NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
5601 | 1hp8 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H MET 1 2H MET 1 6.591 14.598 -6.507 2 2H MET 1 3H MET 1 7.111 14.857 -8.057 3 3H MET 1 1H MET 1 7.418 13.411 -7.311 4 HA MET 1 HA MET 1 9.341 14.684 -7.401 5 1HB MET 1 1HB MET 1 9.503 16.814 -6.153 6 2HB MET 1 2HB MET 1 8.672 16.752 -7.697 7 1HG MET 1 1HG MET 1 6.461 16.740 -6.415 8 2HG MET 1 2HG MET 1 7.391 16.916 -4.930 9 1HE MET 1 2HE MET 1 5.893 18.553 -8.075 10 2HE MET 1 3HE MET 1 6.696 20.135 -8.174 11 3HE MET 1 1HE MET 1 7.604 18.657 -8.557 12 HA PRO 2 HA PRO 2 9.066 12.214 -3.574 13 1HB PRO 2 1HB PRO 2 10.937 10.330 -4.163 14 2HB PRO 2 2HB PRO 2 9.361 10.391 -4.993 15 1HG PRO 2 1HG PRO 2 11.994 11.558 -5.965 16 2HG PRO 2 2HG PRO 2 10.871 10.475 -6.853 17 1HD PRO 2 1HD PRO 2 10.794 13.222 -7.122 18 2HD PRO 2 2HD PRO 2 9.315 12.231 -7.201 19 H GLN 3 H GLN 3 9.986 14.559 -3.020 20 HA GLN 3 HA GLN 3 12.687 14.979 -2.311 21 1HB GLN 3 1HB GLN 3 10.111 15.811 -0.893 22 2HB GLN 3 2HB GLN 3 11.703 16.446 -0.480 23 1HG GLN 3 1HG GLN 3 10.471 16.721 -3.262 24 2HG GLN 3 2HG GLN 3 10.262 17.904 -1.979 25 1HE2 GLN 3 1HE2 GLN 3 13.464 19.349 -2.435 26 2HE2 GLN 3 2HE2 GLN 3 11.963 19.392 -1.521 27 H LYS 4 H LYS 4 10.050 13.503 -0.386 28 HA LYS 4 HA LYS 4 11.748 11.451 0.634 29 1HB LYS 4 1HB LYS 4 10.266 13.408 2.460 30 2HB LYS 4 2HB LYS 4 10.646 11.752 2.952 31 1HG LYS 4 1HG LYS 4 13.064 12.191 2.617 32 2HG LYS 4 2HG LYS 4 12.693 13.873 2.171 33 1HD LYS 4 1HD LYS 4 11.704 14.294 4.351 34 2HD LYS 4 2HD LYS 4 11.956 12.598 4.832 35 1HE LYS 4 1HE LYS 4 14.406 12.884 4.547 36 2HE LYS 4 2HE LYS 4 14.155 14.582 4.103 37 1HZ LYS 4 2HZ LYS 4 13.447 13.365 6.686 38 2HZ LYS 4 3HZ LYS 4 14.750 14.331 6.403 39 3HZ LYS 4 1HZ LYS 4 13.227 14.948 6.278 40 H ASP 5 H ASP 5 10.302 9.593 1.090 41 HA ASP 5 HA ASP 5 7.485 9.963 0.447 42 1HB ASP 5 1HB ASP 5 8.661 9.568 -1.673 43 2HB ASP 5 2HB ASP 5 9.214 8.012 -1.077 44 HA PRO 6 HA PRO 6 8.149 7.587 4.357 45 1HB PRO 6 1HB PRO 6 5.184 7.900 4.373 46 2HB PRO 6 2HB PRO 6 6.359 8.152 5.706 47 1HG PRO 6 1HG PRO 6 5.319 10.290 4.462 48 2HG PRO 6 2HG PRO 6 7.090 10.239 4.720 49 1HD PRO 6 1HD PRO 6 5.561 9.365 2.215 50 2HD PRO 6 2HD PRO 6 6.921 10.551 2.359 51 H CYS 7 HN CYX 7 5.952 6.985 1.699 52 H GLN 8 H GLN 8 7.398 5.708 0.447 53 HA GLN 8 HA GLN 8 7.375 3.839 -1.634 54 1HB GLN 8 1HB GLN 8 8.558 5.871 -1.761 55 2HB GLN 8 2HB GLN 8 9.491 5.587 -0.287 56 1HG GLN 8 1HG GLN 8 9.640 3.657 -2.536 57 2HG GLN 8 2HG GLN 8 10.466 5.224 -2.706 58 1HE2 GLN 8 1HE2 GLN 8 12.210 2.254 -0.588 59 2HE2 GLN 8 2HE2 GLN 8 10.617 2.043 -1.349 60 H LYS 9 H LYS 9 8.736 3.730 1.546 61 HA LYS 9 HA LYS 9 10.246 1.323 1.370 62 1HB LYS 9 1HB LYS 9 10.253 3.047 3.256 63 2HB LYS 9 2HB LYS 9 8.757 2.331 3.815 64 1HG LYS 9 1HG LYS 9 10.059 0.056 3.794 65 2HG LYS 9 2HG LYS 9 11.515 1.048 3.689 66 1HD LYS 9 1HD LYS 9 9.361 1.292 5.832 67 2HD LYS 9 2HD LYS 9 10.843 