NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
3971 | 1ehj | 4743 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H ALA 1 H1 ALA 1 11.022 4.025 -6.275 2 2H ALA 1 H2 ALA 1 9.852 4.551 -7.306 3 3H ALA 1 H3 ALA 1 9.852 4.551 -7.306 4 HA ALA 1 HA ALA 1 11.259 2.224 -7.485 5 1HB ALA 1 HB1 ALA 1 12.009 2.384 -9.834 6 2HB ALA 1 HB2 ALA 1 11.591 4.110 -9.874 7 3HB ALA 1 HB3 ALA 1 12.910 3.534 -8.831 8 H ASP 2 H ASP 2 10.059 1.202 -9.756 9 HA ASP 2 HA ASP 2 7.346 2.142 -9.909 10 1HB ASP 2 HB2 ASP 2 7.409 0.455 -11.830 11 2HB ASP 2 HB3 ASP 2 8.667 1.688 -12.005 12 H VAL 3 H VAL 3 9.333 -0.659 -8.954 13 HA VAL 3 HA VAL 3 7.030 -1.399 -7.169 14 HB VAL 3 HB VAL 3 7.377 -3.120 -8.850 15 1HG1 VAL 3 HG11 VAL 3 10.173 -3.488 -7.689 16 2HG1 VAL 3 HG12 VAL 3 9.380 -4.513 -8.899 17 3HG1 VAL 3 HG13 VAL 3 9.796 -2.842 -9.302 18 1HG2 VAL 3 HG21 VAL 3 6.572 -3.705 -6.586 19 2HG2 VAL 3 HG22 VAL 3 7.482 -5.021 -7.342 20 3HG2 VAL 3 HG23 VAL 3 8.243 -4.036 -6.078 21 H VAL 4 H VAL 4 7.417 -1.523 -5.019 22 HA VAL 4 HA VAL 4 10.231 -1.372 -4.008 23 HB VAL 4 HB VAL 4 7.883 0.232 -3.040 24 1HG1 VAL 4 HG11 VAL 4 10.705 -0.122 -1.883 25 2HG1 VAL 4 HG12 VAL 4 9.573 1.131 -1.354 26 3HG1 VAL 4 HG13 VAL 4 9.202 -0.565 -1.064 27 1HG2 VAL 4 HG21 VAL 4 8.986 1.274 -4.949 28 2HG2 VAL 4 HG22 VAL 4 9.360 2.162 -3.462 29 3HG2 VAL 4 HG23 VAL 4 10.573 1.065 -4.164 30 H THR 5 H THR 5 10.378 -2.310 -1.842 31 HA THR 5 HA THR 5 7.905 -3.365 -0.901 32 HB THR 5 HB THR 5 8.876 -5.375 -2.001 33 HG1 THR 5 HG1 THR 5 7.982 -5.182 0.271 34 1HG2 THR 5 HG21 THR 5 11.295 -5.033 -0.167 35 2HG2 THR 5 HG22 THR 5 10.967 -6.395 -1.249 36 3HG2 THR 5 HG23 THR 5 11.295 -4.793 -1.929 37 H TYR 6 H TYR 6 7.609 -3.315 1.200 38 HA TYR 6 HA TYR 6 9.730 -2.267 3.001 39 1HB TYR 6 HB2 TYR 6 6.897 -3.212 3.567 40 2HB TYR 6 HB3 TYR 6 8.039 -2.642 4.774 41 HD1 TYR 6 HD1 TYR 6 5.813 -1.652 2.022 42 HD2 TYR 6 HD2 TYR 6 8.717 -0.258 4.884 43 HE1 TYR 6 HE1 TYR 6 5.333 0.672 1.386 44 HE2 TYR 6 HE2 TYR 6 8.113 2.087 4.343 45 HH TYR 6 HH TYR 6 5.977 2.876 1.689 46 H GLU 7 H GLU 7 11.346 -3.829 3.129 47 HA GLU 7 HA GLU 7 10.719 -6.629 3.513 48 1HB GLU 7 HB2 GLU 7 13.130 -6.794 4.095 49 2HB GLU 7 HB3 GLU 7 12.695 -6.396 2.433 50 1HG GLU 7 HG2 GLU 7 13.334 -4.070 2.711 51 2HG GLU 7 HG3 GLU 7 13.529 -4.282 4.466 52 H ASN 8 H ASN 8 9.269 -6.337 5.061 53 HA ASN 8 HA ASN 8 9.998 -5.604 7.849 54 1HB ASN 8 HB2 ASN 8 7.644 -5.765 8.318 55 2HB ASN 8 HB3 ASN 8 7.840 -4.850 6.818 56 1HD2 ASN 8 HD21 ASN 8 6.433 -7.427 4.739 57 2HD2 ASN 8 HD22 ASN 8 7.330 -5.907 4.758 58 H LYS 9 H LYS 9 9.100 -7.195 9.583 59 HA LYS 9 HA LYS 9 10.796 -9.424 9.268 60 1HB LYS 9 HB2 LYS 9 10.178 -8.148 11.420 61 2HB LYS 9 HB3 LYS 9 8.627 -8.975 11.370 62 1HG LYS 9 HG2 LYS 9 9.663 -10.414 12.758 63 2HG LYS 9 HG3 LYS 9 10.227 -11.178 11.274 64 1HD LYS 9 HD2 LYS 9 11.668 -9.102 12.958 65 2HD LYS 9 HD3 LYS 9 12.006 -10.848 12.928 66 1HE LYS 9 HE2 LYS 9 12.605 -10.604 10.460 67 2HE LYS 9 HE3 LYS 9 12.448 -8.844 10.656 68 1HZ LYS 9 HZ1 LYS 9 14.368 -10.546 12.085 69 2HZ LYS 9 HZ2 LYS 9 14.699 -9.524 10.841 70 3HZ LYS 9 HZ3 LYS 9 14.194 -8.918 12.281 71 H LYS 10 H LYS 10 7.280 -9.209 9.333 72 HA LYS 10 HA LYS 10 6.576 -11.911 9.484 73 1HB LYS 10 HB2 LYS 10 5.296 -9.839 7.632 74 2HB LYS 10 HB3 LYS 10 4.543 -11.358 8.049 75 1HG LYS 10 HG2 LYS 10 5.292 -9.428 10.226 76 2HG LYS 10 HG3 LYS 10 3.944 -9.055 9.154 77 1HD LYS 10 