NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10816 | 1qfb | 4406 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 18.759 27.655 17.034 2 2H GLY 1 2H GLY 1 17.667 27.869 15.781 3 3H GLY 1 3H GLY 1 19.254 28.372 15.595 4 1HA GLY 1 HA2 GLY 1 18.114 25.945 14.906 5 2HA GLY 1 HA1 GLY 1 19.827 26.413 14.771 6 H CYS 2 HN CYS 2 17.969 26.150 17.782 7 HA CYS 2 HA CYS 2 19.560 23.759 18.570 8 1HB CYS 2 HB2 CYS 2 18.718 26.192 20.259 9 2HB CYS 2 HB1 CYS 2 19.318 24.718 20.935 10 HA HYP 3 HA HYP 3 19.215 22.171 20.149 11 1HB HYP 3 1HB HYP 3 18.382 20.383 21.344 12 2HB HYP 3 2HB HYP 3 17.720 19.709 19.882 13 1HD HYP 3 1HD HYP 3 15.517 23.098 20.654 14 2HD HYP 3 2HD HYP 3 15.329 22.130 19.206 15 HOD HYP 3 HOD HYP 3 15.431 21.068 22.573 16 HG HYP 3 HG HYP 3 15.562 20.240 20.633 17 H DTR 4 HN DTR 4 19.512 19.654 19.062 18 HA DTR 4 HA DTR 4 19.643 20.144 16.119 19 1HB DTR 4 HB1 DTR 4 19.556 17.433 16.273 20 2HB DTR 4 HB2 DTR 4 18.076 18.383 16.194 21 HD1 DTR 4 HD1 DTR 4 16.365 17.718 18.051 22 HE1 DTR 4 HE1 DTR 4 16.604 16.658 20.294 23 HZ2 DTR 4 HZ2 DTR 4 18.682 15.719 22.133 24 HH2 DTR 4 HH2 DTR 4 21.163 15.557 22.203 25 HZ3 DTR 4 HZ3 DTR 4 22.500 16.371 20.247 26 HE3 DTR 4 HE3 DTR 4 21.385 17.293 18.332 27 H GLU 5 HN GLU 5 21.732 20.661 18.233 28 HA GLU 5 HA GLU 5 23.669 18.538 17.619 29 1HB GLU 5 HB2 GLU 5 23.810 21.341 16.646 30 2HB GLU 5 HB1 GLU 5 25.331 20.771 17.158 31 1HG GLU 5 HG2 GLU 5 24.007 18.834 15.369 32 2HG GLU 5 HG1 GLU 5 23.933 20.435 14.679 33 HA PRO 6 HA PRO 6 24.778 18.982 21.707 34 1HB PRO 6 HB2 PRO 6 27.276 17.984 21.712 35 2HB PRO 6 HB1 PRO 6 26.009 17.031 20.947 36 1HG PRO 6 HG2 PRO 6 27.807 19.147 19.522 37 2HG PRO 6 HG1 PRO 6 27.706 17.471 19.026 38 1HD PRO 6 HD2 PRO 6 26.281 19.403 17.916 39 2HD PRO 6 HD1 PRO 6 25.439 17.843 18.206 40 H TRP 7 HN TRP 7 26.184 20.984 19.539 41 HA TRP 7 HA TRP 7 28.034 22.270 21.399 42 1HB TRP 7 HB2 TRP 7 28.773 23.401 19.392 43 2HB TRP 7 HB1 TRP 7 28.706 21.660 19.176 44 HD1 TRP 7 HD1 TRP 7 29.015 22.633 16.662 45 HE1 TRP 7 HE1 TRP 7 27.266 23.231 14.922 46 HE3 TRP 7 HE3 TRP 7 25.005 22.710 19.509 47 HZ2 TRP 7 HZ2 TRP 7 24.458 23.706 14.746 48 HZ3 TRP 7 HZ3 TRP 7 22.825 23.123 18.622 49 HH2 TRP 7 HH2 TRP 7 22.470 23.683 16.221 50 H CYS 8 HN CYS 8 24.933 22.679 21.411 51 HA CYS 8 HA CYS 8 24.705 25.581 21.209 52 1HB CYS 8 HB2 CYS 8 22.882 23.479 22.404 53 2HB CYS 8 HB1 CYS 8 22.512 25.162 22.523 54 1HN NH2 9 1HN NH2 9 26.748 25.801 22.653 55 2HN NH2 9 2HN NH2 9 26.533 25.847 24.333 Start of MODEL 2 1 1H GLY 1 1H GLY 1 16.381 26.013 16.218 2 2H GLY 1 2H GLY 1 17.813 25.209 16.556 3 3H GLY 1 3H GLY 1 17.862 26.873 16.234 4 1HA GLY 1 HA2 GLY 1 17.649 27.283 18.395 5 2HA GLY 1 HA1 GLY 1 16.102 26.402 18.385 6 H CYS 2 HN CYS 2 17.137 25.692 20.602 7 HA CYS 2 HA CYS 2 18.845 23.281 20.121 8 1HB CYS 2 HB2 CYS 2 18.587 25.001 22.613 9 2HB CYS 2 HB1 CYS 2 19.535 23.551 22.501 10 HA HYP 3 HA HYP 3 19.266 21.410 21.285 11 1HB HYP 3 1HB HYP 3 19.003 19.431 22.379 12 2HB HYP 3 2HB HYP 3 18.225 18.796 20.950 13 1HD HYP 3 1HD HYP 3 15.777 21.433 23.003 14 2HD HYP 3 2HD HYP 3 15.294 20.895 21.382 15 HOD HYP 3 HOD HYP 3 17.811 18.958 23.867 16 HG HYP 3 HG HYP 3 16.159 18.752 22.022 17 H DTR 4 HN DTR 4 19.565 19.283 19.725 18 HA DTR 4 HA DTR 4 18.827 20.141 16.958 19 1HB DTR 4 HB1 DTR 4 19.248 17.431 16.719 20 2HB DTR 4 HB2 DTR 4 17.649 18.058 17.068 21 HD1 DTR 4 HD1 DTR 4 16.569 17.194 19.352 22 HE1 DTR 4 HE1 DTR 4 17.567 16.005 21.325 23 HZ2 DTR 4 HZ2 DTR 4 20.109 15.097 22.349 24 HH2 DTR 4 HH2 DTR 4 22.488 15.123 21.677 25 HZ3 DTR 4 HZ3 DTR 4 23.166 16.196 19.520 26 HE3 DTR 4 HE3 DTR 4 21.470 17.155 18.100 27 H GLU 5 HN GLU 5 21.145 20.848 18.650 28 HA GLU 5 HA GLU 5 23.285 19.347 17.253 29 1HB GLU 5 HB2 GLU 5 22.834 22.323 17.280 30 2HB GLU 5 HB1 GLU 5 24.420 21.879 17.702 31 1HG GLU 5 HG2 GLU 5 23.618 22.394 15.168 32 2HG GLU 5 HG1 GLU 5 25.063 21.496 15.607 33 HA PRO 6 HA PRO 6 24.888 18.771 21.233 34 1HB PRO 6 HB2 PRO 6 27.428 18.154 20.672 35 2HB PRO 6 HB1 PRO 6 26.152 17.283 19.767 36 1HG PRO 6 HG2 PRO 6 27.538 19.988 18.891 37 2HG PRO 6 HG1 PRO 6 27.541 18.539 17.915 38 1HD PRO 6 HD2 PRO 6 25.721 20.474 17.603 39 2HD PRO 6 HD1 PRO 6 25.162 18.786 17.480 40 H TRP 7 HN TRP 7 25.757 21.457 19.664 41 HA TRP 7 HA TRP 7 27.768 22.335 21.572 42 1HB TRP 7 HB2 TRP 7 28.060 24.114 19.948 43 2HB TRP 7 HB1 TRP 7 28.072 22.537 19.178 44 HD1 TRP 7 HD1 TRP 7 27.791 24.353 17.239 45 HE1 TRP 7 HE1 TRP 7 25.737 25.285 16.114 46 HE3 TRP 7 HE3 TRP 7 24.401 22.786 20.438 47 HZ2 TRP 7 HZ2 TRP 7 22.868 25.305 16.538 48 HZ3 TRP 7 HZ3 TRP 7 22.082 23.109 20.111 49 HH2 TRP 7 HH2 TRP 7 21.203 24.394 18.150 50 H CYS 8 HN CYS 8 24.706 22.388 22.150 51 HA CYS 8 HA CYS 8 24.526 25.240 22.955 52 1HB CYS 8 HB2 CYS 8 22.574 23.424 22.224 53 2HB CYS 8 HB1 CYS 8 22.464 23.288 23.948 54 HN1 NH2 9 HN1 NH2 9 26.670 24.214 24.106 55 HN2 NH2 9 HN2 NH2 9 26.484 23.850 25.748 Start of MODEL 3 1 1H GLY 1 1H GLY 1 18.349 28.754 16.996 2 2H GLY 1 2H GLY 1 17.549 27.253 17.044 3 3H GLY 1 3H GLY 1 17.809 28.010 15.565 4 1HA GLY 1 HA2 GLY 1 19.727 26.977 15.342 5 2HA GLY 1 HA1 GLY 1 20.279 27.727 16.843 6 H CYS 2 HN CYS 2 18.620 26.704 18.713 7 HA CYS 2 HA CYS 2 19.170 23.776 18.606 8 1HB CYS 2 HB2 CYS 2 19.090 25.801 20.880 9 2HB CYS 2 HB1 CYS 2 19.181 24.084 21.171 10 HA HYP 3 HA HYP 3 18.655 22.251 20.423 11 1HB HYP 3 1HB HYP 3 17.560 20.675 21.638 12 2HB HYP 3 2HB HYP 3 16.815 20.049 20.175 13 1HD HYP 3 1HD HYP 3 15.097 23.739 20.782 14 2HD HYP 3 2HD HYP 3 14.837 22.725 19.363 15 