0.333 6.007 68 1HE LYS 9 1HE LYS 9 12.195 2.406 5.645 69 2HE LYS 9 2HE LYS 9 10.692 3.349 5.589 70 1HZ LYS 9 1HZ LYS 9 10.231 2.599 7.824 71 2HZ LYS 9 2HZ LYS 9 11.636 1.741 7.864 72 3HZ LYS 9 3HZ LYS 9 11.678 3.386 7.762 73 H GLN 10 H GLN 10 6.861 1.922 2.373 74 HA GLN 10 HA GLN 10 6.351 -0.813 2.930 75 1HB GLN 10 1HB GLN 10 4.037 0.912 2.267 76 2HB GLN 10 2HB GLN 10 4.237 -0.276 3.520 77 1HG GLN 10 1HG GLN 10 4.997 2.600 3.470 78 2HG GLN 10 2HG GLN 10 4.011 1.761 4.638 79 1HE2 GLN 10 1HE2 GLN 10 7.457 2.642 6.004 80 2HE2 GLN 10 2HE2 GLN 10 6.452 3.662 4.993 81 H ALA 11 H ALA 11 5.547 1.254 0.081 82 HA ALA 11 HA ALA 11 4.574 -0.666 -1.707 83 1HB ALA 11 1HB ALA 11 4.745 1.740 -2.201 84 2HB ALA 11 2HB ALA 11 6.510 1.595 -2.303 85 3HB ALA 11 3HB ALA 11 5.476 0.764 -3.482 86 H CYS 12 H CYS 12 7.952 -0.134 -0.752 87 HA CYS 12 HA CYS 12 9.058 -2.065 -2.555 88 1HB CYS 12 1HB CYS 12 10.260 -0.275 -1.090 89 2HB CYS 12 2HB CYS 12 10.251 -1.588 0.103 90 H GLU 13 H GLU 13 7.857 -2.226 0.799 91 HA GLU 13 HA GLU 13 8.432 -4.964 1.254 92 1HB GLU 13 1HB GLU 13 6.552 -2.975 2.613 93 2HB GLU 13 2HB GLU 13 6.561 -4.671 3.070 94 1HG GLU 13 1HG GLU 13 8.756 -4.674 3.702 95 2HG GLU 13 2HG GLU 13 9.102 -3.080 2.953 96 H ILE 14 H ILE 14 5.519 -3.462 -0.353 97 HA ILE 14 HA ILE 14 4.052 -5.855 -0.467 98 HB ILE 14 HB ILE 14 4.385 -3.468 -2.291 99 1HG1 ILE 14 1HG1 ILE 14 2.054 -3.100 -1.812 100 2HG1 ILE 14 2HG1 ILE 14 2.017 -4.488 -0.717 101 1HG2 ILE 14 2HG2 ILE 14 2.619 -5.886 -2.844 102 2HG2 ILE 14 3HG2 ILE 14 2.461 -4.317 -3.667 103 3HG2 ILE 14 1HG2 ILE 14 3.927 -5.260 -3.874 104 1HD1 ILE 14 2HD1 ILE 14 3.503 -1.904 -0.432 105 2HD1 ILE 14 3HD1 ILE 14 2.016 -2.320 0.387 106 3HD1 ILE 14 1HD1 ILE 14 3.493 -3.213 0.781 107 H GLN 15 H GLN 15 6.669 -4.679 -2.622 108 HA GLN 15 HA GLN 15 6.657 -7.024 -4.223 109 1HB GLN 15 1HB GLN 15 8.949 -5.058 -3.825 110 2HB GLN 15 2HB GLN 15 8.777 -6.263 -5.100 111 1HG GLN 15 1HG GLN 15 6.576 -5.106 -5.743 112 2HG GLN 15 2HG GLN 15 7.047 -3.799 -4.651 113 1HE2 GLN 15 1HE2 GLN 15 8.846 -4.150 -8.292 114 2HE2 GLN 15 2HE2 GLN 15 7.687 -5.365 -7.760 115 H LYS 16 H LYS 16 8.658 -6.080 -1.365 116 HA LYS 16 HA LYS 16 10.210 -8.463 -1.428 117 1HB LYS 16 1HB LYS 16 9.440 -6.995 1.170 118 2HB LYS 16 2HB LYS 16 10.873 -7.949 0.884 119 1HG LYS 16 1HG LYS 16 10.276 -5.129 -0.010 120 2HG LYS 16 2HG LYS 16 11.571 -5.701 0.995 121 1HD LYS 16 1HD LYS 16 11.289 -6.311 -1.983 122 2HD LYS 16 2HD LYS 16 12.337 -5.058 -1.273 123 1HE LYS 16 1HE LYS 16 13.424 -6.777 0.129 124 2HE LYS 16 2HE LYS 16 12.433 -8.023 -0.639 125 1HZ LYS 16 2HZ LYS 16 14.380 -6.297 -2.027 126 2HZ LYS 16 3HZ LYS 16 14.621 -7.879 -1.637 127 3HZ LYS 16 1HZ LYS 16 13.466 -7.469 -2.739 128 H CYS 17 HN CYX 17 7.158 -7.759 0.321 129 H LEU 18 H LEU 18 6.128 -9.193 -1.642 130 HA LEU 18 HA LEU 18 4.912 -11.589 -2.390 131 1HB LEU 18 1HB LEU 18 5.816 -9.146 -3.704 132 2HB LEU 18 2HB LEU 18 6.353 -10.496 -4.651 133 HG LEU 