NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
5452 | 1hfg | 4914 | cing | recoord | 1-original | 20 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 H1 LEU 1 H1 LEU 1 1.603 -22.721 -15.180 2 H2 LEU 1 H2 LEU 1 2.694 -23.040 -13.916 3 H3 LEU 1 H3 LEU 1 1.645 -21.707 -13.821 4 HA LEU 1 HA LEU 1 3.443 -20.571 -14.516 5 1HB LEU 1 1HB LEU 1 4.400 -23.233 -14.909 6 2HB LEU 1 2HB LEU 1 4.769 -22.306 -16.364 7 HG LEU 1 HG LEU 1 6.567 -22.154 -14.630 8 1HD1 LEU 1 1HD1 LEU 1 5.063 -19.579 -15.202 9 2HD1 LEU 1 2HD1 LEU 1 6.756 -19.687 -14.706 10 3HD1 LEU 1 3HD1 LEU 1 6.248 -20.341 -16.267 11 1HD2 LEU 1 1HD2 LEU 1 4.223 -21.452 -13.002 12 2HD2 LEU 1 2HD2 LEU 1 5.807 -22.041 -12.494 13 3HD2 LEU 1 3HD2 LEU 1 5.565 -20.323 -12.814 14 H GLY 2 H GLY 2 4.589 -20.592 -17.099 15 1HA GLY 2 1HA GLY 2 2.504 -20.781 -19.091 16 2HA GLY 2 2HA GLY 2 4.137 -20.170 -19.340 17 H ALA 3 H ALA 3 4.605 -17.981 -18.732 18 HA ALA 3 HA ALA 3 4.157 -15.723 -18.718 19 1HB ALA 3 1HB ALA 3 2.285 -16.840 -20.479 20 2HB ALA 3 2HB ALA 3 2.709 -15.135 -20.330 21 3HB ALA 3 3HB ALA 3 1.346 -15.788 -19.420 22 H SER 4 H SER 4 3.867 -17.169 -16.331 23 HA SER 4 HA SER 4 1.498 -16.786 -14.909 24 1HB SER 4 1HB SER 4 3.919 -17.850 -14.294 25 2HB SER 4 2HB SER 4 3.989 -16.345 -13.382 26 HG SER 4 HG SER 4 1.851 -16.949 -12.587 27 H TRP 5 H TRP 5 3.944 -14.507 -15.851 28 HA TRP 5 HA TRP 5 3.559 -12.485 -13.962 29 1HB TRP 5 1HB TRP 5 4.725 -11.084 -15.396 30 2HB TRP 5 2HB TRP 5 5.234 -12.663 -15.984 31 HD1 TRP 5 HD1 TRP 5 4.093 -13.554 -18.260 32 HE1 TRP 5 HE1 TRP 5 3.038 -12.268 -20.231 33 HE3 TRP 5 HE3 TRP 5 3.394 -8.997 -16.065 34 HZ2 TRP 5 HZ2 TRP 5 2.031 -9.649 -20.799 35 HZ3 TRP 5 HZ3 TRP 5 2.387 -7.127 -17.341 36 HH2 TRP 5 HH2 TRP 5 1.705 -7.447 -19.703 37 H HIS 6 H HIS 6 1.557 -13.539 -16.591 38 HA HIS 6 HA HIS 6 -0.044 -11.259 -16.973 39 1HB HIS 6 1HB HIS 6 -0.434 -14.194 -17.404 40 2HB HIS 6 2HB HIS 6 -1.833 -13.126 -17.512 41 HD1 HIS 6 HD1 HIS 6 -2.019 -11.624 -19.556 42 HD2 HIS 6 HD2 HIS 6 1.650 -13.594 -19.345 43 HE1 HIS 6 HE1 HIS 6 -0.850 -11.201 -21.763 44 H ARG 7 H ARG 7 0.256 -13.335 -14.295 45 HA ARG 7 HA ARG 7 -2.387 -12.579 -13.231 46 1HB ARG 7 1HB ARG 7 -1.855 -14.965 -13.113 47 2HB ARG 7 2HB ARG 7 -0.371 -14.603 -12.228 48 1HG ARG 7 1HG ARG 7 -2.402 -13.254 -10.832 49 2HG ARG 7 2HG ARG 7 -3.082 -14.833 -11.224 50 1HD ARG 7 1HD ARG 7 -0.278 -14.829 -10.258 51 2HD ARG 7 2HD ARG 7 -1.502 -14.395 -9.070 52 HE ARG 7 HE ARG 7 -1.092 -17.008 -10.251 53 1HH1 ARG 7 1HH1 ARG 7 -3.290 -14.825 -8.708 54 2HH1 ARG 7 2HH1 ARG 7 -4.319 -16.075 -8.093 55 1HH2 ARG 7 1HH2 ARG 7 -2.438 -18.654 -9.447 56 2HH2 ARG 7 2HH2 ARG 7 -3.836 -18.243 -8.511 57 HA PRO 8 HA PRO 8 0.131 -9.617 -10.924 58 1HB PRO 8 1HB PRO 8 -1.925 -7.865 -10.509 59 2HB PRO 8 2HB PRO 8 -0.972 -7.927 -12.000 60 1HG PRO 8 1HG PRO 8 -3.742 -8.844 -11.502 61 2HG PRO 8 2HG PRO 8 -2.981 -8.324 -13.012 62 1HD PRO 8 1HD PRO 8 -3.475 -11.004 -12.205 63 2HD PRO 8 2HD PRO 8 -2.493 -10.478 -13.592 64 H ASP 9 H ASP 9 0.261 -11.231 -9.191 65 HA ASP 9 HA ASP 9 -1.825 -11.637 -7.305 66 1HB ASP 9 1HB ASP 9 0.829 -12.585 -7.701 67 2HB ASP 9 2HB ASP 9 0.724 -11.963 -6.054 68 H LYS 10 H LYS 10 -2.172 -9.112 -7.438 69 HA LYS 10 HA LYS 10 -0.490 -7.557 -5.678 70 1HB LYS 10 1HB LYS 10 -3.249 -6.717 -6.510 71 2HB LYS 10 2HB LYS 10 -1.813 -5.726 -6.252 72 1HG LYS 10 1HG LYS 10 -0.871 -7.229 -8.248 73 2HG LYS 10 2HG LYS 10 -2.588 -7.358 -8.631 74 