HOD HYP 3 HOD HYP 3 16.031 21.318 22.971 16 HG HYP 3 HG HYP 3 14.761 20.928 20.994 17 H DTR 4 HN DTR 4 19.015 19.898 19.574 18 HA DTR 4 HA DTR 4 19.044 19.966 16.600 19 1HB DTR 4 HB1 DTR 4 18.981 17.346 16.984 20 2HB DTR 4 HB2 DTR 4 17.519 18.263 17.083 21 HD1 DTR 4 HD1 DTR 4 16.087 17.664 19.150 22 HE1 DTR 4 HE1 DTR 4 16.630 16.767 21.417 23 HZ2 DTR 4 HZ2 DTR 4 18.857 15.995 23.044 24 HH2 DTR 4 HH2 DTR 4 21.332 15.896 22.896 25 HZ3 DTR 4 HZ3 DTR 4 22.474 16.615 20.782 26 HE3 DTR 4 HE3 DTR 4 21.175 17.376 18.945 27 H GLU 5 HN GLU 5 21.322 20.788 18.459 28 HA GLU 5 HA GLU 5 23.249 18.630 17.816 29 1HB GLU 5 HB2 GLU 5 23.317 21.449 16.890 30 2HB GLU 5 HB1 GLU 5 24.853 20.930 17.404 31 1HG GLU 5 HG2 GLU 5 23.593 18.959 15.575 32 2HG GLU 5 HG1 GLU 5 23.524 20.547 14.885 33 HA PRO 6 HA PRO 6 24.573 19.059 21.855 34 1HB PRO 6 HB2 PRO 6 27.096 18.155 21.733 35 2HB PRO 6 HB1 PRO 6 25.815 17.165 21.016 36 1HG PRO 6 HG2 PRO 6 27.489 19.348 19.535 37 2HG PRO 6 HG1 PRO 6 27.407 17.665 19.029 38 1HD PRO 6 HD2 PRO 6 25.880 19.579 18.028 39 2HD PRO 6 HD1 PRO 6 25.099 18.001 18.303 40 H TRP 7 HN TRP 7 25.853 21.130 19.646 41 HA TRP 7 HA TRP 7 27.731 22.451 21.458 42 1HB TRP 7 HB2 TRP 7 28.355 23.629 19.428 43 2HB TRP 7 HB1 TRP 7 28.328 21.901 19.197 44 HD1 TRP 7 HD1 TRP 7 28.466 22.909 16.692 45 HE1 TRP 7 HE1 TRP 7 26.593 23.488 15.076 46 HE3 TRP 7 HE3 TRP 7 24.600 22.822 19.767 47 HZ2 TRP 7 HZ2 TRP 7 23.768 23.854 15.056 48 HZ3 TRP 7 HZ3 TRP 7 22.376 23.187 19.054 49 HH2 TRP 7 HH2 TRP 7 21.872 23.770 16.664 50 H CYS 8 HN CYS 8 24.731 22.678 21.705 51 HA CYS 8 HA CYS 8 23.964 25.417 21.383 52 1HB CYS 8 HB2 CYS 8 23.049 23.416 23.471 53 2HB CYS 8 HB1 CYS 8 22.262 24.947 23.146 54 1HN NH2 9 1HN NH2 9 26.168 24.025 23.661 55 2HN NH2 9 2HN NH2 9 26.338 25.395 24.655 Start of MODEL 4 1 1H GLY 1 1H GLY 1 20.767 15.862 24.818 2 2H GLY 1 2H GLY 1 19.156 16.183 25.149 3 3H GLY 1 3H GLY 1 20.092 17.332 24.329 4 1HA GLY 1 HA2 GLY 1 20.246 15.008 22.810 5 2HA GLY 1 HA1 GLY 1 18.529 15.284 23.191 6 H CYS 2 HN CYS 2 18.468 15.922 20.764 7 HA CYS 2 HA CYS 2 19.325 18.758 20.465 8 1HB CYS 2 HB2 CYS 2 19.340 16.457 18.496 9 2HB CYS 2 HB1 CYS 2 19.360 18.129 17.953 10 HA HYP 3 HA HYP 3 18.808 20.376 18.785 11 1HB HYP 3 1HB HYP 3 17.574 21.992 17.728 12 2HB HYP 3 2HB HYP 3 17.098 22.592 19.291 13 1HD HYP 3 1HD HYP 3 15.417 19.038 18.040 14 2HD HYP 3 2HD HYP 3 14.958 19.465 19.709 15 HOD HYP 3 HOD HYP 3 15.576 22.145 16.828 16 HG HYP 3 HG HYP 3 14.952 21.771 19.120 17 H DTR 4 HN DTR 4 18.972 22.711 19.953 18 HA DTR 4 HA DTR 4 19.190 22.149 22.869 19 1HB DTR 4 HB1 DTR 4 18.871 24.796 22.929 20 2HB DTR 4 HB2 DTR 4 17.453 23.744 22.760 21 HD1 DTR 4 HD1 DTR 4 15.906 24.260 20.716 22 HE1 DTR 4 HE1 DTR 4 16.231 25.724 18.686 23 HZ2 DTR 4 HZ2 DTR 4 18.230 27.286 17.340 24 HH2 DTR 4 HH2 DTR 4 20.613 27.911 17.635 25 HZ3 DTR 4 HZ3 DTR 4 21.882 27.038 19.612 26 HE3 DTR 4 HE3 DTR 4 20.772 25.607 21.241 27 H GLU 5 HN GLU 5 21.375 21.970 20.677 28 HA GLU 5 HA GLU 5 23.096 24.192 21.499 29 1HB GLU 5 HB2 GLU 5 23.486 21.362 22.403 30 2HB GLU 5 HB1 GLU 5 24.948 22.097 21.985 31 1HG GLU 5 HG2 GLU 5 22.973 23.477 23.903 32 2HG GLU 5 HG1 GLU 5 23.982 22.213 24.459 33 HA PRO 6 HA PRO 6 24.555 23.990 17.455 34 1HB PRO 6 HB2 PRO 6 26.931 25.213 17.665 35 2HB PRO 6 HB1 PRO 6 25.518 26.007 18.397 36 1HG PRO 6 HG2 PRO 6 27.369 23.918 19.821 37 2HG PRO 6 HG1 PRO 6 27.193 25.561 20.388 38 1HD PRO 6 HD2 PRO 6 25.789 23.575 21.349 39 2HD PRO 6 HD1 PRO 6 24.862 25.058 21.014 40 H TRP 7 HN TRP 7 25.653 21.810 19.448 41 HA TRP 7 HA TRP 7 27.798 20.812 17.696 42 1HB TRP 7 HB2 TRP 7 28.597 19.714 19.670 43 2HB TRP 7 HB1 TRP 7 28.396 21.419 19.949 44 HD1 TRP 7 HD1 TRP 7 28.739 20.267 22.356 45 HE1 TRP 7 HE1 TRP 7 27.122 19.487 24.024 46 HE3 TRP 7 HE3 TRP 7 24.763 20.238 19.502 47 HZ2 TRP 7 HZ2 TRP 7 24.214 18.838 24.162 48 HZ3 TRP 7 HZ3 TRP 7 22.610 19.648 20.280 49 HH2 TRP 7 HH2 TRP 7 22.232 18.903 22.644 50 H CYS 8 HN CYS 8 24.750 20.270 17.654 51 HA CYS 8 HA CYS 8 24.354 17.470 17.934 52 1HB CYS 8 HB2 CYS 8 23.104 19.376 15.909 53 2HB CYS 8 HB1 CYS 8 22.525 17.732 16.213 54 1HN NH2 9 1HN NH2 9 25.678 19.226 15.149 55 2HN NH2 9 2HN NH2 9 26.190 17.835 14.307 Start of MODEL 5 1 1H GLY 1 1H GLY 1 20.000 28.149 15.509 2 2H GLY 1 2H GLY 1 18.947 27.233 14.568 3 3H GLY 1 3H GLY 1 20.158 26.494 15.512 4 1HA GLY 1 HA2 GLY 1 18.661 28.059 17.247 5 2HA GLY 1 HA1 GLY 1 17.538 27.127 16.239 6 H CYS 2 HN CYS 2 17.631 26.378 18.832 7 HA CYS 2 HA CYS 2 19.169 23.853 18.783 8 1HB CYS 2 HB2 CYS 2 18.509 25.533 21.233 9 2HB CYS 2 HB1 CYS 2 19.514 24.123 21.215 10 HA HYP 3 HA HYP 3 19.072 22.148 20.404 11 1HB HYP 3 1HB HYP 3 18.431 20.257 21.533 12 2HB HYP 3 2HB HYP 3 17.627 19.644 20.100 13 1HD HYP 3 1HD HYP 3 15.217 22.797 20.912 14 2HD HYP 3 2HD HYP 3 15.264 21.721 19.534 15 HOD HYP 3 HOD HYP 3 16.981 20.811 23.111 16 HG HYP 3 HG HYP 3 15.602 20.075 21.333 17 H DTR 4 HN DTR 4 19.420 19.686 19.211 18 HA DTR 4 HA DTR 4 19.298 20.248 16.291 19 1HB DTR 4 HB1 DTR 4 19.581 17.569 16.352 20 2HB DTR 4 HB2 DTR 4 17.989 18.283 16.525 21 HD1 DTR 4 HD1 DTR 4 16.701 17.661 18.750 22 HE1 DTR 4 HE1 DTR 4 17.460 16.522 20.847 23 HZ2 DTR 4 HZ2 DTR 4 19.871 15.545 22.129 24 HH2 DTR 4 HH2 DTR 4 22.306 15.406 21.644 25 HZ3 DTR 4 HZ3 DTR 4 23.193 16.306 19.493 26 HE3 DTR 4 HE3 DTR 4 21.667 17.299 17.879 27 H GLU 5 HN GLU 5 21.467 20.919 18.352 28 HA GLU 5 HA GLU 5 23.618 19.168 17.398 29 1HB GLU 5 HB2 GLU 5 23.344 22.057 16.737 30 2HB GLU 5 HB1 GLU 5 24.954 21.622 17.086 31 1HG GLU 5 HG2 