NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
5145 | 1ghj | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H ALA 1 3H ALA 1 -10.886 7.851 1.999 2 2H ALA 1 2H ALA 1 -11.617 9.341 1.637 3 3H ALA 1 1H ALA 1 -12.056 7.944 0.776 4 HA ALA 1 HA ALA 1 -10.390 8.154 -0.659 5 1HB ALA 1 2HB ALA 1 -10.467 10.786 0.779 6 2HB ALA 1 1HB ALA 1 -9.217 10.511 -0.434 7 3HB ALA 1 3HB ALA 1 -10.919 10.411 -0.884 8 H ILE 2 H ILE 2 -8.393 7.239 -0.776 9 HA ILE 2 HA ILE 2 -6.426 7.823 1.379 10 HB ILE 2 HB ILE 2 -6.779 4.997 0.408 11 1HG1 ILE 2 2HG1 ILE 2 -8.209 6.230 2.784 12 2HG1 ILE 2 1HG1 ILE 2 -8.991 5.822 1.256 13 1HG2 ILE 2 1HG2 ILE 2 -4.768 5.792 1.733 14 2HG2 ILE 2 3HG2 ILE 2 -5.869 6.107 3.075 15 3HG2 ILE 2 2HG2 ILE 2 -5.662 4.463 2.472 16 1HD1 ILE 2 1HD1 ILE 2 -7.398 3.750 2.751 17 2HD1 ILE 2 3HD1 ILE 2 -9.072 4.081 3.196 18 3HD1 ILE 2 2HD1 ILE 2 -8.687 3.514 1.571 19 H ASP 3 H ASP 3 -4.757 8.683 0.230 20 HA ASP 3 HA ASP 3 -4.283 8.085 -2.556 21 1HB ASP 3 2HB ASP 3 -3.623 10.225 -1.395 22 2HB ASP 3 1HB ASP 3 -2.346 9.319 -0.577 23 H ILE 4 H ILE 4 -2.942 6.553 -3.452 24 HA ILE 4 HA ILE 4 -1.425 4.823 -1.537 25 HB ILE 4 HB ILE 4 -2.542 4.048 -4.248 26 1HG1 ILE 4 2HG1 ILE 4 -3.586 3.291 -1.504 27 2HG1 ILE 4 1HG1 ILE 4 -4.274 4.594 -2.473 28 1HG2 ILE 4 3HG2 ILE 4 -1.365 2.427 -1.969 29 2HG2 ILE 4 2HG2 ILE 4 -2.053 1.755 -3.447 30 3HG2 ILE 4 1HG2 ILE 4 -0.590 2.737 -3.522 31 1HD1 ILE 4 3HD1 ILE 4 -4.628 2.946 -4.332 32 2HD1 ILE 4 2HD1 ILE 4 -4.094 1.668 -3.241 33 3HD1 ILE 4 1HD1 ILE 4 -5.562 2.578 -2.882 34 H LYS 5 H LYS 5 0.699 5.395 -1.687 35 HA LYS 5 HA LYS 5 1.857 5.634 -4.430 36 1HB LYS 5 2HB LYS 5 3.465 7.336 -3.253 37 2HB LYS 5 1HB LYS 5 1.871 7.885 -3.775 38 1HG LYS 5 2HG LYS 5 1.032 7.316 -1.448 39 2HG LYS 5 1HG LYS 5 2.717 7.081 -0.981 40 1HD LYS 5 2HD LYS 5 3.068 9.456 -2.027 41 2HD LYS 5 1HD LYS 5 1.324 9.613 -1.813 42 1HE LYS 5 2HE LYS 5 2.173 8.543 0.606 43 2HE LYS 5 1HE LYS 5 3.451 9.686 0.192 44 1HZ LYS 5 2HZ LYS 5 1.712 11.363 -0.203 45 2HZ LYS 5 1HZ LYS 5 0.542 10.258 0.341 46 3HZ LYS 5 3HZ LYS 5 1.739 10.815 1.405 47 H ALA 6 H ALA 6 4.333 5.380 -4.299 48 HA ALA 6 HA ALA 6 4.934 2.906 -2.955 49 1HB ALA 6 1HB ALA 6 6.051 4.280 -5.043 50 2HB ALA 6 3HB ALA 6 7.224 4.588 -3.762 51 3HB ALA 6 2HB ALA 6 6.830 2.930 -4.217 52 HA PRO 7 HA PRO 7 6.355 4.367 0.927 53 1HB PRO 7 2HB PRO 7 8.160 2.375 1.507 54 2HB PRO 7 1HB PRO 7 6.403 2.158 1.585 55 1HG PRO 7 2HG PRO 7 8.328 1.169 -0.468 56 2HG PRO 7 1HG PRO 7 6.758 0.502 0.012 57 1HD PRO 7 2HD PRO 7 7.265 2.046 -2.308 58 2HD PRO 7 1HD PRO 7 5.663 1.654 -1.640 59 H THR 8 H THR 8 8.308 5.199 2.037 60 HA THR 8 HA THR 8 10.155 6.477 0.201 61 HB THR 8 HB THR 8 10.185 6.287 3.230 62 HG1 THR 8 HG1 THR 8 9.441 8.518 2.892 63 1HG2 THR 8 2HG2 THR 8 12.265 7.030 1.569 64 2HG2 THR 8 1HG2 THR 8 11.487 8.571 1.932 65 3HG2 THR 8 3HG2 THR 8 12.065 7.545 3.244 66 H PHE 9 H PHE 9 11.839 5.403 -0.705 67 HA PHE 9 HA PHE 9 12.835 2.903 0.390 68 1HB PHE 9 2HB PHE 9 14.037 4.657 -1.775 69 2HB PHE 9 1HB PHE 9 14.414 2.957 -1.473 70 HD1 PHE 9 HD1 PHE 9 12.586 1.224 -1.735 71 HD2 PHE 9 HD2 PHE 9 12.134 5.286 -3.057 72 HE1 PHE 9 HE1 PHE 9 10.684 0.544 -3.173 73 HE2 PHE 9 HE2 PHE 9 10.232 4.606 -4.495 74 HZ PHE 9 HZ PHE 9 9.506 2.236 -4.553 75 HA PRO 10 HA PRO 10 15.950 4.551 3.009 76 1HB PRO 10 2HB PRO 10 17.560 2.325 3.122 77 2HB PRO 10 1HB PRO 10 16.018 2.463 3.984 78 1HG PRO 10 2HG PRO 10 16.661 0.895 1.530 79 2HG PRO 10 1HG PRO 10 15.412 