1HD LYS 10 1HD LYS 10 -2.815 -5.065 -9.007 75 2HD LYS 10 2HD LYS 10 -1.406 -4.664 -8.024 76 1HE LYS 10 1HE LYS 10 -0.036 -5.941 -9.802 77 2HE LYS 10 2HE LYS 10 -1.476 -5.815 -10.813 78 1HZ LYS 10 1HZ LYS 10 -0.064 -3.529 -9.547 79 2HZ LYS 10 2HZ LYS 10 0.062 -3.977 -11.182 80 3HZ LYS 10 3HZ LYS 10 -1.420 -3.425 -10.561 81 H CYS 11 H CYS 11 -2.936 -9.815 -5.217 82 HA CYS 11 HA CYS 11 -4.212 -8.636 -2.923 83 1HB CYS 11 1HB CYS 11 -4.163 -11.593 -3.428 84 2HB CYS 11 2HB CYS 11 -5.465 -10.594 -2.783 85 H CYS 12 H CYS 12 -1.746 -8.189 -2.294 86 HA CYS 12 HA CYS 12 0.017 -9.920 -1.219 87 1HB CYS 12 1HB CYS 12 -0.930 -7.240 -0.336 88 2HB CYS 12 2HB CYS 12 0.066 -8.158 0.792 89 H LEU 13 H LEU 13 -0.122 -11.619 0.084 90 HA LEU 13 HA LEU 13 -2.435 -12.282 1.581 91 1HB LEU 13 1HB LEU 13 0.387 -13.289 1.944 92 2HB LEU 13 2HB LEU 13 -1.058 -14.037 2.588 93 HG LEU 13 HG LEU 13 -0.856 -13.650 -0.370 94 1HD1 LEU 13 1HD1 LEU 13 1.292 -14.731 0.828 95 2HD1 LEU 13 2HD1 LEU 13 0.255 -16.157 0.800 96 3HD1 LEU 13 3HD1 LEU 13 0.670 -15.340 -0.706 97 1HD2 LEU 13 1HD2 LEU 13 -2.402 -15.186 1.588 98 2HD2 LEU 13 2HD2 LEU 13 -2.800 -14.778 -0.081 99 3HD2 LEU 13 3HD2 LEU 13 -1.797 -16.186 0.267 100 H GLY 14 H GLY 14 0.594 -10.698 2.364 101 1HA GLY 14 1HA GLY 14 1.276 -10.285 4.704 102 2HA GLY 14 2HA GLY 14 -0.438 -10.106 5.080 103 H TYR 15 H TYR 15 0.208 -7.977 5.930 104 HA TYR 15 HA TYR 15 0.484 -5.993 3.750 105 1HB TYR 15 1HB TYR 15 -1.002 -5.698 6.369 106 2HB TYR 15 2HB TYR 15 -0.829 -4.447 5.139 107 HD1 TYR 15 HD1 TYR 15 -1.891 -4.703 2.918 108 HD2 TYR 15 HD2 TYR 15 -2.508 -7.568 6.057 109 HE1 TYR 15 HE1 TYR 15 -3.834 -5.626 1.690 110 HE2 TYR 15 HE2 TYR 15 -4.452 -8.496 4.826 111 HH TYR 15 HH TYR 15 -5.876 -6.901 2.172 112 H GLN 16 H GLN 16 1.358 -3.883 4.489 113 HA GLN 16 HA GLN 16 3.931 -3.917 5.261 114 1HB GLN 16 1HB GLN 16 2.515 -1.878 4.645 115 2HB GLN 16 2HB GLN 16 2.105 -1.784 6.358 116 1HG GLN 16 1HG GLN 16 4.072 -0.359 5.727 117 2HG GLN 16 2HG GLN 16 4.443 -1.560 6.965 118 2HE2 GLN 16 2HE2 GLN 16 6.432 -2.512 6.557 119 1HE2 GLN 16 1HE2 GLN 16 7.037 -2.890 5.016 120 H LYS 17 H LYS 17 1.252 -3.482 7.551 121 HA LYS 17 HA LYS 17 1.043 -4.366 9.707 122 1HB LYS 17 1HB LYS 17 3.032 -5.946 8.878 123 2HB LYS 17 2HB LYS 17 3.954 -4.926 9.983 124 1HG LYS 17 1HG LYS 17 2.195 -5.382 11.737 125 2HG LYS 17 2HG LYS 17 1.494 -6.568 10.635 126 1HD LYS 17 1HD LYS 17 4.138 -7.292 10.600 127 2HD LYS 17 2HD LYS 17 3.945 -6.739 12.265 128 1HE LYS 17 1HE LYS 17 2.381 -8.376 12.774 129 2HE LYS 17 2HE LYS 17 1.847 -8.532 11.101 130 1HZ LYS 17 1HZ LYS 17 4.159 -9.439 10.665 131 2HZ LYS 17 2HZ LYS 17 4.306 -9.597 12.351 132 3HZ LYS 17 3HZ LYS 17 3.091 -10.444 11.517 133 H ARG 18 H ARG 18 3.284 -2.074 8.557 134 HA ARG 18 HA ARG 18 3.246 -0.700 11.176 135 1HB ARG 18 1HB ARG 18 5.521 -0.283 9.275 136 2HB ARG 18 2HB ARG 18 5.481 -0.104 11.029 137 1HG ARG 18 1HG ARG 18 5.479 -2.481 11.358 138 2HG ARG 18 2HG ARG 18 5.202 -2.779 9.642 139 1HD ARG 18 1HD ARG 18 7.413 -2.755 9.254 140 2HD ARG 18 2HD ARG 18 7.528 -1.129 9.918 141 HE ARG 18 HE ARG 18 7.416 -3.213 11.929 142 1HH1 ARG 18 1HH1 ARG 18 9.385 -1.330 9.792 143 2HH1 ARG 18 2HH1 ARG 18 10.827 -1.517 10.732 144 1HH2 ARG 18 1HH2 ARG 18 9.307 -3.462 13.167 145 2HH2 ARG 18 2HH2 ARG 18 10.783 -2.724 12.643 146 HA PRO 19 HA PRO 19 1.622 2.630 8.799 147 1HB PRO 19 1HB PRO 19 1.929 4.597 10.670 148 2HB PRO 19 2HB PRO 19 0.693 3.333 10.763 149 1HG PRO 19 