HD2 LYS 10 3.189 -10.197 11.212 78 2HD LYS 10 HD3 LYS 10 2.756 -11.060 9.727 79 1HE LYS 10 HE2 LYS 10 4.569 -12.680 10.091 80 2HE LYS 10 HE3 LYS 10 5.172 -11.747 11.481 81 1HZ LYS 10 HZ1 LYS 10 2.576 -13.130 11.306 82 2HZ LYS 10 HZ2 LYS 10 3.894 -13.648 12.137 83 3HZ LYS 10 HZ3 LYS 10 3.119 -12.280 12.612 84 H GLY 11 H GLY 11 7.164 -10.028 6.575 85 1HA GLY 11 HA2 GLY 11 7.970 -11.999 4.704 86 2HA GLY 11 HA3 GLY 11 6.185 -11.976 4.825 87 H ASN 12 H ASN 12 8.591 -10.655 3.113 88 HA ASN 12 HA ASN 12 8.409 -7.892 3.482 89 1HB ASN 12 HB2 ASN 12 9.187 -9.355 0.941 90 2HB ASN 12 HB3 ASN 12 9.602 -7.693 1.370 91 1HD2 ASN 12 HD21 ASN 12 11.622 -9.508 4.211 92 2HD2 ASN 12 HD22 ASN 12 9.987 -8.931 4.392 93 H VAL 13 H VAL 13 7.171 -6.263 2.606 94 HA VAL 13 HA VAL 13 4.628 -7.157 1.309 95 HB VAL 13 HB VAL 13 5.344 -4.721 2.947 96 1HG1 VAL 13 HG11 VAL 13 3.093 -5.166 0.975 97 2HG1 VAL 13 HG12 VAL 13 2.793 -4.223 2.442 98 3HG1 VAL 13 HG13 VAL 13 4.027 -3.692 1.289 99 1HG2 VAL 13 HG21 VAL 13 4.624 -6.940 3.979 100 2HG2 VAL 13 HG22 VAL 13 3.651 -5.532 4.413 101 3HG2 VAL 13 HG23 VAL 13 3.048 -6.697 3.217 102 H THR 14 H THR 14 5.068 -7.268 -0.834 103 HA THR 14 HA THR 14 6.597 -5.289 -2.267 104 HB THR 14 HB THR 14 4.500 -7.261 -3.272 105 HG1 THR 14 HG1 THR 14 6.376 -8.566 -3.587 106 1HG2 THR 14 HG21 THR 14 6.860 -5.900 -4.662 107 2HG2 THR 14 HG22 THR 14 5.856 -7.182 -5.370 108 3HG2 THR 14 HG23 THR 14 5.136 -5.614 -5.001 109 H PHE 15 H PHE 15 5.860 -3.471 -3.354 110 HA PHE 15 HA PHE 15 2.987 -3.212 -3.816 111 1HB PHE 15 HB2 PHE 15 2.782 -0.931 -3.084 112 2HB PHE 15 HB3 PHE 15 3.120 -2.017 -1.751 113 HD1 PHE 15 HD1 PHE 15 5.558 -2.217 -0.914 114 HD2 PHE 15 HD2 PHE 15 4.076 1.057 -3.308 115 HE1 PHE 15 HE1 PHE 15 7.273 -0.727 0.046 116 HE2 PHE 15 HE2 PHE 15 5.752 2.565 -2.272 117 HZ PHE 15 HZ PHE 15 7.295 1.671 -0.522 118 H ASP 16 H ASP 16 3.026 -3.269 -5.915 119 HA ASP 16 HA ASP 16 4.830 -2.067 -7.683 120 1HB ASP 16 HB2 ASP 16 1.883 -2.725 -8.054 121 2HB ASP 16 HB3 ASP 16 3.138 -2.593 -9.314 122 H HIS 17 HN HIS 17 5.095 -0.100 -6.463 123 HA HIS 17 HA HIS 17 3.508 2.072 -6.018 124 1HB HIS 17 HB2 HIS 17 5.966 1.784 -5.594 125 2HB HIS 17 HB3 HIS 17 6.293 2.019 -7.295 126 HD1 HIS 17 HND HIS 17 6.999 4.386 -7.857 127 HD2 HIS 17 HD HIS 17 4.441 4.080 -4.533 128 HE1 HIS 17 HE HIS 17 6.605 6.781 -6.975 129 H LYS 18 H LYS 18 5.223 1.525 -9.073 130 HA LYS 18 HA LYS 18 4.134 3.507 -10.739 131 1HB LYS 18 HB2 LYS 18 6.015 2.404 -11.495 132 2HB LYS 18 HB3 LYS 18 5.317 0.770 -11.216 133 1HG LYS 18 HG2 LYS 18 3.858 1.030 -13.035 134 2HG LYS 18 HG3 LYS 18 4.277 2.768 -13.197 135 1HD LYS 18 HD2 LYS 18 6.605 2.039 -13.786 136 2HD LYS 18 HD3 LYS 18 6.038 0.359 -13.832 137 1HE LYS 18 HE2 LYS 18 4.963 2.697 -15.503 138 2HE LYS 18 HE3 LYS 18 6.051 1.449 -16.122 139 1HZ LYS 18 HZ1 LYS 18 3.487 0.592 -14.965 140 2HZ LYS 18 HZ2 LYS 18 3.385 1.378 -16.302 141 3HZ LYS 18 HZ3 LYS 18 4.297 -0.023 -16.260 142 H ALA 19 H ALA 19 3.063 0.091 -10.306 143 HA ALA 19 HA ALA 19 0.939 0.142 -12.146 144 1HB ALA 19 HB1 ALA 19 1.760 -1.896 -11.002 145 2HB ALA 19 HB2 ALA 19 0.990 -1.281 -9.503 146 3HB ALA 19 HB3 ALA 19 -0.011 -1.704 -10.899 147 H HIS 20 HN HIS 20 0.836 0.743 -8.598 148 HA HIS 20 HA HIS 20 -1.942 1.417 -8.454 149 1HB HIS 20 HB2 HIS 20 0.469 2.225 -6.772 150 2HB HIS 20 HB3 HIS 20 -1.181 2.723 -6.421 151 HD1 HIS 20 HND HIS 20 0.782 -0.604 -6.742 152 HD2 HIS 