0.604 2.752 80 1HD PRO 10 2HD PRO 10 14.997 1.749 0.196 81 2HD PRO 10 1HD PRO 10 13.838 1.754 1.545 82 H GLU 11 H GLU 11 18.684 3.829 2.923 83 HA GLU 11 HA GLU 11 19.573 5.423 0.632 84 1HB GLU 11 2HB GLU 11 20.528 5.110 3.171 85 2HB GLU 11 1HB GLU 11 21.602 4.033 2.277 86 1HG GLU 11 2HG GLU 11 22.151 5.851 0.715 87 2HG GLU 11 1HG GLU 11 21.054 6.933 1.574 88 H SER 12 H SER 12 20.362 2.137 1.833 89 HA SER 12 HA SER 12 21.932 1.178 -0.202 90 1HB SER 12 2HB SER 12 21.077 -0.134 1.785 91 2HB SER 12 1HB SER 12 19.576 -0.382 0.891 92 HG SER 12 HG SER 12 20.722 -2.076 0.253 93 H ILE 13 H ILE 13 18.373 1.420 -0.299 94 HA ILE 13 HA ILE 13 18.475 0.772 -3.205 95 HB ILE 13 HB ILE 13 16.039 1.065 -1.424 96 1HG1 ILE 13 2HG1 ILE 13 17.408 -1.497 -2.293 97 2HG1 ILE 13 1HG1 ILE 13 17.666 -0.753 -0.715 98 1HG2 ILE 13 1HG2 ILE 13 16.544 0.398 -4.266 99 2HG2 ILE 13 3HG2 ILE 13 15.397 -0.655 -3.437 100 3HG2 ILE 13 2HG2 ILE 13 15.106 1.083 -3.508 101 1HD1 ILE 13 1HD1 ILE 13 15.087 -0.782 -0.501 102 2HD1 ILE 13 3HD1 ILE 13 15.127 -1.929 -1.840 103 3HD1 ILE 13 2HD1 ILE 13 15.938 -2.316 -0.323 104 H ALA 14 H ALA 14 17.557 2.225 -4.734 105 HA ALA 14 HA ALA 14 16.985 4.964 -3.675 106 1HB ALA 14 3HB ALA 14 19.244 4.529 -4.939 107 2HB ALA 14 2HB ALA 14 18.225 4.527 -6.379 108 3HB ALA 14 1HB ALA 14 18.290 5.955 -5.346 109 H ASP 15 H ASP 15 15.479 2.428 -4.886 110 HA ASP 15 HA ASP 15 13.262 3.902 -5.934 111 1HB ASP 15 2HB ASP 15 13.541 2.792 -8.313 112 2HB ASP 15 1HB ASP 15 14.334 4.327 -7.958 113 H GLY 16 H GLY 16 11.978 2.067 -7.476 114 1HA GLY 16 2HA GLY 16 12.310 -0.621 -6.329 115 2HA GLY 16 1HA GLY 16 10.831 0.215 -5.852 116 H THR 17 H THR 17 9.975 -1.792 -7.085 117 HA THR 17 HA THR 17 9.295 -0.894 -9.816 118 HB THR 17 HB THR 17 10.546 -3.599 -9.245 119 HG1 THR 17 HG1 THR 17 12.286 -2.742 -10.034 120 1HG2 THR 17 3HG2 THR 17 8.645 -2.828 -11.207 121 2HG2 THR 17 2HG2 THR 17 10.197 -2.988 -12.028 122 3HG2 THR 17 1HG2 THR 17 9.542 -4.344 -11.110 123 H VAL 18 H VAL 18 7.136 -1.195 -10.076 124 HA VAL 18 HA VAL 18 5.402 -2.227 -8.151 125 HB VAL 18 HB VAL 18 4.964 -2.389 -11.148 126 1HG1 VAL 18 2HG1 VAL 18 3.321 -3.585 -9.682 127 2HG1 VAL 18 1HG1 VAL 18 3.000 -2.057 -8.861 128 3HG1 VAL 18 3HG1 VAL 18 2.605 -2.239 -10.570 129 1HG2 VAL 18 1HG2 VAL 18 5.614 -0.126 -9.712 130 2HG2 VAL 18 3HG2 VAL 18 4.677 -0.134 -11.205 131 3HG2 VAL 18 2HG2 VAL 18 3.852 -0.114 -9.646 132 H ALA 19 H ALA 19 4.153 -4.270 -8.139 133 HA ALA 19 HA ALA 19 5.881 -6.554 -8.970 134 1HB ALA 19 3HB ALA 19 5.320 -6.388 -6.557 135 2HB ALA 19 2HB ALA 19 3.607 -6.475 -6.963 136 3HB ALA 19 1HB ALA 19 4.660 -7.853 -7.282 137 H THR 20 H THR 20 2.366 -6.323 -8.389 138 HA THR 20 HA THR 20 1.759 -6.849 -11.202 139 HB THR 20 HB THR 20 1.431 -8.998 -9.096 140 HG1 THR 20 HG1 THR 20 3.047 -9.787 -10.142 141 1HG2 THR 20 1HG2 THR 20 0.054 -8.636 -11.759 142 2HG2 THR 20 3HG2 THR 20 0.231 -10.219 -11.002 143 3HG2 THR 20 2HG2 THR 20 -0.681 -8.948 -10.187 144 H TRP 21 H TRP 21 -0.252 -6.013 -11.629 145 HA TRP 21 HA TRP 21 -1.832 -5.020 -9.355 146 1HB TRP 21 2HB TRP 21 -1.682 -4.514 -12.292 147 2HB TRP 21 1HB TRP 21 -3.221 -4.218 -11.489 148 HD1 TRP 21 HD1 TRP 21 0.227 -2.812 -11.916 149 HE1 TRP 21 HE1 TRP 21 0.447 -0.629 -10.550 150 HE3 TRP 21 HE3 TRP 21 -4.082 -3.020 -9.185 151 HZ2 TRP 21 HZ2 TRP 21 -0.984 0.818 -8.593 152 HZ3 TRP 21 HZ3 TRP 21 -4.630 -1.216 -7.570 153 HH2 TRP 21 HH2 TRP 21 -3.087 0.704 -7.269 154 H HIS 22 H HIS 22 -2.533 -7.181 -8.642 155 HA HIS 22 HA HIS 22 -3.807 -9.179 -10.056 156 1HB HIS 22 2HB HIS 22 -5.259 -8.233 -7.619 157 2HB HIS 22 1HB HIS 22 -4.763 -9.869 -8.067 158 HD1 HIS 22 HD1 HIS 22 -3.258 -6.602 -6.850 159 HD2 HIS 22 HD2 HIS 22 -2.336 -10.664 -6.952 160 HE1 HIS 22 HE1 HIS 22 -1.106 -6.877 -5.561 161 H LYS 23 H LYS 23 -5.607 -6.396 -8.681 162 HA LYS 23 HA LYS 23 -7.699 -6.878 -10.748 163 1HB LYS 23 2HB LYS 23 -7.691 -5.545 -8.052 164 2HB LYS 23 1HB LYS 23 -8.937 -5.136 -9.231 165 1HG LYS 23 2HG LYS 23 -9.657 -7.435 -9.374 166 2HG LYS 23 1HG LYS 23 -8.290 -7.976 -8.399 167 1HD LYS 23 2HD LYS 23 -9.155 -6.612 -6.497 168 2HD LYS 23 1HD LYS 23 -10.566 -6.199 -7.473 169 1HE LYS 23 2HE LYS 23 -9.775 -9.068 -6.955 170 2HE LYS 23 1HE LYS 23 -10.825 -8.179 -5.852 171 1HZ LYS 23 2HZ LYS 23 -12.085 -7.619 -8.042 172 2HZ LYS 23 1HZ LYS 23 -11.323 -9.024 -8.618 173 3HZ LYS 23 3HZ LYS 23 -12.343 -9.108 -7.266 174 H LYS 24 H LYS 24 -8.841 -4.471 -11.083 175 HA LYS 24 HA LYS 24 -6.616 -2.635 -11.877 176 1HB LYS 24 2HB LYS 24 -8.659 -3.930 -13.535 177 2HB LYS 24 1HB LYS 24 -8.625 -2.178 -13.730 178 1HG LYS 24 2HG LYS 24 -6.198 -2.264 -14.156 179 2HG LYS 24 1HG LYS 24 -6.224 -4.017 -13.955 180 1HD LYS 24 2HD LYS 24 -8.217 -3.644 -15.804 181 2HD LYS 24 1HD LYS 24 -7.073 -2.379 -16.253 182 1HE LYS 24 2HE LYS 24 -5.686 -3.898 -17.163 183 2HE LYS 24 1HE LYS 24 -5.636 -4.803 -15.650 184 1HZ LYS 24 1HZ LYS 24 -7.984 -5.014 -17.412 185 2HZ LYS 24 3HZ LYS 24 -6.587 -5.911 -17.762 186 3HZ LYS 24 2HZ LYS 24 -7.386 -6.131 -16.279 187 HA PRO 25 HA PRO 25 -8.991 0.603 -10.127 188 1HB PRO 25 2HB PRO 25 -8.558 2.641 -11.923 189 2HB PRO 25 1HB PRO 25 -7.330 2.061 -10.783 190 1HG PRO 25 2HG PRO 25 -7.540 1.583 -13.723 191 2HG PRO 25 1HG PRO 25 -6.100 1.620 -12.693 192 1HD PRO 25 2HD PRO 25 -7.373 -0.712 -13.644 193 2HD PRO 25 1HD PRO 25 -6.186 -0.644 -12.324 194 H GLY 26 H GLY 26 -11.204 0.727 -10.115 195 1HA GLY 26 2HA GLY 26 -13.144 1.832 -11.302 196 2HA GLY 26 1HA GLY 26 -12.603 0.976 -12.751 197 H GLU 27 H GLU 27 -12.191 -0.868 -9.928 198 HA GLU 27 HA GLU 27 -14.726 -2.346 -10.520 199 1HB GLU 27 2HB GLU 27 -12.108 -3.462 -9.466 200 2HB GLU 27 1HB GLU 27 -13.557 -4.393 -9.847 201 1HG GLU 27 2HG GLU 27 -12.810 -2.722 -12.092 202 2HG GLU 27 1HG GLU 27 -11.459 -3.746 -11.607 203 H ALA 28 H ALA 28 -15.306 -3.783 -8.493 204 HA ALA 28 HA ALA 28 -15.515 -1.921 -6.222 205 1HB ALA 28 1HB ALA 28 -17.428 -3.375 -7.079 206 2HB ALA 28 3HB ALA 28 -16.573 -4.753 -6.385 207 3HB ALA 28 2HB ALA 28 -17.138 -3.448 -5.341 208 H VAL 29 H VAL 29 -14.373 -2.114 -4.326 209 HA VAL 29 HA VAL 29 -12.508 -4.444 -4.122 210 HB VAL 29 HB VAL 29 -12.121 -1.855 -2.638 211 1HG1 VAL 29 3HG1 VAL 29 -10.582 -4.288 -3.315 212 2HG1 VAL 29 2HG1 VAL 29 -9.686 -2.776 -3.463 213 3HG1 VAL 29 1HG1 VAL 29 -10.433 -3.211 -1.926 214 1HG2 VAL 29 2HG2 VAL 29 -11.716 -2.404 -5.561 215 2HG2 VAL 29 1HG2 VAL 29 -12.249 -0.922 -4.769 216 3HG2 VAL 29 3HG2 VAL 29 -10.549 -1.387 -4.716 217 H LYS 30 H LYS 30 -11.960 -4.984 -1.770 218 HA LYS 30 HA LYS 30 -14.240 -4.441 0.067 219 1HB LYS 30 2HB LYS 30 -13.991 -6.838 -1.313 220 2HB LYS 30 1HB LYS 30 -13.252 -7.192 0.249 221 1HG LYS 30 2HG LYS 30 -15.235 -6.466 1.427 222 2HG LYS 30 1HG LYS 30 -15.962 -5.876 -0.067 223 1HD LYS 30 2HD LYS 30 -16.027 -8.160 -0.964 224 2HD LYS 30 1HD LYS 30 -15.253 -8.769 0.500 225 1HE LYS 30 2HE LYS 30 -17.157 -8.546 1.766 226 2HE LYS 30 1HE LYS 30 -17.717 -7.138 0.865 227 1HZ LYS 30 1HZ LYS 30 -18.039 -8.784 -1.040 228 2HZ LYS 30 3HZ LYS 30 -17.933 -9.992 0.145 229 3HZ LYS 30 2HZ LYS 30 -19.161 -8.822 0.235 230 H ARG 31 H ARG 31 -13.472 -3.872 2.046 231 HA ARG 31 HA ARG 31 -10.854 -3.436 2.744 232 1HB ARG 31 2HB ARG 31 -12.890 -2.877 4.132 233 2HB ARG 31 1HB ARG 31 -12.882 -4.547 4.700 234 1HG ARG 31 2HG ARG 31 -10.234 -3.388 4.908 235 2HG ARG 31 1HG ARG 31 -11.415 -2.401 5.770 236 1HD ARG 31 2HD ARG 31 -11.997 -5.154 6.294 237 2HD ARG 31 1HD ARG 31 -10.278 -4.887 6.586 238 HE ARG 31 HE ARG 31 -11.152 -2.862 8.000 239 1HH1 ARG 31 2HH1 ARG 31 -13.775 -4.683 7.223 240 2HH1 ARG 31 1HH1 ARG 31 -14.188 -5.158 8.837 241 1HH2 ARG 31 1HH2 ARG 31 -11.234 -3.983 10.221 242 2HH2 ARG 31 2HH2 ARG 31 -12.749 -4.762 10.534 243 H ASP 32 H ASP 32 -9.135 -4.650 3.574 244 HA ASP 32 HA ASP 32 -7.892 -6.569 4.122 245 1HB ASP 32 2HB ASP 32 -9.997 -7.010 5.562 246 2HB ASP 32 1HB ASP 32 -10.485 -8.107 4.270 247 H GLU 33 H GLU 33 -8.484 -5.865 1.394 248 HA GLU 33 HA GLU 33 -8.306 -8.583 0.173 249 1HB GLU 33 2HB GLU 33 -10.573 -7.516 -0.201 250 2HB GLU 33 1HB GLU 33 -9.749 -6.241 -1.099 251 1HG GLU 33 2HG GLU 33 -9.219 -7.630 -2.861 252 2HG GLU 33 1HG GLU 33 -9.132 -9.066 -1.841 253 H LEU 34 H LEU 34 -6.257 -8.690 -0.611 254 HA LEU 34 HA LEU 34 -4.393 -6.717 -0.985 255 1HB LEU 34 2HB LEU 34 -3.936 -9.119 -1.360 256 2HB LEU 34 1HB LEU 34 -4.832 -9.046 -2.877 257 HG LEU 34 HG LEU 34 -3.248 -7.309 -3.696 258 1HD1 LEU 34 1HD1 LEU 34 -2.569 -7.156 -0.972 259 2HD1 LEU 34 3HD1 LEU 34 -1.155 -7.854 -1.762 260 3HD1 LEU 34 2HD1 LEU 34 -1.791 -6.300 -2.303 261 1HD2 LEU 34 2HD2 LEU 34 -2.209 -9.998 -2.796 262 2HD2 LEU 34 1HD2 LEU 34 -2.722 -9.507 -4.410 263 3HD2 LEU 34 3HD2 LEU 34 -1.207 -8.899 -3.743 264 H ILE 35 H ILE 35 -3.652 -5.530 -2.920 265 HA ILE 35 HA ILE 35 -5.744 -5.095 -4.988 266 HB ILE 35 HB ILE 35 -4.494 -2.950 -3.252 267 1HG1 ILE 35 2HG1 ILE 35 -7.323 -3.891 -3.794 268 2HG1 ILE 35 1HG1 ILE 35 -6.467 -3.887 -2.251 269 1HG2 ILE 35 2HG2 ILE 35 -6.146 -2.663 -5.781 270 2HG2 ILE 35 1HG2 ILE 35 -5.656 -1.338 -4.726 271 3HG2 ILE 35 3HG2 ILE 35 -4.439 -2.254 -5.615 272 1HD1 ILE 35 2HD1 ILE 35 -7.227 -1.416 -3.839 273 2HD1 ILE 35 1HD1 ILE 35 -8.059 -1.998 -2.397 274 3HD1 ILE 35 3HD1 ILE 35 -6.394 -1.426 -2.284 275 H VAL 36 H VAL 36 -2.425 -4.414 -3.893 276 HA VAL 36 HA VAL 36 -1.426 -4.982 -6.589 277 HB VAL 36 HB VAL 36 -2.069 -2.598 -6.774 278 1HG1 VAL 36 1HG1 VAL 36 -0.129 -2.250 -4.467 279 2HG1 VAL 36 3HG1 VAL 36 -0.872 -0.935 -5.377 280 3HG1 VAL 36 2HG1 VAL 36 -1.874 -2.005 -4.396 281 1HG2 VAL 36 3HG2 VAL 36 0.008 -3.556 -7.885 282 2HG2 VAL 36 2HG2 VAL 36 0.034 -1.810 -7.640 283 3HG2 VAL 36 1HG2 VAL 36 0.942 -2.866 -6.558 284 H ASP 37 H ASP 37 0.621 -5.829 -6.434 285 HA ASP 37 HA ASP 37 1.851 -5.863 -3.734 286 1HB ASP 37 2HB ASP 37 2.083 -7.548 -6.202 287 2HB ASP 37 1HB ASP 37 3.436 -7.516 -5.070 288 H ILE 38 H ILE 38 4.178 -5.432 -3.526 289 HA ILE 38 HA ILE 38 5.193 -3.589 -5.655 290 HB ILE 38 HB ILE 38 5.518 -3.364 -2.647 291 1HG1 ILE 38 2HG1 ILE 38 4.144 -1.555 -4.662 292 2HG1 ILE 38 1HG1 ILE 38 3.310 -2.651 -3.560 293 1HG2 ILE 38 3HG2 ILE 38 6.867 -2.041 -4.969 294 2HG2 ILE 38 2HG2 ILE 38 6.512 -1.065 -3.543 295 3HG2 ILE 38 1HG2 ILE 38 7.531 -2.497 -3.400 296 1HD1 ILE 38 2HD1 ILE 38 5.220 -1.013 -2.120 297 2HD1 ILE 38 1HD1 ILE 38 4.092 -0.004 -3.025 298 3HD1 ILE 38 3HD1 ILE 38 3.483 -1.181 -1.862 299 H GLU 39 H GLU 39 7.475 -3.670 -6.028 300 HA GLU 39 HA GLU 39 8.817 -6.060 -4.825 301 1HB GLU 39 2HB GLU 39 8.251 -5.518 -7.542 302 2HB GLU 39 1HB GLU 39 9.985 -5.261 -7.343 303 1HG GLU 39 2HG GLU 39 9.973 -7.504 -6.056 304 2HG GLU 39 1HG GLU 39 8.385 -7.755 -6.781 305 H THR 40 H THR 40 10.890 -5.743 -4.032 306 HA THR 40 HA THR 40 12.051 -3.009 -4.392 307 HB THR 40 HB THR 40 12.782 -4.364 -1.896 308 HG1 THR 40 HG1 THR 40 10.559 -3.604 -1.118 309 1HG2 THR 40 2HG2 THR 40 12.568 -1.758 -2.959 310 2HG2 THR 40 1HG2 THR 40 11.407 -1.841 -1.634 311 3HG2 THR 40 3HG2 THR 40 13.107 -2.210 -1.341 312 H ASP 41 H ASP 41 14.496 -3.211 -3.447 313 HA ASP 41 HA ASP 41 16.067 -4.521 -5.275 314 1HB ASP 41 2HB ASP 41 16.830 -3.003 -3.371 315 2HB ASP 41 1HB ASP 41 16.819 -4.439 -2.346 316 H LYS 42 H LYS 42 14.993 -5.930 -2.167 317 HA LYS 42 HA LYS 42 14.983 -8.597 -3.419 318 1HB LYS 42 2HB LYS 42 16.837 -7.840 -1.149 319 2HB LYS 42 1HB LYS 42 16.384 -9.511 -1.490 320 1HG LYS 42 2HG LYS 42 17.123 -8.940 -3.936 321 2HG LYS 42 1HG LYS 42 18.000 -7.613 -3.172 322 1HD LYS 42 2HD LYS 42 19.126 -9.229 -1.674 323 2HD LYS 42 1HD LYS 42 18.270 -10.551 -2.468 324 1HE LYS 42 2HE LYS 42 19.547 -10.419 -4.373 325 2HE LYS 42 1HE LYS 42 19.765 -8.675 -4.231 326 1HZ LYS 42 1HZ LYS 42 20.976 -10.335 -2.163 327 2HZ LYS 42 3HZ LYS 42 21.690 -10.393 -3.700 328 3HZ LYS 42 2HZ LYS 42 21.548 -8.909 -2.886 329 H VAL 43 H VAL 43 13.059 -6.694 -2.148 330 HA VAL 43 HA VAL 43 11.971 -8.609 -0.137 331 HB VAL 43 HB VAL 43 11.842 -5.601 0.191 332 1HG1 VAL 43 2HG1 VAL 43 10.638 -7.895 1.496 333 2HG1 VAL 43 1HG1 VAL 43 11.614 -6.969 2.637 334 3HG1 VAL 43 3HG1 VAL 43 10.314 -6.179 1.744 335 1HG2 VAL 43 1HG2 VAL 43 13.994 -7.507 0.794 336 2HG2 VAL 43 3HG2 VAL 43 14.034 -5.745 0.761 337 3HG2 VAL 43 2HG2 VAL 43 13.467 -6.587 2.203 338 H VAL 44 H VAL 44 9.851 -9.079 -0.533 339 HA VAL 44 HA VAL 44 8.450 -7.419 -2.579 340 HB VAL 44 HB VAL 44 8.046 -10.279 -1.665 341 1HG1 VAL 44 2HG1 VAL 44 6.252 -8.389 -3.077 342 2HG1 VAL 44 1HG1 VAL 44 6.419 -9.978 -3.826 343 3HG1 VAL 44 3HG1 VAL 44 5.858 -9.843 -2.159 344 1HG2 VAL 44 1HG2 VAL 44 9.487 -8.957 -3.822 345 2HG2 VAL 44 3HG2 VAL 44 9.529 -10.649 -3.329 346 3HG2 VAL 44 2HG2 VAL 44 8.290 -10.089 -4.451 347 H MET 45 H MET 45 6.920 -6.059 -1.797 348 HA MET 45 HA MET 45 5.729 -6.665 0.870 349 1HB MET 45 2HB MET 45 6.042 -4.103 -0.707 350 2HB MET 45 1HB MET 45 4.990 -4.217 0.705 351 1HG MET 45 2HG MET 45 7.070 -5.212 1.902 352 2HG MET 45 1HG MET 45 7.985 -4.517 0.564 353 1HE MET 45 2HE MET 45 7.484 -4.301 3.752 354 2HE MET 45 1HE MET 45 8.838 -3.226 3.414 355 3HE MET 45 3HE MET 45 7.421 -2.624 4.286 356 H GLU 46 H GLU 46 3.366 -5.532 0.915 357 HA GLU 46 HA GLU 46 1.911 -6.251 -1.581 358 1HB GLU 46 2HB GLU 46 0.882 -7.108 1.124 359 2HB GLU 46 1HB GLU 46 0.377 -7.670 -0.470 360 1HG GLU 46 2HG GLU 46 2.447 -8.849 -0.800 361 2HG GLU 46 1HG GLU 46 3.159 -8.116 0.638 362 H VAL 47 H VAL 47 -0.028 -5.065 -1.865 363 HA VAL 47 HA VAL 47 -0.443 -2.873 0.131 364 HB VAL 47 HB VAL 47 -1.078 -2.748 -2.828 365 1HG1 VAL 47 2HG1 VAL 47 -2.276 -1.199 -1.256 366 2HG1 VAL 47 1HG1 VAL 47 -0.708 -0.568 -0.753 367 3HG1 VAL 47 3HG1 VAL 47 -1.249 -0.359 -2.418 368 1HG2 VAL 47 2HG2 VAL 47 1.474 -2.538 -1.423 369 2HG2 VAL 47 1HG2 VAL 47 1.156 -2.600 -3.156 370 3HG2 VAL 47 3HG2 VAL 47 1.080 -1.060 -2.300 371 H LEU 48 H LEU 48 -2.170 -3.682 1.303 372 HA LEU 48 HA LEU 48 -4.459 -4.862 -0.173 373 1HB LEU 48 2HB LEU 48 -3.282 -5.359 2.349 374 2HB LEU 48 1HB LEU 48 -4.868 -4.660 2.679 375 