1HG PRO 19 3.172 3.649 12.341 150 2HG PRO 19 2HG PRO 19 1.678 2.792 12.747 151 1HD PRO 19 1HD PRO 19 4.120 1.631 11.838 152 2HD PRO 19 2HD PRO 19 2.561 0.803 12.063 153 H LEU 20 H LEU 20 2.696 3.463 7.104 154 HA LEU 20 HA LEU 20 5.368 4.610 7.457 155 1HB LEU 20 1HB LEU 20 4.126 4.750 4.806 156 2HB LEU 20 2HB LEU 20 5.717 4.190 5.273 157 HG LEU 20 HG LEU 20 3.161 2.584 5.519 158 1HD1 LEU 20 1HD1 LEU 20 4.933 3.099 3.298 159 2HD1 LEU 20 2HD1 LEU 20 5.021 1.397 3.752 160 3HD1 LEU 20 3HD1 LEU 20 3.467 2.120 3.337 161 1HD2 LEU 20 1HD2 LEU 20 5.844 2.292 6.611 162 2HD2 LEU 20 2HD2 LEU 20 4.396 1.343 6.945 163 3HD2 LEU 20 3HD2 LEU 20 5.423 0.931 5.572 164 HA PRO 21 HA PRO 21 3.906 8.758 7.296 165 1HB PRO 21 1HB PRO 21 6.199 9.973 6.439 166 2HB PRO 21 2HB PRO 21 5.982 9.324 8.072 167 1HG PRO 21 1HG PRO 21 7.591 8.260 5.829 168 2HG PRO 21 2HG PRO 21 7.789 8.021 7.571 169 1HD PRO 21 1HD PRO 21 6.634 6.187 5.722 170 2HD PRO 21 2HD PRO 21 6.642 6.048 7.496 171 H GLN 22 H GLN 22 2.762 9.966 5.881 172 HA GLN 22 HA GLN 22 2.802 9.358 3.070 173 1HB GLN 22 1HB GLN 22 0.753 10.042 4.403 174 2HB GLN 22 2HB GLN 22 1.402 11.682 4.396 175 1HG GLN 22 1HG GLN 22 1.363 10.349 1.757 176 2HG GLN 22 2HG GLN 22 -0.226 10.685 2.445 177 2HE2 GLN 22 2HE2 GLN 22 1.326 12.044 0.168 178 1HE2 GLN 22 1HE2 GLN 22 1.316 13.688 0.587 179 H VAL 23 H VAL 23 4.833 11.163 4.924 180 HA VAL 23 HA VAL 23 5.156 13.571 3.506 181 HB VAL 23 HB VAL 23 6.185 13.267 5.680 182 1HG1 VAL 23 1HG1 VAL 23 6.788 10.734 4.773 183 2HG1 VAL 23 2HG1 VAL 23 8.364 11.526 4.746 184 3HG1 VAL 23 3HG1 VAL 23 7.436 11.460 6.244 185 1HG2 VAL 23 1HG2 VAL 23 8.251 13.499 3.468 186 2HG2 VAL 23 2HG2 VAL 23 7.290 14.823 4.128 187 3HG2 VAL 23 3HG2 VAL 23 8.489 14.014 5.138 188 H LEU 24 H LEU 24 6.133 10.315 2.783 189 HA LEU 24 HA LEU 24 7.552 11.326 0.391 190 1HB LEU 24 1HB LEU 24 9.172 9.676 0.544 191 2HB LEU 24 2HB LEU 24 8.972 10.202 2.199 192 HG LEU 24 HG LEU 24 9.119 7.858 2.325 193 1HD1 LEU 24 1HD1 LEU 24 7.129 8.906 3.504 194 2HD1 LEU 24 2HD1 LEU 24 6.136 8.339 2.162 195 3HD1 LEU 24 3HD1 LEU 24 6.984 7.178 3.182 196 1HD2 LEU 24 1HD2 LEU 24 8.458 7.834 -0.297 197 2HD2 LEU 24 2HD2 LEU 24 8.414 6.388 0.712 198 3HD2 LEU 24 3HD2 LEU 24 6.930 7.287 0.395 199 H LEU 25 H LEU 25 4.811 9.859 1.398 200 HA LEU 25 HA LEU 25 4.654 7.740 -0.572 201 1HB LEU 25 1HB LEU 25 3.378 8.158 1.764 202 2HB LEU 25 2HB LEU 25 2.194 8.824 0.661 203 HG LEU 25 HG LEU 25 1.859 6.734 -0.401 204 1HD1 LEU 25 1HD1 LEU 25 4.588 6.245 0.554 205 2HD1 LEU 25 2HD1 LEU 25 3.521 4.858 0.781 206 3HD1 LEU 25 3HD1 LEU 25 3.740 5.547 -0.827 207 1HD2 LEU 25 1HD2 LEU 25 2.206 6.517 2.588 208 2HD2 LEU 25 2HD2 LEU 25 0.712 6.676 1.665 209 3HD2 LEU 25 3HD2 LEU 25 1.605 5.155 1.643 210 H SER 26 H SER 26 2.981 7.704 -2.238 211 HA SER 26 HA SER 26 2.532 10.397 -3.385 212 1HB SER 26 1HB SER 26 3.945 8.349 -4.532 213 2HB SER 26 2HB SER 26 2.339 8.098 -5.211 214 HG SER 26 HG SER 26 3.428 9.560 -6.498 215 H SER 27 H SER 27 1.210 7.153 -4.009 216 HA SER 27 HA SER 27 -1.462 8.051 -3.211 217 1HB SER 27 1HB SER 27 -1.651 6.656 -5.734 218 2HB SER 27 2HB SER 27 -2.327 8.214 -5.271 219 HG SER 27 HG SER 27 -0.825 8.453 -6.954 220 H TRP 28 H TRP 28 -2.813 5.881 -4.438 221 HA TRP 28 HA TRP 28 -1.525 3.416 -3.621 222 1HB TRP 28 1HB TRP 28 -3.350 2.848 -1.989 223 2HB TRP 28 2HB TRP 28 -2.270 4.129 -1.441 224 HD1 TRP 28 HD1 TRP 28 -3.194 6.639 -1.496 225 HE1 TRP 28 HE1 TRP 28 -5.598 7.572 -1.471 226 HE3 TRP 28 HE3 TRP 28 -5.789 2.417 -2.740 227 HZ2 TRP 28 HZ2 TRP 28 -8.268 6.646 -1.926 228 HZ3 TRP 28 HZ3 TRP 28 -8.258 2.473 -2.937 229 HH2 TRP 28 HH2 TRP 28 -9.500 4.580 -2.530 230 H TYR 29 H TYR 29 -2.421 1.665 -4.602 231 HA TYR 29 HA TYR 29 -4.903 2.143 -6.143 232 1HB TYR 29 1HB TYR 29 -4.071 0.881 -7.961 233 2HB TYR 29 2HB TYR 29 -2.739 1.935 -7.495 234 HD1 TYR 29 HD1 TYR 29 -4.066 -1.521 -7.288 235 HD2 TYR 29 HD2 TYR 29 -0.700 1.051 -6.577 236 HE1 TYR 29 HE1 TYR 29 -2.625 -3.507 -6.927 237 HE2 TYR 29 HE2 TYR 29 0.741 -0.934 -6.215 238 HH TYR 29 HH TYR 29 0.341 -3.696 -7.192 239 HA PRO 30 HA PRO 30 -6.395 -1.364 -3.918 240 1HB PRO 30 1HB PRO 30 -8.735 -1.652 -5.299 241 2HB PRO 30 2HB PRO 30 -8.447 -0.377 -4.104 242 1HG PRO 30 1HG PRO 30 -8.569 -0.191 -7.055 243 2HG PRO 30 2HG PRO 30 -8.886 1.049 -5.833 244 1HD PRO 30 1HD PRO 30 -6.518 0.765 -7.383 245 2HD PRO 30 2HD PRO 30 -6.754 1.851 -5.993 246 H THR 31 H THR 31 -6.538 -3.588 -4.088 247 HA THR 31 HA THR 31 -5.526 -4.759 -6.565 248 HB THR 31 HB THR 31 -4.445 -5.610 -4.633 249 HG1 THR 31 HG1 THR 31 -4.916 -7.312 -5.924 250 1HG2 THR 31 1HG2 THR 31 -7.114 -5.289 -3.474 251 2HG2 THR 31 2HG2 THR 31 -6.332 -6.797 -2.996 252 3HG2 THR 31 3HG2 THR 31 -5.535 -5.254 -2.688 253 H SER 32 H SER 32 -6.548 -7.145 -6.827 254 HA SER 32 HA SER 32 -9.187 -6.697 -7.830 255 1HB SER 32 1HB SER 32 -7.241 -8.914 -7.823 256 2HB SER 32 2HB SER 32 -8.931 -9.409 -7.855 257 HG SER 32 HG SER 32 -8.205 -9.060 -9.955 258 H GLN 33 H GLN 33 -10.993 -8.255 -7.296 259 HA GLN 33 HA GLN 33 -11.295 -8.348 -4.367 260 1HB GLN 33 1HB GLN 33 -12.989 -7.364 -6.288 261 2HB GLN 33 2HB GLN 33 -13.644 -8.979 -6.016 262 1HG GLN 33 1HG GLN 33 -14.251 -8.521 -3.852 263 2HG GLN 33 2HG GLN 33 -12.888 -7.432 -3.591 264 2HE2 GLN 33 2HE2 GLN 33 -14.477 -5.851 -2.683 265 1HE2 GLN 33 1HE2 GLN 33 -15.427 -4.923 -3.740 266 H LEU 34 H LEU 34 -10.635 -10.347 -6.998 267 HA LEU 34 HA LEU 34 -11.940 -12.717 -5.908 268 1HB LEU 34 1HB LEU 34 -9.984 -12.590 -8.191 269 2HB LEU 34 2HB LEU 34 -11.127 -13.866 -7.832 270 HG LEU 34 HG LEU 34 -12.201 -12.809 -9.574 271 1HD1 LEU 34 1HD1 LEU 34 -13.501 -12.669 -7.326 272 2HD1 LEU 34 2HD1 LEU 34 -13.154 -10.941 -7.408 273 3HD1 LEU 34 3HD1 LEU 34 -14.090 -11.715 -8.687 274 1HD2 LEU 34 1HD2 LEU 34 -10.333 -10.922 -9.380 275 2HD2 LEU 34 2HD2 LEU 34 -11.828 -10.626 -10.267 276 3HD2 LEU 34 3HD2 LEU 34 -11.647 -10.024 -8.619 277 H CYS 35 H CYS 35 -10.225 -11.675 -4.051 278 HA CYS 35 HA CYS 35 -8.006 -13.635 -4.071 279 1HB CYS 35 1HB CYS 35 -7.813 -11.030 -2.587 280 2HB CYS 35 2HB CYS 35 -6.519 -12.095 -3.138 281 H SER 36 H SER 36 -7.321 -14.354 -1.952 282 HA SER 36 HA SER 36 -9.505 -15.061 -0.280 283 1HB SER 36 1HB SER 36 -6.757 -15.770 -0.516 284 2HB SER 36 2HB SER 36 -7.048 -15.299 1.157 285 HG SER 36 HG SER 36 -7.556 -17.583 0.264 286 H LYS 37 H LYS 37 -7.297 -12.391 -0.323 287 HA LYS 37 HA LYS 37 -8.799 -10.938 1.620 288 1HB LYS 37 1HB LYS 37 -6.814 -10.685 3.220 289 2HB LYS 37 2HB LYS 37 -7.716 -12.198 3.311 290 1HG LYS 37 1HG LYS 37 -5.945 -12.967 1.486 291 2HG LYS 37 2HG LYS 37 -4.977 -11.687 2.218 292 1HD LYS 37 1HD LYS 37 -6.205 -13.189 4.321 293 2HD LYS 37 2HD LYS 37 -5.436 -14.322 3.210 294 1HE LYS 37 1HE LYS 37 -3.337 -13.024 3.342 295 2HE LYS 37 2HE LYS 37 -4.105 -11.905 4.468 296 1HZ LYS 37 1HZ LYS 37 -4.621 -14.259 5.622 297 2HZ LYS 37 2HZ LYS 37 -3.116 -14.589 4.912 298 3HZ LYS 37 3HZ LYS 37 -3.275 -13.292 5.999 299 HA PRO 38 HA PRO 38 -6.094 -8.512 -1.237 300 1HB PRO 38 1HB PRO 38 -8.130 -7.334 -2.629 301 2HB PRO 38 2HB PRO 38 -7.415 -8.894 -3.064 302 1HG PRO 38 1HG PRO 38 -10.040 -8.311 -1.830 303 2HG PRO 38 2HG PRO 38 -9.535 -9.701 -2.801 304 1HD PRO 38 1HD PRO 38 -9.798 -9.615 0.032 305 2HD PRO 38 2HD PRO 38 -9.077 -10.927 -0.930 306 H GLY 39 H GLY 39 -5.464 -6.435 -0.841 307 1HA GLY 39 1HA GLY 39 -5.585 -4.852 1.120 308 2HA GLY 39 2HA GLY 39 -7.294 -4.700 0.717 309 H VAL 40 H VAL 40 -4.376 -3.227 0.422 310 HA VAL 40 HA VAL 40 -4.675 -2.209 -2.285 311 HB VAL 40 HB VAL 40 -4.962 -0.323 0.066 312 1HG1 VAL 40 1HG1 VAL 40 -3.933 0.167 -2.429 313 2HG1 VAL 40 2HG1 VAL 40 -5.643 0.521 -2.676 314 3HG1 VAL 40 3HG1 VAL 40 -4.738 1.376 -1.428 315 1HG2 VAL 40 1HG2 VAL 40 -6.990 -1.277 -1.980 316 2HG2 VAL 40 2HG2 VAL 40 -7.000 -1.660 -0.258 317 3HG2 VAL 40 3HG2 VAL 40 -7.268 -0.001 -0.794 318 H ILE 41 H ILE 41 -2.779 -1.524 -3.092 319 HA ILE 41 HA ILE 41 -0.458 -1.565 -1.283 320 HB ILE 41 HB ILE 41 -0.730 -1.820 -4.279 321 1HG1 ILE 41 1HG1 ILE 41 0.685 -3.934 -3.555 322 2HG1 ILE 41 2HG1 ILE 41 -0.027 -3.606 -1.975 323 1HG2 ILE 41 1HG2 ILE 41 1.618 -1.093 -2.590 324 2HG2 ILE 41 2HG2 ILE 41 1.886 -2.267 -3.879 325 3HG2 ILE 41 3HG2 ILE 41 1.262 -0.663 -4.263 326 1HD1 ILE 41 1HD1 ILE 41 -2.179 -3.355 -3.715 327 2HD1 ILE 41 2HD1 ILE 41 -1.274 -4.719 -4.373 328 3HD1 ILE 41 3HD1 ILE 41 -1.832 -4.755 -2.700 329 H PHE 42 H PHE 42 0.956 0.138 -1.123 330 HA PHE 42 HA PHE 42 -0.016 2.703 -2.224 331 1HB PHE 42 1HB PHE 42 1.471 1.981 0.287 332 2HB PHE 42 2HB PHE 42 1.591 3.609 -0.378 333 HD1 PHE 42 HD1 PHE 42 -0.861 1.023 0.735 334 HD2 PHE 42 HD2 PHE 42 -0.140 5.183 -0.057 335 HE1 PHE 42 HE1 PHE 42 -3.060 1.593 1.730 336 HE2 PHE 42 HE2 PHE 42 -2.340 5.752 0.936 337 HZ PHE 42 HZ PHE 42 -3.799 3.958 1.831 338 H LEU 43 H LEU 43 1.163 3.661 -3.741 339 HA LEU 43 HA LEU 43 3.885 2.661 -4.257 340 1HB LEU 43 1HB LEU 43 2.415 4.570 -6.031 341 2HB LEU 43 2HB LEU 43 3.670 3.422 -6.448 342 HG LEU 43 HG LEU 43 1.724 1.715 -5.652 343 1HD1 LEU 43 1HD1 LEU 43 0.455 4.319 -6.248 344 2HD1 LEU 43 2HD1 LEU 43 -0.253 2.939 -7.089 345 3HD1 LEU 43 3HD1 LEU 43 -0.165 2.948 -5.327 346 1HD2 LEU 43 1HD2 LEU 43 2.055 3.016 -8.376 347 2HD2 LEU 43 2HD2 LEU 43 2.938 1.611 -7.775 348 3HD2 LEU 43 3HD2 LEU 43 1.205 1.498 -8.086 349 H THR 44 H THR 44 5.150 3.764 -2.806 350 HA THR 44 HA THR 44 4.930 6.408 -1.989 351 HB THR 44 HB THR 44 7.285 6.298 -1.399 352 HG1 THR 44 HG1 THR 44 7.269 4.068 -3.146 353 1HG2 THR 44 1HG2 THR 44 5.473 3.995 -0.952 354 2HG2 THR 44 2HG2 THR 44 7.170 3.725 -0.554 355 3HG2 THR 44 3HG2 THR 44 6.281 5.038 0.219 356 H LYS 45 H LYS 45 6.261 8.271 -2.581 357 HA LYS 45 HA LYS 45 5.944 9.047 -5.238 358 1HB LYS 45 1HB LYS 45 7.867 10.071 -3.140 359 2HB LYS 45 2HB LYS 45 7.597 10.861 -4.694 360 1HG LYS 45 1HG LYS 45 5.439 11.508 -4.149 361 2HG LYS 45 2HG LYS 45 5.217 10.178 -3.010 362 1HD LYS 45 1HD LYS 45 5.432 12.130 -1.660 363 2HD LYS 45 2HD LYS 45 6.997 11.321 -1.563 364 1HE LYS 45 1HE LYS 45 8.014 12.854 -3.048 365 2HE LYS 45 2HE LYS 45 6.461 13.439 -3.643 366 1HZ LYS 45 1HZ LYS 45 6.021 14.384 -1.464 367 2HZ LYS 45 2HZ LYS 45 7.525 13.831 -0.898 368 3HZ LYS 45 3HZ LYS 45 7.460 15.012 -2.113 369 H ARG 46 H ARG 46 8.963 8.081 -3.598 370 HA ARG 46 HA ARG 46 9.988 7.162 -6.215 371 1HB ARG 46 1HB ARG 46 11.016 9.334 -5.706 372 2HB ARG 46 2HB ARG 46 11.543 8.718 -4.139 373 1HG ARG 46 1HG