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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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5056 |
1gbq ![]() ![]() |
cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 H MET 1 HN MET 1 6.172 3.455 4.193 2 HA MET 1 HA MET 1 8.073 1.171 4.056 3 1HB MET 1 HB2 MET 1 6.447 0.631 5.653 4 2HB MET 1 HB1 MET 1 5.151 1.389 4.847 5 1HG MET 1 HG1 MET 1 4.674 -0.443 3.489 6 2HG MET 1 HG2 MET 1 6.328 -1.006 3.430 7 1HE MET 1 HE1 MET 1 4.543 0.014 6.680 8 2HE MET 1 HE3 MET 1 3.164 -0.817 5.975 9 3HE MET 1 HE2 MET 1 4.032 -1.505 7.382 10 H GLU 2 HN GLU 2 8.408 -0.028 2.331 11 HA GLU 2 HA GLU 2 7.387 1.013 -0.214 12 1HB GLU 2 HB2 GLU 2 9.303 -1.301 0.420 13 2HB GLU 2 HB1 GLU 2 8.685 -0.977 -1.170 14 1HG GLU 2 HG2 GLU 2 9.636 1.421 -0.951 15 2HG GLU 2 HG1 GLU 2 10.491 0.856 0.474 16 H ALA 3 HN ALA 3 5.471 0.537 -0.754 17 HA ALA 3 HA ALA 3 4.174 -1.981 0.098 18 1HB ALA 3 HB1 ALA 3 3.370 0.907 -0.313 19 2HB ALA 3 HB2 ALA 3 2.133 -0.271 -0.667 20 3HB ALA 3 HB3 ALA 3 2.857 -0.223 0.925 21 H ILE 4 HN ILE 4 3.401 -3.368 -1.391 22 HA ILE 4 HA ILE 4 3.785 -2.696 -4.252 23 HB ILE 4 HB ILE 4 4.897 -5.123 -2.791 24 1HG1 ILE 4 HG11 ILE 4 6.397 -2.903 -4.272 25 2HG1 ILE 4 HG12 ILE 4 6.301 -3.063 -2.536 26 1HG2 ILE 4 HG23 ILE 4 4.040 -5.795 -5.039 27 2HG2 ILE 4 HG22 ILE 4 4.968 -4.503 -5.794 28 3HG2 ILE 4 HG21 ILE 4 5.779 -5.869 -5.029 29 1HD1 ILE 4 HD12 ILE 4 7.467 -5.291 -2.684 30 2HD1 ILE 4 HD13 ILE 4 7.699 -5.020 -4.413 31 3HD1 ILE 4 HD11 ILE 4 8.436 -3.935 -3.247 32 H ALA 5 HN ALA 5 1.971 -3.051 -5.198 33 HA ALA 5 HA ALA 5 -0.177 -4.530 -4.029 34 1HB ALA 5 HB3 ALA 5 0.340 -3.469 -6.854 35 2HB ALA 5 HB2 ALA 5 -1.199 -4.146 -6.348 36 3HB ALA 5 HB1 ALA 5 -0.557 -2.671 -5.587 37 H LYS 6 HN LYS 6 -0.533 -6.602 -4.001 38 HA LYS 6 HA LYS 6 0.968 -8.563 -5.630 39 1HB LYS 6 HB2 LYS 6 -1.073 -8.809 -3.382 40 2HB LYS 6 HB1 LYS 6 -0.449 -10.178 -4.279 41 1HG LYS 6 HG2 LYS 6 1.896 -8.986 -3.750 42 2HG LYS 6 HG1 LYS 6 0.980 -8.352 -2.412 43 1HD LYS 6 HD2 LYS 6 0.893 -11.310 -3.069 44 2HD LYS 6 HD1 LYS 6 2.290 -10.689 -2.272 45 1HE LYS 6 HE1 LYS 6 0.732 -9.680 -0.462 46 2HE LYS 6 HE2 LYS 6 -0.569 -10.623 -1.179 47 1HZ LYS 6 HZ3 LYS 6 0.736 -12.607 -0.772 48 2HZ LYS 6 HZ2 LYS 6 1.959 -11.653 -0.074 49 3HZ LYS 6 HZ1 LYS 6 0.427 -11.729 0.652 50 H TYR 7 HN TYR 7 -2.080 -7.022 -5.397 51 HA TYR 7 HA TYR 7 -3.103 -8.540 -7.758 52 1HB TYR 7 HB2 TYR 7 -4.763 -7.965 -5.249 53 2HB TYR 7 HB1 TYR 7 -5.326 -8.800 -6.699 54 HD1 TYR 7 HD1 TYR 7 -4.405 -11.108 -7.211 55 HD2 TYR 7 HD2 TYR 7 -3.489 -9.051 -3.588 56 HE1 TYR 7 HE1 TYR 7 -3.670 -13.165 -6.283 57 HE2 TYR 7 HE2 TYR 7 -2.733 -11.060 -2.568 58 HH TYR 7 HH TYR 7 -3.359 -14.023 -3.292 59 H ASP 8 HN ASP 8 -5.054 -7.604 -8.627 60 HA ASP 8 HA ASP 8 -4.617 -4.719 -8.938 61 1HB ASP 8 HB2 ASP 8 -6.103 -4.914 -10.892 62 2HB ASP 8 HB1 ASP 8 -4.842 -6.119 -10.975 63 H PHE 9 HN PHE 9 -5.813 -3.264 -8.115 64 HA PHE 9 HA PHE 9 -8.444 -3.991 -6.900 65 1HB PHE 9 HB2 PHE 9 -6.542 -4.020 -5.137 66 2HB PHE 9 HB1 PHE 9 -6.393 -2.281 -5.427 67 HD1 PHE 9 HD1 PHE 9 -9.093 -4.783 -4.864 68 HD2 PHE 9 HD2 PHE 9 -7.579 -0.909 -3.895 69 HE1 