GLU 5 24.397 19.678 15.273 32 2HG GLU 5 HG1 GLU 5 23.162 20.781 14.784 33 HA PRO 6 HA PRO 6 24.902 19.366 21.404 34 1HB PRO 6 HB2 PRO 6 27.446 18.575 21.178 35 2HB PRO 6 HB1 PRO 6 26.227 17.626 20.355 36 1HG PRO 6 HG2 PRO 6 27.832 19.994 19.161 37 2HG PRO 6 HG1 PRO 6 27.777 18.383 18.465 38 1HD PRO 6 HD2 PRO 6 26.219 20.429 17.670 39 2HD PRO 6 HD1 PRO 6 25.536 18.780 17.691 40 H TRP 7 HN TRP 7 26.050 21.700 19.414 41 HA TRP 7 HA TRP 7 27.905 22.924 21.306 42 1HB TRP 7 HB2 TRP 7 28.357 24.367 19.386 43 2HB TRP 7 HB1 TRP 7 28.529 22.685 19.013 44 HD1 TRP 7 HD1 TRP 7 28.460 23.771 16.519 45 HE1 TRP 7 HE1 TRP 7 26.525 24.292 15.008 46 HE3 TRP 7 HE3 TRP 7 24.765 23.317 19.710 47 HZ2 TRP 7 HZ2 TRP 7 23.687 24.521 15.101 48 HZ3 TRP 7 HZ3 TRP 7 22.464 23.626 19.123 49 HH2 TRP 7 HH2 TRP 7 21.850 24.282 16.777 50 H CYS 8 HN CYS 8 24.813 23.068 21.535 51 HA CYS 8 HA CYS 8 24.386 25.943 21.654 52 1HB CYS 8 HB2 CYS 8 22.589 24.062 21.337 53 2HB CYS 8 HB1 CYS 8 22.620 23.960 23.052 54 1HN NH2 9 1HN NH2 9 26.666 25.333 23.158 55 2HN NH2 9 2HN NH2 9 26.371 25.591 24.796 Start of MODEL 6 1 1H GLY 1 1H GLY 1 18.915 28.528 17.722 2 2H GLY 1 2H GLY 1 18.942 27.870 19.268 3 3H GLY 1 3H GLY 1 17.574 28.702 18.732 4 1HA GLY 1 HA2 GLY 1 16.748 26.791 17.967 5 2HA GLY 1 HA1 GLY 1 18.160 26.661 16.932 6 H CYS 2 HN CYS 2 17.083 25.950 20.312 7 HA CYS 2 HA CYS 2 18.941 23.642 20.260 8 1HB CYS 2 HB2 CYS 2 18.419 25.575 22.560 9 2HB CYS 2 HB1 CYS 2 19.199 24.026 22.751 10 HA HYP 3 HA HYP 3 19.239 21.770 21.365 11 1HB HYP 3 1HB HYP 3 18.832 19.771 22.385 12 2HB HYP 3 2HB HYP 3 18.231 19.169 20.888 13 1HD HYP 3 1HD HYP 3 15.999 21.727 23.152 14 2HD HYP 3 2HD HYP 3 15.146 21.473 21.624 15 HOD HYP 3 HOD HYP 3 16.424 18.456 23.371 16 HG HYP 3 HG HYP 3 16.000 19.282 21.485 17 H DTR 4 HN DTR 4 19.506 19.658 19.734 18 HA DTR 4 HA DTR 4 18.984 20.688 16.975 19 1HB DTR 4 HB1 DTR 4 19.156 17.968 16.618 20 2HB DTR 4 HB2 DTR 4 17.600 18.741 16.991 21 HD1 DTR 4 HD1 DTR 4 16.407 17.764 19.148 22 HE1 DTR 4 HE1 DTR 4 17.255 16.422 21.089 23 HZ2 DTR 4 HZ2 DTR 4 19.719 15.351 22.160 24 HH2 DTR 4 HH2 DTR 4 22.129 15.285 21.586 25 HZ3 DTR 4 HZ3 DTR 4 22.935 16.426 19.487 26 HE3 DTR 4 HE3 DTR 4 21.343 17.547 18.058 27 H GLU 5 HN GLU 5 21.343 20.946 18.931 28 HA GLU 5 HA GLU 5 23.338 19.280 17.514 29 1HB GLU 5 HB2 GLU 5 23.061 22.234 17.279 30 2HB GLU 5 HB1 GLU 5 24.669 21.797 17.663 31 1HG GLU 5 HG2 GLU 5 23.248 20.303 15.407 32 2HG GLU 5 HG1 GLU 5 23.732 21.944 15.116 33 HA PRO 6 HA PRO 6 24.958 18.598 21.314 34 1HB PRO 6 HB2 PRO 6 27.544 18.056 20.796 35 2HB PRO 6 HB1 PRO 6 26.333 17.179 19.843 36 1HG PRO 6 HG2 PRO 6 27.674 19.896 19.119 37 2HG PRO 6 HG1 PRO 6 27.695 18.497 18.071 38 1HD PRO 6 HD2 PRO 6 25.957 20.478 17.814 39 2HD PRO 6 HD1 PRO 6 25.319 18.806 17.586 40 H TRP 7 HN TRP 7 25.844 21.370 19.892 41 HA TRP 7 HA TRP 7 27.761 22.187 21.918 42 1HB TRP 7 HB2 TRP 7 28.009 24.110 20.400 43 2HB TRP 7 HB1 TRP 7 28.235 22.581 19.614 44 HD1 TRP 7 HD1 TRP 7 28.019 24.272 17.545 45 HE1 TRP 7 HE1 TRP 7 25.994 25.077 16.285 46 HE3 TRP 7 HE3 TRP 7 24.478 22.726 20.596 47 HZ2 TRP 7 HZ2 TRP 7 23.155 25.080 16.510 48 HZ3 TRP 7 HZ3 TRP 7 22.138 23.020 20.132 49 HH2 TRP 7 HH2 TRP 7 21.408 24.234 18.071 50 H CYS 8 HN CYS 8 24.631 22.192 22.224 51 HA CYS 8 HA CYS 8 24.443 24.919 23.358 52 1HB CYS 8 HB2 CYS 8 22.476 23.458 22.179 53 2HB CYS 8 HB1 CYS 8 22.218 22.954 23.820 54 1HN NH2 9 1HN NH2 9 25.468 21.891 24.363 55 2HN NH2 9 2HN NH2 9 25.331 22.099 26.041 Start of MODEL 7 1 1H GLY 1 1H GLY 1 19.861 26.780 15.711 2 2H GLY 1 2H GLY 1 20.094 28.471 15.687 3 3H GLY 1 3H GLY 1 18.632 27.786 15.110 4 1HA GLY 1 HA2 GLY 1 19.219 28.624 17.706 5 2HA GLY 1 HA1 GLY 1 17.756 27.826 17.105 6 H CYS 2 HN CYS 2 17.997 26.896 19.343 7 HA CYS 2 HA CYS 2 19.429 24.302 19.187 8 1HB CYS 2 HB2 CYS 2 18.921 25.996 21.696 9 2HB CYS 2 HB1 CYS 2 19.761 24.467 21.650 10 HA HYP 3 HA HYP 3 19.033 22.446 20.630 11 1HB HYP 3 1HB HYP 3 18.052 20.580 21.551 12 2HB HYP 3 2HB HYP 3 17.277 20.194 20.039 13 1HD HYP 3 1HD HYP 3 15.228 23.552 20.976 14 2HD HYP 3 2HD HYP 3 15.291 22.590 19.496 15 HOD HYP 3 HOD HYP 3 16.684 21.267 23.070 16 HG HYP 3 HG HYP 3 15.254 20.801 21.215 17 H DTR 4 HN DTR 4 19.098 20.089 19.263 18 HA DTR 4 HA DTR 4 19.423 20.843 16.387 19 1HB DTR 4 HB1 DTR 4 19.108 18.168 16.252 20 2HB DTR 4 HB2 DTR 4 17.714 19.211 16.225 21 HD1 DTR 4 HD1 DTR 4 15.909 18.660 18.060 22 HE1 DTR 4 HE1 DTR 4 15.976 17.299 20.146 23 HZ2 DTR 4 HZ2 DTR 4 17.827 15.817 21.813 24 HH2 DTR 4 HH2 DTR 4 20.230 15.253 21.863 25 HZ3 DTR 4 HZ3 DTR 4 21.740 16.103 20.045 26 HE3 DTR 4 HE3 DTR 4 20.820 17.417 18.261 27 H GLU 5 HN GLU 5 21.444 21.042 18.573 28 HA GLU 5 HA GLU 5 23.162 18.733 18.026 29 1HB GLU 5 HB2 GLU 5 23.641 21.436 16.937 30 2HB GLU 5 HB1 GLU 5 25.074 20.780 17.608 31 1HG GLU 5 HG2 GLU 5 23.935 18.743 15.927 32 2HG GLU 5 HG1 GLU 5 23.655 20.258 15.087 33 HA PRO 6 HA PRO 6 24.355 19.128 22.089 34 1HB PRO 6 HB2 PRO 6 26.710 17.850 22.109 35 2HB PRO 6 HB1 PRO 6 25.323 17.035 21.380 36 1HG PRO 6 HG2 PRO 6 27.355 18.883 19.896 37 2HG PRO 6 HG1 PRO 6 27.047 17.215 19.443 38 1HD PRO 6 HD2 PRO 6 25.871 19.293 18.300 39 2HD PRO 6 HD1 PRO 6 24.849 17.856 18.587 40 H TRP 7 HN TRP 7 26.017 20.879 19.859 41 HA TRP 7 HA TRP 7 28.020 21.983 21.705 42 1HB TRP 7 HB2 TRP 7 28.843 23.045 19.661 43 2HB TRP 7 HB1 TRP 7 28.660 21.317 19.485 44 HD1 TRP 7 HD1 TRP 7 28.986 22.075 16.929 45 HE1 TRP 7 HE1 TRP 7 27.295 22.764 15.209 46 HE3 TRP 7 HE3 TRP 7 25.078 22.800 19.827 47 HZ2 TRP 7 HZ2 TRP 7 24.533 