ARG 46 13.034 7.153 -5.139 374 2HG ARG 46 2HG ARG 46 12.311 7.370 -6.733 375 1HD ARG 46 1HD ARG 46 13.122 9.691 -6.796 376 2HD ARG 46 2HD ARG 46 13.823 9.498 -5.193 377 HE ARG 46 HE ARG 46 14.861 7.489 -6.887 378 1HH1 ARG 46 1HH1 ARG 46 14.900 10.915 -6.395 379 2HH1 ARG 46 2HH1 ARG 46 16.491 11.130 -7.045 380 1HH2 ARG 46 1HH2 ARG 46 16.949 7.764 -7.742 381 2HH2 ARG 46 2HH2 ARG 46 17.651 9.347 -7.808 382 H GLY 47 H GLY 47 9.146 6.291 -3.165 383 1HA GLY 47 1HA GLY 47 9.802 4.634 -1.684 384 2HA GLY 47 2HA GLY 47 11.375 4.601 -2.475 385 H ARG 48 H ARG 48 8.490 2.974 -2.001 386 HA ARG 48 HA ARG 48 8.564 1.449 -4.489 387 1HB ARG 48 1HB ARG 48 9.567 0.413 -1.878 388 2HB ARG 48 2HB ARG 48 8.625 -0.680 -2.891 389 1HG ARG 48 1HG ARG 48 10.143 -0.147 -4.804 390 2HG ARG 48 2HG ARG 48 11.126 0.826 -3.709 391 1HD ARG 48 1HD ARG 48 12.214 -1.021 -3.048 392 2HD ARG 48 2HD ARG 48 10.699 -1.696 -2.459 393 HE ARG 48 HE ARG 48 10.684 -2.148 -5.187 394 1HH1 ARG 48 1HH1 ARG 48 12.738 -2.867 -2.495 395 2HH1 ARG 48 2HH1 ARG 48 13.329 -4.351 -3.164 396 1HH2 ARG 48 1HH2 ARG 48 11.455 -4.095 -6.071 397 2HH2 ARG 48 2HH2 ARG 48 12.603 -5.046 -5.189 398 H GLN 49 H GLN 49 7.046 -0.670 -3.879 399 HA GLN 49 HA GLN 49 4.470 0.554 -3.270 400 1HB GLN 49 1HB GLN 49 5.383 -1.981 -4.546 401 2HB GLN 49 2HB GLN 49 3.799 -1.978 -3.771 402 1HG GLN 49 1HG GLN 49 2.893 -0.708 -5.406 403 2HG GLN 49 2HG GLN 49 4.250 0.419 -5.382 404 2HE2 GLN 49 2HE2 GLN 49 4.545 0.489 -7.690 405 1HE2 GLN 49 1HE2 GLN 49 5.071 -0.858 -8.578 406 H VAL 50 H VAL 50 3.056 -0.183 -1.652 407 HA VAL 50 HA VAL 50 4.164 -2.034 0.351 408 HB VAL 50 HB VAL 50 3.185 0.771 0.910 409 1HG1 VAL 50 1HG1 VAL 50 3.230 -1.679 2.589 410 2HG1 VAL 50 2HG1 VAL 50 3.876 -0.218 3.336 411 3HG1 VAL 50 3HG1 VAL 50 2.222 -0.238 2.726 412 1HG2 VAL 50 1HG2 VAL 50 5.637 0.226 0.287 413 2HG2 VAL 50 2HG2 VAL 50 5.363 1.143 1.769 414 3HG2 VAL 50 3HG2 VAL 50 5.715 -0.584 1.852 415 H CYS 51 H CYS 51 2.711 -3.583 0.576 416 HA CYS 51 HA CYS 51 -0.055 -3.237 -0.138 417 1HB CYS 51 1HB CYS 51 1.354 -5.530 1.253 418 2HB CYS 51 2HB CYS 51 -0.298 -5.575 0.639 419 H ALA 52 H ALA 52 -1.704 -2.649 1.135 420 HA ALA 52 HA ALA 52 -1.497 -2.989 4.040 421 1HB ALA 52 1HB ALA 52 -0.855 -0.550 2.934 422 2HB ALA 52 2HB ALA 52 -2.565 -0.359 3.320 423 3HB ALA 52 3HB ALA 52 -1.419 -0.803 4.586 424 H ASP 53 H ASP 53 -3.556 -2.576 5.136 425 HA ASP 53 HA ASP 53 -5.852 -3.136 3.353 426 1HB ASP 53 1HB ASP 53 -4.981 -4.318 5.908 427 2HB ASP 53 2HB ASP 53 -6.695 -3.909 5.837 428 H LYS 54 H LYS 54 -7.193 -1.476 3.164 429 HA LYS 54 HA LYS 54 -7.144 0.929 4.464 430 1HB LYS 54 1HB LYS 54 -9.632 1.076 3.944 431 2HB LYS 54 2HB LYS 54 -8.584 0.707 2.574 432 1HG LYS 54 1HG LYS 54 -9.042 -1.745 3.006 433 2HG LYS 54 2HG LYS 54 -10.266 -1.240 4.171 434 1HD LYS 54 1HD LYS 54 -10.575 0.204 1.676 435 2HD LYS 54 2HD LYS 54 -10.609 -1.538 1.397 436 1HE LYS 54 1HE LYS 54 -12.166 -1.398 3.607 437 2HE LYS 54 2HE LYS 54 -12.517 0.176 2.893 438 1HZ LYS 54 1HZ LYS 54 -13.014 -0.954 0.796 439 2HZ LYS 54 2HZ LYS 54 -12.750 -2.458 1.541 440 3HZ LYS 54 3HZ LYS 54 -14.035 -1.474 2.050 441 H SER 55 H SER 55 -8.397 -2.094 5.631 442 HA SER 55 HA SER 55 -10.102 -1.247 7.676 443 1HB SER 55 1HB SER 55 -8.787 -3.690 6.930 444 2HB SER 55 2HB SER 55 -8.645 -3.461 8.671 445 HG SER 55 HG SER 55 -10.619 -4.515 7.876 446 H LYS 56 H LYS 56 -6.589 -1.476 7.560 447 HA LYS 56 HA LYS 56 -5.941 -1.176 10.243 448 1HB LYS 56 1HB