20 HD HIS 20 -2.626 1.121 -4.989 153 HE1 HIS 20 HE HIS 20 -0.215 -2.361 -5.158 154 H ALA 21 H ALA 21 0.976 3.240 -9.238 155 HA ALA 21 HA ALA 21 -0.260 5.852 -9.203 156 1HB ALA 21 HB1 ALA 21 2.162 5.058 -10.859 157 2HB ALA 21 HB2 ALA 21 1.677 6.669 -10.325 158 3HB ALA 21 HB3 ALA 21 2.208 5.452 -9.136 159 H GLU 22 H GLU 22 0.345 3.650 -11.927 160 HA GLU 22 HA GLU 22 -0.838 5.509 -13.829 161 1HB GLU 22 HB2 GLU 22 -0.325 3.908 -15.547 162 2HB GLU 22 HB3 GLU 22 1.043 4.122 -14.454 163 1HG GLU 22 HG2 GLU 22 0.171 1.979 -13.275 164 2HG GLU 22 HG3 GLU 22 -0.782 1.718 -14.741 165 H LYS 23 H LYS 23 -1.911 2.471 -12.272 166 HA LYS 23 HA LYS 23 -4.451 2.244 -13.467 167 1HB LYS 23 HB2 LYS 23 -3.473 1.605 -10.655 168 2HB LYS 23 HB3 LYS 23 -4.980 0.997 -11.329 169 1HG LYS 23 HG2 LYS 23 -2.336 0.499 -12.784 170 2HG LYS 23 HG3 LYS 23 -2.786 -0.464 -11.387 171 1HD LYS 23 HD2 LYS 23 -4.990 -0.187 -13.317 172 2HD LYS 23 HD3 LYS 23 -3.512 -0.806 -14.075 173 1HE LYS 23 HE2 LYS 23 -3.312 -2.587 -12.353 174 2HE LYS 23 HE3 LYS 23 -4.700 -1.930 -11.477 175 1HZ LYS 23 HZ1 LYS 23 -4.798 -3.218 -14.123 176 2HZ LYS 23 HZ2 LYS 23 -5.271 -3.811 -12.655 177 3HZ LYS 23 HZ3 LYS 23 -6.095 -2.564 -13.310 178 H LEU 24 H LEU 24 -3.454 4.018 -10.471 179 HA LEU 24 HA LEU 24 -6.231 4.965 -10.136 180 1HB LEU 24 HB2 LEU 24 -3.835 5.371 -8.331 181 2HB LEU 24 HB3 LEU 24 -5.530 5.633 -7.945 182 HG LEU 24 HG LEU 24 -4.449 2.867 -8.692 183 1HD1 LEU 24 HD11 LEU 24 -4.673 4.195 -5.983 184 2HD1 LEU 24 HD12 LEU 24 -4.411 2.450 -6.242 185 3HD1 LEU 24 HD13 LEU 24 -3.209 3.637 -6.777 186 1HD2 LEU 24 HD21 LEU 24 -6.870 3.075 -8.923 187 2HD2 LEU 24 HD22 LEU 24 -6.486 2.120 -7.484 188 3HD2 LEU 24 HD23 LEU 24 -6.997 3.814 -7.314 189 H GLY 25 H GLY 25 -2.897 6.475 -10.281 190 1HA GLY 25 HA2 GLY 25 -3.120 8.474 -11.869 191 2HA GLY 25 HA3 GLY 25 -4.115 9.159 -10.561 192 H CYS 26 HN CYS 26 -3.172 9.305 -8.447 193 HA CYS 26 HA CYS 26 -0.468 8.890 -7.724 194 1HB CYS 26 HB2 CYS 26 -0.307 10.796 -9.693 195 2HB CYS 26 HB3 CYS 26 -0.745 11.831 -8.363 196 H ASP 27 H ASP 27 -3.022 11.102 -7.774 197 HA ASP 27 HA ASP 27 -3.257 12.566 -5.427 198 1HB ASP 27 HB2 ASP 27 -5.675 12.378 -6.019 199 2HB ASP 27 HB3 ASP 27 -4.672 12.837 -7.398 200 H ALA 28 H ALA 28 -4.304 9.335 -6.277 201 HA ALA 28 HA ALA 28 -5.645 8.304 -4.211 202 1HB ALA 28 HB1 ALA 28 -3.295 7.014 -5.662 203 2HB ALA 28 HB2 ALA 28 -4.530 6.130 -4.735 204 3HB ALA 28 HB3 ALA 28 -4.990 7.050 -6.190 205 H CYS 29 HN CYS 29 -2.123 8.794 -4.173 206 HA CYS 29 HA CYS 29 -2.070 8.144 -1.232 207 1HB CYS 29 HB2 CYS 29 0.081 7.616 -3.257 208 2HB CYS 29 HB3 CYS 29 0.073 7.147 -1.545 209 H HIS 30 HN HIS 30 -0.848 10.254 -3.850 210 HA HIS 30 HA HIS 30 0.619 11.903 -1.818 211 1HB HIS 30 HB2 HIS 30 1.164 11.452 -4.762 212 2HB HIS 30 HB3 HIS 30 2.052 12.544 -3.712 213 HD1 HIS 30 HND HIS 30 3.427 11.236 -1.654 214 HD2 HIS 30 HD HIS 30 2.199 9.150 -5.041 215 HE1 HIS 30 HE HIS 30 5.079 9.217 -1.980 216 H GLU 31 H GLU 31 -1.147 13.211 -1.375 217 HA GLU 31 HA GLU 31 -2.795 14.394 -3.427 218 1HB GLU 31 HB2 GLU 31 -2.484 15.539 -0.589 219 2HB GLU 31 HB3 GLU 31 -3.841 15.626 -1.710 220 1HG GLU 31 HG2 GLU 31 -3.974 13.138 -1.546 221 2HG GLU 31 HG3 GLU 31 -2.810 13.175 -0.213 222 H GLY 32 H GLY 32 -0.608 15.858 -1.165 223 1HA GLY 32 HA2 GLY 32 -0.520 18.423 -2.490 224 2HA GLY 32 HA3 GLY 32 0.463 17.946 -1.098 225 H THR 33 H THR 33 2.219 16.204 -1.724 