB TYR 33 4.212 4.169 -2.947 223 2HB TYR 33 2HB TYR 33 3.649 4.537 -1.352 224 HD1 TYR 33 HD1 TYR 33 4.736 3.548 0.625 225 HD2 TYR 33 HD2 TYR 33 6.160 2.715 -3.335 226 HE1 TYR 33 HE1 TYR 33 6.574 2.165 1.587 227 HE2 TYR 33 HE2 TYR 33 8.161 1.599 -2.371 228 HH TYR 33 HH TYR 33 8.665 0.219 -0.419 229 H ILE 34 H ILE 34 1.119 2.216 -0.280 230 HA ILE 34 HA ILE 34 -0.983 3.737 -1.616 231 HB ILE 34 HB ILE 34 -0.929 1.726 0.637 232 1HG1 ILE 34 1HG1 ILE 34 -2.640 1.763 -1.888 233 2HG1 ILE 34 2HG1 ILE 34 -1.034 1.029 -1.863 234 1HG2 ILE 34 1HG2 ILE 34 -3.154 3.640 -0.140 235 2HG2 ILE 34 2HG2 ILE 34 -3.456 2.148 0.756 236 3HG2 ILE 34 3HG2 ILE 34 -2.445 3.387 1.469 237 1HD1 ILE 34 1HD1 ILE 34 -1.769 -0.465 -0.021 238 2HD1 ILE 34 2HD1 ILE 34 -3.418 0.173 -0.175 239 3HD1 ILE 34 3HD1 ILE 34 -2.677 -0.671 -1.535 240 H ASP 35 H ASP 35 -1.479 5.879 -0.764 241 HA ASP 35 HA ASP 35 0.005 6.714 1.635 242 1HB ASP 35 1HB ASP 35 -0.759 8.417 -0.145 243 2HB ASP 35 2HB ASP 35 -2.363 8.231 0.567 244 HA PRO 36 HA PRO 36 -3.341 4.607 3.923 245 1HB PRO 36 1HB PRO 36 -2.505 5.131 6.493 246 2HB PRO 36 2HB PRO 36 -1.855 3.821 5.498 247 1HG PRO 36 1HG PRO 36 -0.677 6.579 5.921 248 2HG PRO 36 2HG PRO 36 0.174 5.002 5.966 249 1HD PRO 36 1HD PRO 36 0.226 6.584 3.781 250 2HD PRO 36 2HD PRO 36 0.065 4.804 3.635 251 H ASP 37 H ASP 37 -2.132 7.944 4.257 252 HA ASP 37 HA ASP 37 -4.323 8.724 6.034 253 1HB ASP 37 1HB ASP 37 -2.183 10.404 4.729 254 2HB ASP 37 2HB ASP 37 -3.215 10.844 6.098 255 H VAL 38 H VAL 38 -3.769 8.513 2.578 256 HA VAL 38 HA VAL 38 -6.185 10.189 2.091 257 HB VAL 38 HB VAL 38 -4.260 9.010 0.078 258 1HG1 VAL 38 1HG1 VAL 38 -6.538 11.019 -0.205 259 2HG1 VAL 38 2HG1 VAL 38 -5.382 10.582 -1.479 260 3HG1 VAL 38 3HG1 VAL 38 -6.518 9.374 -0.869 261 1HG2 VAL 38 1HG2 VAL 38 -4.545 11.852 1.146 262 2HG2 VAL 38 2HG2 VAL 38 -3.175 10.771 1.456 263 3HG2 VAL 38 3HG2 VAL 38 -3.486 11.340 -0.185 264 H CYS 39 H CYS 39 -5.059 6.771 1.977 265 HA CYS 39 HA CYS 39 -7.239 5.669 0.603 266 1HB CYS 39 1HB CYS 39 -5.315 4.330 1.171 267 2HB CYS 39 2HB CYS 39 -5.584 4.649 2.880 268 H ILE 40 H ILE 40 -9.349 5.395 1.049 269 HA ILE 40 HA ILE 40 -10.420 6.402 3.612 270 HB ILE 40 HB ILE 40 -12.585 6.319 