PHE 9 HE1 PHE 9 -11.007 -4.405 -3.381 70 HE2 PHE 9 HE2 PHE 9 -9.482 -0.544 -2.371 71 HZ PHE 9 HZ PHE 9 -11.205 -2.322 -2.098 72 H LYS 10 HN LYS 10 -9.925 -2.749 -7.264 73 HA LYS 10 HA LYS 10 -9.485 0.012 -8.198 74 1HB LYS 10 HB2 LYS 10 -10.729 -1.759 -9.566 75 2HB LYS 10 HB1 LYS 10 -11.927 -1.842 -8.314 76 1HG LYS 10 HG2 LYS 10 -13.028 -0.184 -9.378 77 2HG LYS 10 HG1 LYS 10 -11.823 0.890 -8.759 78 1HD LYS 10 HD2 LYS 10 -11.950 1.290 -11.125 79 2HD LYS 10 HD1 LYS 10 -10.411 0.522 -10.797 80 1HE LYS 10 HE1 LYS 10 -11.725 -0.365 -12.858 81 2HE LYS 10 HE2 LYS 10 -11.136 -1.582 -11.745 82 1HZ LYS 10 HZ3 LYS 10 -13.289 -1.639 -10.730 83 2HZ LYS 10 HZ2 LYS 10 -13.869 -0.503 -11.847 84 3HZ LYS 10 HZ1 LYS 10 -13.349 -2.035 -12.378 85 H ALA 11 HN ALA 11 -9.918 1.575 -6.622 86 HA ALA 11 HA ALA 11 -10.878 1.066 -4.055 87 1HB ALA 11 HB2 ALA 11 -9.959 3.319 -4.606 88 2HB ALA 11 HB1 ALA 11 -11.520 3.737 -5.401 89 3HB ALA 11 HB3 ALA 11 -11.460 3.386 -3.722 90 H THR 12 HN THR 12 -12.602 1.575 -2.900 91 HA THR 12 HA THR 12 -15.242 0.973 -4.121 92 HB THR 12 HB THR 12 -15.796 0.082 -1.945 93 HG1 THR 12 HG1 THR 12 -13.319 1.237 -0.705 94 1HG2 THR 12 HG21 THR 12 -13.080 -0.985 -2.911 95 2HG2 THR 12 HG23 THR 12 -14.144 -1.782 -1.737 96 3HG2 THR 12 HG22 THR 12 -14.695 -1.426 -3.359 97 H ALA 13 HN ALA 13 -13.396 3.339 -2.528 98 HA ALA 13 HA ALA 13 -15.743 5.155 -2.323 99 1HB ALA 13 HB1 ALA 13 -15.488 3.915 -0.111 100 2HB ALA 13 HB2 ALA 13 -13.841 4.513 0.022 101 3HB ALA 13 HB3 ALA 13 -15.194 5.641 0.082 102 H ASP 14 HN ASP 14 -15.140 7.236 -1.518 103 HA ASP 14 HA ASP 14 -13.359 8.472 -3.341 104 1HB ASP 14 HB2 ASP 14 -15.577 9.263 -2.448 105 2HB ASP 14 HB1 ASP 14 -14.867 9.514 -0.873 106 H ASP 15 HN ASP 15 -12.987 7.346 -0.082 107 HA ASP 15 HA ASP 15 -10.654 9.016 0.497 108 1HB ASP 15 HB2 ASP 15 -10.747 7.814 2.720 109 2HB ASP 15 HB1 ASP 15 -12.202 8.636 2.217 110 H GLU 16 HN GLU 16 -11.387 6.047 -0.817 111 HA GLU 16 HA GLU 16 -8.662 4.870 -0.624 112 1HB GLU 16 HB2 GLU 16 -11.389 3.909 -1.610 113 2HB GLU 16 HB1 GLU 16 -9.962 3.010 -2.043 114 1HG GLU 16 HG2 GLU 16 -9.396 2.620 0.286 115 2HG GLU 16 HG1 GLU 16 -10.747 3.590 0.840 116 H LEU 17 HN LEU 17 -7.560 4.209 -2.331 117 HA LEU 17 HA LEU 17 -8.346 5.079 -5.098 118 1HB LEU 17 HB2 LEU 17 -6.298 6.132 -5.678 119 2HB LEU 17 HB1 LEU 17 -6.925 6.851 -4.238 120 HG LEU 17 HG LEU 17 -5.265 5.206 -2.981 121 1HD1 LEU 17 HD12 LEU 17 -4.451 3.978 -5.058 122 2HD1 LEU 17 HD13 LEU 17 -3.833 5.534 -5.677 123 3HD1 LEU 17 HD11 LEU 17 -3.172 4.826 -4.217 124 1HD2 LEU 17 HD23 LEU 17 -5.183 7.735 -3.115 125 2HD2 LEU 17 HD22 LEU 17 -3.605 6.937 -2.941 126 3HD2 LEU 17 HD21 LEU 17 -4.120 7.590 -4.498 127 H SER 18 HN SER 18 -7.342 4.298 -6.766 128 HA SER 18 HA SER 18 -7.175 1.386 -6.597 129 1HB SER 18 HB2 SER 18 -6.854 3.371 -8.961 130 2HB SER 18 HB1 SER 18 -7.253 1.675 -9.116 131 HG SER 18 HG SER 18 -9.516 3.194 -7.825 132 H PHE 19 HN PHE 19 -5.818 0.216 -7.667 133 HA PHE 19 HA PHE 19 -3.228 1.038 -8.698 134 1HB PHE 19 HB2 PHE 19 -1.875 -0.452 -7.153 135 2HB PHE 19 HB1 PHE 19 -2.559 0.943 -6.373 136 HD1 PHE 19 HD2 PHE 19 -4.274 0.783 -4.694 137 HD2 PHE 19 HD1 PHE 19 -2.775 -2.763 -6.593 138 HE1 PHE 19 HE2 PHE 19 -5.180 -0.594 -2.884 139 HE2 PHE 19 HE1 PHE 19 -3.603 -4.102 -4.745 140 HZ PHE 19 HZ PHE 19 -4.801 -3.033 -2.860 141 H LYS 20 HN LYS 20 -2.134 -0.575 -9.716 142 HA LYS 20 HA LYS 20 -3.858 -2.849 -10.570 143 1HB LYS 20 HB2 LYS 20 -1.490 -1.435 -11.906 144 2HB LYS 20 HB1 LYS 20 -2.333 -2.779 -12.619 145 1HG LYS 20 HG2 LYS 20 -4.332 -1.529 -12.968 146 2HG LYS 20 HG1 LYS 20 -3.888 -0.259 -11.866 147 1HD LYS 20 HD2 LYS 20 -2.332 -0.812 -14.430 148 2HD LYS 20 HD1 LYS 20 -3.687 0.290 -14.346 149 1HE LYS 20 HE1 LYS 20 -2.501 1.660 -12.614 150 2HE LYS 20 HE2 LYS 20 -1.114 0.581 -12.702 151 1HZ LYS 20 HZ2 LYS 20 -2.186 2.197 -14.921 152 2HZ LYS 20 HZ1 LYS 20 -0.807 2.532 -13.991 153 3HZ LYS 20 HZ3 LYS 20 -0.841 1.164 -14.991 154 H ARG 21 HN ARG 21 -3.089 -4.800 -10.386 155 HA ARG 21 HA ARG 21 -1.323 -5.729 -8.573 156 1HB ARG 21 HB2 ARG 21 -2.854 -7.065 -10.040 157 2HB ARG 21 HB1 ARG 21 -1.733 -6.976 -11.354 158 1HG ARG 21 HG2 ARG 21 -0.634 -8.018 -8.761 159 2HG ARG 21 HG1 ARG 21 -1.855 -9.005 -9.533 160 1HD ARG 21 HD2 ARG 21 -0.379 -8.838 -11.694 161 2HD ARG 21 HD1 ARG 21 0.909 -8.300 -10.589 162 HE ARG 21 HE ARG 21 -0.357 -10.613 -9.537 163 1HH1 ARG 21 HH21 ARG 21 1.736 -9.588 -12.189 164 2HH1 ARG 21 HH22 ARG 21 2.441 -11.152 -12.411 165 1HH2 ARG 21 HH11 ARG 21 0.578 -12.657 -9.865 166 2HH2 ARG 21 HH12 ARG 21 1.777 -12.903 -11.091 167 H GLY 22 HN GLY 22 0.518 -4.654 -8.253 168 1HA GLY 22 HA2 GLY 22 2.916 -5.228 -8.568 169 2HA GLY 22 HA1 GLY 22 2.706 -4.843 -10.292 170 H ASP 23 HN ASP 23 0.896 -2.456 -8.367 171 HA ASP 23 HA ASP 23 2.820 -0.535 -9.239 172 1HB ASP 23 HB2 ASP 23 0.343 -0.262 -7.387 173 2HB ASP 23 HB1 ASP 23 1.401 1.000 -7.850 174 H ILE 24 HN ILE 24 3.971 0.864 -8.067 175 HA ILE 24 HA ILE 24 4.883 -0.097 -5.413 176 HB ILE 24 HB ILE 24 6.296 1.770 -7.359 177 1HG1 ILE 24 HG11 ILE 24 6.755 -1.175 -6.673 178 2HG1 ILE 24 HG12 ILE 24 6.198 -0.552 -8.203 179 1HG2 ILE 24 HG23 ILE 24 6.844 2.210 -4.932 180 2HG2 ILE 24 HG21 ILE 24 7.314 0.525 -4.754 181 3HG2 ILE 24 HG22 ILE 24 8.225 1.598 -5.816 182 1HD1 ILE 24 HD11 ILE 24 8.420 0.676 -8.452 183 2HD1 ILE 24 HD13 ILE 24 8.981 -0.162 -7.002 184 3HD1 ILE 24 HD12 ILE 24 8.548 -1.082 -8.435 185 H LEU 25 HN LEU 25 3.971 0.809 -3.836 186 HA LEU 25 HA LEU 25 2.660 3.404 -3.921 187 1HB LEU 25 HB2 LEU 25 2.723 0.781 -2.394 188 2HB LEU 25 HB1 LEU 25 1.888 2.086 -1.622 189 HG LEU 25 HG LEU 25 0.148 1.970 -3.063 190 1HD1 LEU 25 HD13 LEU 25 1.309 2.276 -5.248 191 2HD1 LEU 25 HD11 LEU 25 1.691 0.555 -5.256 192 3HD1 LEU 25 HD12 LEU 25 0.025 1.083 -5.296 193 1HD2 LEU 25 HD21 LEU 25 0.318 -0.285 -1.915 194 2HD2 LEU 25 HD22 LEU 25 -0.488 -0.389 -3.493 195 3HD2 LEU 25 HD23 LEU 25 1.181 -0.888 -3.330 196 H LYS 26 HN LYS 26 2.740 4.588 -2.031 197 HA LYS 26 HA LYS 26 5.211 4.202 -0.377 198 1HB LYS 26 HB2 LYS 26 5.334 6.092 -2.233 199 2HB LYS 26 HB1 LYS 26 4.348 7.003 -1.115 200 1HG LYS 26 HG2 LYS 26 6.099 6.354 0.683 201 2HG LYS 26 HG1 LYS 26 7.121 5.896 -0.666 202 1HD LYS 26 HD2 LYS 26 7.605 8.066 -1.193 203 2HD LYS 26 HD1 LYS 26 5.944 8.571 -1.049 204 1HE LYS 26 HE1 LYS 26 6.197 8.524 1.490 205 2HE LYS 26 HE2 LYS 26 7.923 8.249 1.251 