226 HA THR 33 HA THR 33 3.234 16.224 -4.381 227 HB THR 33 HB THR 33 3.951 18.523 -3.512 228 HG1 THR 33 HG1 THR 33 6.009 18.279 -4.352 229 1HG2 THR 33 HG21 THR 33 5.923 16.939 -1.807 230 2HG2 THR 33 HG22 THR 33 5.787 18.696 -1.956 231 3HG2 THR 33 HG23 THR 33 4.500 17.781 -1.150 232 HA PRO 34 HA PRO 34 4.830 12.602 -2.203 233 1HB PRO 34 HB2 PRO 34 6.577 11.553 -3.959 234 2HB PRO 34 HB3 PRO 34 4.820 11.531 -4.277 235 1HG PRO 34 HG2 PRO 34 6.838 13.468 -5.351 236 2HG PRO 34 HG3 PRO 34 5.506 12.614 -6.204 237 1HD PRO 34 HD2 PRO 34 5.297 15.204 -5.318 238 2HD PRO 34 HD3 PRO 34 3.896 14.097 -5.381 239 H ALA 35 H ALA 35 6.423 12.316 -0.685 240 HA ALA 35 HA ALA 35 9.142 13.299 -1.095 241 1HB ALA 35 HB1 ALA 35 8.028 15.358 -0.311 242 2HB ALA 35 HB2 ALA 35 7.351 14.484 1.079 243 3HB ALA 35 HB3 ALA 35 9.110 14.715 0.942 244 H LYS 36 H LYS 36 8.609 10.870 -1.144 245 HA LYS 36 HA LYS 36 8.347 8.806 -0.303 246 1HB LYS 36 HB2 LYS 36 9.165 9.855 2.442 247 2HB LYS 36 HB3 LYS 36 9.045 8.188 1.918 248 1HG LYS 36 HG2 LYS 36 10.816 9.429 0.060 249 2HG LYS 36 HG3 LYS 36 11.306 9.953 1.674 250 1HD LYS 36 HD2 LYS 36 10.764 7.088 0.776 251 2HD LYS 36 HD3 LYS 36 12.362 7.795 0.932 252 1HE LYS 36 HE2 LYS 36 12.343 7.800 3.235 253 2HE LYS 36 HE3 LYS 36 10.616 7.939 3.410 254 1HZ LYS 36 HZ1 LYS 36 11.444 5.425 2.238 255 2HZ LYS 36 HZ2 LYS 36 11.722 5.643 3.881 256 3HZ LYS 36 HZ3 LYS 36 10.243 5.801 3.147 257 H ILE 37 H ILE 37 7.154 7.742 1.765 258 HA ILE 37 HA ILE 37 5.074 9.513 2.863 259 HB ILE 37 HB ILE 37 4.254 6.707 2.055 260 1HG1 ILE 37 HG12 ILE 37 3.848 9.289 0.529 261 2HG1 ILE 37 HG13 ILE 37 4.661 7.788 0.024 262 1HG2 ILE 37 HG21 ILE 37 2.634 9.158 2.885 263 2HG2 ILE 37 HG22 ILE 37 2.002 7.524 2.599 264 3HG2 ILE 37 HG23 ILE 37 3.062 7.821 3.970 265 1HD1 ILE 37 HD11 ILE 37 1.676 8.258 0.457 266 2HD1 ILE 37 HD12 ILE 37 2.495 7.854 -1.051 267 3HD1 ILE 37 HD13 ILE 37 2.379 6.640 0.237 268 H ALA 38 H ALA 38 6.460 6.321 2.873 269 HA ALA 38 HA ALA 38 7.404 4.975 4.406 270 1HB ALA 38 HB1 ALA 38 8.490 6.997 5.297 271 2HB ALA 38 HB2 ALA 38 7.154 7.198 6.460 272 3HB ALA 38 HB3 ALA 38 8.167 5.747 6.528 273 H ILE 39 H ILE 39 5.409 3.894 3.884 274 HA ILE 39 HA ILE 39 3.212 4.106 5.851 275 HB ILE 39 HB ILE 39 3.554 2.624 3.234 276 1HG1 ILE 39 HG12 ILE 39 3.049 5.013 3.042 277 2HG1 ILE 39 HG13 ILE 39 1.697 4.001 2.544 278 1HG2 ILE 39 HG21 ILE 39 1.457 2.290 5.372 279 2HG2 ILE 39 HG22 ILE 39 1.040 2.070 3.666 280 3HG2 ILE 39 HG23 ILE 39 2.305 1.071 4.388 281 1HD1 ILE 39 HD11 ILE 39 1.891 5.666 5.072 282 2HD1 ILE 39 HD12 ILE 39 0.745 5.805 3.737 283 3HD1 ILE 39 HD13 ILE 39 0.646 4.419 4.826 284 H ASP 40 H ASP 40 3.519 3.196 7.655 285 HA ASP 40 HA ASP 40 5.265 0.828 7.977 286 1HB ASP 40 HB2 ASP 40 5.459 1.391 10.241 287 2HB ASP 40 HB3 ASP 40 5.510 2.943 9.445 288 H LYS 41 H LYS 41 4.464 -0.520 9.794 289 HA LYS 41 HA LYS 41 2.221 -2.062 9.400 290 1HB LYS 41 HB2 LYS 41 2.202 -1.863 12.208 291 2HB LYS 41 HB3 LYS 41 3.026 -3.055 11.229 292 1HG LYS 41 HG2 LYS 41 5.038 -1.717 11.266 293 2HG LYS 41 HG3 LYS 41 4.253 -0.412 12.146 294 1HD LYS 41 HD2 LYS 41 4.101 -1.740 14.112 295 2HD LYS 41 HD3 LYS 41 4.384 -3.260 13.248 296 1HE LYS 41 HE2 LYS 41 6.441 -1.011 13.412 297 2HE LYS 41 HE3 LYS 41 6.395 -2.373 14.541 298 1HZ LYS 41 HZ1 LYS 41 6.725 -2.777 11.588 299 2HZ LYS 41 HZ2 LYS 41 7.953 -2.696 12.670 300 3HZ LYS 41 HZ3 LYS 41 6.864 -3.878 12.769 301 