23.563 15.012 48 HZ3 TRP 7 HZ3 TRP 7 22.928 23.445 19.009 49 HH2 TRP 7 HH2 TRP 7 22.599 23.907 16.553 50 H CYS 8 HN CYS 8 25.039 22.622 21.785 51 HA CYS 8 HA CYS 8 24.911 25.528 21.432 52 1HB CYS 8 HB2 CYS 8 22.874 23.993 21.374 53 2HB CYS 8 HB1 CYS 8 23.095 23.692 23.092 54 1HN NH2 9 1HN NH2 9 26.985 25.887 22.728 55 2HN NH2 9 2HN NH2 9 26.907 25.980 24.416 Start of MODEL 8 1 1H GLY 1 1H GLY 1 17.265 16.608 23.578 2 2H GLY 1 2H GLY 1 17.730 15.159 24.229 3 3H GLY 1 3H GLY 1 16.384 15.213 23.209 4 1HA GLY 1 HA2 GLY 1 19.134 14.936 22.478 5 2HA GLY 1 HA1 GLY 1 17.721 14.852 21.420 6 H CYS 2 HN CYS 2 18.438 16.411 19.777 7 HA CYS 2 HA CYS 2 19.237 19.086 20.794 8 1HB CYS 2 HB2 CYS 2 19.193 18.569 17.872 9 2HB CYS 2 HB1 CYS 2 20.437 19.309 18.840 10 HA HYP 3 HA HYP 3 19.177 21.148 19.174 11 1HB HYP 3 1HB HYP 3 18.257 23.020 18.275 12 2HB HYP 3 2HB HYP 3 17.788 23.516 19.878 13 1HD HYP 3 1HD HYP 3 15.356 20.383 18.719 14 2HD HYP 3 2HD HYP 3 15.428 20.982 20.387 15 HOD HYP 3 HOD HYP 3 15.305 22.788 17.261 16 HG HYP 3 HG HYP 3 15.543 23.138 19.305 17 H DTR 4 HN DTR 4 19.618 23.320 20.548 18 HA DTR 4 HA DTR 4 19.702 22.558 23.426 19 1HB DTR 4 HB1 DTR 4 19.891 25.188 23.623 20 2HB DTR 4 HB2 DTR 4 18.331 24.494 23.330 21 HD1 DTR 4 HD1 DTR 4 17.042 25.603 21.341 22 HE1 DTR 4 HE1 DTR 4 17.782 26.941 19.360 23 HZ2 DTR 4 HZ2 DTR 4 20.134 27.887 18.064 24 HH2 DTR 4 HH2 DTR 4 22.592 27.788 18.338 25 HZ3 DTR 4 HZ3 DTR 4 23.557 26.547 20.280 26 HE3 DTR 4 HE3 DTR 4 22.106 25.483 21.865 27 H GLU 5 HN GLU 5 21.830 22.077 21.239 28 HA GLU 5 HA GLU 5 23.971 23.856 22.139 29 1HB GLU 5 HB2 GLU 5 23.746 21.033 23.070 30 2HB GLU 5 HB1 GLU 5 25.294 21.367 22.471 31 1HG GLU 5 HG2 GLU 5 24.787 23.540 24.188 32 2HG GLU 5 HG1 GLU 5 24.002 22.210 24.965 33 HA PRO 6 HA PRO 6 25.266 23.460 18.118 34 1HB PRO 6 HB2 PRO 6 27.762 24.342 18.292 35 2HB PRO 6 HB1 PRO 6 26.512 25.253 19.131 36 1HG PRO 6 HG2 PRO 6 28.214 22.936 20.332 37 2HG PRO 6 HG1 PRO 6 28.096 24.556 21.043 38 1HD PRO 6 HD2 PRO 6 26.684 22.389 21.760 39 2HD PRO 6 HD1 PRO 6 25.961 24.017 21.916 40 H TRP 7 HN TRP 7 26.251 21.132 20.105 41 HA TRP 7 HA TRP 7 28.166 19.850 18.285 42 1HB TRP 7 HB2 TRP 7 28.595 18.444 20.281 43 2HB TRP 7 HB1 TRP 7 28.852 20.140 20.561 44 HD1 TRP 7 HD1 TRP 7 28.832 19.264 23.137 45 HE1 TRP 7 HE1 TRP 7 26.988 18.912 24.745 46 HE3 TRP 7 HE3 TRP 7 25.083 19.529 20.064 47 HZ2 TRP 7 HZ2 TRP 7 24.103 18.678 24.745 48 HZ3 TRP 7 HZ3 TRP 7 22.789 19.270 20.724 49 HH2 TRP 7 HH2 TRP 7 22.216 18.821 23.123 50 H CYS 8 HN CYS 8 25.036 19.776 18.213 51 HA CYS 8 HA CYS 8 24.245 17.034 18.315 52 1HB CYS 8 HB2 CYS 8 22.730 19.076 17.984 53 2HB CYS 8 HB1 CYS 8 23.213 19.078 16.305 54 1HN NH2 9 1HN NH2 9 25.530 18.854 15.523 55 2HN NH2 9 2HN NH2 9 25.901 17.488 14.599 Start of MODEL 9 1 1H GLY 1 1H GLY 1 20.860 28.773 16.135 2 2H GLY 1 2H GLY 1 20.584 28.003 17.611 3 3H GLY 1 3H GLY 1 19.638 29.321 17.188 4 1HA GLY 1 HA2 GLY 1 18.166 27.956 16.194 5 2HA GLY 1 HA1 GLY 1 19.432 27.464 15.095 6 H CYS 2 HN CYS 2 18.331 26.892 18.479 7 HA CYS 2 HA CYS 2 19.225 24.052 18.144 8 1HB CYS 2 HB2 CYS 2 19.598 26.018 20.410 9 2HB CYS 2 HB1 CYS 2 19.416 24.333 20.798 10 HA HYP 3 HA HYP 3 19.016 22.385 20.127 11 1HB HYP 3 1HB HYP 3 18.075 20.668 21.273 12 2HB HYP 3 2HB HYP 3 17.290 20.069 19.835 13 1HD HYP 3 1HD HYP 3 15.366 23.591 20.682 14 2HD HYP 3 2HD HYP 3 15.160 22.612 19.227 15 HOD HYP 3 HOD HYP 3 16.741 21.338 22.720 16 HG HYP 3 HG HYP 3 15.261 20.818 20.891 17 H DTR 4 HN DTR 4 19.201 19.912 19.110 18 HA DTR 4 HA DTR 4 19.457 20.295 16.161 19 1HB DTR 4 HB1 DTR 4 19.122 17.619 16.325 20 2HB DTR 4 HB2 DTR 4 17.736 18.680 16.219 21 HD1 DTR 4 HD1 DTR 4 15.953 18.205 18.070 22 HE1 DTR 4 HE1 DTR 4 16.045 17.153 20.318 23 HZ2 DTR 4 HZ2 DTR 4 17.979 15.964 22.146 24 HH2 DTR 4 HH2 DTR 4 20.417 15.539 22.274 25 HZ3 DTR 4 HZ3 DTR 4 21.871 16.202 20.343 26 HE3 DTR 4 HE3 DTR 4 20.888 17.226 18.417 27 H GLU 5 HN GLU 5 21.562 20.687 18.312 28 HA GLU 5 HA GLU 5 23.260 18.339 17.918 29 1HB GLU 5 HB2 GLU 5 23.717 20.905 16.497 30 2HB GLU 5 HB1 GLU 5 25.148 20.385 17.271 31 1HG GLU 5 HG2 GLU 5 24.231 18.102 15.875 32 2HG GLU 5 HG1 GLU 5 23.792 19.424 14.872 33 HA PRO 6 HA PRO 6 24.413 19.113 21.892 34 1HB PRO 6 HB2 PRO 6 26.801 17.940 22.075 35 2HB PRO 6 HB1 PRO 6 25.469 17.010 21.420 36 1HG PRO 6 HG2 PRO 6 27.467 18.790 19.806 37 2HG PRO 6 HG1 PRO 6 27.205 17.075 19.496 38 1HD PRO 6 HD2 PRO 6 26.006 18.995 18.136 39 2HD PRO 6 HD1 PRO 6 25.001 17.567 18.556 40 H TRP 7 HN TRP 7 26.055 20.763 19.591 41 HA TRP 7 HA TRP 7 27.926 22.108 21.367 42 1HB TRP 7 HB2 TRP 7 28.787 22.977 19.251 43 2HB TRP 7 HB1 TRP 7 28.664 21.266 19.258 44 HD1 TRP 7 HD1 TRP 7 29.044 21.747 16.619 45 HE1 TRP 7 HE1 TRP 7 27.396 22.169 14.788 46 HE3 TRP 7 HE3 TRP 7 25.037 22.600 19.322 47 HZ2 TRP 7 HZ2 TRP 7 24.623 22.837 14.438 48 HZ3 TRP 7 HZ3 TRP 7 22.903 23.078 18.374 49 HH2 TRP 7 HH2 TRP 7 22.614 23.271 15.883 50 H CYS 8 HN CYS 8 24.908 22.646 21.187 51 HA CYS 8 HA CYS 8 24.230 25.224 20.462 52 1HB CYS 8 HB2 CYS 8 23.437 23.761 23.001 53 2HB CYS 8 HB1 CYS 8 22.687 25.247 22.467 54 1HN NH2 9 1HN NH2 9 26.121 24.415 23.345 55 2HN NH2 9 2HN NH2 9 26.504 26.030 23.771 Start of MODEL 10 1 1H GLY 1 1H GLY 1 18.736 27.297 16.292 2 2H GLY 1 2H GLY 1 17.099 26.900 16.538 3 3H GLY 1 3H GLY 1 18.296 25.719 16.688 4 1HA GLY 1 HA2 GLY 1 19.055 27.688 18.439 5 2HA GLY 1 HA1 GLY 1 17.327 27.363 18.738 6 H CYS 2 HN CYS 2 17.851 26.088 20.715 7 HA CYS 2 HA CYS 2 19.118 23.473 20.051 8 1HB CYS 2 HB2 CYS 2 18.946 24.524 