206 1HZ LYS 26 HZ1 LYS 26 6.390 10.508 0.128 207 2HZ LYS 26 HZ2 LYS 26 7.320 10.590 1.547 208 3HZ LYS 26 HZ3 LYS 26 8.065 10.279 0.053 209 H VAL 27 HN VAL 27 4.742 3.760 1.559 210 HA VAL 27 HA VAL 27 2.077 4.518 2.547 211 HB VAL 27 HB VAL 27 4.270 2.861 3.779 212 1HG1 VAL 27 HG11 VAL 27 2.630 3.607 5.497 213 2HG1 VAL 27 HG12 VAL 27 1.301 2.984 4.515 214 3HG1 VAL 27 HG13 VAL 27 2.493 1.881 5.206 215 1HG2 VAL 27 HG22 VAL 27 1.911 1.997 2.033 216 2HG2 VAL 27 HG23 VAL 27 3.612 1.792 1.699 217 3HG2 VAL 27 HG21 VAL 27 2.877 0.885 3.008 218 H LEU 28 HN LEU 28 1.888 6.358 3.236 219 HA LEU 28 HA LEU 28 4.028 7.921 4.477 220 1HB LEU 28 HB2 LEU 28 2.498 8.704 2.591 221 2HB LEU 28 HB1 LEU 28 1.134 8.496 3.634 222 HG LEU 28 HG LEU 28 2.223 10.220 5.230 223 1HD1 LEU 28 HD13 LEU 28 3.958 10.757 2.771 224 2HD1 LEU 28 HD11 LEU 28 3.872 11.776 4.207 225 3HD1 LEU 28 HD12 LEU 28 4.537 10.153 4.325 226 1HD2 LEU 28 HD23 LEU 28 0.290 10.747 3.750 227 2HD2 LEU 28 HD21 LEU 28 1.365 12.130 3.926 228 3HD2 LEU 28 HD22 LEU 28 1.400 11.173 2.447 229 H ASN 29 HN ASN 29 0.940 6.339 5.241 230 HA ASN 29 HA ASN 29 1.526 6.742 8.081 231 1HB ASN 29 HB2 ASN 29 0.122 8.769 7.021 232 2HB ASN 29 HB1 ASN 29 -1.227 7.664 7.072 233 1HD2 ASN 29 HD22 ASN 29 -1.572 9.541 10.098 234 2HD2 ASN 29 HD21 ASN 29 -1.839 9.661 8.388 235 H GLU 30 HN GLU 30 0.251 5.696 9.460 236 HA GLU 30 HA GLU 30 -1.755 3.803 8.944 237 1HB GLU 30 HB2 GLU 30 -0.441 1.694 9.376 238 2HB GLU 30 HB1 GLU 30 -0.082 2.443 7.847 239 1HG GLU 30 HG2 GLU 30 2.038 3.409 8.758 240 2HG GLU 30 HG1 GLU 30 1.704 2.714 10.332 241 H GLU 31 HN GLU 31 -2.837 4.090 10.754 242 HA GLU 31 HA GLU 31 -1.600 3.731 13.323 243 1HB GLU 31 HB2 GLU 31 -1.880 6.086 14.168 244 2HB GLU 31 HB1 GLU 31 -0.671 5.964 12.919 245 1HG GLU 31 HG2 GLU 31 -2.352 6.592 11.199 246 2HG GLU 31 HG1 GLU 31 -3.562 6.742 12.451 247 H CYS 32 HN CYS 32 -3.748 2.723 11.926 248 HA CYS 32 HA CYS 32 -5.786 3.001 14.017 249 1HB CYS 32 HB2 CYS 32 -6.426 4.001 11.190 250 2HB CYS 32 HB1 CYS 32 -7.667 3.592 12.350 251 HG CYS 32 HG CYS 32 -7.481 6.380 12.331 252 H ASP 33 HN ASP 33 -6.337 2.116 10.659 253 HA ASP 33 HA ASP 33 -7.463 -0.448 11.502 254 1HB ASP 33 HB2 ASP 33 -7.047 0.637 8.664 255 2HB ASP 33 HB1 ASP 33 -7.996 -0.783 9.146 256 H GLN 34 HN GLN 34 -6.692 -2.308 11.395 257 HA GLN 34 HA GLN 34 -3.968 -2.811 10.278 258 1HB GLN 34 HB2 GLN 34 -5.690 -4.459 12.221 259 2HB GLN 34 HB1 GLN 34 -4.124 -4.944 11.621 260 1HG GLN 34 HG2 GLN 34 -3.118 -2.855 12.679 261 2HG GLN 34 HG1 GLN 34 -4.675 -2.528 13.429 262 1HE2 GLN 34 HE21 GLN 34 -5.476 -3.903 15.068 263 2HE2 GLN 34 HE22 GLN 34 -4.447 -5.018 15.897 264 H ASN 35 HN ASN 35 -5.514 -2.348 8.476 265 HA ASN 35 HA ASN 35 -6.161 -4.580 6.908 266 1HB ASN 35 HB2 ASN 35 -8.467 -3.125 8.322 267 2HB ASN 35 HB1 ASN 35 -8.700 -3.766 6.695 268 1HD2 ASN 35 HD22 ASN 35 -9.747 -6.153 9.404 269 2HD2 ASN 35 HD21 ASN 35 -9.942 -4.419 9.225 270 H TRP 36 HN TRP 36 -6.221 -1.018 7.545 271 HA TRP 36 HA TRP 36 -5.961 -0.690 4.606 272 1HB TRP 36 HB2 TRP 36 -7.612 1.042 6.482 273 2HB TRP 36 HB1 TRP 36 -7.358 1.373 4.768 274 HD1 TRP 36 HD1 TRP 36 -9.215 -1.255 7.077 275 HE1 TRP 36 HE1 TRP 36 -10.804 -2.578 5.650 276 HE3 TRP 36 HE3 TRP 36 -8.083 0.713 2.488 277 HZ2 TRP 36 HZ2 TRP 36 -11.450 -2.831 2.935 278 HZ3 TRP 36 HZ3 TRP 36 -9.211 -0.133 0.477 279 HH2 TRP 36 HH2 TRP 36 -10.931 -1.886 0.682 280 H TYR 37 HN TYR 37 -4.412 0.286 4.063 281 HA TYR 37 HA TYR 37 -2.635 1.965 5.848 282 1HB TYR 37 HB2 TYR 37 -2.087 0.658 3.100 283 2HB TYR 37 HB1 TYR 37 -0.939 1.707 3.927 284 HD1 TYR 37 HD2 TYR 37 -1.016 0.807 6.696 285 HD2 TYR 37 HD1 TYR 37 -1.183 -1.461 3.074 286 HE1 TYR 37 HE2 TYR 37 -0.013 -1.017 7.839 287 HE2 TYR 37 HE1 TYR 37 -0.240 -3.329 4.116 288 HH TYR 37 HH TYR 37 1.484 -3.610 6.650 289 H LYS 38 HN LYS 38 -2.057 4.058 5.250 290 HA LYS 38 HA LYS 38 -3.612 5.218 2.983 291 1HB LYS 38 HB2 LYS 38 -3.943 6.127 5.299 292 2HB LYS 38 HB1 LYS 38 -2.273 6.631 5.346 293 1HG LYS 38 HG2 LYS 38 -2.663 8.176 3.455 294 2HG LYS 38 HG1 LYS 38 -4.285 7.552 3.248 295 1HD LYS 38 HD2 LYS 38 -4.880 8.292 5.555 296 2HD LYS 38 HD1 LYS 38 -3.280 8.973 5.757 297 1HE LYS 38 HE1 LYS 38 -3.666 10.561 3.927 298 2HE LYS 38 HE2 LYS 38 -5.219 9.809 3.554 299 1HZ LYS 38 HZ1 LYS 38 -6.001 10.489 5.715 300 2HZ LYS 38 HZ3 LYS 38 -4.511 11.251 6.017 301 3HZ LYS 38 HZ2 LYS 38 -5.506 11.799 4.752 302 H ALA 39 HN ALA 39 -2.278 4.711 1.252 303 HA ALA 39 HA ALA 39 0.566 5.569 1.472 304 1HB ALA 39 HB2 ALA 39 0.153 3.060 1.127 305 2HB ALA 39 HB3 ALA 39 -0.621 3.434 -0.404 306 3HB ALA 39 HB1 ALA 39 1.096 3.767 -0.176 307 H GLU 40 HN GLU 40 1.430 5.660 -1.035 308 HA GLU 40 HA GLU 40 -0.383 7.676 -2.327 309 1HB GLU 40 HB2 GLU 40 1.512 8.643 -1.003 310 2HB GLU 40 HB1 GLU 40 2.630 7.699 -1.947 311 1HG GLU 40 HG2 GLU 40 1.951 8.972 -4.026 312 2HG GLU 40 HG1 GLU 40 0.845 9.924 -3.050 313 H LEU 41 HN LEU 41 -0.727 7.571 -4.276 314 HA LEU 41 HA LEU 41 1.065 6.519 -6.347 315 1HB LEU 41 HB2 LEU 41 -1.516 5.282 -5.458 316 2HB LEU 41 HB1 LEU 41 -1.385 5.430 -7.215 317 HG LEU 41 HG LEU 41 0.347 3.979 -5.245 318 1HD1 LEU 41 HD13 LEU 41 -2.028 3.397 -7.063 319 2HD1 LEU 41 HD11 LEU 41 -0.893 2.114 -6.804 320 3HD1 LEU 41 HD12 LEU 41 -1.747 2.853 -5.413 321 1HD2 LEU 41 HD23 LEU 41 0.389 4.309 -8.293 322 2HD2 LEU 41 HD21 LEU 41 1.741 4.510 -7.156 323 3HD2 LEU 41 HD22 LEU 41 1.099 2.884 -7.506 324 H ASN 42 HN ASN 42 0.851 7.312 -8.157 325 HA ASN 42 HA ASN 42 0.187 8.549 -9.907 326 1HB ASN 42 HB2 ASN 42 -1.632 6.593 -9.134 327 2HB ASN 42 HB1 ASN 42 -2.729 7.859 -9.234 328 1HD2 ASN 42 HD22 ASN 42 -1.442 5.739 -12.346 329 2HD2 ASN 42 HD21 ASN 42 -1.274 5.436 -10.651 330 H GLY 43 HN GLY 43 0.667 10.101 -7.679 331 1HA GLY 43 HA2 GLY 43 0.570 12.311 -7.142 332 2HA GLY 43 HA1 GLY 43 -0.620 12.565 -8.449 333 H LYS 44 HN LYS 44 -1.561 10.072 -6.143 334 HA LYS 44 HA LYS 44 -3.205 11.951 -4.639 335 1HB LYS 44 HB2 LYS 44 -3.997 9.344 -6.091 336 2HB LYS 44 HB1 LYS 44 -5.038 10.184 -4.957 337 1HG LYS 44 HG2 LYS 44 -4.901 12.236 -6.455 338 2HG LYS 44 HG1 LYS 44 -4.024 11.281 -7.622 339 1HD LYS 44 HD2 LYS 44 -5.963 9.710 -7.802 340 2HD LYS 44 HD1 LYS 44 -6.840 10.664 -6.627 341 1HE LYS 44 HE1 LYS 44 -6.697 12.668 -8.170 342 2HE LYS 44 HE2 LYS 44 -5.891 11.666 -9.365 343 1HZ LYS 44 HZ1 LYS 44 -8.546 10.435 -8.878 344 2HZ LYS 44 HZ2 LYS 44 -8.148 11.486 -8.078 