H LYS 42 H LYS 42 2.256 0.801 11.544 302 HA LYS 42 HA LYS 42 -0.497 0.645 12.292 303 1HB LYS 42 HB2 LYS 42 1.293 3.103 12.119 304 2HB LYS 42 HB3 LYS 42 -0.239 2.983 12.987 305 1HG LYS 42 HG2 LYS 42 0.684 1.562 14.661 306 2HG LYS 42 HG3 LYS 42 2.067 1.120 13.654 307 1HD LYS 42 HD2 LYS 42 2.813 2.643 15.366 308 2HD LYS 42 HD3 LYS 42 3.000 3.335 13.748 309 1HE LYS 42 HE2 LYS 42 0.886 4.663 14.091 310 2HE LYS 42 HE3 LYS 42 0.749 3.987 15.724 311 1HZ LYS 42 HZ1 LYS 42 2.946 5.665 14.699 312 2HZ LYS 42 HZ2 LYS 42 1.751 6.157 15.714 313 3HZ LYS 42 HZ3 LYS 42 2.860 5.056 16.228 314 H SER 43 H SER 43 1.121 2.909 9.959 315 HA SER 43 HA SER 43 -1.265 4.070 9.047 316 1HB SER 43 HB2 SER 43 1.286 3.658 7.430 317 2HB SER 43 HB3 SER 43 0.056 4.921 7.215 318 HG SER 43 HG SER 43 1.894 4.530 9.352 319 H ALA 44 H ALA 44 0.633 1.487 7.551 320 HA ALA 44 HA ALA 44 -0.747 0.771 5.287 321 1HB ALA 44 HB1 ALA 44 0.303 -1.387 5.545 322 2HB ALA 44 HB2 ALA 44 1.435 -0.099 6.035 323 3HB ALA 44 HB3 ALA 44 0.626 -1.077 7.263 324 H HIS 45 HN HIS 45 -1.130 -0.717 8.538 325 HA HIS 45 HA HIS 45 -3.361 -2.327 7.665 326 1HB HIS 45 HB2 HIS 45 -2.060 -1.805 10.346 327 2HB HIS 45 HB3 HIS 45 -3.550 -2.700 10.186 328 HD1 HIS 45 HND HIS 45 -2.744 -4.940 10.921 329 HD2 HIS 45 HD HIS 45 -0.556 -3.355 7.685 330 HE1 HIS 45 HE HIS 45 -1.285 -6.794 10.054 331 H LYS 46 H LYS 46 -3.063 0.911 9.078 332 HA LYS 46 HA LYS 46 -5.733 0.782 10.296 333 1HB LYS 46 HB2 LYS 46 -3.857 1.818 11.430 334 2HB LYS 46 HB3 LYS 46 -3.679 3.031 10.157 335 1HG LYS 46 HG2 LYS 46 -6.153 2.687 11.909 336 2HG LYS 46 HG3 LYS 46 -4.781 3.749 12.279 337 1HD LYS 46 HD2 LYS 46 -5.165 4.876 10.027 338 2HD LYS 46 HD3 LYS 46 -6.703 3.979 9.960 339 1HE LYS 46 HE2 LYS 46 -7.416 5.024 12.083 340 2HE LYS 46 HE3 LYS 46 -5.924 5.990 12.107 341 1HZ LYS 46 HZ1 LYS 46 -7.940 6.019 9.951 342 2HZ LYS 46 HZ2 LYS 46 -7.833 7.168 11.130 343 3HZ LYS 46 HZ3 LYS 46 -6.626 6.975 10.019 344 H ASP 47 H ASP 47 -4.184 3.104 8.043 345 HA ASP 47 HA ASP 47 -6.428 3.019 6.223 346 1HB ASP 47 HB2 ASP 47 -6.048 5.485 7.945 347 2HB ASP 47 HB3 ASP 47 -6.671 5.585 6.308 348 H ALA 48 H ALA 48 -4.441 2.088 5.338 349 HA ALA 48 HA ALA 48 -3.801 4.085 3.360 350 1HB ALA 48 HB1 ALA 48 -1.360 3.472 3.212 351 2HB ALA 48 HB2 ALA 48 -1.819 4.442 4.624 352 3HB ALA 48 HB3 ALA 48 -1.516 2.716 4.815 353 H CYS 49 HN CYS 49 -2.208 0.929 3.844 354 HA CYS 49 HA CYS 49 -3.097 0.061 1.235 355 1HB CYS 49 HB2 CYS 49 -1.971 -1.693 3.394 356 2HB CYS 49 HB3 CYS 49 -1.860 -1.913 1.657 357 H LYS 50 H LYS 50 -3.778 -1.136 4.543 358 HA LYS 50 HA LYS 50 -5.769 -2.982 3.512 359 1HB LYS 50 HB2 LYS 50 -3.995 -3.235 5.465 360 2HB LYS 50 HB3 LYS 50 -5.210 -2.406 6.412 361 1HG LYS 50 HG2 LYS 50 -6.814 -4.349 5.391 362 2HG LYS 50 HG3 LYS 50 -5.262 -5.108 5.050 363 1HD LYS 50 HD2 LYS 50 -5.645 -5.988 7.134 364 2HD LYS 50 HD3 LYS 50 -4.737 -4.555 7.604 365 1HE LYS 50 HE2 LYS 50 -7.766 -5.009 7.641 366 2HE LYS 50 HE3 LYS 50 -6.704 -4.784 9.037 367 1HZ LYS 50 HZ1 LYS 50 -7.342 -2.699 7.024 368 2HZ LYS 50 HZ2 LYS 50 -7.961 -2.795 8.541 369 3HZ LYS 50 HZ3 LYS 50 -6.373 -2.487 8.321 370 H THR 51 H THR 51 -6.552 -0.363 2.998 371 HA THR 51 HA THR 51 -9.137 -0.361 4.370 372 HB THR 51 HB THR 51 -7.575 1.377 5.438 373 HG1 THR 51 HG1 THR 51 -9.310 2.641 5.867 374 1HG2 THR 51 HG21 THR 51 -8.512 3.016 3.025 375 2HG2 THR 51 HG22 THR 51 -7.718 3.649 4.454 376 3HG2 THR 51 HG23 