18 HG LEU 18 3.863 -11.350 -4.133 134 1HD1 LEU 18 1HD1 LEU 18 3.366 -9.336 -2.720 135 2HD1 LEU 18 2HD1 LEU 18 3.634 -8.283 -4.105 136 3HD1 LEU 18 3HD1 LEU 18 2.284 -9.422 -4.126 137 1HD2 LEU 18 2HD2 LEU 18 4.862 -10.844 -6.439 138 2HD2 LEU 18 3HD2 LEU 18 3.151 -10.413 -6.312 139 3HD2 LEU 18 1HD2 LEU 18 4.402 -9.153 -6.226 140 H GLN 19 H GLN 19 8.382 -10.727 -2.462 141 HA GLN 19 HA GLN 19 9.165 -13.252 -3.609 142 1HB GLN 19 1HB GLN 19 11.147 -11.888 -1.885 143 2HB GLN 19 2HB GLN 19 11.363 -12.582 -3.482 144 1HG GLN 19 1HG GLN 19 9.923 -10.016 -2.945 145 2HG GLN 19 2HG GLN 19 11.664 -10.041 -3.187 146 1HE2 GLN 19 1HE2 GLN 19 9.094 -9.637 -6.261 147 2HE2 GLN 19 2HE2 GLN 19 8.669 -9.403 -4.566 148 H ALA 20 H ALA 20 8.854 -12.162 -0.250 149 HA ALA 20 HA ALA 20 9.618 -14.629 0.932 150 1HB ALA 20 1HB ALA 20 9.474 -12.485 2.148 151 2HB ALA 20 2HB ALA 20 7.711 -12.482 1.955 152 3HB ALA 20 3HB ALA 20 8.492 -13.743 2.927 153 H ASN 21 H ASN 21 6.815 -13.957 -1.008 154 HA ASN 21 HA ASN 21 5.357 -16.351 0.022 155 1HB ASN 21 1HB ASN 21 4.349 -13.631 -0.825 156 2HB ASN 21 2HB ASN 21 3.348 -15.066 -0.681 157 1HD2 ASN 21 1HD2 ASN 21 4.612 -13.236 2.746 158 2HD2 ASN 21 2HD2 ASN 21 5.218 -12.711 1.159 159 H SER 22 H SER 22 7.349 -15.502 -2.484 160 HA SER 22 HA SER 22 7.648 -16.175 -4.568 161 1HB SER 22 1HB SER 22 5.699 -18.403 -4.049 162 2HB SER 22 2HB SER 22 6.980 -18.302 -5.298 163 HG SER 22 HG SER 22 7.617 -19.557 -3.449 164 H TYR 23 H TYR 23 5.981 -14.198 -4.225 165 HA TYR 23 HA TYR 23 4.840 -12.762 -5.276 166 1HB TYR 23 1HB TYR 23 4.985 -14.641 -7.602 167 2HB TYR 23 2HB TYR 23 4.769 -12.887 -7.687 168 HD1 TYR 23 HD2 TYR 23 6.918 -12.400 -5.223 169 HD2 TYR 23 HD1 TYR 23 7.079 -14.747 -8.879 170 HE1 TYR 23 HE2 TYR 23 9.084 -12.108 -5.212 171 HE2 TYR 23 HE1 TYR 23 9.544 -14.545 -8.792 172 HH TYR 23 HH TYR 23 11.131 -12.174 -6.580 173 H MET 24 H MET 24 3.446 -15.126 -4.042 174 HA MET 24 HA MET 24 0.754 -14.951 -5.006 175 1HB MET 24 1HB MET 24 1.827 -16.007 -2.353 176 2HB MET 24 2HB MET 24 0.191 -16.234 -2.994 177 1HG MET 24 1HG MET 24 1.264 -17.268 -5.046 178 2HG MET 24 2HG MET 24 2.788 -17.280 -4.213 179 1HE MET 24 2HE MET 24 2.656 -18.218 -1.438 180 2HE MET 24 3HE MET 24 2.569 -19.992 -1.554 181 3HE MET 24 1HE MET 24 3.623 -19.077 -2.654 182 H GLU 25 H GLU 25 0.787 -12.602 -5.184 183 HA GLU 25 HA GLU 25 0.794 -10.767 -3.151 184 1HB GLU 25 1HB GLU 25 0.708 -10.427 -5.628 185 2HB GLU 25 2HB GLU 25 -1.008 -10.868 -5.619 186 1HG GLU 25 1HG GLU 25 -1.576 -8.958 -4.314 187 2HG GLU 25 2HG GLU 25 0.116 -8.646 -3.901 188 H SER 26 H SER 26 -1.613 -13.257 -3.671 189 HA SER 26 HA SER 26 -3.821 -12.442 -2.243 190 1HB SER 26 1HB SER 26 -2.488 -15.155 -1.977 191 2HB SER 26 2HB SER 26 -4.221 -14.779 -2.047 192 HG SER 26 HG SER 26 -3.513 -15.605 -4.033 193 H LYS 27 H LYS 27 -0.613 -13.572 -1.023 194 HA LYS 27 HA LYS 27 -1.491 -13.552 1.734 195 1HB LYS 27 1HB LYS 27 1.358 -13.770 0.677 196 2HB LYS 27 