2.405 271 1HG1 ILE 40 1HG1 ILE 40 -11.011 5.711 -0.131 272 2HG1 ILE 40 2HG1 ILE 40 -11.773 4.424 0.803 273 1HG2 ILE 40 1HG2 ILE 40 -10.321 7.845 1.067 274 2HG2 ILE 40 2HG2 ILE 40 -12.049 8.224 0.909 275 3HG2 ILE 40 3HG2 ILE 40 -11.250 8.347 2.481 276 1HD1 ILE 40 1HD1 ILE 40 -13.972 5.535 0.582 277 2HD1 ILE 40 2HD1 ILE 40 -13.229 6.783 -0.447 278 3HD1 ILE 40 3HD1 ILE 40 -13.255 5.091 -0.977 279 H ASP 41 H ASP 41 -9.065 3.927 3.853 280 HA ASP 41 HA ASP 41 -9.302 1.746 4.526 281 1HB ASP 41 1HB ASP 41 -11.197 3.419 6.152 282 2HB ASP 41 2HB ASP 41 -11.289 1.673 6.372 283 H CYS 42 H CYS 42 -10.045 1.494 2.171 284 HA CYS 42 HA CYS 42 -12.609 -0.037 2.169 285 1HB CYS 42 1HB CYS 42 -13.015 0.429 0.105 286 2HB CYS 42 2HB CYS 42 -12.098 1.878 0.449 287 H GLY 43 H GLY 43 -11.982 -1.850 0.108 288 1HA GLY 43 1HA GLY 43 -9.595 -3.353 1.114 289 2HA GLY 43 2HA GLY 43 -11.190 -4.107 1.244 290 H ALA 44 H ALA 44 -10.512 -2.023 -1.489 291 HA ALA 44 HA ALA 44 -11.020 -4.219 -3.323 292 1HB ALA 44 1HB ALA 44 -11.910 -1.959 -3.703 293 2HB ALA 44 2HB ALA 44 -10.262 -1.318 -3.877 294 3HB ALA 44 3HB ALA 44 -10.889 -2.500 -5.047 295 H CYS 45 H CYS 45 -8.243 -2.002 -2.840 296 HA CYS 45 HA CYS 45 -6.545 -3.059 -4.751 297 1HB CYS 45 1HB CYS 45 -4.754 -1.948 -3.524 298 2HB CYS 45 2HB CYS 45 -6.159 -0.961 -3.819 299 H GLU 46 H GLU 46 -6.734 -4.097 -1.290 300 HA GLU 46 HA GLU 46 -4.801 -6.140 -1.461 301 1HB GLU 46 1HB GLU 46 -5.775 -5.547 0.713 302 2HB GLU 46 2HB GLU 46 -7.375 -6.003 0.155 303 1HG GLU 46 1HG GLU 46 -6.478 -7.625 1.711 304 2HG GLU 46 2HG GLU 46 -6.802 -8.364 0.149 305 H ALA 47 H ALA 47 -8.337 -6.386 -2.130 306 HA ALA 47 HA ALA 47 -8.314 -9.143 -2.819 307 1HB ALA 47 1HB ALA 47 -10.372 -7.870 -2.336 308 2HB ALA 47 2HB ALA 47 -10.164 -6.944 -3.839 309 3HB ALA 47 3HB ALA 47 -10.461 -8.691 -3.908 310 H VAL 48 H VAL 48 -7.513 -6.239 -4.685 311 HA VAL 48 HA VAL 48 -7.285 -7.683 -7.211 312 HB VAL 48 HB VAL 48 -6.859 -4.866 -6.257 313 1HG1 VAL 48 1HG1 VAL 48 -5.904 -5.931 -8.940 314 2HG1 VAL 48 2HG1 VAL 48 -6.196 -4.224 -8.552 315 3HG1 VAL 48 3HG1 VAL 48 -4.935 -5.109 -7.683 316 1HG2 VAL 48 1HG2 VAL 48 -9.108 -5.717 -6.937 317 2HG2 VAL 48 2HG2 VAL 48 -8.511 -4.454 -8.035 