THR 51 -6.817 2.579 3.377 377 H CYS 52 HN CYS 52 -7.126 1.202 1.834 378 HA CYS 52 HA CYS 52 -9.055 1.733 -0.088 379 1HB CYS 52 HB2 CYS 52 -6.164 1.419 0.070 380 2HB CYS 52 HB3 CYS 52 -6.766 0.601 -1.358 381 H HIS 53 HN HIS 53 -7.183 -1.313 0.311 382 HA HIS 53 HA HIS 53 -8.230 -2.481 -1.986 383 1HB HIS 53 HB2 HIS 53 -7.255 -3.906 0.500 384 2HB HIS 53 HB3 HIS 53 -7.516 -4.642 -1.085 385 HD1 HIS 53 HND HIS 53 -4.709 -4.906 0.034 386 HD2 HIS 53 HD HIS 53 -5.976 -1.828 -2.553 387 HE1 HIS 53 HE HIS 53 -2.672 -4.024 -1.181 388 H LYS 54 H LYS 54 -9.852 -2.189 1.101 389 HA LYS 54 HA LYS 54 -11.406 -4.434 1.373 390 1HB LYS 54 HB2 LYS 54 -12.094 -1.554 1.879 391 2HB LYS 54 HB3 LYS 54 -13.163 -2.891 2.327 392 1HG LYS 54 HG2 LYS 54 -11.610 -3.848 3.851 393 2HG LYS 54 HG3 LYS 54 -10.257 -2.935 3.171 394 1HD LYS 54 HD2 LYS 54 -10.743 -1.916 5.224 395 2HD LYS 54 HD3 LYS 54 -11.272 -0.836 3.918 396 1HE LYS 54 HE2 LYS 54 -13.636 -1.612 4.272 397 2HE LYS 54 HE3 LYS 54 -13.077 -2.521 5.689 398 1HZ LYS 54 HZ1 LYS 54 -12.853 0.400 5.288 399 2HZ LYS 54 HZ2 LYS 54 -13.923 -0.352 6.284 400 3HZ LYS 54 HZ3 LYS 54 -12.310 -0.404 6.610 401 H SER 55 H SER 55 -12.285 -1.551 -0.591 402 HA SER 55 HA SER 55 -14.702 -2.828 -1.595 403 1HB SER 55 HB2 SER 55 -13.436 -0.201 -2.432 404 2HB SER 55 HB3 SER 55 -15.131 -0.702 -2.599 405 HG SER 55 HG SER 55 -14.802 0.638 -0.749 406 H ASN 56 H ASN 56 -11.490 -3.139 -2.546 407 HA ASN 56 HA ASN 56 -12.024 -3.077 -5.485 408 1HB ASN 56 HB2 ASN 56 -9.456 -2.920 -3.859 409 2HB ASN 56 HB3 ASN 56 -9.519 -3.143 -5.605 410 1HD2 ASN 56 HD21 ASN 56 -10.159 0.596 -4.143 411 2HD2 ASN 56 HD22 ASN 56 -9.915 -0.699 -3.002 412 H ASN 57 H ASN 57 -10.521 -5.117 -2.892 413 HA ASN 57 HA ASN 57 -11.352 -7.514 -4.307 414 1HB ASN 57 HB2 ASN 57 -9.091 -6.977 -5.339 415 2HB ASN 57 HB3 ASN 57 -8.377 -7.087 -3.721 416 1HD2 ASN 57 HD21 ASN 57 -7.751 -10.448 -4.979 417 2HD2 ASN 57 HD22 ASN 57 -7.003 -8.875 -4.964 418 H GLY 58 H GLY 58 -10.830 -9.444 -2.800 419 1HA GLY 58 HA2 GLY 58 -11.258 -8.534 0.043 420 2HA GLY 58 HA3 GLY 58 -11.955 -9.944 -0.734 421 HA PRO 59 HA PRO 59 -7.567 -11.315 0.647 422 1HB PRO 59 HB2 PRO 59 -5.892 -9.527 1.821 423 2HB PRO 59 HB3 PRO 59 -5.911 -9.775 0.050 424 1HG PRO 59 HG2 PRO 59 -7.227 -7.556 1.620 425 2HG PRO 59 HG3 PRO 59 -6.301 -7.438 0.098 426 1HD PRO 59 HD2 PRO 59 -9.065 -7.547 0.277 427 2HD PRO 59 HD3 PRO 59 -8.150 -8.092 -1.169 428 H THR 60 H THR 60 -8.470 -12.367 2.431 429 HA THR 60 HA THR 60 -10.408 -10.866 4.025 430 HB THR 60 HB THR 60 -10.742 -13.303 4.874 431 HG1 THR 60 HG1 THR 60 -9.737 -14.586 2.882 432 1HG2 THR 60 HG21 THR 60 -11.063 -12.774 1.886 433 2HG2 THR 60 HG22 THR 60 -11.947 -13.976 2.847 434 3HG2 THR 60 HG23 THR 60 -12.189 -12.248 3.151 435 H LYS 61 H LYS 61 -7.813 -13.145 4.624 436 HA LYS 61 HA LYS 61 -7.342 -12.064 7.355 437 1HB LYS 61 HB2 LYS 61 -6.202 -14.571 6.039 438 2HB LYS 61 HB3 LYS 61 -6.082 -14.081 7.744 439 1HG LYS 61 HG2 LYS 61 -8.638 -14.087 7.792 440 2HG LYS 61 HG3 LYS 61 -8.601 -14.782 6.161 441 1HD LYS 61 HD2 LYS 61 -7.244 -16.699 7.051 442 2HD LYS 61 HD3 LYS 61 -7.459 -16.030 8.687 443 1HE LYS 61 HE2 LYS 61 -9.969 -16.143 8.343 444 2HE LYS 61 HE3 LYS 61 -9.692 -16.896 6.765 445 1HZ LYS 61 HZ1 LYS 61 -8.916 -18.030 9.371 446 2HZ LYS 61 HZ2 LYS 61 -10.168 -18.519 8.428 447 3HZ LYS 61 HZ3 LYS 61 -8.624 -18.729 7.907 448 H CYS 62 HN CYS 62 -4.844 -13.376 5.215 