NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | position | program | type |
4758 | 1fow | cing | recoord | dress | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H MET 1 1H MET 1 19.376 12.720 -1.062 2 2H MET 1 2H MET 1 19.845 11.655 0.176 3 3H MET 1 3H MET 1 21.011 12.589 -0.634 4 HA MET 1 HA MET 1 21.330 10.925 -2.038 5 1HB MET 1 1HB MET 1 19.997 9.691 -0.051 6 2HB MET 1 2HB MET 1 18.830 9.456 -1.352 7 1HG MET 1 1HG MET 1 20.400 7.571 -1.280 8 2HG MET 1 2HG MET 1 20.626 8.491 -2.767 9 1HE MET 1 1HE MET 1 22.178 9.400 -3.555 10 2HE MET 1 2HE MET 1 23.554 10.237 -2.823 11 3HE MET 1 3HE MET 1 23.697 8.546 -3.294 12 H THR 2 H THR 2 20.576 12.804 -3.496 13 HA THR 2 HA THR 2 19.589 13.280 -5.568 14 HB THR 2 HB THR 2 19.357 10.570 -5.456 15 HG1 THR 2 HG1 THR 2 18.255 10.977 -7.602 16 1HG2 THR 2 1HG2 THR 2 16.910 11.212 -4.491 17 2HG2 THR 2 2HG2 THR 2 16.572 11.244 -6.221 18 3HG2 THR 2 3HG2 THR 2 17.211 9.781 -5.475 19 H PHE 3 H PHE 3 16.864 13.078 -6.300 20 HA PHE 3 HA PHE 3 15.713 14.960 -4.324 21 1HB PHE 3 1HB PHE 3 14.305 14.215 -6.859 22 2HB PHE 3 2HB PHE 3 14.402 15.780 -6.051 23 HD1 PHE 3 HD1 PHE 3 16.581 17.068 -6.113 24 HD2 PHE 3 HD2 PHE 3 15.871 13.596 -8.542 25 HE1 PHE 3 HE1 PHE 3 18.467 17.713 -7.588 26 HE2 PHE 3 HE2 PHE 3 17.757 14.242 -10.016 27 HZ PHE 3 HZ PHE 3 19.056 16.301 -9.539 28 H ILE 4 H ILE 4 15.694 12.502 -3.176 29 HA ILE 4 HA ILE 4 12.820 11.935 -2.979 30 HB ILE 4 HB ILE 4 14.537 9.531 -3.487 31 1HG1 ILE 4 1HG1 ILE 4 13.196 11.162 -5.667 32 2HG1 ILE 4 2HG1 ILE 4 14.933 11.130 -5.381 33 1HG2 ILE 4 1HG2 ILE 4 12.020 9.688 -2.705 34 2HG2 ILE 4 2HG2 ILE 4 11.719 9.992 -4.417 35 3HG2 ILE 4 3HG2 ILE 4 12.492 8.490 -3.910 36 1HD1 ILE 4 1HD1 ILE 4 13.426 8.557 -5.754 37 2HD1 ILE 4 2HD1 ILE 4 13.923 9.503 -7.157 38 3HD1 ILE 4 3HD1 ILE 4 15.135 8.889 -6.033 39 H THR 5 H THR 5 13.598 9.279 -1.739 40 HA THR 5 HA THR 5 14.505 8.436 0.276 41 HB THR 5 HB THR 5 16.037 9.620 1.566 42 HG1 THR 5 HG1 THR 5 15.595 11.543 2.214 43 1HG2 THR 5 1HG2 THR 5 16.226 9.895 -1.234 44 2HG2 THR 5 2HG2 THR 5 16.716 11.448 -0.559 45 3HG2 THR 5 3HG2 THR 5 17.541 9.970 -0.062 46 H LYS 6 H LYS 6 12.590 11.379 0.136 47 HA LYS 6 HA LYS 6 11.409 10.804 2.790 48 1HB LYS 6 1HB LYS 6 11.012 13.038 0.783 49 2HB LYS 6 2HB LYS 6 10.036 12.878 2.244 50 1HG LYS 6 1HG LYS 6 11.681 13.721 3.532 51 2HG LYS 6 2HG LYS 6 12.872 12.621 2.835 52 1HD LYS 6 1HD LYS 6 13.765 14.497 1.919 53 2HD LYS 6 2HD LYS 6 12.444 14.361 0.758 54 1HE LYS 6 1HE LYS 6 11.629 16.329 1.479 55 2HE LYS 6 2HE LYS 6 11.390 15.624 3.078 56 1HZ LYS 6 1HZ LYS 6 13.966 16.062 3.215 57 2HZ LYS 6 2HZ LYS 6 13.591 17.265 2.076 58 3HZ LYS 6 3HZ LYS 6 12.840 17.270 3.599 59 H THR 7 H THR 7 11.018 8.805 0.832 60 HA THR 7 HA THR 7 8.808 8.810 -0.798 61 HB THR 7 HB THR 7 8.369 6.428 0.304 62 HG1 THR 7 HG1 THR 7 10.289 5.735 1.327 63 1HG2 THR 7 1HG2 THR 7 9.562 7.152 -1.899 64 2HG2 THR 7 2HG2 THR 7 11.047 6.844 -0.999 65 3HG2 THR 7 3HG2 THR 7 9.883 5.543 -1.251 66 HA PRO 8 HA PRO 8 5.318 9.772 1.695 67 1HB PRO 8 1HB PRO 8 3.383 8.726 0.042 68 2HB PRO 8 2HB PRO 8 4.230 10.247 -0.286 69 1HG PRO 8 1HG PRO 8 4.577 7.585 -1.583 70 2HG PRO 8 2HG PRO 8 4.894 9.201 -2.236 71 1HD PRO 8 1HD PRO 8 6.842 7.395 -1.256 72 2HD PRO 8 2HD PRO 8 7.095 9.119 -1.605 73 HA PRO 9 HA PRO 9 3.965 6.180 3.877 74 1HB PRO 9 1HB PRO 9 1.303 6.711 4.328 75 2HB PRO 9 2HB PRO 9 2.626 7.527 5.180 76 1HG PRO 9 1HG PRO 9 0.872 8.566 3.001 77 2HG PRO 9 2HG PRO 9 1.715 9.452 4.282 78 1HD