345 3HZ LYS 44 HZ3 LYS 44 -7.274 10.467 -9.383 346 H ASP 45 HN ASP 45 -4.150 10.714 -2.838 347 HA ASP 45 HA ASP 45 -2.480 8.514 -1.843 348 1HB ASP 45 HB2 ASP 45 -1.487 9.559 -0.057 349 2HB ASP 45 HB1 ASP 45 -1.607 10.952 -1.088 350 H GLY 46 HN GLY 46 -3.547 7.115 -0.504 351 1HA GLY 46 HA2 GLY 46 -6.174 7.703 0.579 352 2HA GLY 46 HA1 GLY 46 -6.268 6.821 -0.966 353 H PHE 47 HN PHE 47 -7.418 5.676 0.964 354 HA PHE 47 HA PHE 47 -5.739 3.807 2.334 355 1HB PHE 47 HB2 PHE 47 -8.751 4.016 1.968 356 2HB PHE 47 HB1 PHE 47 -7.985 2.817 3.008 357 HD1 PHE 47 HD2 PHE 47 -6.478 3.589 4.893 358 HD2 PHE 47 HD1 PHE 47 -8.971 6.271 2.697 359 HE1 PHE 47 HE2 PHE 47 -6.220 5.280 6.662 360 HE2 PHE 47 HE1 PHE 47 -8.690 7.970 4.425 361 HZ PHE 47 HZ PHE 47 -7.323 7.484 6.442 362 H ILE 48 HN ILE 48 -5.333 1.744 2.009 363 HA ILE 48 HA ILE 48 -6.390 0.343 -0.356 364 HB ILE 48 HB ILE 48 -4.124 -0.415 -0.979 365 1HG1 ILE 48 HG11 ILE 48 -3.030 1.649 0.991 366 2HG1 ILE 48 HG12 ILE 48 -3.008 -0.085 1.243 367 1HG2 ILE 48 HG21 ILE 48 -5.184 1.596 -2.088 368 2HG2 ILE 48 HG22 ILE 48 -4.271 2.639 -1.011 369 3HG2 ILE 48 HG23 ILE 48 -3.432 1.609 -2.164 370 1HD1 ILE 48 HD13 ILE 48 -1.618 -0.361 -0.820 371 2HD1 ILE 48 HD12 ILE 48 -1.532 1.389 -0.981 372 3HD1 ILE 48 HD11 ILE 48 -0.826 0.603 0.426 373 HA PRO 49 HA PRO 49 -6.647 -2.760 2.800 374 1HB PRO 49 HB2 PRO 49 -6.844 -5.079 1.118 375 2HB PRO 49 HB1 PRO 49 -8.133 -4.064 1.789 376 1HG PRO 49 HG2 PRO 49 -7.279 -4.174 -0.987 377 2HG PRO 49 HG1 PRO 49 -8.649 -3.341 -0.234 378 1HD PRO 49 HD2 PRO 49 -6.113 -2.165 -1.130 379 2HD PRO 49 HD1 PRO 49 -7.575 -1.357 -0.546 380 H LYS 50 HN LYS 50 -5.196 -3.983 4.087 381 HA LYS 50 HA LYS 50 -2.521 -4.232 3.036 382 1HB LYS 50 HB2 LYS 50 -3.450 -5.931 5.370 383 2HB LYS 50 HB1 LYS 50 -1.865 -5.257 5.071 384 1HG LYS 50 HG2 LYS 50 -2.938 -2.933 5.472 385 2HG LYS 50 HG1 LYS 50 -4.366 -3.808 5.904 386 1HD LYS 50 HD2 LYS 50 -1.745 -3.765 7.397 387 2HD LYS 50 HD1 LYS 50 -3.301 -3.299 7.969 388 1HE LYS 50 HE1 LYS 50 -3.991 -5.768 7.857 389 2HE LYS 50 HE2 LYS 50 -2.333 -6.135 7.384 390 1HZ LYS 50 HZ3 LYS 50 -1.572 -5.168 9.418 391 2HZ LYS 50 HZ2 LYS 50 -3.172 -4.865 9.902 392 3HZ LYS 50 HZ1 LYS 50 -2.648 -6.462 9.672 393 H ASN 51 HN ASN 51 -5.266 -6.456 2.841 394 HA ASN 51 HA ASN 51 -3.515 -8.740 2.307 395 1HB ASN 51 HB2 ASN 51 -5.672 -9.989 1.729 396 2HB ASN 51 HB1 ASN 51 -5.346 -9.517 3.371 397 1HD2 ASN 51 HD22 ASN 51 -8.523 -8.001 1.384 398 2HD2 ASN 51 HD21 ASN 51 -7.307 -8.960 0.575 399 H TYR 52 HN TYR 52 -4.899 -6.243 0.273 400 HA TYR 52 HA TYR 52 -4.315 -7.810 -2.092 401 1HB TYR 52 HB2 TYR 52 -5.283 -5.018 -1.465 402 2HB TYR 52 HB1 TYR 52 -4.606 -5.312 -3.065 403 HD1 TYR 52 HD2 TYR 52 -7.102 -6.821 -0.688 404 HD2 TYR 52 HD1 TYR 52 -5.978 -6.078 -4.748 405 HE1 TYR 52 HE2 TYR 52 -9.142 -7.841 -1.407 406 HE2 TYR 52 HE1 TYR 52 -7.895 -7.068 -5.546 407 HH TYR 52 HH TYR 52 -10.613 -7.700 -4.353 408 H ILE 53 HN ILE 53 -2.211 -6.255 0.015 409 HA ILE 53 HA ILE 53 -0.116 -6.125 -2.094 410 HB ILE 53 HB ILE 53 0.044 -3.941 -1.858 411 1HG1 ILE 53 HG11 ILE 53 0.980 -4.497 0.994 412 2HG1 ILE 53 HG12 ILE 53 1.943 -4.265 -0.473 413 1HG2 ILE 53 HG21 ILE 53 -2.280 -3.814 -1.082 414 2HG2 ILE 53 HG23 ILE 53 -1.722 -3.938 0.609 415 3HG2 ILE 53 HG22 ILE 53 -1.319 -2.550 -0.393 416 1HD1 ILE 53 HD13 ILE 53 1.164 -2.026 -0.684 417 2HD1 ILE 53 HD12 ILE 53 0.359 -2.110 0.900 418 3HD1 ILE 53 HD11 ILE 53 2.100 -2.341 0.811 419 H GLU 54 HN GLU 54 2.002 -6.347 -1.452 420 HA GLU 54 HA GLU 54 2.529 -8.039 0.915 421 1HB GLU 54 HB2 GLU 54 3.119 -9.051 -1.297 422 2HB GLU 54 HB1 GLU 54 4.147 -7.699 -1.683 423 1HG GLU 54 HG2 GLU 54 5.629 -8.237 0.270 424 2HG GLU 54 HG1 GLU 54 4.547 -9.528 0.749 425 H MET 55 HN MET 55 3.339 -6.940 2.476 426 HA MET 55 HA MET 55 4.391 -4.258 2.081 427 1HB MET 55 HB2 MET 55 3.986 -5.835 4.649 428 2HB MET 55 HB1 MET 55 4.106 -4.109 4.514 429 1HG MET 55 HG1 MET 55 1.937 -3.924 3.408 430 2HG MET 55 HG2 MET 55 1.839 -5.615 3.062 431 1HE MET 55 HE1 MET 55 2.159 -7.470 4.617 432 2HE MET 55 HE3 MET 55 2.752 -6.999 6.232 433 3HE MET 55 HE2 MET 55 1.095 -7.583 6.012 434 H LYS 56 HN LYS 56 6.286 -3.525 2.571 435 HA LYS 56 HA LYS 56 8.509 -5.169 3.586 436 1HB LYS 56 HB2 LYS 56 8.532 -3.748 0.855 437 2HB LYS 56 HB1 LYS 56 9.915 -4.519 1.574 438 1HG LYS 56 HG2 LYS 56 7.365 -6.001 0.750 439 2HG LYS 56 HG1 LYS 56 8.701 -5.769 -0.296 440 1HD LYS 56 HD2 LYS 56 9.113 -7.104 2.404 441 2HD LYS 56 HD1 LYS 56 8.522 -8.009 1.041 442 1HE LYS 56 HE1 LYS 56 11.147 -6.437 0.933 443 2HE LYS 56 HE2 LYS 56 11.031 -8.139 1.355 444 1HZ LYS 56 HZ3 LYS 56 10.029 -8.567 -0.769 445 2HZ LYS 56 HZ2 LYS 56 10.181 -6.928 -1.181 446 3HZ LYS 56 HZ1 LYS 56 11.569 -7.868 -0.916 447 HA PRO 57 HA PRO 57 8.117 -0.742 4.927 448 1HB PRO 57 HB2 PRO 57 8.752 -1.042 7.595 449 2HB PRO 57 HB1 PRO 57 7.199 -1.375 6.910 450 1HG PRO 57 HG2 PRO 57 9.344 -3.397 7.473 451 2HG PRO 57 HG1 PRO 57 7.618 -3.510 7.859 452 1HD PRO 57 HD2 PRO 57 8.691 -4.722 5.651 453 2HD PRO 57 HD1 PRO 57 7.034 -4.069 5.620 No H/Q in entry = 550 B chain: Entry H atom name Submitted Coord H atom name 1 1H ACE 0 HT2A VAL 1 -5.098 -14.768 -9.634 2 2H ACE 0 HT2 VAL 1 -5.906 -16.334 -9.880 3 3H ACE 0 HT2G VAL 1 -5.776 -15.179 -11.224 4 H VAL 1 HN VAL 1 -7.155 -15.750 -8.052 5 HA VAL 1 HA VAL 1 -9.315 -13.739 -8.546 6 HB VAL 1 H VAL 1 -9.444 -16.326 -6.946 7 1HG1 VAL 1 HG13 VAL 1 -11.613 -14.231 -7.466 8 2HG1 VAL 1 HG12 VAL 1 -11.880 -15.805 -6.712 9 3HG1 VAL 1 HG11 VAL 1 -10.891 -14.600 -5.903 10 1HG2 VAL 1 HG23 VAL 1 -10.755 -15.569 -9.599 11 2HG2 VAL 1 HG21 VAL 1 -9.486 -16.761 -9.389 12 3HG2 VAL 1 HG22 VAL 1 -11.072 -17.043 -8.698 13 HA PRO 2 HA PRO 2 -6.741 -12.009 -5.219 14 1HB PRO 2 HB2 PRO 2 -8.686 -9.803 -5.705 15 2HB PRO 2 HB1 PRO 2 -6.942 -9.672 -5.435 16 1HG PRO 2 HG2 PRO 2 -7.960 -9.441 -7.922 17 2HG PRO 2 HG1 PRO 2 -6.501 -10.399 -7.676 18 1HD PRO 2 HD2 PRO 2 -9.290 -11.430 -8.090 19 2HD PRO 2 HD1 PRO 2 -7.728 -12.069 -8.658 20 HA PRO 3 HA PRO 3 -8.834 -12.868 -1.384 21 1HB PRO 3 HB2 PRO 3 -7.778 -10.110 -0.722 22 2HB PRO 3 HB1 PRO 3 -7.678 -11.559 0.298 23 1HG PRO 3 HG2 PRO 3 -5.528 -10.786 -1.113 24 2HG PRO 3 HG1 PRO 3 -5.953 -12.498 -1.069 25 1HD PRO 3 HD2 PRO 3 -6.307 -10.628 -3.379 26 2HD PRO 3 HD1 PRO 3 -6.103 -12.380 -3.319 27 HA PRO 4 HA PRO 4 -12.508 -10.204 -0.758 28 1HB PRO 4 HB2 PRO 4 -13.342 -11.208 