318 3HG2 VAL 48 3HG2 VAL 48 -8.447 -6.145 -8.532 319 H CYS 49 H CYS 49 -4.950 -6.761 -4.627 320 HA CYS 49 HA CYS 49 -2.635 -7.266 -6.165 321 1HB CYS 49 1HB CYS 49 -2.673 -6.163 -3.929 322 2HB CYS 49 2HB CYS 49 -2.950 -7.758 -3.204 323 HA PRO 50 HA PRO 50 -3.793 -11.589 -6.638 324 1HB PRO 50 1HB PRO 50 -2.003 -12.416 -8.517 325 2HB PRO 50 2HB PRO 50 -3.241 -11.181 -8.865 326 1HG PRO 50 1HG PRO 50 -0.360 -10.693 -8.036 327 2HG PRO 50 2HG PRO 50 -1.203 -10.035 -9.472 328 1HD PRO 50 1HD PRO 50 -1.015 -8.627 -7.148 329 2HD PRO 50 2HD PRO 50 -2.493 -8.565 -8.152 330 H VAL 51 H VAL 51 -1.922 -10.764 -4.423 331 HA VAL 51 HA VAL 51 -0.493 -13.321 -3.972 332 HB VAL 51 HB VAL 51 1.455 -12.295 -3.460 333 1HG1 VAL 51 1HG1 VAL 51 0.975 -11.506 -5.784 334 2HG1 VAL 51 2HG1 VAL 51 0.336 -9.984 -5.102 335 3HG1 VAL 51 3HG1 VAL 51 2.038 -10.416 -4.880 336 1HG2 VAL 51 1HG2 VAL 51 -0.079 -9.852 -2.499 337 2HG2 VAL 51 2HG2 VAL 51 0.802 -11.072 -1.542 338 3HG2 VAL 51 3HG2 VAL 51 1.688 -9.951 -2.576 339 H SER 52 H SER 52 -2.551 -10.690 -2.805 340 HA SER 52 HA SER 52 -3.507 -10.148 -0.938 341 1HB SER 52 1HB SER 52 -3.082 -13.016 -0.080 342 2HB SER 52 2HB SER 52 -4.219 -11.845 0.621 343 HG SER 52 HG SER 52 -4.942 -11.676 -1.722 344 H ALA 53 H ALA 53 -2.301 -8.653 0.054 345 HA ALA 53 HA ALA 53 -0.251 -9.383 2.029 346 1HB ALA 53 1HB ALA 53 0.615 -8.058 -0.564 347 2HB ALA 53 2HB ALA 53 1.596 -8.137 0.915 348 3HB ALA 53 3HB ALA 53 1.148 -9.629 0.093 349 H ILE 54 H ILE 54 -2.364 -7.010 0.539 350 HA ILE 54 HA ILE 54 -1.180 -4.761 2.007 351 HB ILE 54 HB ILE 54 -3.763 -4.922 0.436 352 1HG1 ILE 54 1HG1 ILE 54 -0.980 -4.258 -0.558 353 2HG1 ILE 54 2HG1 ILE 54 -2.003 -5.599 -1.072 354 1HG2 ILE 54 1HG2 ILE 54 -3.273 -3.008 2.116 355 2HG2 ILE 54 2HG2 ILE 54 -2.025 -2.505 0.969 356 3HG2 ILE 54 3HG2 ILE 54 -3.733 -2.541 0.477 357 1HD1 ILE 54 1HD1 ILE 54 -3.674 -3.468 -1.587 358 2HD1 ILE 54 2HD1 ILE 54 -2.064 -2.808 -1.968 359 3HD1 ILE 54 3HD1 ILE 54 -2.638 -4.275 -2.760 360 H TYR 55 H TYR 55 -1.687 -4.548 4.206 361 HA TYR 55 HA TYR 55 -4.328 -5.575 5.146 362 1HB TYR 55 1HB TYR 55 -1.559 -5.909 6.348 363 2HB TYR 55 2HB TYR 55 -3.007 -6.076 7.298 364 HD1 TYR 55 HD1 TYR 55 -4.891 -7.655 