22.851 9 2HB CYS 2 HB1 CYS 2 20.055 23.374 22.189 10 HA HYP 3 HA HYP 3 19.331 21.529 21.271 11 1HB HYP 3 1HB HYP 3 18.844 19.500 22.191 12 2HB HYP 3 2HB HYP 3 17.999 19.049 20.725 13 1HD HYP 3 1HD HYP 3 15.695 21.847 22.667 14 2HD HYP 3 2HD HYP 3 15.345 21.322 21.039 15 HOD HYP 3 HOD HYP 3 17.203 20.862 23.756 16 HG HYP 3 HG HYP 3 15.977 19.141 21.901 17 H DTR 4 HN DTR 4 19.588 19.440 19.675 18 HA DTR 4 HA DTR 4 19.153 20.432 16.885 19 1HB DTR 4 HB1 DTR 4 19.441 17.738 16.553 20 2HB DTR 4 HB2 DTR 4 17.861 18.427 16.821 21 HD1 DTR 4 HD1 DTR 4 16.588 17.471 18.972 22 HE1 DTR 4 HE1 DTR 4 17.384 16.148 20.940 23 HZ2 DTR 4 HZ2 DTR 4 19.836 15.100 22.107 24 HH2 DTR 4 HH2 DTR 4 22.271 15.082 21.614 25 HZ3 DTR 4 HZ3 DTR 4 23.109 16.244 19.557 26 HE3 DTR 4 HE3 DTR 4 21.551 17.344 18.060 27 H GLU 5 HN GLU 5 21.342 20.703 18.997 28 HA GLU 5 HA GLU 5 23.519 19.189 17.745 29 1HB GLU 5 HB2 GLU 5 23.122 22.136 17.580 30 2HB GLU 5 HB1 GLU 5 24.740 21.701 17.922 31 1HG GLU 5 HG2 GLU 5 24.025 20.020 15.735 32 2HG GLU 5 HG1 GLU 5 23.217 21.540 15.405 33 HA PRO 6 HA PRO 6 24.917 18.917 21.791 34 1HB PRO 6 HB2 PRO 6 27.442 18.197 21.413 35 2HB PRO 6 HB1 PRO 6 26.189 17.335 20.501 36 1HG PRO 6 HG2 PRO 6 27.776 19.860 19.545 37 2HG PRO 6 HG1 PRO 6 27.674 18.367 18.636 38 1HD PRO 6 HD2 PRO 6 26.103 20.523 18.242 39 2HD PRO 6 HD1 PRO 6 25.442 18.861 17.972 40 H TRP 7 HN TRP 7 25.959 21.458 20.060 41 HA TRP 7 HA TRP 7 27.911 22.508 21.966 42 1HB TRP 7 HB2 TRP 7 28.303 24.113 20.199 43 2HB TRP 7 HB1 TRP 7 28.335 22.452 19.597 44 HD1 TRP 7 HD1 TRP 7 28.137 23.993 17.355 45 HE1 TRP 7 HE1 TRP 7 26.069 24.725 16.079 46 HE3 TRP 7 HE3 TRP 7 24.632 22.937 20.677 47 HZ2 TRP 7 HZ2 TRP 7 23.265 24.879 16.424 48 HZ3 TRP 7 HZ3 TRP 7 22.321 23.309 20.269 49 HH2 TRP 7 HH2 TRP 7 21.531 24.288 18.108 50 H CYS 8 HN CYS 8 24.849 22.572 22.453 51 HA CYS 8 HA CYS 8 24.370 25.435 22.784 52 1HB CYS 8 HB2 CYS 8 22.630 23.490 22.511 53 2HB CYS 8 HB1 CYS 8 22.830 23.271 24.247 54 1HN NH2 9 1HN NH2 9 26.591 25.513 24.019 55 2HN NH2 9 2HN NH2 9 26.514 25.420 25.712 Start of MODEL 11 1 1H GLY 1 1H GLY 1 21.886 25.621 15.894 2 2H GLY 1 2H GLY 1 22.022 27.297 15.671 3 3H GLY 1 3H GLY 1 21.320 26.302 14.480 4 1HA GLY 1 HA2 GLY 1 19.974 27.561 16.624 5 2HA GLY 1 HA1 GLY 1 19.313 26.452 15.393 6 H CYS 2 HN CYS 2 18.772 26.504 18.380 7 HA CYS 2 HA CYS 2 19.599 23.695 18.908 8 1HB CYS 2 HB2 CYS 2 19.403 26.064 20.842 9 2HB CYS 2 HB1 CYS 2 19.524 24.388 21.352 10 HA HYP 3 HA HYP 3 18.915 22.145 20.415 11 1HB HYP 3 1HB HYP 3 17.716 20.414 21.314 12 2HB HYP 3 2HB HYP 3 16.950 20.134 19.815 13 1HD HYP 3 1HD HYP 3 15.526 23.801 20.922 14 2HD HYP 3 2HD HYP 3 15.149 22.989 19.396 15 HOD HYP 3 HOD HYP 3 16.542 21.303 22.806 16 HG HYP 3 HG HYP 3 14.944 21.030 20.848 17 H DTR 4 HN DTR 4 18.931 19.743 19.118 18 HA DTR 4 HA DTR 4 19.333 20.445 16.238 19 1HB DTR 4 HB1 DTR 4 18.832 17.770 16.143 20 2HB DTR 4 HB2 DTR 4 17.535 18.915 16.032 21 HD1 DTR 4 HD1 DTR 4 15.617 18.504 17.766 22 HE1 DTR 4 HE1 DTR 4 15.534 17.255 19.931 23 HZ2 DTR 4 HZ2 DTR 4 17.276 15.821 21.765 24 HH2 DTR 4 HH2 DTR 4 19.669 15.185 21.918 25 HZ3 DTR 4 HZ3 DTR 4 21.258 15.860 20.109 26 HE3 DTR 4 HE3 DTR 4 20.457 17.100 18.212 27 H GLU 5 HN GLU 5 21.373 20.488 18.463 28 HA GLU 5 HA GLU 5 22.933 18.073 17.822 29 1HB GLU 5 HB2 GLU 5 23.560 20.742 16.825 30 2HB GLU 5 HB1 GLU 5 24.951 20.067 17.558 31 1HG GLU 5 HG2 GLU 5 24.012 18.053 15.844 32 2HG GLU 5 HG1 GLU 5 23.544 19.464 15.014 33 HA PRO 6 HA PRO 6 24.343 18.284 21.926 34 1HB PRO 6 HB2 PRO 6 26.660 16.920 21.758 35 2HB PRO 6 HB1 PRO 6 25.211 16.195 21.085 36 1HG PRO 6 HG2 PRO 6 27.160 18.025 19.550 37 2HG PRO 6 HG1 PRO 6 26.845 16.367 19.066 38 1HD PRO 6 HD2 PRO 6 25.609 18.435 18.003 39 2HD PRO 6 HD1 PRO 6 24.566 17.034 18.403 40 H TRP 7 HN TRP 7 25.795 20.212 19.739 41 HA TRP 7 HA TRP 7 27.936 21.173 21.526 42 1HB TRP 7 HB2 TRP 7 28.814 22.197 19.491 43 2HB TRP 7 HB1 TRP 7 28.536 20.446 19.305 44 HD1 TRP 7 HD1 TRP 7 28.885 21.312 16.717 45 HE1 TRP 7 HE1 TRP 7 27.143 22.040 15.071 46 HE3 TRP 7 HE3 TRP 7 25.017 22.025 19.715 47 HZ2 TRP 7 HZ2 TRP 7 24.413 22.869 14.950 48 HZ3 TRP 7 HZ3 TRP 7 22.891 22.716 18.963 49 HH2 TRP 7 HH2 TRP 7 22.516 23.216 16.536 50 H CYS 8 HN CYS 8 25.017 21.909 21.701 51 HA CYS 8 HA CYS 8 24.808 24.708 21.308 52 1HB CYS 8 HB2 CYS 8 23.343 22.878 23.163 53 2HB CYS 8 HB1 CYS 8 22.942 24.545 23.077 54 1HN NH2 9 1HN NH2 9 27.060 25.287 22.192 55 2HN NH2 9 2HN NH2 9 27.212 25.579 23.791 Start of MODEL 12 1 1H GLY 1 1H GLY 1 21.002 28.264 18.793 2 2H GLY 1 2H GLY 1 20.282 29.268 17.637 3 3H GLY 1 3H GLY 1 21.953 28.968 17.583 4 1HA GLY 1 HA2 GLY 1 19.902 27.569 16.267 5 2HA GLY 1 HA1 GLY 1 21.597 27.201 16.317 6 H CYS 2 HN CYS 2 19.402 27.087 19.123 7 HA CYS 2 HA CYS 2 19.880 24.162 19.168 8 1HB CYS 2 HB2 CYS 2 19.963 26.125 21.487 9 2HB CYS 2 HB1 CYS 2 20.020 24.387 21.669 10 HA HYP 3 HA HYP 3 19.071 22.515 20.664 11 1HB HYP 3 1HB HYP 3 17.683 20.885 21.478 12 2HB HYP 3 2HB HYP 3 16.908 20.713 19.931 13 1HD HYP 3 1HD HYP 3 15.689 24.449 20.997 14 2HD HYP 3 2HD HYP 3 15.463 23.590 19.474 15 HOD HYP 3 HOD HYP 3 16.514 21.791 22.953 16 HG HYP 3 HG HYP 3 15.009 21.738 21.015 17 H DTR 4 HN DTR 4 19.003 20.246 19.363 18 HA DTR 4 HA DTR 4 19.356 20.885 16.472 19 1HB DTR 4 HB1 DTR 4 18.887 18.241 16.376 20 2HB DTR 4 HB2 DTR 4 17.554 19.360 16.408 21 HD1 DTR 4 HD1 DTR 4 15.792 18.903 18.282 22 HE1 DTR 4 HE1 DTR 4 15.868 17.550 20.370 23 HZ2 DTR 4 HZ2 DTR 4 17.719 15.994 21.981 24 HH2 DTR 4 HH2 DTR 4 20.102 15.332 21.949 25 