2HB LYS 27 0.743 -14.242 2.265 197 1HG LYS 27 1HG LYS 27 -0.864 -15.792 0.763 198 2HG LYS 27 2HG LYS 27 0.471 -15.611 -0.401 199 1HD LYS 27 1HD LYS 27 1.944 -16.849 0.868 200 2HD LYS 27 2HD LYS 27 1.080 -16.550 2.388 201 1HE LYS 27 1HE LYS 27 0.821 -18.877 1.621 202 2HE LYS 27 2HE LYS 27 -0.727 -18.025 1.721 203 1HZ LYS 27 2HZ LYS 27 0.795 -18.497 -0.753 204 2HZ LYS 27 3HZ LYS 27 -0.552 -19.313 -0.277 205 3HZ LYS 27 1HZ LYS 27 -0.644 -17.711 -0.645 206 H CYS 28 HN CYX 28 0.466 -11.503 -0.466 207 H GLN 29 H GLN 29 -1.895 -10.028 0.243 208 HA GLN 29 HA GLN 29 -2.887 -7.397 -0.018 209 1HB GLN 29 1HB GLN 29 -4.173 -9.703 1.520 210 2HB GLN 29 2HB GLN 29 -4.997 -8.226 1.016 211 1HG GLN 29 1HG GLN 29 -3.848 -10.365 -0.809 212 2HG GLN 29 2HG GLN 29 -5.546 -10.020 -0.513 213 1HE2 GLN 29 1HE2 GLN 29 -3.513 -7.921 -3.319 214 2HE2 GLN 29 2HE2 GLN 29 -2.761 -9.256 -2.415 215 H ALA 30 H ALA 30 -1.847 -9.051 2.978 216 HA ALA 30 HA ALA 30 -2.724 -7.156 4.873 217 1HB ALA 30 1HB ALA 30 -1.676 -9.389 5.417 218 2HB ALA 30 2HB ALA 30 -0.104 -8.752 4.835 219 3HB ALA 30 3HB ALA 30 -0.866 -8.039 6.258 220 H VAL 31 H VAL 31 0.284 -7.222 2.869 221 HA VAL 31 HA VAL 31 1.301 -4.927 4.253 222 HB VAL 31 HB VAL 31 2.630 -6.921 3.684 223 1HG1 VAL 31 2HG1 VAL 31 2.153 -5.992 0.871 224 2HG1 VAL 31 3HG1 VAL 31 3.646 -6.840 1.325 225 3HG1 VAL 31 1HG1 VAL 31 2.101 -7.617 1.588 226 1HG2 VAL 31 2HG2 VAL 31 3.691 -4.853 4.255 227 2HG2 VAL 31 3HG2 VAL 31 4.630 -5.805 3.090 228 3HG2 VAL 31 1HG2 VAL 31 3.730 -4.367 2.532 229 H ILE 32 H ILE 32 -0.435 -5.578 1.152 230 HA ILE 32 HA ILE 32 -0.174 -2.917 0.159 231 HB ILE 32 HB ILE 32 -2.297 -5.071 -0.141 232 1HG1 ILE 32 1HG1 ILE 32 -1.682 -4.603 -2.661 233 2HG1 ILE 32 2HG1 ILE 32 -0.247 -3.821 -2.026 234 1HG2 ILE 32 1HG2 ILE 32 -3.386 -2.758 -0.191 235 2HG2 ILE 32 2HG2 ILE 32 -2.419 -2.437 -1.669 236 3HG2 ILE 32 3HG2 ILE 32 -3.590 -3.778 -1.600 237 1HD1 ILE 32 2HD1 ILE 32 -1.071 -6.729 -1.609 238 2HD1 ILE 32 3HD1 ILE 32 0.117 -6.144 -2.783 239 3HD1 ILE 32 1HD1 ILE 32 0.459 -5.991 -1.059 240 H GLN 33 H GLN 33 -2.476 -4.484 2.529 241 HA GLN 33 HA GLN 33 -3.795 -2.107 3.108 242 1HB GLN 33 1HB GLN 33 -4.474 -4.487 3.534 243 2HB GLN 33 2HB GLN 33 -3.447 -4.492 4.974 244 1HG GLN 33 1HG GLN 33 -4.735 -2.839 6.047 245 2HG GLN 33 2HG GLN 33 -5.462 -2.293 4.525 246 1HE2 GLN 33 1HE2 GLN 33 -7.742 -5.099 4.310 247 2HE2 GLN 33 2HE2 GLN 33 -6.644 -4.139 3.302 248 H GLU 34 H GLU 34 -0.540 -3.116 4.111 249 HA GLU 34 HA GLU 34 -0.407 -1.297 6.308 250 1HB GLU 34 1HB GLU 34 1.062 -3.336 5.916 251 2HB GLU 34 2HB GLU 34 1.874 -2.419 4.627 252 1HG GLU 34 1HG GLU 34 1.665 -0.679 6.786 253 2HG GLU 34 2HG GLU 34 2.139 -2.225 7.504 254 H LEU 35 H LEU 35 0.372 -1.153 2.875 255 HA LEU 35 HA LEU 35 1.592 1.437 2.712 256 1HB LEU 35 1HB LEU 35 0.514 -0.510 0.789 257 2HB LEU 35 2HB LEU 35 0.084 1.160 0.395 258 HG LEU 35 HG LEU 35 2.785 0.021 0.555 259 1HD1 LEU 35 1HD1 LEU 35 1.449 -0.526 -1.457 