HG LEU 48 HG LEU 48 -5.399 -6.409 0.607 376 1HD1 LEU 48 1HD1 LEU 48 -3.015 -7.304 2.114 377 2HD1 LEU 48 3HD1 LEU 48 -4.286 -8.513 1.937 378 3HD1 LEU 48 2HD1 LEU 48 -3.571 -7.770 0.506 379 1HD2 LEU 48 2HD2 LEU 48 -5.550 -6.770 3.613 380 2HD2 LEU 48 1HD2 LEU 48 -6.815 -6.161 2.546 381 3HD2 LEU 48 3HD2 LEU 48 -6.334 -7.856 2.466 382 H ALA 49 H ALA 49 -6.682 -4.109 0.542 383 HA ALA 49 HA ALA 49 -6.752 -1.171 0.453 384 1HB ALA 49 3HB ALA 49 -8.317 -2.914 -0.772 385 2HB ALA 49 2HB ALA 49 -9.208 -2.871 0.749 386 3HB ALA 49 1HB ALA 49 -8.982 -1.391 -0.183 387 H GLU 50 H GLU 50 -7.467 0.155 2.128 388 HA GLU 50 HA GLU 50 -7.626 -1.144 4.794 389 1HB GLU 50 2HB GLU 50 -6.547 1.324 3.800 390 2HB GLU 50 1HB GLU 50 -7.784 1.690 5.003 391 1HG GLU 50 2HG GLU 50 -6.128 -0.542 5.852 392 2HG GLU 50 1HG GLU 50 -5.149 0.887 5.519 393 H ALA 51 H ALA 51 -9.816 -0.773 2.567 394 HA ALA 51 HA ALA 51 -12.090 -0.823 4.165 395 1HB ALA 51 1HB ALA 51 -11.052 1.929 3.743 396 2HB ALA 51 3HB ALA 51 -12.787 1.710 3.516 397 3HB ALA 51 2HB ALA 51 -12.039 1.288 5.056 398 H ASP 52 H ASP 52 -13.958 -1.038 2.880 399 HA ASP 52 HA ASP 52 -13.599 -1.648 0.130 400 1HB ASP 52 2HB ASP 52 -15.509 -2.640 0.933 401 2HB ASP 52 1HB ASP 52 -15.946 -1.257 1.933 402 H GLY 53 H GLY 53 -14.914 -0.500 -1.642 403 1HA GLY 53 2HA GLY 53 -15.834 2.025 -1.841 404 2HA GLY 53 1HA GLY 53 -14.110 2.345 -1.618 405 H VAL 54 H VAL 54 -13.971 3.225 -3.772 406 HA VAL 54 HA VAL 54 -13.849 1.098 -5.859 407 HB VAL 54 HB VAL 54 -15.153 3.822 -6.096 408 1HG1 VAL 54 2HG1 VAL 54 -13.683 3.404 -8.043 409 2HG1 VAL 54 1HG1 VAL 54 -14.461 1.840 -8.287 410 3HG1 VAL 54 3HG1 VAL 54 -15.385 3.326 -8.498 411 1HG2 VAL 54 3HG2 VAL 54 -16.044 0.963 -6.147 412 2HG2 VAL 54 2HG2 VAL 54 -16.831 2.368 -5.428 413 3HG2 VAL 54 1HG2 VAL 54 -16.896 2.118 -7.172 414 H ILE 55 H ILE 55 -11.885 1.114 -6.846 415 HA ILE 55 HA ILE 55 -9.815 2.927 -6.133 416 HB ILE 55 HB ILE 55 -10.011 1.283 -8.674 417 1HG1 ILE 55 2HG1 ILE 55 -10.408 0.059 -6.455 418 2HG1 ILE 55 1HG1 ILE 55 -9.082 -0.544 -7.448 419 1HG2 ILE 55 2HG2 ILE 55 -7.686 2.442 -7.111 420 2HG2 ILE 55 1HG2 ILE 55 -7.507 1.272 -8.419 421 3HG2 ILE 55 3HG2 ILE 55 -8.180 2.868 -8.750 422 1HD1 ILE 55 2HD1 ILE 55 -8.173 1.588 -5.703 423 2HD1 ILE 55 1HD1 ILE 55 -8.926 0.293 -4.772 424 3HD1 ILE 55 3HD1 ILE 55 -7.573 -0.064 -5.846 425 H ALA 56 H ALA 56 -8.694 4.448 -7.659 426 HA ALA 56 HA ALA 56 -10.729 5.987 -9.203 427 1HB ALA 56 2HB ALA 56 -8.080 6.775 -7.966 428 2HB ALA 56 1HB ALA 56 -8.983 7.831 -9.052 429 3HB ALA 56 3HB ALA 56 -9.689 7.338 -7.513 430 H GLU 57 H GLU 57 -7.219 5.268 -9.421 431 HA GLU 57 HA GLU 57 -7.350 4.145 -12.035 432 1HB GLU 57 2HB GLU 57 -7.783 6.894 -12.098 433 2HB GLU 57 1HB GLU 57 -6.069 6.735 -12.481 434 1HG GLU 57 2HG GLU 57 -6.659 5.025 -14.207 435 2HG GLU 57 1HG GLU 57 -8.365 5.332 -13.879 436 H ILE 58 H ILE 58 -5.264 3.481 -12.731 437 HA ILE 58 HA ILE 58 -3.125 3.929 -10.700 438 HB ILE 58 HB ILE 58 -3.375 1.759 -12.806 439 1HG1 ILE 58 2HG1 ILE 58 -5.082 1.402 -11.160 440 2HG1 ILE 58 1HG1 ILE 58 -3.748 0.330 -10.720 441 1HG2 ILE 58 2HG2 ILE 58 -1.456 2.118 -10.484 442 2HG2 ILE 58 1HG2 ILE 58 -1.533 0.701 -11.530 443 3HG2 ILE 58 3HG2 ILE 58 -1.046 2.261 -12.193 444 1HD1 ILE 58 3HD1 ILE 58 -2.928 2.113 -9.146 445 2HD1 ILE 58 2HD1 ILE 58 -4.396 3.026 -9.495 446 3HD1 ILE 58 1HD1 ILE 58 -4.503 1.451 -8.709 447 H VAL 59 H VAL 59 -1.295 5.016 -11.297 448 HA VAL 59 HA VAL 59 -1.128 5.972 -14.097 449 HB