PRO 9 1HD PRO 9 2.549 9.260 1.592 79 2HD PRO 9 2HD PRO 9 3.547 9.820 2.950 80 H ALA 10 H ALA 10 2.907 4.135 3.613 81 HA ALA 10 HA ALA 10 2.179 3.461 0.892 82 1HB ALA 10 1HB ALA 10 2.929 2.058 3.235 83 2HB ALA 10 2HB ALA 10 1.334 1.457 2.783 84 3HB ALA 10 3HB ALA 10 2.662 1.389 1.625 85 H ALA 11 H ALA 11 0.447 4.996 3.288 86 HA ALA 11 HA ALA 11 -2.141 3.717 2.663 87 1HB ALA 11 1HB ALA 11 -1.107 5.557 4.718 88 2HB ALA 11 2HB ALA 11 -2.731 5.952 4.152 89 3HB ALA 11 3HB ALA 11 -2.395 4.358 4.829 90 H VAL 12 H VAL 12 -0.187 6.230 1.453 91 HA VAL 12 HA VAL 12 -2.536 7.618 0.257 92 HB VAL 12 HB VAL 12 -0.806 8.994 1.436 93 1HG1 VAL 12 1HG1 VAL 12 0.922 7.731 -0.684 94 2HG1 VAL 12 2HG1 VAL 12 1.331 9.311 -0.018 95 3HG1 VAL 12 3HG1 VAL 12 1.240 7.906 1.042 96 1HG2 VAL 12 1HG2 VAL 12 -1.914 9.356 -1.186 97 2HG2 VAL 12 2HG2 VAL 12 -1.536 10.584 0.022 98 3HG2 VAL 12 3HG2 VAL 12 -0.310 10.089 -1.145 99 H LEU 13 H LEU 13 0.297 5.698 -0.519 100 HA LEU 13 HA LEU 13 -0.108 6.095 -3.421 101 1HB LEU 13 1HB LEU 13 1.969 4.809 -1.697 102 2HB LEU 13 2HB LEU 13 1.782 4.203 -3.343 103 HG LEU 13 HG LEU 13 2.307 7.078 -2.534 104 1HD1 LEU 13 1HD1 LEU 13 3.963 4.987 -3.977 105 2HD1 LEU 13 2HD1 LEU 13 4.406 6.690 -3.857 106 3HD1 LEU 13 3HD1 LEU 13 4.304 5.701 -2.400 107 1HD2 LEU 13 1HD2 LEU 13 1.098 5.939 -4.904 108 2HD2 LEU 13 2HD2 LEU 13 1.381 7.636 -4.514 109 3HD2 LEU 13 3HD2 LEU 13 2.639 6.694 -5.314 110 H LEU 14 H LEU 14 -0.391 3.512 -0.986 111 HA LEU 14 HA LEU 14 -1.150 1.424 -2.764 112 1HB LEU 14 1HB LEU 14 -1.964 1.910 0.119 113 2HB LEU 14 2HB LEU 14 -2.215 0.396 -0.752 114 HG LEU 14 HG LEU 14 0.473 1.714 -0.259 115 1HD1 LEU 14 1HD1 LEU 14 -0.913 0.482 1.641 116 2HD1 LEU 14 2HD1 LEU 14 -0.332 -0.964 0.815 117 3HD1 LEU 14 3HD1 LEU 14 0.820 0.203 1.466 118 1HD2 LEU 14 1HD2 LEU 14 -0.297 -0.917 -1.561 119 2HD2 LEU 14 2HD2 LEU 14 0.417 0.477 -2.372 120 3HD2 LEU 14 3HD2 LEU 14 1.354 -0.427 -1.183 121 H LYS 15 H LYS 15 -3.294 3.459 -0.732 122 HA LYS 15 HA LYS 15 -5.751 2.649 -1.799 123 1HB LYS 15 1HB LYS 15 -4.728 5.082 -0.467 124 2HB LYS 15 2HB LYS 15 -6.175 5.330 -1.446 125 1HG LYS 15 1HG LYS 15 -6.974 3.116 -0.218 126 2HG LYS 15 2HG LYS 15 -5.804 3.638 0.995 127 1HD LYS 15 1HD LYS 15 -7.566 5.781 -0.017 128 2HD LYS 15 2HD LYS 15 -8.392 4.514 0.890 129 1HE LYS 15 1HE LYS 15 -7.189 4.941 2.844 130 2HE LYS 15 2HE LYS 15 -5.847 5.683 1.974 131 1HZ LYS 15 1HZ LYS 15 -8.465 6.966 1.779 132 2HZ LYS 15 2HZ LYS 15 -7.632 7.112 3.252 133 3HZ LYS 15 3HZ LYS 15 -6.915 7.662 1.817 134 H LYS 16 H LYS 16 -3.249 4.558 -3.280 135 HA LYS 16 HA LYS 16 -4.765 5.900 -5.280 136 1HB LYS 16 1HB LYS 16 -2.061 5.640 -4.639 137 2HB LYS 16 2HB LYS 16 -2.189 4.939 -6.252 138 1HG LYS 16 1HG LYS 16 -3.718 7.119 -6.626 139 2HG LYS 16 2HG LYS 16 -2.657 7.741 -5.362 140 1HD LYS 16 1HD LYS 16 -0.986 7.995 -6.844 141 2HD LYS 16 2HD LYS 16 -1.078 6.286 -7.273 142 1HE LYS 16 1HE LYS 16 -2.336 6.685 -9.137 143 2HE LYS 16 2HE LYS 16 -3.237 7.994 -8.372 144 1HZ LYS 16 1HZ LYS 16 -1.056 9.274 -8.520 145 2HZ LYS 16 2HZ LYS 16 -0.564 8.086 -9.626 146 3HZ LYS 16 3HZ LYS 16 -1.927 9.043 -9.960 147 H ALA 17 H ALA 17 -3.123 2.723 -5.405 148 HA ALA 17 HA ALA 17 -3.780 1.962 -8.008 149 1HB ALA 17 1HB ALA 17 -2.720 0.681 -5.796 150 2HB ALA 17 2HB ALA 17 -4.223 -0.200 -6.074 151 3HB ALA 17 3HB ALA 17 -3.024 -0.074 -7.361 152 H ALA 18 H ALA 18 -5.705 0.842 -5.203 153 HA ALA 18 HA ALA 18 -7.954 -0.047 -6.545 154 1HB ALA 18 1HB ALA 18 -7.651 1.356 -3.898 155 2HB ALA 