LYS 56 -4.543 0.061 7.857 449 2HB LYS 56 2HB LYS 56 -3.847 -0.120 9.468 450 1HG LYS 56 1HG LYS 56 -4.988 -2.606 8.386 451 2HG LYS 56 2HG LYS 56 -3.631 -1.980 7.450 452 1HD LYS 56 1HD LYS 56 -2.146 -2.129 9.252 453 2HD LYS 56 2HD LYS 56 -3.444 -2.113 10.447 454 1HE LYS 56 1HE LYS 56 -4.109 -4.360 9.854 455 2HE LYS 56 2HE LYS 56 -2.997 -4.378 8.485 456 1HZ LYS 56 1HZ LYS 56 -2.082 -3.979 11.273 457 2HZ LYS 56 2HZ LYS 56 -2.214 -5.520 10.570 458 3HZ LYS 56 3HZ LYS 56 -1.149 -4.377 9.910 459 H ASP 57 H ASP 57 -4.569 1.123 10.667 460 HA ASP 57 HA ASP 57 -6.736 3.126 10.768 461 1HB ASP 57 1HB ASP 57 -4.365 2.584 12.544 462 2HB ASP 57 2HB ASP 57 -5.188 4.144 12.571 463 H TRP 58 H TRP 58 -3.188 2.924 10.435 464 HA TRP 58 HA TRP 58 -2.912 5.592 9.473 465 1HB TRP 58 1HB TRP 58 -0.628 4.891 8.816 466 2HB TRP 58 2HB TRP 58 -1.012 4.442 10.477 467 HD1 TRP 58 HD1 TRP 58 -1.483 1.864 10.987 468 HE1 TRP 58 HE1 TRP 58 -0.788 -0.276 9.729 469 HE3 TRP 58 HE3 TRP 58 -0.197 3.873 6.473 470 HZ2 TRP 58 HZ2 TRP 58 0.185 -1.036 7.143 471 HZ3 TRP 58 HZ3 TRP 58 0.611 2.423 4.634 472 HH2 TRP 58 HH2 TRP 58 0.802 -0.026 4.963 473 H VAL 59 H VAL 59 -3.625 2.532 7.989 474 HA VAL 59 HA VAL 59 -3.008 3.311 5.297 475 HB VAL 59 HB VAL 59 -4.817 1.114 6.334 476 1HG1 VAL 59 1HG1 VAL 59 -3.680 1.712 3.588 477 2HG1 VAL 59 2HG1 VAL 59 -4.393 0.161 4.033 478 3HG1 VAL 59 3HG1 VAL 59 -5.383 1.621 4.039 479 1HG2 VAL 59 1HG2 VAL 59 -1.920 1.131 5.427 480 2HG2 VAL 59 2HG2 VAL 59 -2.498 0.847 7.069 481 3HG2 VAL 59 3HG2 VAL 59 -2.848 -0.323 5.797 482 H LYS 60 H LYS 60 -5.712 3.665 7.443 483 HA LYS 60 HA LYS 60 -7.659 4.273 5.412 484 1HB LYS 60 1HB LYS 60 -8.055 3.477 7.861 485 2HB LYS 60 2HB LYS 60 -7.874 5.184 8.269 486 1HG LYS 60 1HG LYS 60 -9.663 5.769 6.687 487 2HG LYS 60 2HG LYS 60 -9.834 4.072 6.238 488 1HD LYS 60 1HD LYS 60 -10.534 3.486 8.484 489 2HD LYS 60 2HD LYS 60 -10.198 5.120 9.058 490 1HE LYS 60 1HE LYS 60 -12.209 5.860 8.360 491 2HE LYS 60 2HE LYS 60 -11.970 5.167 6.756 492 1HZ LYS 60 1HZ LYS 60 -12.456 3.202 8.796 493 2HZ LYS 60 2HZ LYS 60 -13.749 4.285 8.592 494 3HZ LYS 60 3HZ LYS 60 -13.182 3.386 7.271 495 H LYS 61 H LYS 61 -5.693 6.166 7.684 496 HA LYS 61 HA LYS 61 -6.641 8.718 7.016 497 1HB LYS 61 1HB LYS 61 -4.804 7.793 8.787 498 2HB LYS 61 2HB LYS 61 -3.744 8.503 7.570 499 1HG LYS 61 1HG LYS 61 -4.904 10.634 7.728 500 2HG LYS 61 2HG LYS 61 -6.097 9.942 8.827 501 1HD LYS 61 1HD LYS 61 -3.502 9.386 9.885 502 2HD LYS 61 2HD LYS 61 -3.569 11.102 9.479 503 1HE LYS 61 1HE LYS 61 -5.890 11.054 10.659 504 2HE LYS 61 2HE LYS 61 -5.319 9.546 11.373 505 1HZ LYS 61 1HZ LYS 61 -3.207 11.115 11.761 506 2HZ LYS 61 2HZ LYS 61 -4.445 12.270 11.851 507 3HZ LYS 61 3HZ LYS 61 -4.457 10.931 12.896 508 H LEU 62 H LEU 62 -3.984 6.809 5.639 509 HA LEU 62 HA LEU 62 -3.005 8.690 3.818 510 1HB LEU 62 1HB LEU 62 -3.190 5.697 3.503 511 2HB LEU 62 2HB LEU 62 -2.218 6.753 2.503 512 HG LEU 62 HG LEU 62 -1.752 6.819 5.449 513 1HD1 LEU 62 1HD1 LEU 62 -1.350 4.470 3.667 514 2HD1 LEU 62 2HD1 LEU 62 -0.007 4.891 4.731 515 3HD1 LEU 62 3HD1 LEU 62 -1.593 4.529 5.413 516 1HD2 LEU 62 1HD2 LEU 62 -0.450 7.606 2.969 517 2HD2 LEU 62 2HD2 LEU 62 -0.089 8.104 4.621 518 3HD2 LEU 62 3HD2 LEU 62 0.624 6.628 3.970 519 H MET 63 H MET 63 -5.559 6.265 3.439 520 HA MET 63 HA MET 63 -6.207 6.610 0.775 521 1HB MET 63 1HB MET 63 -7.964 6.045 3.164 522 2HB MET 63 2HB MET 63 -8.595 6.077 1.517 523 1HG MET 63 1HG MET 63 -6.519 4.474 