5.989 365 HD2 TYR 55 HD2 TYR 55 -0.611 -7.927 5.515 366 HE1 TYR 55 HE1 TYR 55 -5.177 -9.511 4.389 367 HE2 TYR 55 HE2 TYR 55 -0.910 -9.962 4.135 368 HH TYR 55 HH TYR 55 -3.831 -10.309 2.442 369 H HIS 56 H HIS 56 -4.859 -4.677 7.280 370 HA HIS 56 HA HIS 56 -4.863 -1.848 7.029 371 1HB HIS 56 1HB HIS 56 -6.486 -3.441 8.403 372 2HB HIS 56 2HB HIS 56 -5.271 -3.285 9.666 373 HD1 HIS 56 HD1 HIS 56 -5.884 -1.401 11.333 374 HD2 HIS 56 HD2 HIS 56 -7.132 -0.708 7.384 375 HE1 HIS 56 HE1 HIS 56 -6.887 0.937 11.295 376 H GLU 57 H GLU 57 -3.638 -0.230 8.060 377 HA GLU 57 HA GLU 57 -1.036 -0.817 8.584 378 1HB GLU 57 1HB GLU 57 -0.950 1.486 9.501 379 2HB GLU 57 2HB GLU 57 -1.965 1.426 8.046 380 1HG GLU 57 1HG GLU 57 -3.871 1.086 9.730 381 2HG GLU 57 2HG GLU 57 -2.689 1.660 10.928 382 H ASP 58 H ASP 58 -3.588 -0.706 10.885 383 HA ASP 58 HA ASP 58 -2.052 -1.227 13.214 384 1HB ASP 58 1HB ASP 58 -4.465 -0.592 13.273 385 2HB ASP 58 2HB ASP 58 -4.847 -2.216 12.628 386 H PHE 59 H PHE 59 -3.094 -3.387 10.636 387 HA PHE 59 HA PHE 59 -2.899 -5.809 12.310 388 1HB PHE 59 1HB PHE 59 -3.574 -5.282 9.392 389 2HB PHE 59 2HB PHE 59 -3.482 -6.858 10.129 390 HD1 PHE 59 HD1 PHE 59 -4.967 -4.831 12.652 391 HD2 PHE 59 HD2 PHE 59 -5.810 -6.701 8.836 392 HE1 PHE 59 HE1 PHE 59 -7.361 -4.579 13.054 393 HE2 PHE 59 HE2 PHE 59 -8.234 -6.438 9.264 394 HZ PHE 59 HZ PHE 59 -9.020 -5.362 11.364 395 H VAL 60 H VAL 60 -1.129 -4.097 9.740 396 HA VAL 60 HA VAL 60 0.670 -6.104 9.038 397 HB VAL 60 HB VAL 60 0.946 -3.093 9.160 398 1HG1 VAL 60 1HG1 VAL 60 2.969 -5.171 8.259 399 2HG1 VAL 60 2HG1 VAL 60 3.017 -3.477 7.736 400 3HG1 VAL 60 3HG1 VAL 60 3.205 -3.865 9.443 401 1HG2 VAL 60 1HG2 VAL 60 0.601 -5.195 6.961 402 2HG2 VAL 60 2HG2 VAL 60 -0.595 -3.990 7.480 403 3HG2 VAL 60 3HG2 VAL 60 0.868 -3.486 6.637 404 HA PRO 61 HA PRO 61 2.604 -6.948 13.007 405 1HB PRO 61 1HB PRO 61 4.860 -7.914 11.235 406 2HB PRO 61 2HB PRO 61 4.159 -8.710 12.669 407 1HG PRO 61 1HG PRO 61 3.467 -9.530 10.173 408 2HG PRO 61 2HG PRO 61 2.208 -9.352 11.434 409 1HD PRO 61 1HD PRO 61 2.884 -7.444 9.189 410 2HD PRO 61 2HD PRO 61 1.293 -7.983 9.821 411 H GLU 62 H GLU 62 4.149 -5.923 14.382 412 HA GLU 62 HA GLU 62 5.228 -3.510 