VAL 59 HB VAL 59 0.573 6.722 -11.700 450 1HG1 VAL 59 1HG1 VAL 59 1.547 7.176 -13.955 451 2HG1 VAL 59 3HG1 VAL 59 0.114 8.126 -14.350 452 3HG1 VAL 59 2HG1 VAL 59 1.193 8.653 -13.059 453 1HG2 VAL 59 1HG2 VAL 59 -1.834 7.243 -11.364 454 2HG2 VAL 59 3HG2 VAL 59 -0.869 8.707 -11.546 455 3HG2 VAL 59 2HG2 VAL 59 -1.843 8.121 -12.894 456 H LYS 60 H LYS 60 0.687 4.037 -11.753 457 HA LYS 60 HA LYS 60 2.820 3.557 -13.751 458 1HB LYS 60 2HB LYS 60 2.709 3.603 -10.913 459 2HB LYS 60 1HB LYS 60 3.091 1.946 -11.382 460 1HG LYS 60 2HG LYS 60 5.188 3.094 -11.217 461 2HG LYS 60 1HG LYS 60 4.852 2.921 -12.940 462 1HD LYS 60 2HD LYS 60 3.679 5.355 -11.837 463 2HD LYS 60 1HD LYS 60 5.429 5.306 -11.623 464 1HE LYS 60 2HE LYS 60 5.413 4.507 -14.136 465 2HE LYS 60 1HE LYS 60 3.831 5.286 -14.162 466 1HZ LYS 60 1HZ LYS 60 5.692 6.944 -12.843 467 2HZ LYS 60 3HZ LYS 60 6.318 6.500 -14.355 468 3HZ LYS 60 2HZ LYS 60 4.800 7.257 -14.254 469 H ASN 61 H ASN 61 3.227 1.481 -14.625 470 HA ASN 61 HA ASN 61 0.899 -0.374 -14.464 471 1HB ASN 61 2HB ASN 61 3.040 0.111 -16.530 472 2HB ASN 61 1HB ASN 61 2.116 -1.392 -16.526 473 1HD2 ASN 61 2HD2 ASN 61 0.273 2.108 -17.595 474 2HD2 ASN 61 1HD2 ASN 61 1.814 2.145 -16.864 475 H GLU 62 H GLU 62 1.704 -2.781 -14.874 476 HA GLU 62 HA GLU 62 3.361 -3.465 -12.590 477 1HB GLU 62 2HB GLU 62 2.516 -5.319 -14.829 478 2HB GLU 62 1HB GLU 62 2.899 -5.745 -13.161 479 1HG GLU 62 2HG GLU 62 0.916 -4.736 -12.330 480 2HG GLU 62 1HG GLU 62 0.634 -3.865 -13.841 481 H GLY 63 H GLY 63 5.442 -4.469 -12.651 482 1HA GLY 63 2HA GLY 63 7.589 -4.904 -13.504 483 2HA GLY 63 1HA GLY 63 6.870 -4.931 -15.119 484 H ASP 64 H ASP 64 6.167 -2.098 -13.341 485 HA ASP 64 HA ASP 64 8.070 -0.593 -15.061 486 1HB ASP 64 2HB ASP 64 6.043 0.434 -15.393 487 2HB ASP 64 1HB ASP 64 5.439 0.018 -13.787 488 H THR 65 H THR 65 8.951 1.454 -13.958 489 HA THR 65 HA THR 65 10.083 0.627 -11.328 490 HB THR 65 HB THR 65 10.979 2.680 -13.370 491 HG1 THR 65 HG1 THR 65 12.877 1.077 -12.950 492 1HG2 THR 65 3HG2 THR 65 11.543 2.446 -10.520 493 2HG2 THR 65 2HG2 THR 65 13.007 2.317 -11.495 494 3HG2 THR 65 1HG2 THR 65 11.971 3.737 -11.643 495 H VAL 66 H VAL 66 9.837 1.930 -9.504 496 HA VAL 66 HA VAL 66 8.110 4.351 -9.849 497 HB VAL 66 HB VAL 66 7.025 3.818 -7.736 498 1HG1 VAL 66 1HG1 VAL 66 6.545 2.541 -10.043 499 2HG1 VAL 66 3HG1 VAL 66 7.009 1.147 -9.067 500 3HG1 VAL 66 2HG1 VAL 66 5.655 2.161 -8.568 501 1HG2 VAL 66 3HG2 VAL 66 9.120 1.650 -7.664 502 2HG2 VAL 66 2HG2 VAL 66 8.705 2.822 -6.414 503 3HG2 VAL 66 1HG2 VAL 66 7.617 1.478 -6.759 504 H LEU 67 H LEU 67 8.441 5.999 -8.141 505 HA LEU 67 HA LEU 67 11.233 5.896 -7.070 506 1HB LEU 67 2HB LEU 67 9.770 7.933 -8.566 507 2HB LEU 67 1HB LEU 67 10.433 8.567 -7.059 508 HG LEU 67 HG LEU 67 12.430 6.902 -8.203 509 1HD1 LEU 67 1HD1 LEU 67 11.165 7.194 -10.337 510 2HD1 LEU 67 3HD1 LEU 67 11.335 8.941 -10.165 511 3HD1 LEU 67 2HD1 LEU 67 12.765 7.934 -10.391 512 1HD2 LEU 67 2HD2 LEU 67 12.036 9.614 -7.247 513 2HD2 LEU 67 1HD2 LEU 67 13.505 8.638 -7.240 514 3HD2 LEU 67 3HD2 LEU 67 13.093 9.600 -8.659 515 H SER 68 H SER 68 11.409 7.519 -5.109 516 HA SER 68 HA SER 68 9.648 6.537 -3.049 517 1HB SER 68 2HB SER 68 11.983 7.254 -2.607 518 2HB SER 68 1HB SER 68 11.533 8.914 -2.990 519 HG SER 68 HG SER 68 10.685 9.084 -1.077 520 H GLY 69 H GLY 69 7.566 7.190 -2.828 521 1HA GLY 69 2HA GLY 69 5.861 8.794 -2.354 522 2HA GLY 69 1HA GLY 69 6.955 10.075 -2.881 523 H GLU 70 H GLU 70 6.558 7.264 -4.890 