1.066 524 2HG MET 63 2HG MET 63 -6.707 4.136 2.786 525 1HE MET 63 1HE MET 63 -7.149 3.280 -0.367 526 2HE MET 63 2HE MET 63 -7.510 1.673 0.279 527 3HE MET 63 3HE MET 63 -8.704 2.521 -0.700 528 H GLN 64 H GLN 64 -7.179 8.546 3.560 529 HA GLN 64 HA GLN 64 -8.793 10.342 1.952 530 1HB GLN 64 1HB GLN 64 -8.236 9.947 4.816 531 2HB GLN 64 2HB GLN 64 -8.429 11.634 4.337 532 1HG GLN 64 1HG GLN 64 -10.589 11.170 3.344 533 2HG GLN 64 2HG GLN 64 -10.382 9.437 3.601 534 2HE2 GLN 64 2HE2 GLN 64 -12.632 10.670 4.727 535 1HE2 GLN 64 1HE2 GLN 64 -12.453 10.755 6.413 536 H GLN 65 H GLN 65 -5.547 10.178 3.216 537 HA GLN 65 HA GLN 65 -4.914 12.951 2.791 538 1HB GLN 65 1HB GLN 65 -3.411 10.499 3.557 539 2HB GLN 65 2HB GLN 65 -2.489 11.821 2.841 540 1HG GLN 65 1HG GLN 65 -4.378 12.837 4.790 541 2HG GLN 65 2HG GLN 65 -3.333 11.616 5.515 542 2HE2 GLN 65 2HE2 GLN 65 -2.927 14.174 6.430 543 1HE2 GLN 65 1HE2 GLN 65 -1.505 14.832 5.776 544 H LEU 66 H LEU 66 -4.693 9.985 0.934 545 HA LEU 66 HA LEU 66 -3.627 11.541 -1.350 546 1HB LEU 66 1HB LEU 66 -3.457 8.558 -1.160 547 2HB LEU 66 2HB LEU 66 -2.499 9.655 -2.130 548 HG LEU 66 HG LEU 66 -2.315 9.382 0.880 549 1HD1 LEU 66 1HD1 LEU 66 -1.488 7.495 -0.798 550 2HD1 LEU 66 2HD1 LEU 66 -0.143 8.611 -1.031 551 3HD1 LEU 66 3HD1 LEU 66 -0.495 7.978 0.577 552 1HD2 LEU 66 1HD2 LEU 66 -1.367 11.361 -1.021 553 2HD2 LEU 66 2HD2 LEU 66 -1.254 11.369 0.739 554 3HD2 LEU 66 3HD2 LEU 66 -0.012 10.566 -0.221 555 HA PRO 67 HA PRO 67 -7.299 10.473 -3.507 556 1HB PRO 67 1HB PRO 67 -6.378 10.569 -6.080 557 2HB PRO 67 2HB PRO 67 -6.636 12.001 -5.073 558 1HG PRO 67 1HG PRO 67 -4.096 10.704 -5.874 559 2HG PRO 67 2HG PRO 67 -4.415 12.390 -5.439 560 1HD PRO 67 1HD PRO 67 -3.237 10.416 -3.773 561 2HD PRO 67 2HD PRO 67 -3.805 12.025 -3.267 562 H VAL 68 H VAL 68 -5.315 9.062 -6.005 563 HA VAL 68 HA VAL 68 -5.135 6.410 -5.272 564 HB VAL 68 HB VAL 68 -7.815 7.011 -5.346 565 1HG1 VAL 68 1HG1 VAL 68 -7.513 7.247 -7.902 566 2HG1 VAL 68 2HG1 VAL 68 -7.322 5.494 -7.905 567 3HG1 VAL 68 3HG1 VAL 68 -8.823 6.217 -7.326 568 1HG2 VAL 68 1HG2 VAL 68 -6.371 4.934 -4.602 569 2HG2 VAL 68 2HG2 VAL 68 -8.092 4.744 -4.935 570 3HG2 VAL 68 3HG2 VAL 68 -6.902 4.273 -6.149 571 H THR 69 H THR 69 -4.263 5.159 -6.904 572 HA THR 69 HA THR 69 -3.219 6.561 -9.162 573 HB THR 69 HB THR 69 -2.013 4.614 -9.620 574 HG1 THR 69 HG1 THR 69 -3.354 3.001 -9.892 575 1HG2 THR 69 1HG2 THR 69 -2.341 5.392 -6.913 576 2HG2 THR 69 2HG2 THR 69 -2.225 3.633 -6.933 577 3HG2 THR 69 3HG2 THR 69 -0.943 4.609 -7.648 578 H ALA 70 H ALA 70 -4.650 7.209 -10.673 579 HA ALA 70 HA ALA 70 -6.374 5.135 -11.876 580 1HB ALA 70 1HB ALA 70 -7.899 7.092 -12.489 581 2HB ALA 70 2HB ALA 70 -7.887 6.607 -10.794 582 3HB ALA 70 3HB ALA 70 -6.986 8.033 -11.309 583 H ARG 71 H ARG 71 -5.315 4.610 -13.695 584 HA ARG 71 HA ARG 71 -5.203 6.438 -15.866 585 1HB ARG 71 1HB ARG 71 -3.199 7.156 -14.429 586 2HB ARG 71 2HB ARG 71 -2.468 5.620 -14.896 587 1HG ARG 71 1HG ARG 71 -1.778 7.431 -16.428 588 2HG ARG 71 2HG ARG 71 -2.731 6.212 -17.276 589 1HD ARG 71 1HD ARG 71 -4.309 8.394 -16.067 590 2HD ARG 71 2HD ARG 71 -3.238 8.897 -17.370 591 HE ARG 71 HE ARG 71 -4.523 6.673 -18.355 592 1HH1 ARG 71 1HH1 ARG 71 -5.454 9.703 -16.965 593 2HH1 ARG 71 2HH1 ARG 71 -6.931 9.820 -17.863 594 1HH2 ARG 71 1HH2 ARG 71 -6.459 6.820 -19.537 595 2HH2 ARG 71 2HH2 ARG 71 -7.500 8.187 -19.319 No H/Q in entry = 595
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