HZ3 DTR 4 HZ3 DTR 4 21.577 16.105 20.076 26 HE3 DTR 4 HE3 DTR 4 20.646 17.461 18.310 27 H GLU 5 HN GLU 5 21.408 20.920 18.720 28 HA GLU 5 HA GLU 5 23.048 18.599 18.092 29 1HB GLU 5 HB2 GLU 5 23.619 21.317 17.044 30 2HB GLU 5 HB1 GLU 5 25.017 20.553 17.708 31 1HG GLU 5 HG2 GLU 5 23.933 18.561 16.012 32 2HG GLU 5 HG1 GLU 5 23.578 20.050 15.160 33 HA PRO 6 HA PRO 6 24.269 19.184 22.195 34 1HB PRO 6 HB2 PRO 6 26.439 17.645 22.310 35 2HB PRO 6 HB1 PRO 6 25.000 16.958 21.580 36 1HG PRO 6 HG2 PRO 6 27.281 18.480 20.089 37 2HG PRO 6 HG1 PRO 6 26.737 16.857 19.665 38 1HD PRO 6 HD2 PRO 6 25.895 19.136 18.458 39 2HD PRO 6 HD1 PRO 6 24.760 17.759 18.649 40 H TRP 7 HN TRP 7 26.079 20.656 19.907 41 HA TRP 7 HA TRP 7 28.240 21.586 21.663 42 1HB TRP 7 HB2 TRP 7 29.132 22.390 19.558 43 2HB TRP 7 HB1 TRP 7 28.676 20.703 19.485 44 HD1 TRP 7 HD1 TRP 7 29.004 21.396 16.881 45 HE1 TRP 7 HE1 TRP 7 27.313 22.251 15.218 46 HE3 TRP 7 HE3 TRP 7 25.311 22.584 19.916 47 HZ2 TRP 7 HZ2 TRP 7 24.678 23.344 15.127 48 HZ3 TRP 7 HZ3 TRP 7 23.224 23.450 19.193 49 HH2 TRP 7 HH2 TRP 7 22.861 23.906 16.745 50 H CYS 8 HN CYS 8 25.410 22.689 21.739 51 HA CYS 8 HA CYS 8 25.040 25.327 21.166 52 1HB CYS 8 HB2 CYS 8 24.421 23.906 23.752 53 2HB CYS 8 HB1 CYS 8 23.770 25.468 23.350 54 1HN NH2 9 1HN NH2 9 27.429 26.146 21.223 55 2HN NH2 9 2HN NH2 9 27.919 26.953 22.648 Start of MODEL 13 1 1H GLY 1 1H GLY 1 20.183 26.952 15.576 2 2H GLY 1 2H GLY 1 20.663 28.537 15.844 3 3H GLY 1 3H GLY 1 19.213 28.229 15.061 4 1HA GLY 1 HA2 GLY 1 19.653 28.546 17.802 5 2HA GLY 1 HA1 GLY 1 18.139 28.184 16.974 6 H CYS 2 HN CYS 2 18.279 26.990 19.289 7 HA CYS 2 HA CYS 2 19.157 24.168 18.762 8 1HB CYS 2 HB2 CYS 2 19.286 25.955 21.173 9 2HB CYS 2 HB1 CYS 2 19.033 24.266 21.441 10 HA HYP 3 HA HYP 3 18.813 22.394 20.550 11 1HB HYP 3 1HB HYP 3 17.815 20.616 21.587 12 2HB HYP 3 2HB HYP 3 17.046 20.118 20.100 13 1HD HYP 3 1HD HYP 3 15.076 23.594 20.889 14 2HD HYP 3 2HD HYP 3 15.020 22.550 19.427 15 HOD HYP 3 HOD HYP 3 16.371 21.336 23.054 16 HG HYP 3 HG HYP 3 15.008 20.822 21.163 17 H DTR 4 HN DTR 4 18.956 19.943 19.410 18 HA DTR 4 HA DTR 4 19.233 20.482 16.479 19 1HB DTR 4 HB1 DTR 4 18.963 17.839 16.494 20 2HB DTR 4 HB2 DTR 4 17.524 18.866 16.562 21 HD1 DTR 4 HD1 DTR 4 15.954 18.278 18.572 22 HE1 DTR 4 HE1 DTR 4 16.263 16.999 20.670 23 HZ2 DTR 4 HZ2 DTR 4 18.313 15.614 22.181 24 HH2 DTR 4 HH2 DTR 4 20.746 15.144 22.017 25 HZ3 DTR 4 HZ3 DTR 4 22.037 15.985 20.035 26 HE3 DTR 4 HE3 DTR 4 20.897 17.244 18.288 27 H GLU 5 HN GLU 5 21.327 20.574 18.810 28 HA GLU 5 HA GLU 5 23.151 18.453 17.970 29 1HB GLU 5 HB2 GLU 5 23.453 21.283 17.107 30 2HB GLU 5 HB1 GLU 5 24.911 20.726 17.799 31 1HG GLU 5 HG2 GLU 5 24.030 18.727 15.889 32 2HG GLU 5 HG1 GLU 5 23.766 20.272 15.154 33 HA PRO 6 HA PRO 6 24.244 18.673 22.103 34 1HB PRO 6 HB2 PRO 6 26.716 17.671 22.150 35 2HB PRO 6 HB1 PRO 6 25.474 16.757 21.310 36 1HG PRO 6 HG2 PRO 6 27.364 18.912 20.063 37 2HG PRO 6 HG1 PRO 6 27.218 17.260 19.451 38 1HD PRO 6 HD2 PRO 6 25.928 19.360 18.458 39 2HD PRO 6 HD1 PRO 6 25.045 17.811 18.488 40 H TRP 7 HN TRP 7 25.773 20.761 20.104 41 HA TRP 7 HA TRP 7 27.526 22.003 22.087 42 1HB TRP 7 HB2 TRP 7 28.362 23.183 20.157 43 2HB TRP 7 HB1 TRP 7 28.308 21.452 19.875 44 HD1 TRP 7 HD1 TRP 7 28.679 22.466 17.376 45 HE1 TRP 7 HE1 TRP 7 26.980 23.141 15.628 46 HE3 TRP 7 HE3 TRP 7 24.623 22.531 20.139 47 HZ2 TRP 7 HZ2 TRP 7 24.171 23.633 15.385 48 HZ3 TRP 7 HZ3 TRP 7 22.458 23.036 19.281 49 HH2 TRP 7 HH2 TRP 7 22.165 23.662 16.862 50 H CYS 8 HN CYS 8 24.484 22.376 22.053 51 HA CYS 8 HA CYS 8 23.763 25.046 21.612 52 1HB CYS 8 HB2 CYS 8 22.888 23.170 23.836 53 2HB CYS 8 HB1 CYS 8 22.145 24.715 23.544 54 1HN NH2 9 1HN NH2 9 25.189 26.706 22.218 55 2HN NH2 9 2HN NH2 9 25.697 27.008 23.833 Start of MODEL 14 1 1H GLY 1 1H GLY 1 19.765 27.201 14.845 2 2H GLY 1 2H GLY 1 18.101 27.372 15.090 3 3H GLY 1 3H GLY 1 18.797 25.865 15.305 4 1HA GLY 1 HA2 GLY 1 20.069 27.710 16.957 5 2HA GLY 1 HA1 GLY 1 18.332 27.800 17.175 6 H CYS 2 HN CYS 2 18.642 26.737 19.266 7 HA CYS 2 HA CYS 2 19.197 23.809 19.063 8 1HB CYS 2 HB2 CYS 2 19.407 25.754 21.405 9 2HB CYS 2 HB1 CYS 2 19.630 24.044 21.560 10 HA HYP 3 HA HYP 3 18.811 22.187 20.943 11 1HB HYP 3 1HB HYP 3 17.666 20.626 22.160 12 2HB HYP 3 2HB HYP 3 16.998 20.013 20.655 13 1HD HYP 3 1HD HYP 3 15.619 23.644 22.027 14 2HD HYP 3 2HD HYP 3 14.939 23.245 20.451 15 HOD HYP 3 HOD HYP 3 16.083 20.777 23.359 16 HG HYP 3 HG HYP 3 14.905 20.949 21.063 17 H DTR 4 HN DTR 4 18.986 19.927 19.911 18 HA DTR 4 HA DTR 4 18.997 20.218 16.961 19 1HB DTR 4 HB1 DTR 4 18.711 17.605 17.108 20 2HB DTR 4 HB2 DTR 4 17.302 18.609 17.275 21 HD1 DTR 4 HD1 DTR 4 15.843 18.070 19.349 22 HE1 DTR 4 HE1 DTR 4 16.277 16.847 21.483 23 HZ2 DTR 4 HZ2 DTR 4 18.393 15.572 22.951 24 HH2 DTR 4 HH2 DTR 4 20.820 15.126 22.712 25 HZ3 DTR 4 HZ3 DTR 4 22.036 15.905 20.665 26 HE3 DTR 4 HE3 DTR 4 20.821 17.055 18.959 27 H GLU 5 HN GLU 5 21.215 20.663 18.979 28 HA GLU 5 HA GLU 5 22.995 18.440 18.338 29 1HB GLU 5 HB2 GLU 5 23.256 21.142 17.196 30 2HB GLU 5 HB1 GLU 5 24.712 20.710 18.032 31 1HG GLU 5 HG2 GLU 5 25.325 19.753 16.128 32 2HG GLU 5 HG1 GLU 5 24.161 18.460 16.444 33 HA PRO 6 HA PRO 6 24.474 19.007 22.334 34 1HB PRO 6 HB2 PRO 6 26.853 17.836 22.226 35 2HB PRO 6 HB1 PRO 6 25.453 16.939 21.566 36 1HG PRO 6 HG2 PRO 6 27.326 18.885 19.980 37 2HG PRO 6 HG1 PRO 6 27.068 17.192 19.541 38 1HD PRO 6 HD2 PRO 6 25.743 19.252 18.469 39 2HD PRO 6 HD1 PRO 6 24.843 17.740 18.763 40 H TRP 7 HN TRP 7 25.875 20.860 19.949 41 HA TRP 7 