14.118 413 1HB GLU 62 1HB GLU 62 5.676 -6.029 15.650 414 2HB GLU 62 2HB GLU 62 6.766 -4.700 15.868 415 1HG GLU 62 1HG GLU 62 4.840 -4.702 17.499 416 2HG GLU 62 2HG GLU 62 4.951 -3.211 16.552 417 H GLU 63 H GLU 63 7.008 -6.521 13.237 418 HA GLU 63 HA GLU 63 9.462 -5.398 12.520 419 1HB GLU 63 1HB GLU 63 7.961 -7.533 10.963 420 2HB GLU 63 2HB GLU 63 9.701 -7.245 10.997 421 1HG GLU 63 1HG GLU 63 9.632 -8.956 12.493 422 2HG GLU 63 2HG GLU 63 9.338 -7.655 13.649 423 H TRP 64 H TRP 64 6.417 -5.458 10.728 424 HA TRP 64 HA TRP 64 7.547 -3.946 8.439 425 1HB TRP 64 1HB TRP 64 5.136 -5.724 8.804 426 2HB TRP 64 2HB TRP 64 5.406 -4.764 7.354 427 HD1 TRP 64 HD1 TRP 64 8.755 -5.749 7.817 428 HE1 TRP 64 HE1 TRP 64 9.339 -7.859 6.454 429 HE3 TRP 64 HE3 TRP 64 4.026 -7.581 6.945 430 HZ2 TRP 64 HZ2 TRP 64 8.026 -10.057 5.316 431 HZ3 TRP 64 HZ3 TRP 64 3.749 -9.625 5.574 432 HH2 TRP 64 HH2 TRP 64 5.781 -10.783 4.643 433 H LYS 65 H LYS 65 5.787 -3.211 11.335 434 HA LYS 65 HA LYS 65 4.042 -1.212 10.420 435 1HB LYS 65 1HB LYS 65 5.769 -1.658 12.876 436 2HB LYS 65 2HB LYS 65 4.824 -0.251 12.706 437 1HG LYS 65 1HG LYS 65 3.630 -3.036 12.683 438 2HG LYS 65 2HG LYS 65 3.723 -1.943 14.086 439 1HD LYS 65 1HD LYS 65 2.423 -0.289 12.535 440 2HD LYS 65 2HD LYS 65 1.998 -1.768 11.646 441 1HE LYS 65 1HE LYS 65 1.451 -1.177 14.609 442 2HE LYS 65 2HE LYS 65 0.272 -1.183 13.299 443 1HZ LYS 65 1HZ LYS 65 1.197 -3.620 13.065 444 2HZ LYS 65 2HZ LYS 65 1.519 -3.402 14.668 445 3HZ LYS 65 3HZ LYS 65 -0.032 -3.265 14.077 446 H SER 66 H SER 66 7.607 -1.379 10.658 447 HA SER 66 HA SER 66 8.472 1.140 10.169 448 1HB SER 66 1HB SER 66 9.416 -1.162 8.511 449 2HB SER 66 2HB SER 66 10.366 0.110 9.292 450 HG SER 66 HG SER 66 9.655 -2.321 10.287 451 H TYR 67 H TYR 67 6.886 -1.049 7.762 452 HA TYR 67 HA TYR 67 7.247 0.802 5.564 453 1HB TYR 67 1HB TYR 67 5.373 -1.554 5.902 454 2HB TYR 67 2HB TYR 67 5.456 -0.524 4.482 455 HD1 TYR 67 HD1 TYR 67 7.636 -0.377 3.157 456 HD2 TYR 67 HD2 TYR 67 6.966 -3.358 6.196 457 HE1 TYR 67 HE1 TYR 67 9.499 -1.736 2.245 458 HE2 TYR 67 HE2 TYR 67 8.867 -4.684 5.312 459 HH TYR 67 HH TYR 67 10.445 -4.908 3.609 460 H ILE 68 H ILE 68 4.720 0.442 8.150 461 HA ILE 68 HA ILE 68 2.743 