1.689 29 2HB PRO 4 HB1 PRO 4 -13.380 -12.243 0.265 30 1HG PRO 4 HG2 PRO 4 -11.261 -12.193 2.405 31 2HG PRO 4 HG1 PRO 4 -12.013 -13.612 1.666 32 1HD PRO 4 HD2 PRO 4 -9.544 -12.640 0.828 33 2HD PRO 4 HD1 PRO 4 -10.669 -13.481 -0.254 34 H VAL 5 HN VAL 5 -12.479 -8.303 -0.322 35 HA VAL 5 HA VAL 5 -10.347 -7.079 1.066 36 HB VAL 5 H VAL 5 -12.775 -5.733 0.361 37 1HG1 VAL 5 HG13 VAL 5 -9.766 -5.038 0.320 38 2HG1 VAL 5 HG12 VAL 5 -10.968 -3.929 -0.343 39 3HG1 VAL 5 HG11 VAL 5 -11.001 -4.307 1.368 40 1HG2 VAL 5 HG23 VAL 5 -12.207 -7.102 -1.650 41 2HG2 VAL 5 HG21 VAL 5 -12.085 -5.377 -1.919 42 3HG2 VAL 5 HG22 VAL 5 -10.610 -6.274 -1.589 43 HA PRO 6 HA PRO 6 -12.020 -7.013 5.235 44 1HB PRO 6 HB2 PRO 6 -10.547 -4.432 5.628 45 2HB PRO 6 HB1 PRO 6 -10.393 -5.904 6.513 46 1HG PRO 6 HG2 PRO 6 -8.470 -5.116 4.740 47 2HG PRO 6 HG1 PRO 6 -8.850 -6.810 5.040 48 1HD PRO 6 HD2 PRO 6 -9.616 -5.229 2.603 49 2HD PRO 6 HD1 PRO 6 -9.238 -6.872 2.766 50 HA PRO 7 HA PRO 7 -15.247 -3.864 5.244 51 1HB PRO 7 HB2 PRO 7 -16.039 -3.954 7.903 52 2HB PRO 7 HB1 PRO 7 -16.342 -5.286 6.793 53 1HG PRO 7 HG2 PRO 7 -14.104 -5.082 8.800 54 2HG PRO 7 HG1 PRO 7 -15.129 -6.484 8.467 55 1HD PRO 7 HD2 PRO 7 -12.605 -6.248 7.356 56 2HD PRO 7 HD1 PRO 7 -13.935 -7.051 6.513 57 H ARG 8 HN ARG 8 -14.591 -1.835 4.956 58 HA ARG 8 HA ARG 8 -12.584 -0.695 6.770 59 1HB ARG 8 HB2 ARG 8 -11.839 0.602 5.058 60 2HB ARG 8 HB1 ARG 8 -12.472 -0.800 4.282 61 1HG ARG 8 HG2 ARG 8 -13.316 0.633 2.857 62 2HG ARG 8 HG1 ARG 8 -14.657 0.794 3.983 63 1HD ARG 8 HD2 ARG 8 -13.326 2.847 4.978 64 2HD ARG 8 HD1 ARG 8 -12.194 2.602 3.672 65 HE ARG 8 HE ARG 8 -13.641 3.528 2.202 66 1HH1 ARG 8 HH21 ARG 8 -15.363 2.775 5.183 67 2HH1 ARG 8 HH22 ARG 8 -16.757 3.731 4.780 68 1HH2 ARG 8 HH11 ARG 8 -15.467 4.791 1.709 69 2HH2 ARG 8 HH12 ARG 8 -16.814 4.880 2.795 70 H ARG 9 HN ARG 9 -14.141 -0.825 8.393 71 HA ARG 9 HA ARG 9 -15.013 1.838 9.127 72 1HB ARG 9 HB2 ARG 9 -17.118 -0.373 8.774 73 2HB ARG 9 HB1 ARG 9 -17.335 0.962 9.865 74 1HG ARG 9 HG2 ARG 9 -16.947 2.534 7.841 75 2HG ARG 9 HG1 ARG 9 -17.107 1.114 6.835 76 1HD ARG 9 HD2 ARG 9 -19.313 2.181 6.981 77 2HD ARG 9 HD1 ARG 9 -19.379 0.690 7.946 78 HE ARG 9 HE ARG 9 -18.561 2.996 9.476 79 1HH1 ARG 9 HH21 ARG 9 -21.338 1.258 8.195 80 2HH1 ARG 9 HH22 ARG 9 -22.410 1.784 9.455 81 1HH2 ARG 9 HH11 ARG 9 -19.957 3.669 11.100 82 2HH2 ARG 9 HH12 ARG 9 -21.617 3.177 11.113 83 H ARG 10 HN ARG 10 -13.916 1.931 10.884 84 HA ARG 10 HA ARG 10 -13.540 -0.392 12.626 85 1HB ARG 10 HB2 ARG 10 -12.638 2.519 12.916 86 2HB ARG 10 HB1 ARG 10 -12.142 1.228 13.973 87 1HG ARG 10 HG2 ARG 10 -11.522 1.473 10.993 88 2HG ARG 10 HG1 ARG 10 -10.416 1.705 12.309 89 1HD ARG 10 HD2 ARG 10 -11.684 -0.946 11.441 90 2HD ARG 10 HD1 ARG 10 -9.972 -0.555 11.392 91 HE ARG 10 HE ARG 10 -11.505 -1.524 13.623 92 1HH1 ARG 10 HH21 ARG 10 -8.789 0.517 12.745 93 2HH1 ARG 10 HH22 ARG 10 -7.983 0.362 14.273 94 1HH2 ARG 10 HH11 ARG 10 -10.430 -1.726 15.638 95 2HH2 ARG 10 HH12 ARG 10 -8.918 -0.927 15.910 96 1HN NH2 11 HCT1 ARG 10 -14.843 2.388 12.853 97 2HN NH2 11 HCT2 ARG 10 -15.940 2.936 13.064 No H/Q in entry = 550
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