449 HA CYS 62 HA CYS 62 -3.405 -10.812 5.218 450 1HB CYS 62 HB2 CYS 62 -1.997 -13.376 5.960 451 2HB CYS 62 HB3 CYS 62 -1.440 -11.697 6.142 452 H GLY 63 H GLY 63 -0.978 -12.032 4.186 453 1HA GLY 63 HA2 GLY 63 -0.085 -13.188 2.404 454 2HA GLY 63 HA3 GLY 63 -1.694 -13.760 1.950 455 H GLY 64 H GLY 64 -3.003 -11.327 1.692 456 1HA GLY 64 HA2 GLY 64 -2.914 -10.423 -0.812 457 2HA GLY 64 HA3 GLY 64 -3.231 -9.343 0.565 458 H CYS 65 HN CYS 65 -0.747 -9.181 1.727 459 HA CYS 65 HA CYS 65 0.771 -7.568 -0.295 460 1HB CYS 65 HB2 CYS 65 0.391 -6.999 2.621 461 2HB CYS 65 HB3 CYS 65 1.054 -5.910 1.398 462 H HIS 66 HN HIS 66 1.106 -9.116 2.958 463 HA HIS 66 HA HIS 66 3.985 -9.250 2.856 464 1HB HIS 66 HB2 HIS 66 2.030 -10.944 4.470 465 2HB HIS 66 HB3 HIS 66 3.768 -10.900 4.655 466 HD1 HIS 66 HND HIS 66 4.842 -8.625 5.679 467 HD2 HIS 66 HD HIS 66 0.634 -8.914 5.612 468 HE1 HIS 66 HE HIS 66 3.883 -6.810 7.253 469 H ILE 67 H ILE 67 5.010 -10.456 1.231 470 HA ILE 67 HA ILE 67 3.685 -12.803 0.090 471 HB ILE 67 HB ILE 67 6.560 -11.906 -0.262 472 1HG1 ILE 67 HG12 ILE 67 5.207 -10.003 -0.863 473 2HG1 ILE 67 HG13 ILE 67 5.804 -10.778 -2.319 474 1HG2 ILE 67 HG21 ILE 67 4.718 -13.671 -1.942 475 2HG2 ILE 67 HG22 ILE 67 6.321 -13.099 -2.446 476 3HG2 ILE 67 HG23 ILE 67 6.165 -14.184 -1.062 477 1HD1 ILE 67 HD11 ILE 67 2.971 -11.022 -1.204 478 2HD1 ILE 67 HD12 ILE 67 3.490 -10.064 -2.593 479 3HD1 ILE 67 HD13 ILE 67 3.566 -11.830 -2.674 480 H LYS 68 H LYS 68 3.270 -13.796 2.276 481 HA LYS 68 HA LYS 68 5.106 -15.925 2.750 482 1HB LYS 68 HB2 LYS 68 6.166 -14.168 4.143 483 2HB LYS 68 HB3 LYS 68 4.586 -13.753 4.823 484 1HG LYS 68 HG2 LYS 68 5.780 -14.915 6.449 485 2HG LYS 68 HG3 LYS 68 4.492 -15.972 5.961 486 1HD LYS 68 HD2 LYS 68 7.321 -16.100 4.787 487 2HD LYS 68 HD3 LYS 68 6.966 -16.834 6.347 488 1HE LYS 68 HE2 LYS 68 5.981 -17.711 3.610 489 2HE LYS 68 HE3 LYS 68 6.929 -18.606 4.792 490 1HZ LYS 68 HZ1 LYS 68 4.101 -17.848 4.958 491 2HZ LYS 68 HZ2 LYS 68 4.686 -19.356 4.804 492 3HZ LYS 68 HZ3 LYS 68 4.908 -18.538 6.225 493 HHA HEC1030 HCM HEC 30 8.300 7.002 -1.818 494 HHB HEC1030 HDM HEC 30 6.745 10.551 -6.873 495 HHC HEC1030 HAM HEC 30 1.335 7.135 -7.472 496 HHD HEC1030 HBM HEC 30 2.458 4.637 -1.730 497 1HMA HEC1030 HM81 HEC 30 10.191 10.440 -5.358 498 2HMA HEC1030 HM82 HEC 30 9.022 10.560 -6.667 499 3HMA HEC1030 HM83 HEC 30 8.869 11.622 -5.244 500 1HAA HEC1030 HP71 HEC 30 9.777 8.700 -2.020 501 2HAA HEC1030 HP72 HEC 30 10.386 9.868 -3.169 502 1HBA HEC1030 HP73 HEC 30 11.113 8.021 -4.651 503 2HBA HEC1030 HP74 HEC 30 10.490 6.846 -3.481 504 1HMB HEC1030 HM11 HEC 30 6.031 10.913 -8.854 505 2HMB HEC1030 HM12 HEC 30 4.904 10.285 -10.031 506 3HMB HEC1030 HM13 HEC 30 4.394 11.595 -8.932 507 HAB HEC1030 HT2A HEC 30 1.328 8.621 -8.975 508 1HBB HEC1030 HT21 HEC 30 2.960 9.031 -10.888 509 2HBB HEC1030 HT22 HEC 30 1.365 9.780 -10.963 510 3HBB HEC1030 HT23 HEC 30 2.752 10.767 -10.517 511 1HMC HEC1030 HM31 HEC 30 -0.177 5.120 -6.978 512 2HMC HEC1030 HM32 HEC 30 -1.189 5.128 -5.527 513 3HMC HEC1030 HM33 HEC 30 -0.759 6.659 -6.291 514 HAC HEC1030 HT4A HEC 30 0.419 4.547 -2.034 515 1HBC HEC1030 HT41 HEC 30 0.421 2.605 -3.692 516 2HBC HEC1030 HT42 HEC 30 -0.967 2.765 -2.606 517 3HBC HEC1030 HT43 HEC 30 -1.116 3.270 -4.284 518 1HMD HEC1030 HM51 HEC 30 4.460 3.226 -0.081 519 2HMD HEC1030 HM52 HEC 30 4.827 4.469 1.142 520 3HMD HEC1030 HM53 HEC 30 3.284 4.490 