18 2HB ALA 18 -9.248 0.886 -4.480 156 3HB ALA 18 3HB ALA 18 -8.010 -0.341 -4.215 157 H GLY 19 H GLY 19 -7.715 3.281 -5.221 158 1HA GLY 19 1HA GLY 19 -8.163 5.079 -7.004 159 2HA GLY 19 2HA GLY 19 -9.594 4.123 -7.389 160 H ILE 20 H ILE 20 -8.284 4.807 -4.158 161 HA ILE 20 HA ILE 20 -10.870 6.181 -3.544 162 HB ILE 20 HB ILE 20 -9.038 4.944 -1.489 163 1HG1 ILE 20 1HG1 ILE 20 -11.234 3.224 -1.970 164 2HG1 ILE 20 2HG1 ILE 20 -10.532 3.579 -3.549 165 1HG2 ILE 20 1HG2 ILE 20 -11.739 6.137 -1.595 166 2HG2 ILE 20 2HG2 ILE 20 -11.630 4.640 -0.668 167 3HG2 ILE 20 3HG2 ILE 20 -10.613 6.017 -0.243 168 1HD1 ILE 20 1HD1 ILE 20 -8.257 3.071 -2.483 169 2HD1 ILE 20 2HD1 ILE 20 -9.163 2.391 -1.131 170 3HD1 ILE 20 3HD1 ILE 20 -9.326 1.691 -2.741 171 H GLU 21 H GLU 21 -9.165 7.880 -4.668 172 HA GLU 21 HA GLU 21 -7.376 9.075 -2.659 173 1HB GLU 21 1HB GLU 21 -8.125 10.288 -5.322 174 2HB GLU 21 2HB GLU 21 -6.640 10.512 -4.397 175 1HG GLU 21 1HG GLU 21 -5.930 8.253 -4.845 176 2HG GLU 21 2HG GLU 21 -7.490 7.849 -5.563 177 H SER 22 H SER 22 -10.013 9.041 -1.740 178 HA SER 22 HA SER 22 -11.603 10.479 -0.787 179 1HB SER 22 1HB SER 22 -9.409 11.720 -0.240 180 2HB SER 22 2HB SER 22 -9.803 12.765 -1.603 181 HG SER 22 HG SER 22 -10.827 13.755 0.001 182 H GLY 23 H GLY 23 -12.502 9.696 -3.105 183 1HA GLY 23 1HA GLY 23 -12.749 11.313 -5.332 184 2HA GLY 23 2HA GLY 23 -14.094 10.348 -4.722 185 H SER 24 H SER 24 -15.040 11.471 -2.573 186 HA SER 24 HA SER 24 -14.973 14.284 -2.280 187 1HB SER 24 1HB SER 24 -16.808 13.261 -4.410 188 2HB SER 24 2HB SER 24 -17.369 14.585 -3.393 189 HG SER 24 HG SER 24 -15.752 14.717 -5.457 190 H GLY 25 H GLY 25 -16.858 11.319 -2.142 191 1HA GLY 25 1HA GLY 25 -17.462 10.928 0.375 192 2HA GLY 25 2HA GLY 25 -18.390 12.414 0.167 193 H GLU 26 H GLU 26 -18.001 9.178 -1.303 194 HA GLU 26 HA GLU 26 -20.961 9.165 -1.715 195 1HB GLU 26 1HB GLU 26 -18.793 8.356 -3.664 196 2HB GLU 26 2HB GLU 26 -20.466 7.821 -3.832 197 1HG GLU 26 1HG GLU 26 -20.664 10.571 -3.371 198 2HG GLU 26 2HG GLU 26 -19.290 10.409 -4.465 199 HA PRO 27 HA PRO 27 -19.410 5.337 0.429 200 1HB PRO 27 1HB PRO 27 -20.689 5.782 2.817 201 2HB PRO 27 2HB PRO 27 -19.046 6.351 2.472 202 1HG PRO 27 1HG PRO 27 -21.579 7.913 2.615 203 2HG PRO 27 2HG PRO 27 -19.912 8.453 2.874 204 1HD PRO 27 1HD PRO 27 -21.462 8.860 0.526 205 2HD PRO 27 2HD PRO 27 -19.717 9.146 0.701 206 H ASN 28 H ASN 28 -21.608 5.647 -1.423 207 HA ASN 28 HA ASN 28 -24.188 5.155 -0.593 208 1HB ASN 28 1HB ASN 28 -22.570 4.056 -2.868 209 2HB ASN 28 2HB ASN 28 -24.197 3.433 -2.593 210 1HD2 ASN 28 1HD2 ASN 28 -25.577 6.868 -3.019 211 2HD2 ASN 28 2HD2 ASN 28 -25.601 5.698 -1.790 212 H ARG 29 H ARG 29 -22.702 2.203 -1.751 213 HA ARG 29 HA ARG 29 -22.790 0.935 0.901 214 1HB ARG 29 1HB ARG 29 -24.928 0.620 -1.125 215 2HB ARG 29 2HB ARG 29 -24.321 -0.884 -0.431 216 1HG ARG 29 1HG ARG 29 -25.027 -0.344 1.710 217 2HG ARG 29 2HG ARG 29 -24.932 1.392 1.416 218 1HD ARG 29 1HD ARG 29 -27.286 0.230 1.545 219 2HD ARG 29 2HD ARG 29 -26.987 1.455 0.312 220 HE ARG 29 HE ARG 29 -27.064 -1.484 -0.179 221 1HH1 ARG 29 1HH1 ARG 29 -25.657 -1.211 -2.360 222 2HH1 ARG 29 2HH1 ARG 29 -26.537 -0.278 -3.525 223 1HH2 ARG 29 1HH2 ARG 29 -28.757 1.021 -1.200 224 2HH2 ARG 29 2HH2 ARG 29 -28.291 0.986 -2.868 225 H ASN 30 H ASN 30 -21.840 -1.226 0.844 226 HA ASN 30 HA ASN 30 -20.215 -2.746 0.098 227 1HB ASN 30 1HB ASN 30 -21.095 -2.114 -2.717 228 2HB ASN 30 2HB ASN 30 -20.543 -3.653 -2.054 229 1HD2 ASN 30 1HD2 ASN 30 -23.341 -1.714 -2.670 230 2HD2 ASN 30 2HD2 ASN 30 -24.469 -2.707 -1.880 231 H LYS 31 H LYS 31 -18.558 -2.774 -2.116 232 HA LYS 31 HA LYS 31 -16.698 -1.705 -3.080 233 1HB LYS 31 1HB LYS 31 -17.883 0.917 -2.153 234 2HB LYS 31 2HB LYS 31 -16.803 0.632 -3.519 235 1HG LYS 31 1HG LYS 31 -19.155 -1.009 -3.796 236 2HG LYS 31 2HG LYS 31 -19.634 0.671 -3.549 237 1HD LYS 31 1HD LYS 31 -18.995 1.210 -5.637 238 2HD LYS 31 2HD LYS 31 -17.382 0.556 -5.349 239 1HE LYS 31 1HE LYS 31 -19.797 -1.127 -6.074 240 2HE LYS 31 2HE LYS 31 -18.583 -0.582 -7.232 241 1HZ LYS 31 1HZ LYS 31 -16.974 -1.644 -5.485 242 2HZ LYS 31 2HZ LYS 31 -18.347 -2.552 -5.076 243 3HZ LYS 31 3HZ LYS 31 -17.738 -2.603 -6.661 244 H VAL 32 H VAL 32 -15.390 -2.631 -1.378 245 HA VAL 32 HA VAL 32 -14.755 -0.745 0.851 246 HB VAL 32 HB VAL 32 -15.520 -2.990 1.559 247 1HG1 VAL 32 1HG1 VAL 32 -13.119 -3.912 -0.048 248 2HG1 VAL 32 2HG1 VAL 32 -14.033 -4.938 1.057 249 3HG1 VAL 32 3HG1 VAL 32 -14.811 -4.280 -0.382 250 1HG2 VAL 32 1HG2 VAL 32 -13.301 -1.605 2.452 251 2HG2 VAL 32 2HG2 VAL 32 -14.040 -2.975 3.281 252 3HG2 VAL 32 3HG2 VAL 32 -12.662 -3.231 2.210 253 H ALA 33 H ALA 33 -13.709 -0.429 -1.837 254 HA ALA 33 HA ALA 33 -11.660 -0.202 -2.974 255 1HB ALA 33 1HB ALA 33 -10.920 0.244 -0.075 256 2HB ALA 33 2HB ALA 33 -9.765 0.465 -1.390 257 3HB ALA 33 3HB ALA 33 -11.219 1.460 -1.318 258 H THR 34 H THR 34 -11.629 -2.474 -3.649 259 HA THR 34 HA THR 34 -10.007 -4.309 -1.986 260 HB THR 34 HB THR 34 -10.533 -5.703 -4.269 261 HG1 THR 34 HG1 THR 34 -12.729 -5.112 -4.766 262 1HG2 THR 34 1HG2 THR 34 -12.081 -5.283 -1.727 263 2HG2 THR 34 2HG2 THR 34 -12.696 -6.380 -2.964 264 3HG2 THR 34 3HG2 THR 34 -11.122 -6.676 -2.226 265 H ILE 35 H ILE 35 -7.859 -4.612 -2.365 266 HA ILE 35 HA ILE 35 -6.774 -3.605 -4.969 267 HB ILE 35 HB ILE 35 -5.534 -3.614 -2.205 268 1HG1 ILE 35 1HG1 ILE 35 -6.356 -1.464 -4.176 269 2HG1 ILE 35 2HG1 ILE 35 -6.977 -1.718 -2.546 270 1HG2 ILE 35 1HG2 ILE 35 -3.918 -4.297 -3.999 271 2HG2 ILE 35 2HG2 ILE 35 -4.270 -2.783 -4.833 272 3HG2 ILE 35 3HG2 ILE 35 -3.510 -2.757 -3.242 273 1HD1 ILE 35 1HD1 ILE 35 -4.395 -1.437 -1.921 274 2HD1 ILE 35 2HD1 ILE 35 -4.390 -0.512 -3.423 275 3HD1 ILE 35 3HD1 ILE 35 -5.457 -0.040 -2.100 276 H LYS 36 H LYS 36 -6.433 -5.417 -6.189 277 HA LYS 36 HA LYS 36 -6.090 -8.047 -5.383 278 1HB LYS 36 1HB LYS 36 -4.954 -6.514 -7.713 279 2HB LYS 36 2HB LYS 36 -4.547 -8.214 -7.482 280 1HG LYS 36 1HG LYS 36 -6.938 -8.797 -7.467 281 2HG LYS 36 2HG LYS 36 -7.360 -7.097 -7.676 282 1HD LYS 36 1HD LYS 36 -6.526 -7.025 -9.868 283 2HD LYS 36 2HD LYS 36 -5.514 -8.450 -9.630 284 1HE LYS 36 1HE LYS 36 -7.432 -9.062 -11.004 285 2HE LYS 36 2HE LYS 36 -7.585 -9.833 -9.425 286 1HZ LYS 36 1HZ LYS 36 -8.798 -7.462 -9.035 287 2HZ LYS 36 2HZ LYS 36 -9.220 -7.798 -10.646 288 3HZ LYS 36 3HZ LYS 36 -9.602 -8.906 -9.416 289 H ARG 37 H ARG 37 -4.041 -9.366 -5.311 290 HA ARG 37 HA ARG 37 -2.102 -8.049 -3.539 291 1HB ARG 37 1HB ARG 37 -3.098 -10.581 -3.616 292 2HB ARG 37 2HB ARG 37 -1.587 -10.807 -4.494 293 1HG ARG 37 1HG ARG 37 -1.333 -11.152 -2.036 294 2HG ARG 37 2HG ARG 37 -0.321 -9.845 -2.648 295 1HD ARG 37 1HD ARG 37 -1.648 -8.185 -1.690 296 2HD ARG 37 2HD ARG 37 -3.075 -9.219 -1.631 297 HE ARG 37 HE ARG 37 -1.474 -8.873 0.571 298 1HH1 ARG 37 1HH1 ARG 37 0.363 -10.963 0.118 299 2HH1 ARG 37 2HH1 ARG 37 -0.457 -12.414 0.589 300 1HH2 ARG 37 1HH2 ARG 37 -3.614 -10.989 0.468 301 2HH2 ARG 37 2HH2 ARG 37 -2.707 -12.428 0.787 302 H ASP 38 H ASP 38 -2.236 -9.391 -6.804 303 HA ASP 38 HA ASP 38 0.563 -9.223 -7.368 304 1HB ASP 38 1HB ASP 38 -1.939 -9.400 -8.996 305 2HB ASP 38 2HB ASP 38 -0.454 -8.911 -9.815 306 H LYS 39 H LYS 39 -1.760 -6.796 -6.853 307 HA LYS 39 HA LYS 39 -0.162 -4.801 -8.391 308 1HB LYS 39 1HB LYS 39 -2.700 -4.982 -8.697 309 2HB LYS 39 2HB LYS 39 -2.838 -4.328 -7.064 310 1HG LYS 39 1HG LYS 39 -2.689 -2.277 -7.993 311 2HG LYS 39 2HG LYS 39 -0.995 -2.646 -8.318 312 1HD LYS 39 1HD LYS 39 -1.400 -2.663 -10.529 313 2HD LYS 39 2HD LYS 39 -2.610 -3.928 -10.313 314 1HE LYS 39 1HE LYS 39 -4.368 -2.386 -10.093 315 2HE LYS 39 2HE LYS 39 -3.280 -1.061 -9.681 316 1HZ LYS 39 1HZ LYS 39 -3.184 -2.390 -12.321 317 2HZ LYS 39 2HZ LYS 39 -4.239 -1.094 -12.014 318 3HZ LYS 39 3HZ LYS 39 -2.563 -0.872 -11.878 319 H VAL 40 H VAL 40 -1.814 -5.116 -5.222 320 HA VAL 40 HA VAL 40 -0.692 -2.890 -3.956 321 HB VAL 40 HB VAL 40 -2.351 -4.820 -3.124 322 1HG1 VAL 40 1HG1 VAL 40 0.321 -5.545 -1.885 323 2HG1 VAL 40 2HG1 VAL 40 -1.239 -6.128 -1.307 324 3HG1 VAL 40 3HG1 VAL 40 -0.673 -6.574 -2.917 325 1HG2 VAL 40 1HG2 VAL 40 -0.802 -2.702 -1.819 326 2HG2 VAL 40 2HG2 VAL 40 -2.520 -3.078 -1.692 327 3HG2 VAL 40 3HG2 VAL 40 -1.352 -3.946 -0.697 328 H ARG 41 H ARG 41 0.686 -6.183 -4.138 329 HA ARG 41 HA ARG 41 3.090 -5.617 -2.728 330 1HB ARG 41 1HB ARG 41 2.438 -7.911 -3.243 331 2HB ARG 41 2HB ARG 41 2.569 -7.591 -4.973 332 1HG ARG 41 1HG ARG 41 5.023 -6.792 -3.751 333 2HG ARG 41 2HG ARG 41 4.631 -8.411 -3.170 334 1HD ARG 41 1HD ARG 41 4.551 -7.633 -6.095 335 2HD ARG 41 2HD ARG 41 5.961 -8.358 -5.324 336 HE ARG 41 HE ARG 41 3.524 -9.902 -4.904 337 1HH1 ARG 41 1HH1 ARG 41 6.620 -10.417 -5.613 338 2HH1 ARG 41 2HH1 ARG 41 6.389 -11.420 -7.006 339 1HH2 ARG 41 1HH2 ARG 41 3.015 -10.680 -7.308 340 2HH2 ARG 41 2HH2 ARG 41 4.349 -11.568 -7.966 341 H GLU 42 H GLU 42 2.350 -5.419 -6.216 342 HA GLU 42 HA GLU 42 4.841 -4.750 -7.247 343 1HB GLU 42 1HB GLU 42 2.281 -4.684 -8.223 344 2HB GLU 42 2HB GLU 42 2.685 -2.967 -8.188 345 1HG GLU 42 1HG GLU 42 4.925 -3.720 -9.297 346 2HG GLU 42 2HG GLU 42 4.037 -5.190 -9.701 347 H ILE 43 H ILE 43 2.499 -2.455 -5.808 348 HA ILE 43 HA ILE 43 4.118 -0.140 -5.995 349 HB ILE 43 HB ILE 43 2.063 -0.932 -3.911 350 1HG1 ILE 43 1HG1 ILE 43 1.813 1.073 -6.159 351 2HG1 ILE 43 2HG1 ILE 43 1.441 -0.635 -6.396 352 1HG2 ILE 43 1HG2 ILE 43 3.954 1.195 -3.846 353 2HG2 ILE 43 2HG2 ILE 43 2.382 1.904 -4.215 354 3HG2 ILE 43 3HG2 ILE 43 2.589 0.928 -2.761 355 1HD1 ILE 43 1HD1 ILE 43 0.203 1.052 -4.206 356 2HD1 ILE 43 2HD1 ILE 43 -0.553 0.793 -5.778 357 3HD1 ILE 43 3HD1 ILE 43 -0.271 -0.574 -4.699 358 H ALA 44 H ALA 44 3.915 -2.581 -3.399 359 HA ALA 44 HA ALA 44 5.763 -1.369 -1.615 360 1HB ALA 44 1HB ALA 44 4.372 -3.831 -1.791 361 2HB ALA 44 2HB ALA 44 6.078 -4.234 -1.600 362 3HB ALA 44 3HB ALA 44 5.276 -3.208 -0.411 363 H GLU 45 H GLU 45 6.257 -3.172 -4.575 364 HA GLU 45 HA GLU 45 9.066 -3.718 -4.152 365 1HB GLU 45 1HB GLU 45 7.107 -4.274 -6.147 366 2HB GLU 45 2HB GLU 45 8.460 -3.470 -6.943 367 1HG GLU 45 1HG GLU 45 9.950 -5.101 -5.573 368 2HG GLU 45 2HG GLU 45 8.466 -6.030 -5.355 369 H LEU 46 H LEU 46 7.256 -1.103 -5.741 370 HA LEU 46 HA LEU 46 9.524 0.268 -6.816 371 1HB LEU 46 1HB LEU 46 6.689 0.930 -6.227 372 2HB LEU 46 2HB LEU 46 7.796 2.300 -6.337 373 HG LEU 46 HG LEU 46 8.044 0.216 -8.446 374 1HD1 LEU 46 1HD1 LEU 46 5.570 0.528 -8.142 375 2HD1 LEU 46 2HD1 LEU 46 5.794 2.249 -8.457 376 3HD1 LEU 46 3HD1 LEU 46 6.156 1.068 -9.715 377 1HD2 LEU 46 1HD2 LEU 46 8.957 2.833 -7.955 378 2HD2 LEU 46 2HD2 LEU 46 9.171 1.902 -9.437 379 3HD2 LEU 46 3HD2 LEU 46 7.791 2.987 -9.269 380 H LYS 47 H LYS 47 7.963 0.377 -3.636 381 HA LYS 47 HA LYS 47 9.985 2.372 -2.741 382 1HB LYS 47 1HB LYS 47 7.371 1.394 -1.584 383 2HB LYS 47 2HB LYS 47 8.523 2.310 -0.613 384 1HG LYS 47 1HG LYS 47 8.076 4.261 -1.695 385 2HG LYS 47 2HG LYS 47 7.967 3.472 -3.269 386 1HD LYS 47 1HD LYS 47 5.749 4.073 -2.955 387 2HD LYS 47 2HD LYS 47 5.743 2.460 -2.240 388 1HE LYS 47 1HE LYS 47 6.557 4.068 -0.136 389 2HE LYS 47 2HE LYS 47 5.357 5.066 -0.957 390 1HZ LYS 47 1HZ LYS 47 4.595 2.303 -0.694 391 2HZ LYS 47 2HZ LYS 47 4.796 3.094 0.796 392 3HZ LYS 47 3HZ LYS 47 3.709 3.711 -0.351 393 H MET 48 H MET 48 10.204 -0.711 -3.199 394 HA MET 48 HA MET 48 10.588 -2.021 -0.728 395 1HB MET 48 1HB MET 48 11.045 -2.616 -3.426 396 2HB MET 48 2HB MET 48 12.628 -2.764 -2.662 397 1HG MET 48 1HG MET 48 11.349 -4.097 -0.820 398 2HG MET 48 2HG MET 48 10.089 -4.260 -2.044 399 1HE MET 48 1HE MET 48 13.351 -5.094 -0.662 400 2HE MET 48 2HE MET 48 12.357 -6.554 -0.562 401 3HE MET 48 3HE MET 48 13.849 -6.562 -1.499 402 HA PRO 49 HA PRO 49 15.094 -0.435 -0.729 403 1HB PRO 49 1HB PRO 49 15.791 1.410 -2.646 404 2HB PRO 49 2HB PRO 49 15.955 -0.341 -2.864 405 1HG PRO 49 1HG PRO 49 13.939 1.514 -4.037 406 2HG PRO 49 2HG PRO 49 14.531 -0.036 -4.656 407 1HD PRO 49 1HD PRO 49 12.065 0.393 -3.335 408 2HD PRO 49 2HD PRO 49 12.808 -1.184 -3.674 409 H ASP 50 H ASP 50 12.306 1.426 -0.955 410 HA ASP 50 HA ASP 50 13.604 3.809 0.286 411 1HB ASP 50 1HB ASP 50 10.794 3.515 -0.822 412 2HB ASP 50 2HB ASP 50 11.542 5.009 -0.254 413 H LEU 51 H LEU 51 11.823 1.019 1.029 414 HA LEU 51 HA LEU 51 10.660 2.233 3.484 415 1HB LEU 51 1HB LEU 51 10.317 -0.573 2.383 416 2HB LEU 51 2HB LEU 51 9.394 0.161 3.695 417 HG LEU 51 HG LEU 51 9.444 1.670 1.139 418 1HD1 LEU 51 1HD1 LEU 51 9.194 -0.827 0.564 419 2HD1 LEU 51 2HD1 LEU 51 7.650 -0.747 1.413 420 3HD1 LEU 51 3HD1 LEU 51 7.925 0.253 -0.014 421 1HD2 LEU 51 1HD2 LEU 51 7.474 0.998 3.327 422 2HD2 LEU 51 2HD2 LEU 51 8.095 2.580 2.857 423 3HD2 LEU 51 3HD2 LEU 51 6.941 1.742 1.819 424 H ASN 52 H ASN 52 13.425 0.590 2.454 425 HA ASN 52 HA ASN 52 15.257 -0.183 3.715 426 1HB ASN 52 1HB ASN 52 13.964 1.496 5.469 427 2HB ASN 52 2HB ASN 52 13.933 -0.036 6.343 428 1HD2 ASN 52 1HD2 ASN 52 17.189 0.959 7.418 429 2HD2 ASN 52 2HD2 ASN 52 15.558 0.847 7.876 430 H ALA 53 H ALA 53 13.154 -1.904 2.700 431 HA ALA 53 HA ALA 53 12.899 -3.983 4.809 432 1HB ALA 53 1HB ALA 53 11.472 -3.341 2.278 433 2HB ALA 53 2HB ALA 53 11.605 -5.050 2.695 434 3HB ALA 53 3HB ALA 53 10.831 -3.926 3.813 435 H ALA 54 H ALA 54 13.697 -6.121 4.450 436 HA ALA 54 HA ALA 54 16.106 -6.213 2.777 437 1HB ALA 54 1HB ALA 54 14.950 -7.786 4.980 438 2HB ALA 54 2HB ALA 54 15.753 -8.764 3.751 439 3HB ALA 54 3HB ALA 54 16.641 -7.486 4.580 440 H SER 55 H SER 55 12.824 -7.469 2.695 441 HA SER 55 HA SER 55 13.209 -8.233 -0.116 442 1HB SER 55 1HB SER 55 12.107 -10.542 0.504 443 2HB SER 55 2HB SER 55 13.849 -10.336 0.662 444 HG SER 55 HG SER 55 12.275 -11.110 2.522 445 H ILE 56 H ILE 56 10.946 -9.359 -0.806 446 HA ILE 56 HA ILE 56 8.942 -7.363 -0.483 447 HB ILE 56 HB ILE 56 8.372 -10.251 -1.168 448 1HG1 ILE 56 1HG1 ILE 56 10.281 -9.687 -2.516 449 2HG1 ILE 56 2HG1 ILE 56 8.866 -9.494 -3.551 450 1HG2 ILE 56 1HG2 ILE 56 6.885 -7.797 -1.174 451 2HG2 ILE 56 2HG2 ILE 56 7.075 -8.346 -2.839 452 3HG2 ILE 56 3HG2 ILE 56 6.340 -9.409 -1.638 453 1HD1 ILE 56 1HD1 ILE 56 8.852 -7.052 -2.979 454 2HD1 ILE 56 2HD1 ILE 56 10.365 -7.292 -2.106 455 3HD1 ILE 56 3HD1 ILE 56 10.301 -7.558 -3.848 456 H GLU 57 H GLU 57 9.257 -10.580 1.048 457 HA GLU 57 HA GLU 57 6.946 -10.679 2.569 458 1HB GLU 57 1HB GLU 57 9.778 -11.411 3.359 459 2HB GLU 57 2HB GLU 57 8.374 -11.800 4.354 460 1HG GLU 57 1HG GLU 57 7.415 -12.830 2.148 461 2HG GLU 57 2HG GLU 57 9.100 -12.842 1.627 462 H ALA 58 H ALA 58 9.674 -8.522 2.968 463 HA ALA 58 HA ALA 58 8.655 -7.527 5.557 464 1HB ALA 58 1HB ALA 58 11.190 -7.598 4.302 465 2HB ALA 58 2HB ALA 58 10.744 -5.896 4.414 466 3HB ALA 58 3HB ALA 58 10.793 -6.892 5.869 467 H ALA 59 H ALA 59 8.884 -6.522 2.170 468 HA ALA 59 HA ALA 59 7.818 -3.856 2.702 469 1HB ALA 59 1HB ALA 59 8.183 -5.423 0.132 470 2HB ALA 59 2HB ALA 59 7.635 -3.748 0.199 471 3HB ALA 59 3HB ALA 59 9.251 -4.171 0.766 472 H MET 60 H MET 60 6.478 -6.492 0.676 473 HA MET 60 HA MET 60 3.862 -5.608 0.483 474 1HB MET 60 1HB MET 60 5.140 -7.948 -0.146 475 2HB MET 60 2HB MET 60 4.050 -8.483 1.134 476 1HG MET 60 1HG MET 60 2.656 -6.683 -0.637 477 2HG MET 60 2HG MET 60 3.396 -7.983 -1.572 478 1HE MET 60 1HE MET 60 3.273 -10.056 -1.426 479 2HE MET 60 2HE MET 60 2.715 -11.024 -0.065 480 3HE MET 60 3HE MET 60 1.649 -10.756 -1.442 481 H ARG 61 H ARG 61 5.464 -6.889 3.318 482 HA ARG 61 HA ARG 61 3.169 -7.531 4.879 483 1HB ARG 61 1HB ARG 61 5.902 -7.573 5.286 484 2HB ARG 61 2HB ARG 61 5.368 -6.301 6.385 485 1HG ARG 61 1HG ARG 61 3.526 -7.977 7.104 486 2HG ARG 61 2HG ARG 61 4.532 -9.197 6.322 487 1HD ARG 61 1HD ARG 61 5.741 -9.304 8.220 488 2HD ARG 61 2HD ARG 61 6.308 -7.670 7.875 489 HE ARG 61 HE ARG 61 4.158 -6.952 9.153 490 1HH1 ARG 61 1HH1 ARG 61 6.728 -8.598 10.348 491 2HH1 ARG 61 2HH1 ARG 61 5.919 -9.302 11.708 492 1HH2 ARG 61 1HH2 ARG 61 2.750 -8.402 10.626 493 2HH2 ARG 61 2HH2 ARG 61 3.667 -9.191 11.865 494 H MET 62 H MET 62 5.061 -4.509 4.757 495 HA MET 62 HA MET 62 3.283 -3.036 6.462 496 1HB MET 62 1HB MET 62 5.090 -1.945 4.282 497 2HB MET 62 2HB MET 62 4.458 -1.056 5.668 498 1HG MET 62 1HG MET 62 5.684 -2.555 7.195 499 2HG MET 62 2HG MET 62 6.318 -3.448 5.812 500 1HE MET 62 1HE MET 62 8.404 -3.422 5.879 501 2HE MET 62 2HE MET 62 8.606 -2.502 4.382 502 3HE MET 62 3HE MET 62 9.572 -2.106 5.800 503 H ILE 63 H ILE 63 3.142 -3.944 3.122 504 HA ILE 63 HA ILE 63 1.226 -1.874 2.352 505 HB ILE 63 HB ILE 63 1.962 -4.480 0.984 506 1HG1 ILE 63 1HG1 ILE 63 3.934 -3.127 1.143 507 2HG1 ILE 63 2HG1 ILE 63 3.295 -2.868 -0.481 508 1HG2 ILE 63 1HG2 ILE 63 -0.218 -2.918 0.484 509 2HG2 ILE 63 2HG2 ILE 63 0.984 -2.150 -0.553 510 3HG2 ILE 63 3HG2 ILE 63 0.616 -3.863 -0.750 511 1HD1 ILE 63 1HD1 ILE 63 2.044 -0.854 0.507 512 2HD1 ILE 63 2HD1 ILE 63 3.090 -1.038 1.915 513 3HD1 ILE 63 3HD1 ILE 63 3.792 -0.690 0.334 514 H GLU 64 H GLU 64 1.086 -5.116 3.676 515 HA GLU 64 HA GLU 64 -1.774 -5.415 3.099 516 1HB GLU 64 1HB GLU 64 0.213 -7.216 3.608 517 2HB GLU 64 2HB GLU 64 -0.549 -7.109 5.196 518 1HG GLU 64 1HG GLU 64 -2.774 -7.294 3.734 519 2HG GLU 64 2HG GLU 64 -1.677 -8.104 2.615 520 H GLY 65 H GLY 65 0.247 -4.701 5.945 521 1HA GLY 65 1HA GLY 65 -2.064 -4.413 7.700 522 2HA GLY 65 2HA GLY 65 -0.400 -3.983 8.102 523 H THR 66 H THR 66 -0.157 -2.314 5.641 524 HA THR 66 HA THR 66 -1.347 0.126 6.782 525 HB THR 66 HB THR 66 0.368 -0.213 4.302 526 HG1 THR 66 HG1 THR 66 1.830 0.831 6.061 527 1HG2 THR 66 1HG2 THR 66 -0.885 2.075 5.688 528 2HG2 THR 66 2HG2 THR 66 0.820 2.291 5.289 529 3HG2 THR 66 3HG2 THR 66 -0.345 1.928 4.015 530 H ALA 67 H ALA 67 -1.796 -2.018 4.034 531 HA ALA 67 HA ALA 67 -3.756 -0.182 2.800 532 1HB ALA 67 1HB ALA 67 -2.108 -1.665 1.493 533 2HB ALA 67 2HB ALA 67 -3.147 -3.017 1.942 534 3HB ALA 67 3HB ALA 67 -3.790 -1.697 0.964 535 H ARG 68 H ARG 68 -3.996 -1.802 5.475 536 HA ARG 68 HA ARG 68 -6.734 -2.843 4.870 537 1HB ARG 68 1HB ARG 68 -5.012 -4.649 5.353 538 2HB ARG 68 2HB ARG 68 -4.878 -3.975 6.978 539 1HG ARG 68 1HG ARG 68 -7.105 -4.526 7.523 540 2HG ARG 68 2HG ARG 68 -7.566 -4.717 5.831 541 1HD ARG 68 1HD ARG 68 -7.136 -6.918 5.998 542 2HD ARG 68 2HD ARG 68 -5.441 -6.534 6.296 543 HE ARG 68 HE ARG 68 -6.501 -6.199 8.778 544 1HH1 ARG 68 1HH1 ARG 68 -8.718 -7.751 8.914 545 2HH1 ARG 68 2HH1 ARG 68 -8.209 -9.406 8.942 546 1HH2 ARG 68 1HH2 ARG 68 -5.035 -8.726 7.721 547 2HH2 ARG 68 2HH2 ARG 68 -6.123 -9.958 8.267 548 H SER 69 H SER 69 -4.565 -1.419 7.300 549 HA SER 69 HA SER 69 -6.546 -0.987 9.313 550 1HB SER 69 1HB SER 69 -3.874 0.213 8.678 551 2HB SER 69 2HB SER 69 -4.899 1.012 9.867 552 HG SER 69 HG SER 69 -3.902 -0.440 11.087 553 H MET 70 H MET 70 -6.143 0.448 6.243 554 HA MET 70 HA MET 70 -7.516 2.953 7.021 555 1HB MET 70 1HB MET 70 -6.216 1.937 4.502 556 2HB MET 70 2HB MET 70 -7.329 3.304 4.435 557 1HG MET 70 1HG MET 70 -5.902 4.260 6.396 558 2HG MET 70 2HG MET 70 -4.689 3.094 5.867 559 1HE MET 70 1HE MET 70 -5.241 2.841 2.850 560 2HE MET 70 2HE MET 70 -4.092 4.003 2.173 561 3HE MET 70 3HE MET 70 -3.628 2.994 3.541 562 H GLY 71 H GLY 71 -8.209 -0.154 5.619 563 1HA GLY 71 1HA GLY 71 -10.695 -0.707 5.852 564 2HA GLY 71 2HA GLY 71 -10.971 0.792 4.962 565 H ILE 72 H ILE 72 -8.296 -0.130 3.519 566 HA ILE 72 HA ILE 72 -9.717 -1.345 1.266 567 HB ILE 72 HB ILE 72 -6.736 -0.908 1.589 568 1HG1 ILE 72 1HG1 ILE 72 -8.059 1.065 -0.042 569 2HG1 ILE 72 2HG1 ILE 72 -8.810 1.031 1.554 570 1HG2 ILE 72 1HG2 ILE 72 -7.877 -2.356 -0.301 571 2HG2 ILE 72 2HG2 ILE 72 -8.281 -0.779 -0.979 572 3HG2 ILE 72 3HG2 ILE 72 -6.594 -1.218 -0.712 573 1HD1 ILE 72 1HD1 ILE 72 -6.304 0.964 2.390 574 2HD1 ILE 72 2HD1 ILE 72 -5.976 1.667 0.807 575 3HD1 ILE 72 3HD1 ILE 72 -7.046 2.499 1.936 576 H VAL 73 H VAL 73 -9.326 -3.462 0.447 577 HA VAL 73 HA VAL 73 -8.092 -5.311 2.444 578 HB VAL 73 HB VAL 73 -10.605 -5.489 1.746 579 1HG1 VAL 73 1HG1 VAL 73 -9.484 -5.626 -0.779 580 2HG1 VAL 73 2HG1 VAL 73 -9.822 -7.316 -0.403 581 3HG1 VAL 73 3HG1 VAL 73 -11.121 -6.125 -0.355 582 1HG2 VAL 73 1HG2 VAL 73 -8.805 -7.254 2.778 583 2HG2 VAL 73 2HG2 VAL 73 -10.511 -7.630 2.529 584 3HG2 VAL 73 3HG2 VAL 73 -9.316 -8.120 1.328 585 H VAL 74 H VAL 74 -7.480 -7.494 1.043 586 HA VAL 74 HA VAL 74 -6.074 -6.647 -1.426 587 HB VAL 74 HB VAL 74 -4.700 -6.640 0.915 588 1HG1 VAL 74 1HG1 VAL 74 -4.312 -9.414 -0.249 589 2HG1 VAL 74 2HG1 VAL 74 -3.337 -8.694 1.032 590 3HG1 VAL 74 3HG1 VAL 74 -5.041 -9.047 1.314 591 1HG2 VAL 74 1HG2 VAL 74 -3.807 -7.359 -1.879 592 2HG2 VAL 74 2HG2 VAL 74 -3.734 -5.788 -1.079 593 3HG2 VAL 74 3HG2 VAL 74 -2.657 -7.088 -0.569 594 H GLU 75 H GLU 75 -6.359 -8.173 -2.984 595 HA GLU 75 HA GLU 75 -7.485 -10.793 -2.174 596 1HB GLU 75 1HB GLU 75 -7.376 -9.222 -4.729 597 2HB GLU 75 2HB GLU 75 -7.620 -10.967 -4.804 598 1HG GLU 75 1HG GLU 75 -9.306 -9.861 -2.750 599 2HG GLU 75 2HG GLU 75 -9.562 -8.976 -4.255 600 H ASP 76 H ASP 76 -5.673 -11.961 -1.464 601 HA ASP 76 HA ASP 76 -3.089 -12.037 -2.439 602 1HB ASP 76 1HB ASP 76 -4.181 -13.460 -0.573 603 2HB ASP 76 2HB ASP 76 -4.559 -14.608 -1.857 No H/Q in entry = 603
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