260 2HD1 LEU 35 2HD1 LEU 35 1.226 1.217 -1.748 261 3HD1 LEU 35 3HD1 LEU 35 2.821 0.514 -1.851 262 1HD2 LEU 35 1HD2 LEU 35 1.819 2.883 -0.072 263 2HD2 LEU 35 2HD2 LEU 35 2.815 2.457 1.323 264 3HD2 LEU 35 3HD2 LEU 35 3.482 2.314 -0.301 265 H ARG 36 H ARG 36 -1.666 0.284 2.966 266 HA ARG 36 HA ARG 36 -3.135 2.568 2.265 267 1HB ARG 36 1HB ARG 36 -3.534 -0.067 3.185 268 2HB ARG 36 2HB ARG 36 -4.232 0.906 4.463 269 1HG ARG 36 1HG ARG 36 -6.040 0.770 3.236 270 2HG ARG 36 2HG ARG 36 -5.278 2.115 2.340 271 1HD ARG 36 1HD ARG 36 -4.340 -0.304 1.178 272 2HD ARG 36 2HD ARG 36 -6.059 -0.576 1.463 273 HE ARG 36 HE ARG 36 -5.048 0.625 -0.705 274 1HH1 ARG 36 1HH2 ARG 36 -7.502 1.582 1.609 275 2HH1 ARG 36 2HH2 ARG 36 -8.052 2.989 0.722 276 1HH2 ARG 36 1HH1 ARG 36 -5.609 2.736 -1.823 277 2HH2 ARG 36 2HH1 ARG 36 -6.951 3.594 -1.152 278 H LYS 37 H LYS 37 -2.362 1.386 5.456 279 HA LYS 37 HA LYS 37 -3.213 3.667 6.921 280 1HB LYS 37 1HB LYS 37 -0.986 1.729 7.703 281 2HB LYS 37 2HB LYS 37 -1.911 2.747 8.811 282 1HG LYS 37 1HG LYS 37 -3.959 1.452 8.346 283 2HG LYS 37 2HG LYS 37 -3.097 0.490 7.138 284 1HD LYS 37 1HD LYS 37 -1.446 -0.145 9.004 285 2HD LYS 37 2HD LYS 37 -2.620 0.562 10.129 286 1HE LYS 37 1HE LYS 37 -3.125 -1.745 10.113 287 2HE LYS 37 2HE LYS 37 -4.352 -1.023 9.056 288 1HZ LYS 37 1HZ LYS 37 -2.953 -1.664 7.176 289 2HZ LYS 37 2HZ LYS 37 -1.882 -2.382 8.203 290 3HZ LYS 37 3HZ LYS 37 -3.414 -2.973 8.073 291 H CYS 38 HN CYX 38 -0.053 2.880 5.460 292 H CYS 39 HN CYX 39 -0.560 4.539 3.426 293 H ALA 40 H ALA 40 -2.712 5.922 4.085 294 HA ALA 40 HA ALA 40 -4.214 8.325 3.781 295 1HB ALA 40 1HB ALA 40 -5.261 6.101 4.132 296 2HB ALA 40 2HB ALA 40 -4.546 6.017 5.761 297 3HB ALA 40 3HB ALA 40 -5.775 7.246 5.386 298 H GLN 41 H GLN 41 -1.315 8.055 5.485 299 HA GLN 41 HA GLN 41 -2.085 9.474 7.877 300 1HB GLN 41 1HB GLN 41 0.126 7.996 6.997 301 2HB GLN 41 2HB GLN 41 0.639 9.629 6.787 302 1HG GLN 41 1HG GLN 41 0.534 10.223 8.956 303 2HG GLN 41 2HG GLN 41 -0.509 8.836 9.407 304 1HE2 GLN 41 1HE2 GLN 41 2.187 6.515 9.712 305 2HE2 GLN 41 2HE2 GLN 41 0.447 6.671 9.505 306 H TYR 42 H TYR 42 -1.767 10.134 4.470 307 HA TYR 42 HA TYR 42 -1.090 12.921 4.944 308 1HB TYR 42 1HB TYR 42 0.060 11.052 2.858 309 2HB TYR 42 2HB TYR 42 0.610 12.671 3.246 310 HD1 TYR 42 HD2 TYR 42 1.513 13.044 5.691 311 HD2 TYR 42 HD1 TYR 42 1.024 9.168 3.943 312 HE1 TYR 42 HE2 TYR 42 3.266 12.203 7.123 313 HE2 TYR 42 HE1 TYR 42 2.851 8.274 5.289 314 HH TYR 42 HH TYR 42 3.675 9.312 7.947 315 HA PRO 43 HA PRO 43 -3.531 13.565 1.126 316 1HB PRO 43 1HB PRO 43 -2.195 15.656 -0.050 317 2HB PRO 43 2HB PRO 43 -3.228 15.868 1.396 318 1HG PRO 43 1HG PRO 43 -0.209 15.567 1.292 319 2HG PRO 43 2HG PRO 43 -1.170 16.772 2.203 320 1HD PRO 43 1HD PRO 43 -0.211 14.512 3.401 321 2HD PRO 43 2HD PRO 43 -1.797 15.175 3.829 322 H LYS 44 H LYS 44 -3.309 12.439 -0.859 323 HA LYS 44 HA LYS 44 -1.180 10.791 -1.341 324 1HB LYS 44 1HB LYS 44 -2.024 10.534 -3.680 