1.995 6.719 462 HB ILE 68 HB ILE 68 3.205 1.048 9.568 463 1HG1 ILE 68 1HG1 ILE 68 1.234 -0.155 9.294 464 2HG1 ILE 68 2HG1 ILE 68 0.790 0.695 7.803 465 1HG2 ILE 68 1HG2 ILE 68 1.095 3.021 8.717 466 2HG2 ILE 68 2HG2 ILE 68 1.141 2.116 10.257 467 3HG2 ILE 68 3HG2 ILE 68 2.416 3.276 9.893 468 1HD1 ILE 68 1HD1 ILE 68 3.135 -1.208 8.097 469 2HD1 ILE 68 2HD1 ILE 68 1.541 -1.585 7.409 470 3HD1 ILE 68 3HD1 ILE 68 2.584 -0.445 6.578 471 H GLN 69 H GLN 69 5.298 2.618 9.134 472 HA GLN 69 HA GLN 69 4.950 5.410 9.231 473 1HB GLN 69 1HB GLN 69 6.417 3.979 10.734 474 2HB GLN 69 2HB GLN 69 7.611 3.937 9.431 475 1HG GLN 69 1HG GLN 69 8.249 5.633 10.997 476 2HG GLN 69 2HG GLN 69 7.722 6.460 9.526 477 1HE2 GLN 69 2HE2 GLN 69 5.746 7.711 9.596 478 2HE2 GLN 69 1HE2 GLN 69 4.991 8.088 11.141 479 H LYS 70 H LYS 70 6.963 3.431 6.981 480 HA LYS 70 HA LYS 70 8.006 5.662 5.609 481 1HB LYS 70 1HB LYS 70 8.866 3.246 5.486 482 2HB LYS 70 2HB LYS 70 7.479 2.894 4.468 483 1HG LYS 70 1HG LYS 70 9.379 3.226 3.020 484 2HG LYS 70 2HG LYS 70 8.233 4.515 2.803 485 1HD LYS 70 1HD LYS 70 10.005 5.547 4.789 486 2HD LYS 70 2HD LYS 70 11.028 4.566 3.761 487 1HE LYS 70 1HE LYS 70 11.039 6.800 2.866 488 2HE LYS 70 2HE LYS 70 10.131 5.783 1.744 489 1HZ LYS 70 1HZ LYS 70 8.084 6.709 3.022 490 2HZ LYS 70 2HZ LYS 70 9.139 7.803 3.638 491 3HZ LYS 70 3HZ LYS 70 8.905 7.734 2.030 492 H ASN 71 H ASN 71 5.210 3.677 4.886 493 HA ASN 71 HA ASN 71 4.314 4.957 2.511 494 1HB ASN 71 1HB ASN 71 2.966 3.323 4.608 495 2HB ASN 71 2HB ASN 71 2.017 4.125 3.378 496 1HD2 ASN 71 2HD2 ASN 71 4.622 1.728 3.773 497 2HD2 ASN 71 1HD2 ASN 71 4.306 0.924 2.240 498 H ARG 72 H ARG 72 3.638 5.778 5.969 499 HA ARG 72 HA ARG 72 1.801 7.881 5.612 500 1HB ARG 72 1HB ARG 72 2.563 6.604 7.638 501 2HB ARG 72 2HB ARG 72 3.994 7.593 7.692 502 1HG ARG 72 1HG ARG 72 2.971 9.255 8.730 503 2HG ARG 72 2HG ARG 72 1.663 9.318 7.538 504 1HD ARG 72 1HD ARG 72 1.854 7.200 9.705 505 2HD ARG 72 2HD ARG 72 0.934 8.709 9.870 506 HE ARG 72 HE ARG 72 -0.136 7.952 7.615 507 1HH1 ARG 72 1HH1 ARG 72 0.700 5.413 9.999 508 2HH1 ARG 72 2HH1 ARG 72 -0.940 4.740 9.892 509 1HH2 ARG 72 1HH2 ARG 72 -2.357 7.278 8.099 510 2HH2 ARG 72 2HH2 ARG 72 -2.539 