0.321 521 1HAD HEC1030 HP61 HEC 30 6.665 5.666 1.107 522 2HAD HEC1030 HP62 HEC 30 7.779 6.588 0.175 523 1HBD HEC1030 HP63 HEC 30 8.742 4.448 -0.723 524 2HBD HEC1030 HP64 HEC 30 7.692 3.587 0.429 525 HHA HEC1053 HCM HEC 53 -3.765 -5.148 -6.259 526 HHB HEC1053 HDM HEC 53 0.528 -4.193 -1.573 527 HHC HEC1053 HAM HEC 53 -2.173 1.467 -0.438 528 HHD HEC1053 HBM HEC 53 -6.424 0.511 -5.047 529 1HMA HEC1053 HM81 HEC 53 1.117 -6.439 -4.148 530 2HMA HEC1053 HM82 HEC 53 0.867 -6.196 -2.411 531 3HMA HEC1053 HM83 HEC 53 -0.038 -7.453 -3.256 532 1HAA HEC1053 HP71 HEC 53 -1.309 -7.740 -5.193 533 2HAA HEC1053 HP72 HEC 53 -2.375 -6.878 -6.280 534 1HBA HEC1053 HP73 HEC 53 -3.969 -6.778 -4.142 535 2HBA HEC1053 HP74 HEC 53 -2.987 -8.140 -3.606 536 1HMB HEC1053 HM11 HEC 53 1.921 -3.012 -0.169 537 2HMB HEC1053 HM12 HEC 53 1.571 -1.945 1.195 538 3HMB HEC1053 HM13 HEC 53 0.592 -3.392 0.934 539 HAB HEC1053 HT2A HEC 53 -0.648 1.253 0.913 540 1HBB HEC1053 HT21 HEC 53 1.516 1.368 -0.251 541 2HBB HEC1053 HT22 HEC 53 1.621 1.689 1.483 542 3HBB HEC1053 HT23 HEC 53 2.166 0.137 0.838 543 1HMC HEC1053 HM31 HEC 53 -2.946 3.570 -1.302 544 2HMC HEC1053 HM32 HEC 53 -4.589 4.082 -1.676 545 3HMC HEC1053 HM33 HEC 53 -4.290 3.093 -0.235 546 HAC HEC1053 HT4A HEC 53 -7.285 1.788 -3.477 547 1HBC HEC1053 HT41 HEC 53 -6.463 3.403 -5.018 548 2HBC HEC1053 HT42 HEC 53 -7.503 4.248 -3.871 549 3HBC HEC1053 HT43 HEC 53 -5.741 4.390 -3.717 550 1HMD HEC1053 HM51 HEC 53 -6.670 -0.439 -7.763 551 2HMD HEC1053 HM52 HEC 53 -7.671 -1.895 -7.675 552 3HMD HEC1053 HM53 HEC 53 -7.805 -0.666 -6.417 553 1HAD HEC1053 HP61 HEC 53 -7.002 -3.999 -7.689 554 2HAD HEC1053 HP62 HEC 53 -5.666 -5.065 -7.367 555 1HBD HEC1053 HP63 HEC 53 -4.257 -3.931 -8.984 556 2HBD HEC1053 HP64 HEC 53 -5.448 -2.640 -9.185 557 HHA HEC1066 HCM HEC 66 4.160 -4.077 9.205 558 HHB HEC1066 HDM HEC 66 0.948 -9.209 11.212 559 HHC HEC1066 HAM HEC 66 -2.704 -8.951 5.997 560 HHD HEC1066 HBM HEC 66 0.641 -4.000 3.834 561 1HMA HEC1066 HM81 HEC 66 2.973 -7.011 13.403 562 2HMA HEC1066 HM82 HEC 66 2.086 -8.448 12.917 563 3HMA HEC1066 HM83 HEC 66 3.850 -8.349 12.645 564 1HAA HEC1066 HP71 HEC 66 4.729 -5.717 12.502 565 2HAA HEC1066 HP72 HEC 66 4.931 -4.579 11.181 566 1HBA HEC1066 HP73 HEC 66 5.945 -6.392 9.800 567 2HBA HEC1066 HP74 HEC 66 5.767 -7.494 11.174 568 1HMB HEC1066 HM11 HEC 66 -1.350 -10.562 11.464 569 2HMB HEC1066 HM12 HEC 66 -1.526 -11.873 10.277 570 3HMB HEC1066 HM13 HEC 66 0.084 -11.359 10.766 571 HAB HEC1066 HT2A HEC 66 -3.626 -10.259 7.395 572 1HBB HEC1066 HT21 HEC 66 -4.209 -9.395 9.620 573 2HBB HEC1066 HT22 HEC 66 -5.003 -10.922 9.205 574 3HBB HEC1066 HT23 HEC 66 -3.647 -10.917 10.342 575 1HMC HEC1066 HM31 HEC 66 -4.023 -7.717 4.176 576 2HMC HEC1066 HM32 HEC 66 -3.154 -7.494 2.643 577 3HMC HEC1066 HM33 HEC 66 -2.729 -8.839 3.700 578 HAC HEC1066 HT4A HEC 66 -1.046 -4.182 2.612 579 1HBC HEC1066 HT41 HEC 66 -3.314 -3.898 3.446 580 2HBC HEC1066 HT42 HEC 66 -3.226 -3.931 1.685 581 3HBC HEC1066 HT43 HEC 66 -3.840 -5.342 2.568 582 1HMD HEC1066 HM51 HEC 66 3.040 -1.291 4.834 583 2HMD HEC1066 HM52 HEC 66 3.629 -2.618 3.834 584 3HMD HEC1066 HM53 HEC 66 1.902 -2.191 3.833 585 1HAD HEC1066 HP61 HEC 66 4.319 -1.511 7.434 586 2HAD HEC1066 HP62 HEC 66 4.986 -2.108 5.952 587 1HBD HEC1066 HP63 HEC 66 6.741 -2.770 7.029 588 2HBD HEC1066 HP64 HEC 66 5.796 -4.087 7.703
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