325 2HB LYS 44 2HB LYS 44 -3.200 10.321 -2.417 326 1HG LYS 44 1HG LYS 44 -4.445 11.528 -3.917 327 2HG LYS 44 2HG LYS 44 -3.879 12.812 -2.882 328 1HD LYS 44 1HD LYS 44 -3.377 13.820 -4.838 329 2HD LYS 44 2HD LYS 44 -1.896 12.867 -4.787 330 1HE LYS 44 1HE LYS 44 -4.459 12.079 -6.228 331 2HE LYS 44 2HE LYS 44 -3.029 12.805 -6.982 332 1HZ LYS 44 1HZ LYS 44 -1.764 10.897 -6.235 333 2HZ LYS 44 2HZ LYS 44 -3.136 10.200 -5.640 334 3HZ LYS 44 3HZ LYS 44 -2.990 10.464 -7.258 335 H GLY 45 H GLY 45 -1.318 14.134 -2.409 336 1HA GLY 45 1HA GLY 45 0.706 14.047 -4.389 337 2HA GLY 45 2HA GLY 45 0.242 15.472 -3.447 338 H ARG 46 H ARG 46 1.049 13.623 -0.929 339 HA ARG 46 HA ARG 46 3.724 14.644 -0.770 340 1HB ARG 46 1HB ARG 46 3.477 14.309 1.403 341 2HB ARG 46 2HB ARG 46 1.811 13.997 1.084 342 1HG ARG 46 1HG ARG 46 1.974 11.892 1.888 343 2HG ARG 46 2HG ARG 46 3.218 11.425 0.836 344 1HD ARG 46 1HD ARG 46 3.618 12.957 3.407 345 2HD ARG 46 2HD ARG 46 3.959 11.240 3.118 346 HE ARG 46 HE ARG 46 5.407 12.492 1.156 347 1HH1 ARG 46 1HH2 ARG 46 5.199 13.078 4.599 348 2HH1 ARG 46 2HH2 ARG 46 6.815 13.685 4.812 349 1HH2 ARG 46 1HH1 ARG 46 7.653 13.052 1.373 350 2HH2 ARG 46 2HH1 ARG 46 8.207 13.776 2.852 351 H SER 47 H SER 47 2.466 11.726 -2.234 352 HA SER 47 HA SER 47 5.113 10.551 -2.262 353 1HB SER 47 1HB SER 47 4.533 9.596 -0.282 354 2HB SER 47 2HB SER 47 2.801 9.557 -0.629 355 HG SER 47 HG SER 47 4.808 7.739 -1.125 356 H VAL 48 H VAL 48 5.481 9.179 -3.818 357 HA VAL 48 HA VAL 48 3.791 9.381 -6.135 358 HB VAL 48 HB VAL 48 6.206 7.551 -5.879 359 1HG1 VAL 48 1HG1 VAL 48 4.736 7.363 -7.880 360 2HG1 VAL 48 2HG1 VAL 48 4.957 9.089 -8.202 361 3HG1 VAL 48 3HG1 VAL 48 6.346 7.979 -8.309 362 1HG2 VAL 48 1HG2 VAL 48 6.230 10.550 -6.428 363 2HG2 VAL 48 2HG2 VAL 48 7.050 9.688 -5.101 364 3HG2 VAL 48 3HG2 VAL 48 7.583 9.447 -6.764 365 H VAL 49 H VAL 49 4.880 6.670 -3.990 366 HA VAL 49 HA VAL 49 3.334 4.755 -5.351 367 HB VAL 49 HB VAL 49 3.939 3.244 -3.692 368 1HG1 VAL 49 1HG1 VAL 49 5.887 4.293 -4.981 369 2HG1 VAL 49 2HG1 VAL 49 6.224 5.254 -3.511 370 3HG1 VAL 49 3HG1 VAL 49 6.312 3.498 -3.465 371 1HG2 VAL 49 1HG2 VAL 49 4.467 5.575 -1.800 372 2HG2 VAL 49 2HG2 VAL 49 3.159 4.368 -1.681 373 3HG2 VAL 49 3HG2 VAL 49 4.839 3.877 -1.490 374 H CYS 50 HN CYX 50 2.562 6.772 -2.469 375 H SER 51 H SER 51 1.129 8.029 -4.320 376 HA SER 51 HA SER 51 -1.506 8.836 -5.080 377 1HB SER 51 1HB SER 51 1.143 8.963 -6.574 378 2HB SER 51 2HB SER 51 -0.374 9.660 -7.142 379 HG SER 51 HG SER 51 1.112 10.337 -4.796 380 H GLY 52 H GLY 52 0.540 6.020 -5.825 381 1HA GLY 52 1HA GLY 52 -1.150 4.953 -7.984 382 2HA GLY 52 2HA GLY 52 -0.011 4.060 -6.891 383 H PHE 53 H PHE 53 -0.968 4.978 -4.520 384 HA PHE 53 HA PHE 53 -2.555 2.722 -4.161 385 1HB PHE 53 1HB PHE 53 -0.584 3.936 -2.845 386 2HB PHE 53 2HB PHE 53 -1.947 4.605 -1.916 387 HD1 PHE 53 HD2 PHE 53 -0.686 1.490 -3.599 388 HD2 PHE 53 HD1 PHE 53 -2.704 3.264 -0.210 389 HE1 PHE 53 HE2 