HA TRP 7 27.987 21.972 21.686 42 1HB TRP 7 HB2 TRP 7 28.575 23.184 19.621 43 2HB TRP 7 HB1 TRP 7 28.540 21.461 19.466 44 HD1 TRP 7 HD1 TRP 7 28.579 22.107 16.876 45 HE1 TRP 7 HE1 TRP 7 26.741 22.639 15.300 46 HE3 TRP 7 HE3 TRP 7 24.874 22.745 20.089 47 HZ2 TRP 7 HZ2 TRP 7 23.967 23.227 15.294 48 HZ3 TRP 7 HZ3 TRP 7 22.639 23.208 19.351 49 HH2 TRP 7 HH2 TRP 7 22.109 23.521 16.940 50 H CYS 8 HN CYS 8 25.036 22.559 22.042 51 HA CYS 8 HA CYS 8 24.785 25.434 21.754 52 1HB CYS 8 HB2 CYS 8 23.344 23.666 23.760 53 2HB CYS 8 HB1 CYS 8 22.829 25.232 23.222 54 1HN NH2 9 1HN NH2 9 26.938 23.825 23.692 55 2HN NH2 9 2HN NH2 9 27.095 24.958 24.933 Start of MODEL 15 1 1H GLY 1 1H GLY 1 18.535 28.907 17.911 2 2H GLY 1 2H GLY 1 18.734 28.208 19.459 3 3H GLY 1 3H GLY 1 17.249 28.879 18.974 4 1HA GLY 1 HA2 GLY 1 16.613 26.908 18.119 5 2HA GLY 1 HA1 GLY 1 18.029 26.941 17.102 6 H CYS 2 HN CYS 2 16.873 25.983 20.349 7 HA CYS 2 HA CYS 2 18.919 23.842 20.355 8 1HB CYS 2 HB2 CYS 2 18.230 25.673 22.708 9 2HB CYS 2 HB1 CYS 2 19.150 24.211 22.841 10 HA HYP 3 HA HYP 3 19.184 21.922 21.565 11 1HB HYP 3 1HB HYP 3 18.798 19.881 22.516 12 2HB HYP 3 2HB HYP 3 18.076 19.333 21.008 13 1HD HYP 3 1HD HYP 3 15.775 22.020 23.141 14 2HD HYP 3 2HD HYP 3 15.145 21.574 21.540 15 HOD HYP 3 HOD HYP 3 17.430 19.242 23.861 16 HG HYP 3 HG HYP 3 15.941 19.381 21.899 17 H DTR 4 HN DTR 4 19.530 19.779 19.933 18 HA DTR 4 HA DTR 4 19.075 20.787 17.167 19 1HB DTR 4 HB1 DTR 4 19.296 18.133 16.773 20 2HB DTR 4 HB2 DTR 4 17.746 18.827 17.176 21 HD1 DTR 4 HD1 DTR 4 16.613 17.811 19.364 22 HE1 DTR 4 HE1 DTR 4 17.508 16.357 21.187 23 HZ2 DTR 4 HZ2 DTR 4 19.977 15.174 22.127 24 HH2 DTR 4 HH2 DTR 4 22.362 15.121 21.445 25 HZ3 DTR 4 HZ3 DTR 4 23.124 16.371 19.425 26 HE3 DTR 4 HE3 DTR 4 21.500 17.598 18.108 27 H GLU 5 HN GLU 5 21.370 21.095 19.118 28 HA GLU 5 HA GLU 5 23.489 19.566 17.775 29 1HB GLU 5 HB2 GLU 5 23.153 22.518 17.713 30 2HB GLU 5 HB1 GLU 5 24.765 22.057 18.002 31 1HG GLU 5 HG2 GLU 5 24.116 20.515 15.744 32 2HG GLU 5 HG1 GLU 5 23.107 21.951 15.521 33 HA PRO 6 HA PRO 6 24.772 19.096 21.818 34 1HB PRO 6 HB2 PRO 6 27.321 18.356 21.508 35 2HB PRO 6 HB1 PRO 6 26.111 17.548 20.493 36 1HG PRO 6 HG2 PRO 6 27.707 20.134 19.738 37 2HG PRO 6 HG1 PRO 6 27.690 18.671 18.774 38 1HD PRO 6 HD2 PRO 6 26.063 20.775 18.327 39 2HD PRO 6 HD1 PRO 6 25.425 19.140 18.063 40 H TRP 7 HN TRP 7 25.873 21.707 20.267 41 HA TRP 7 HA TRP 7 27.716 22.640 22.345 42 1HB TRP 7 HB2 TRP 7 28.194 24.332 20.664 43 2HB TRP 7 HB1 TRP 7 28.272 22.708 19.989 44 HD1 TRP 7 HD1 TRP 7 28.206 24.366 17.810 45 HE1 TRP 7 HE1 TRP 7 26.212 25.210 16.475 46 HE3 TRP 7 HE3 TRP 7 24.506 23.157 20.879 47 HZ2 TRP 7 HZ2 TRP 7 23.418 25.337 16.635 48 HZ3 TRP 7 HZ3 TRP 7 22.227 23.529 20.327 49 HH2 TRP 7 HH2 TRP 7 21.579 24.687 18.192 50 H CYS 8 HN CYS 8 24.602 22.734 22.606 51 HA CYS 8 HA CYS 8 24.291 25.607 23.188 52 1HB CYS 8 HB2 CYS 8 22.398 23.906 22.451 53 2HB CYS 8 HB1 CYS 8 22.338 23.493 24.154 54 1HN NH2 9 1HN NH2 9 26.354 25.185 24.621 55 2HN NH2 9 2HN NH2 9 26.070 24.869 26.252 Start of MODEL 16 1 1H GLY 1 1H GLY 1 16.219 15.419 23.973 2 2H GLY 1 2H GLY 1 17.310 16.653 24.167 3 3H GLY 1 3H GLY 1 17.737 15.068 24.644 4 1HA GLY 1 HA2 GLY 1 18.640 14.798 22.586 5 2HA GLY 1 HA1 GLY 1 17.011 14.999 21.906 6 H CYS 2 HN CYS 2 17.915 16.397 20.152 7 HA CYS 2 HA CYS 2 18.804 19.080 21.120 8 1HB CYS 2 HB2 CYS 2 19.171 18.006 18.309 9 2HB CYS 2 HB1 CYS 2 20.033 19.313 19.068 10 HA HYP 3 HA HYP 3 18.824 21.158 19.525 11 1HB HYP 3 1HB HYP 3 17.715 22.871 18.511 12 2HB HYP 3 2HB HYP 3 17.364 23.457 20.131 13 1HD HYP 3 1HD HYP 3 15.367 20.365 18.250 14 2HD HYP 3 2HD HYP 3 14.850 20.368 19.938 15 HOD HYP 3 HOD HYP 3 15.929 22.365 17.394 16 HG HYP 3 HG HYP 3 15.168 22.716 20.117 17 H DTR 4 HN DTR 4 19.160 23.131 20.943 18 HA DTR 4 HA DTR 4 18.936 22.338 23.807 19 1HB DTR 4 HB1 DTR 4 18.991 24.979 24.064 20 2HB DTR 4 HB2 DTR 4 17.483 24.209 23.623 21 HD1 DTR 4 HD1 DTR 4 16.310 25.299 21.545 22 HE1 DTR 4 HE1 DTR 4 17.162 26.753 19.672 23 HZ2 DTR 4 HZ2 DTR 4 19.557 27.844 18.617 24 HH2 DTR 4 HH2 DTR 4 21.980 27.872 19.116 25 HZ3 DTR 4 HZ3 DTR 4 22.836 26.617 21.106 26 HE3 DTR 4 HE3 DTR 4 21.298 25.425 22.531 27 H GLU 5 HN GLU 5 21.239 22.083 21.711 28 HA GLU 5 HA GLU 5 23.228 23.854 22.910 29 1HB GLU 5 HB2 GLU 5 23.194 20.897 23.320 30 2HB GLU 5 HB1 GLU 5 24.699 21.592 23.419 31 1HG GLU 5 HG2 GLU 5 23.141 23.268 25.088 32 2HG GLU 5 HG1 GLU 5 22.419 21.669 25.321 33 HA PRO 6 HA PRO 6 24.992 23.834 19.013 34 1HB PRO 6 HB2 PRO 6 27.371 24.873 19.528 35 2HB PRO 6 HB1 PRO 6 25.938 25.668 20.261 36 1HG PRO 6 HG2 PRO 6 27.720 23.436 21.542 37 2HG PRO 6 HG1 PRO 6 27.344 24.965 22.309 38 1HD PRO 6 HD2 PRO 6 26.055 22.630 22.727 39 2HD PRO 6 HD1 PRO 6 25.184 24.176 22.903 40 H TRP 7 HN TRP 7 26.004 21.552 21.027 41 HA TRP 7 HA TRP 7 28.227 20.492 19.413 42 1HB TRP 7 HB2 TRP 7 28.605 19.164 21.409 43 2HB TRP 7 HB1 TRP 7 28.482 20.862 21.790 44 HD1 TRP 7 HD1 TRP 7 28.332 19.646 24.218 45 HE1 TRP 7 HE1 TRP 7 26.330 18.872 25.510 46 HE3 TRP 7 HE3 TRP 7 24.917 19.843 20.702 47 HZ2 TRP 7 HZ2 TRP 7 23.525 18.349 25.140 48 HZ3 TRP 7 HZ3 TRP 7 22.606 19.258 21.056 49 HH2 TRP 7 HH2 TRP 7 21.861 18.450 23.304 50 H CYS 8 HN CYS 8 25.235 20.273 18.834 51 HA CYS 8 HA CYS 8 24.926 17.373 18.556 52 1HB CYS 8 HB2 CYS 8 23.026 19.147 19.077 53 2HB CYS 8 HB1 CYS 8 23.058 19.414 17.346 54 1HN NH2 9 1HN NH2 9 26.377 19.806 16.737 55 2HN NH2 9 2HN NH2 9 26.322 19.040 15.243 Start of MODEL 17 1 1H GLY 1 1H GLY 1 19.570 27.869 19.123 2 2H