5.631 8.832 511 H ASP 73 H ASP 73 5.288 7.772 6.090 512 HA ASP 73 HA ASP 73 5.947 10.451 6.041 513 1HB ASP 73 1HB ASP 73 7.267 8.692 7.038 514 2HB ASP 73 2HB ASP 73 7.374 7.823 5.519 515 H PHE 74 H PHE 74 6.013 8.080 3.389 516 HA PHE 74 HA PHE 74 7.391 9.260 1.344 517 1HB PHE 74 1HB PHE 74 5.096 7.479 1.470 518 2HB PHE 74 2HB PHE 74 5.109 8.516 0.058 519 HD1 PHE 74 HD1 PHE 74 6.924 8.556 -1.583 520 HD2 PHE 74 HD2 PHE 74 6.553 5.517 1.433 521 HE1 PHE 74 HE1 PHE 74 8.490 7.099 -2.834 522 HE2 PHE 74 HE2 PHE 74 8.388 4.224 0.352 523 HZ PHE 74 HZ PHE 74 9.291 4.963 -1.809 524 H PHE 75 H PHE 75 4.023 10.051 2.116 525 HA PHE 75 HA PHE 75 4.099 12.307 0.193 526 1HB PHE 75 1HB PHE 75 1.714 11.194 1.556 527 2HB PHE 75 2HB PHE 75 1.783 12.070 0.042 528 HD1 PHE 75 HD1 PHE 75 3.149 10.925 -1.908 529 HD2 PHE 75 HD2 PHE 75 1.779 8.789 1.583 530 HE1 PHE 75 HE1 PHE 75 3.637 8.764 -3.022 531 HE2 PHE 75 HE2 PHE 75 2.185 6.644 0.436 532 HZ PHE 75 HZ PHE 75 3.166 6.627 -1.845 533 H LYS 76 H LYS 76 4.058 11.718 3.645 534 HA LYS 76 HA LYS 76 3.220 14.507 4.278 535 1HB LYS 76 1HB LYS 76 4.008 12.064 5.907 536 2HB LYS 76 2HB LYS 76 4.197 13.682 6.547 537 1HG LYS 76 1HG LYS 76 2.220 13.216 7.398 538 2HG LYS 76 2HG LYS 76 1.673 14.071 5.955 539 1HD LYS 76 1HD LYS 76 1.937 11.053 6.206 540 2HD LYS 76 2HD LYS 76 0.475 11.880 6.705 541 1HE LYS 76 1HE LYS 76 -0.250 12.316 4.574 542 2HE LYS 76 2HE LYS 76 1.363 12.382 3.882 543 1HZ LYS 76 1HZ LYS 76 0.037 9.907 4.797 544 2HZ LYS 76 2HZ LYS 76 0.151 10.377 3.239 545 3HZ LYS 76 3HZ LYS 76 1.530 10.010 4.103 546 H LYS 77 H LYS 77 4.896 15.404 2.732 547 HA LYS 77 HA LYS 77 7.509 15.668 3.962 548 1HB LYS 77 1HB LYS 77 7.321 13.407 2.581 549 2HB LYS 77 2HB LYS 77 7.196 14.455 1.188 550 1HG LYS 77 1HG LYS 77 9.478 13.743 1.379 551 2HG LYS 77 2HG LYS 77 9.384 15.470 1.718 552 1HD LYS 77 1HD LYS 77 10.954 14.392 3.191 553 2HD LYS 77 2HD LYS 77 9.644 15.059 4.141 554 1HE LYS 77 1HE LYS 77 9.810 12.084 3.331 555 2HE LYS 77 2HE LYS 77 10.532 12.742 4.799 556 1HZ LYS 77 1HZ LYS 77 8.099 13.537 5.255 557 2HZ LYS 77 2HZ LYS 77 7.721 12.369 4.202 558 3HZ LYS 77 3HZ LYS 77 8.596 11.982 5.508
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