PHE 53 -0.845 -0.708 -2.577 390 HE2 PHE 53 HE1 PHE 53 -2.721 1.013 0.837 391 HZ PHE 53 HZ PHE 53 -1.980 -0.909 -0.344 392 H GLU 54 H GLU 54 -3.294 6.097 -3.405 393 HA GLU 54 HA GLU 54 -6.004 5.474 -2.718 394 1HB GLU 54 1HB GLU 54 -4.956 8.109 -3.780 395 2HB GLU 54 2HB GLU 54 -6.551 7.817 -3.067 396 1HG GLU 54 1HG GLU 54 -4.989 6.745 -1.069 397 2HG GLU 54 2HG GLU 54 -3.861 7.912 -1.731 398 H LYS 55 H LYS 55 -4.447 5.494 -5.891 399 HA LYS 55 HA LYS 55 -6.997 5.302 -7.233 400 1HB LYS 55 1HB LYS 55 -5.940 5.847 -9.060 401 2HB LYS 55 2HB LYS 55 -4.550 6.151 -8.063 402 1HG LYS 55 1HG LYS 55 -3.492 4.858 -9.530 403 2HG LYS 55 2HG LYS 55 -4.121 3.498 -8.609 404 1HD LYS 55 1HD LYS 55 -6.075 3.369 -10.158 405 2HD LYS 55 2HD LYS 55 -5.372 4.681 -11.120 406 1HE LYS 55 1HE LYS 55 -4.046 1.995 -10.542 407 2HE LYS 55 2HE LYS 55 -4.880 2.417 -12.047 408 1HZ LYS 55 2HZ LYS 55 -2.497 3.768 -10.987 409 2HZ LYS 55 3HZ LYS 55 -2.515 2.688 -12.231 410 3HZ LYS 55 1HZ LYS 55 -3.268 4.146 -12.393 411 H GLU 56 H GLU 56 -4.701 3.039 -5.830 412 HA GLU 56 HA GLU 56 -5.737 0.587 -6.738 413 1HB GLU 56 1HB GLU 56 -4.180 -0.097 -5.216 414 2HB GLU 56 2HB GLU 56 -4.122 1.523 -4.636 415 1HG GLU 56 1HG GLU 56 -4.377 0.562 -2.703 416 2HG GLU 56 2HG GLU 56 -6.061 0.865 -3.022 417 H GLU 57 H GLU 57 -6.871 2.771 -4.299 418 HA GLU 57 HA GLU 57 -9.183 1.391 -3.434 419 1HB GLU 57 1HB GLU 57 -8.114 3.715 -2.636 420 2HB GLU 57 2HB GLU 57 -9.389 4.394 -3.634 421 1HG GLU 57 1HG GLU 57 -11.108 3.217 -2.362 422 2HG GLU 57 2HG GLU 57 -9.884 2.303 -1.470 423 H GLU 58 H GLU 58 -8.796 3.440 -6.285 424 HA GLU 58 HA GLU 58 -11.572 3.290 -7.081 425 1HB GLU 58 1HB GLU 58 -10.568 5.107 -8.079 426 2HB GLU 58 2HB GLU 58 -9.039 4.304 -8.332 427 1HG GLU 58 1HG GLU 58 -10.146 4.802 -10.446 428 2HG GLU 58 2HG GLU 58 -9.862 3.082 -10.241 429 H GLU 59 H GLU 59 -8.567 1.537 -7.995 430 HA GLU 59 HA GLU 59 -9.732 -0.289 -9.785 431 1HB GLU 59 1HB GLU 59 -7.332 0.049 -9.524 432 2HB GLU 59 2HB GLU 59 -7.382 -0.671 -7.910 433 1HG GLU 59 1HG GLU 59 -7.944 -2.838 -8.787 434 2HG GLU 59 2HG GLU 59 -8.171 -2.181 -10.422 435 H ASN 60 H ASN 60 -9.745 -0.378 -6.326 436 HA ASN 60 HA ASN 60 -10.634 -3.039 -5.912 437 1HB ASN 60 1HB ASN 60 -10.945 -0.469 -4.369 438 2HB ASN 60 2HB ASN 60 -11.753 -1.920 -3.808 439 1HD2 ASN 60 1HD2 ASN 60 -7.617 -2.266 -3.901 440 2HD2 ASN 60 2HD2 ASN 60 -8.413 -1.354 -5.164 441 H LEU 61 H LEU 61 -12.447 -0.237 -7.013 442 HA LEU 61 HA LEU 61 -15.041 -1.128 -6.425 443 1HB LEU 61 1HB LEU 61 -15.838 0.502 -7.701 444 2HB LEU 61 2HB LEU 61 -14.238 1.087 -7.420 445 HG LEU 61 HG LEU 61 -14.283 1.624 -9.542 446 1HD1 LEU 61 1HD1 LEU 61 -12.747 -0.470 -9.714 447 2HD1 LEU 61 2HD1 LEU 61 -14.102 -1.175 -10.630 448 3HD1 LEU 61 3HD1 LEU 61 -13.340 0.315 -11.176 449 1HD2 LEU 61 2HD2 LEU 61 -16.679 1.252 -9.737 450 2HD2 LEU 61 3HD2 LEU 61 -15.872 0.783 -11.240 451 3HD2 LEU 61 1HD2 LEU 61 -16.416 -0.470 -10.099 452 H THR 62 H THR 62 -12.847 -2.606 -8.619 453 HA THR 62 HA THR 62 -14.649 -4.117 -10.224 454 HB THR 62 HB THR 62 -12.654 -5.662 -10.417 455 HG1 THR 62 HG1 THR 62 -11.171 -3.689 -8.973 456 1HG2 THR 62 1HG2 THR 62 -12.947 -3.779 -11.974 457 2HG2 THR 62 2HG2 THR 62 -12.044 -2.718 -10.871 458 3HG2 THR 62 3HG2 THR 62 -11.232 -4.097 -11.637 459 H ARG 63 H ARG 63 -12.738 -5.068 -7.436 460 HA ARG 63 HA ARG 63 -14.098 -7.463 -6.824 461 1HB ARG 63 1HB ARG 63 -11.805 -6.568 -5.998 462 2HB ARG 63 2HB ARG 63 -12.693 -5.780 -4.695 463 1HG ARG 63 1HG ARG 63 -12.949 -8.750 -5.330 464 2HG ARG 63 2HG ARG 63 -11.655 -8.137 -4.312 465 1HD ARG 63 1HD ARG 63 -13.049 -7.572 -2.551 466 2HD ARG 63 2HD ARG 63 -14.494 -7.447 -3.536 467 HE ARG 63 HE ARG 63 -13.305 -9.843 -2.398 468 1HH1 ARG 63 1HH2 ARG 63 -15.741 -8.568 -4.684 469 2HH1 ARG 63 2HH2 ARG 63 -16.536 -10.085 -4.898 470 1HH2 ARG 63 1HH1 ARG 63 -14.385 -11.866 -2.686 471 2HH2 ARG 63 2HH1 ARG 63 -15.768 -11.985 -3.715 472 H LYS 64 H LYS 64 -14.521 -4.237 -5.504 473 HA LYS 64 HA LYS 64 -17.090 -3.668 -5.254 474 1HB LYS 64 1HB LYS 64 -16.418 -5.712 -3.165 475 2HB LYS 64 2HB LYS 64 -17.362 -4.323 -2.648 476 1HG LYS 64 1HG LYS 64 -19.213 -4.839 -4.001 477 2HG LYS 64 2HG LYS 64 -18.293 -5.932 -5.034 478 1HD LYS 64 1HD LYS 64 -19.661 -7.285 -3.563 479 2HD LYS 64 2HD LYS 64 -17.965 -7.479 -3.106 480 1HE LYS 64 1HE LYS 64 -18.484 -5.546 -1.379 481 2HE LYS 64 2HE LYS 64 -20.175 -5.968 -1.676 482 1HZ LYS 64 1HZ LYS 64 -19.601 -8.234 -1.030 483 2HZ LYS 64 2HZ LYS 64 -18.047 -7.765 -0.717 484 3HZ LYS 64 3HZ LYS 64 -19.285 -7.155 0.179 485 H SER 65 H SER 65 -16.941 -1.540 -4.595 486 HA SER 65 HA SER 65 -14.639 -0.433 -3.648 487 1HB SER 65 1HB SER 65 -17.431 0.645 -3.215 488 2HB SER 65 2HB SER 65 -15.974 1.613 -3.567 489 HG SER 65 HG SER 65 -17.229 1.399 -5.439 490 H ALA 66 H ALA 66 -16.766 -1.924 -1.972 491 HA ALA 66 HA ALA 66 -15.656 -1.338 0.669 492 1HB ALA 66 1HB ALA 66 -17.607 0.144 0.621 493 2HB ALA 66 2HB ALA 66 -18.667 -1.225 0.214 494 3HB ALA 66 3HB ALA 66 -17.867 -1.160 1.797 495 H SER 67 H SER 67 -14.634 -3.403 0.271 496 HA SER 67 HA SER 67 -16.246 -5.505 1.435 497 1HB SER 67 1HB SER 67 -16.468 -5.874 -0.986 498 2HB SER 67 2HB SER 67 -14.699 -5.960 -1.149 499 HG SER 67 HG SER 67 -14.825 -7.683 0.410 500 H LYS 68 H LYS 68 -14.206 -3.799 2.429 501 HA LYS 68 HA LYS 68 -12.434 -5.806 3.553 502 1HB LYS 68 1HB LYS 68 -11.424 -3.258 2.229 503 2HB LYS 68 2HB LYS 68 -10.527 -4.064 3.522 504 1HG LYS 68 1HG LYS 68 -10.536 -6.178 2.201 505 2HG LYS 68 2HG LYS 68 -11.249 -5.316 0.834 506 1HD LYS 68 1HD LYS 68 -8.644 -4.364 2.098 507 2HD LYS 68 2HD LYS 68 -8.668 -5.715 0.968 508 1HE LYS 68 1HE LYS 68 -8.134 -3.804 -0.312 509 2HE LYS 68 2HE LYS 68 -9.787 -4.264 -0.726 510 1HZ LYS 68 1HZ LYS 68 -10.542 -2.514 0.755 511 2HZ LYS 68 2HZ LYS 68 -8.973 -2.055 1.037 512 3HZ LYS 68 3HZ LYS 68 -9.612 -1.965 -0.487 No H/Q in entry = 512
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