524 HA GLU 70 HA GLU 70 5.488 8.954 -7.037 525 1HB GLU 70 2HB GLU 70 7.171 7.266 -7.586 526 2HB GLU 70 1HB GLU 70 6.137 5.992 -6.939 527 1HG GLU 70 2HG GLU 70 5.651 5.857 -9.215 528 2HG GLU 70 1HG GLU 70 4.382 6.947 -8.655 529 H LEU 71 H LEU 71 3.333 9.296 -7.232 530 HA LEU 71 HA LEU 71 1.376 7.805 -5.734 531 1HB LEU 71 2HB LEU 71 1.082 10.175 -6.500 532 2HB LEU 71 1HB LEU 71 0.919 9.578 -8.152 533 HG LEU 71 HG LEU 71 -0.817 8.049 -6.462 534 1HD1 LEU 71 3HD1 LEU 71 -1.119 11.059 -6.235 535 2HD1 LEU 71 2HD1 LEU 71 -2.324 9.880 -5.718 536 3HD1 LEU 71 1HD1 LEU 71 -0.756 9.949 -4.913 537 1HD2 LEU 71 2HD2 LEU 71 -0.780 9.282 -8.994 538 2HD2 LEU 71 1HD2 LEU 71 -2.060 8.263 -8.334 539 3HD2 LEU 71 3HD2 LEU 71 -2.138 10.014 -8.139 540 H LEU 72 H LEU 72 0.866 5.723 -6.210 541 HA LEU 72 HA LEU 72 1.115 4.763 -8.999 542 1HB LEU 72 2HB LEU 72 0.248 3.138 -6.602 543 2HB LEU 72 1HB LEU 72 0.981 2.564 -8.100 544 HG LEU 72 HG LEU 72 2.466 4.508 -6.350 545 1HD1 LEU 72 3HD1 LEU 72 1.862 1.652 -5.806 546 2HD1 LEU 72 2HD1 LEU 72 3.549 2.132 -5.624 547 3HD1 LEU 72 1HD1 LEU 72 2.295 2.944 -4.687 548 1HD2 LEU 72 2HD2 LEU 72 2.984 2.740 -8.658 549 2HD2 LEU 72 1HD2 LEU 72 3.799 4.227 -8.176 550 3HD2 LEU 72 3HD2 LEU 72 4.232 2.697 -7.413 551 H GLY 73 H GLY 73 -1.307 5.786 -6.752 552 1HA GLY 73 2HA GLY 73 -3.388 5.910 -8.642 553 2HA GLY 73 1HA GLY 73 -3.545 4.344 -7.838 554 H LYS 74 H LYS 74 -5.638 5.920 -7.406 555 HA LYS 74 HA LYS 74 -5.235 6.847 -4.602 556 1HB LYS 74 2HB LYS 74 -6.599 8.346 -6.848 557 2HB LYS 74 1HB LYS 74 -6.898 8.713 -5.149 558 1HG LYS 74 2HG LYS 74 -4.320 8.867 -4.939 559 2HG LYS 74 1HG LYS 74 -4.325 8.977 -6.699 560 1HD LYS 74 2HD LYS 74 -5.996 10.778 -4.930 561 2HD LYS 74 1HD LYS 74 -4.379 11.208 -5.490 562 1HE LYS 74 2HE LYS 74 -5.189 10.807 -7.851 563 2HE LYS 74 1HE LYS 74 -6.818 10.645 -7.195 564 1HZ LYS 74 1HZ LYS 74 -5.703 12.952 -6.110 565 2HZ LYS 74 3HZ LYS 74 -5.389 12.995 -7.776 566 3HZ LYS 74 2HZ LYS 74 -6.986 12.836 -7.218 567 H LEU 75 H LEU 75 -6.961 6.344 -3.239 568 HA LEU 75 HA LEU 75 -9.003 4.535 -4.398 569 1HB LEU 75 2HB LEU 75 -7.645 3.978 -2.299 570 2HB LEU 75 1HB LEU 75 -8.608 5.204 -1.475 571 HG LEU 75 HG LEU 75 -10.526 3.720 -2.802 572 1HD1 LEU 75 2HD1 LEU 75 -8.153 2.031 -2.157 573 2HD1 LEU 75 1HD1 LEU 75 -9.743 1.369 -1.777 574 3HD1 LEU 75 3HD1 LEU 75 -9.355 1.838 -3.432 575 1HD2 LEU 75 3HD2 LEU 75 -10.153 4.575 -0.309 576 2HD2 LEU 75 2HD2 LEU 75 -11.293 3.275 -0.658 577 3HD2 LEU 75 1HD2 LEU 75 -9.682 2.895 -0.049 578 H THR 76 H THR 76 -11.239 4.948 -4.207 579 HA THR 76 HA THR 76 -11.910 7.803 -3.711 580 HB THR 76 HB THR 76 -13.742 5.697 -4.873 581 HG1 THR 76 HG1 THR 76 -12.328 7.434 -6.517 582 1HG2 THR 76 3HG2 THR 76 -13.675 8.671 -4.643 583 2HG2 THR 76 2HG2 THR 76 -14.380 7.979 -6.104 584 3HG2 THR 76 1HG2 THR 76 -15.044 7.566 -4.523 585 H GLU 77 H GLU 77 -14.214 8.071 -2.713 586 HA GLU 77 HA GLU 77 -14.177 7.028 -0.062 587 1HB GLU 77 2HB GLU 77 -16.519 8.163 -1.625 588 2HB GLU 77 1HB GLU 77 -16.454 7.967 0.127 589 1HG GLU 77 2HG GLU 77 -14.117 9.339 -0.410 590 2HG GLU 77 1HG GLU 77 -15.251 10.043 -1.563 591 H GLY 78 H GLY 78 -16.667 6.053 0.545 592 1HA GLY 78 2HA GLY 78 -17.438 3.893 -1.257 593 2HA GLY 78 1HA GLY 78 -16.548 3.323 0.156 594 H GLY 79 HN GLY 79 -19.598 4.384 -1.000 595 1HA GLY 79 2HA GLY 79 -21.245 3.422 0.917 596 2HA GLY 79 1HA GLY 79 -20.684 4.906 1.690 No H/Q in entry = 596
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