GLY 1 2H GLY 1 18.206 28.833 18.890 3 3H GLY 1 3H GLY 1 19.224 28.546 17.591 4 1HA GLY 1 HA2 GLY 1 16.990 27.063 18.375 5 2HA GLY 1 HA1 GLY 1 18.092 26.740 17.033 6 H CYS 2 HN CYS 2 17.292 25.890 20.336 7 HA CYS 2 HA CYS 2 19.254 23.637 20.200 8 1HB CYS 2 HB2 CYS 2 18.457 25.164 22.701 9 2HB CYS 2 HB1 CYS 2 19.611 23.861 22.598 10 HA HYP 3 HA HYP 3 19.537 21.686 21.331 11 1HB HYP 3 1HB HYP 3 19.166 19.616 22.255 12 2HB HYP 3 2HB HYP 3 18.525 19.068 20.754 13 1HD HYP 3 1HD HYP 3 15.731 21.629 22.362 14 2HD HYP 3 2HD HYP 3 15.667 21.037 20.689 15 HOD HYP 3 HOD HYP 3 17.254 20.846 23.636 16 HG HYP 3 HG HYP 3 16.392 18.960 21.716 17 H DTR 4 HN DTR 4 19.987 19.510 19.733 18 HA DTR 4 HA DTR 4 19.677 20.504 16.940 19 1HB DTR 4 HB1 DTR 4 19.874 17.829 16.564 20 2HB DTR 4 HB2 DTR 4 18.323 18.560 16.907 21 HD1 DTR 4 HD1 DTR 4 17.055 17.491 18.966 22 HE1 DTR 4 HE1 DTR 4 17.846 16.127 20.909 23 HZ2 DTR 4 HZ2 DTR 4 20.264 15.075 22.092 24 HH2 DTR 4 HH2 DTR 4 22.697 15.075 21.624 25 HZ3 DTR 4 HZ3 DTR 4 23.596 16.282 19.628 26 HE3 DTR 4 HE3 DTR 4 22.063 17.404 18.141 27 H GLU 5 HN GLU 5 21.926 20.817 18.977 28 HA GLU 5 HA GLU 5 24.072 19.201 17.756 29 1HB GLU 5 HB2 GLU 5 23.741 22.162 17.465 30 2HB GLU 5 HB1 GLU 5 25.311 21.767 17.947 31 1HG GLU 5 HG2 GLU 5 24.459 20.096 15.660 32 2HG GLU 5 HG1 GLU 5 24.266 21.780 15.277 33 HA PRO 6 HA PRO 6 25.303 18.911 21.833 34 1HB PRO 6 HB2 PRO 6 27.925 18.355 21.607 35 2HB PRO 6 HB1 PRO 6 26.804 17.428 20.637 36 1HG PRO 6 HG2 PRO 6 28.219 20.084 19.783 37 2HG PRO 6 HG1 PRO 6 28.338 18.569 18.875 38 1HD PRO 6 HD2 PRO 6 26.608 20.495 18.291 39 2HD PRO 6 HD1 PRO 6 26.047 18.826 18.128 40 H TRP 7 HN TRP 7 26.330 21.549 20.290 41 HA TRP 7 HA TRP 7 27.993 22.654 22.432 42 1HB TRP 7 HB2 TRP 7 28.452 24.324 20.741 43 2HB TRP 7 HB1 TRP 7 28.673 22.684 20.106 44 HD1 TRP 7 HD1 TRP 7 28.617 24.322 17.890 45 HE1 TRP 7 HE1 TRP 7 26.637 24.980 16.425 46 HE3 TRP 7 HE3 TRP 7 24.824 22.884 20.778 47 HZ2 TRP 7 HZ2 TRP 7 23.822 24.929 16.442 48 HZ3 TRP 7 HZ3 TRP 7 22.546 23.096 20.096 49 HH2 TRP 7 HH2 TRP 7 21.959 24.156 17.908 50 H CYS 8 HN CYS 8 24.861 22.588 22.493 51 HA CYS 8 HA CYS 8 24.460 25.442 23.040 52 1HB CYS 8 HB2 CYS 8 22.633 24.063 22.009 53 2HB CYS 8 HB1 CYS 8 22.448 23.249 23.549 54 1HN NH2 9 1HN NH2 9 23.820 26.344 25.086 55 2HN NH2 9 2HN NH2 9 24.172 25.542 26.570 Start of MODEL 18 1 1H GLY 1 1H GLY 1 19.337 26.911 14.274 2 2H GLY 1 2H GLY 1 18.015 27.337 15.253 3 3H GLY 1 3H GLY 1 18.639 25.783 15.315 4 1HA GLY 1 HA2 GLY 1 20.762 27.487 15.918 5 2HA GLY 1 HA1 GLY 1 19.350 27.945 16.924 6 H CYS 2 HN CYS 2 19.338 26.709 18.804 7 HA CYS 2 HA CYS 2 20.333 23.892 18.671 8 1HB CYS 2 HB2 CYS 2 19.669 25.481 21.169 9 2HB CYS 2 HB1 CYS 2 20.674 24.074 21.075 10 HA HYP 3 HA HYP 3 19.906 22.193 20.397 11 1HB HYP 3 1HB HYP 3 18.873 20.481 21.520 12 2HB HYP 3 2HB HYP 3 18.238 19.864 20.008 13 1HD HYP 3 1HD HYP 3 16.292 23.419 20.898 14 2HD HYP 3 2HD HYP 3 16.034 22.558 19.384 15 HOD HYP 3 HOD HYP 3 15.952 21.167 22.661 16 HG HYP 3 HG HYP 3 16.080 20.556 20.658 17 H DTR 4 HN DTR 4 20.035 19.751 19.226 18 HA DTR 4 HA DTR 4 20.140 20.286 16.286 19 1HB DTR 4 HB1 DTR 4 20.020 17.591 16.389 20 2HB DTR 4 HB2 DTR 4 18.561 18.538 16.447 21 HD1 DTR 4 HD1 DTR 4 16.988 17.873 18.454 22 HE1 DTR 4 HE1 DTR 4 17.429 16.746 20.667 23 HZ2 DTR 4 HZ2 DTR 4 19.559 15.749 22.251 24 HH2 DTR 4 HH2 DTR 4 22.035 15.507 22.146 25 HZ3 DTR 4 HZ3 DTR 4 23.253 16.322 20.131 26 HE3 DTR 4 HE3 DTR 4 22.041 17.320 18.311 27 H GLU 5 HN GLU 5 22.310 20.690 18.412 28 HA GLU 5 HA GLU 5 24.238 18.601 17.676 29 1HB GLU 5 HB2 GLU 5 24.396 21.419 16.688 30 2HB GLU 5 HB1 GLU 5 25.864 20.908 17.408 31 1HG GLU 5 HG2 GLU 5 25.171 18.827 15.597 32 2HG GLU 5 HG1 GLU 5 24.766 20.302 14.772 33 HA PRO 6 HA PRO 6 25.317 19.128 21.803 34 1HB PRO 6 HB2 PRO 6 27.775 18.078 21.874 35 2HB PRO 6 HB1 PRO 6 26.476 17.149 21.076 36 1HG PRO 6 HG2 PRO 6 28.437 19.148 19.708 37 2HG PRO 6 HG1 PRO 6 28.209 17.491 19.191 38 1HD PRO 6 HD2 PRO 6 26.977 19.624 18.112 39 2HD PRO 6 HD1 PRO 6 26.099 18.066 18.195 40 H TRP 7 HN TRP 7 26.902 21.005 19.638 41 HA TRP 7 HA TRP 7 28.739 22.350 21.450 42 1HB TRP 7 HB2 TRP 7 29.550 23.308 19.390 43 2HB TRP 7 HB1 TRP 7 29.377 21.590 19.233 44 HD1 TRP 7 HD1 TRP 7 29.670 22.506 16.676 45 HE1 TRP 7 HE1 TRP 7 27.882 23.096 14.989 46 HE3 TRP 7 HE3 TRP 7 25.716 22.822 19.617 47 HZ2 TRP 7 HZ2 TRP 7 25.111 23.704 14.837 48 HZ3 TRP 7 HZ3 TRP 7 23.534 23.350 18.826 49 HH2 TRP 7 HH2 TRP 7 23.153 23.845 16.385 50 H CYS 8 HN CYS 8 25.777 22.772 21.561 51 HA CYS 8 HA CYS 8 25.245 25.526 20.944 52 1HB CYS 8 HB2 CYS 8 23.492 23.725 21.512 53 2HB CYS 8 HB1 CYS 8 23.984 23.903 23.197 54 1HN NH2 9 1HN NH2 9 25.324 27.355 22.425 55 2HN NH2 9 2HN NH2 9 26.346 27.345 23.790 Start of MODEL 19 1 1H GLY 1 1H GLY 1 15.200 26.094 17.560 2 2H GLY 1 2H GLY 1 15.837 24.524 17.568 3 3H GLY 1 3H GLY 1 15.873 25.425 16.177 4 1HA GLY 1 HA2 GLY 1 17.857 26.214 16.668 5 2HA GLY 1 HA1 GLY 1 17.213 26.904 18.171 6 H CYS 2 HN CYS 2 17.190 25.545 20.081 7 HA CYS 2 HA CYS 2 18.909 23.112 19.863 8 1HB CYS 2 HB2 CYS 2 18.603 24.975 22.233 9 2HB CYS 2 HB1 CYS 2 19.713 23.645 22.093 10 HA HYP 3 HA HYP 3 19.249 21.303 21.167 11 1HB HYP 3 1HB HYP 3 18.877 19.402 22.346 12 2HB HYP 3 2HB HYP 3 18.193 18.698 20.926 13 1HD HYP 3 1HD HYP 3 15.666 21.472 22.681 14 2HD HYP 3 2HD HYP 3 15.275 20.888 21.051 15 HOD HYP 3 HOD HYP 3 16.874 20.462 23.858 16 HG HYP 3 HG HYP 3 16.043 18.748 21.801 17 H DTR 4 HN DTR 4 19.554 19.084 19.758 18 HA DTR 4 HA DTR 4 19.182 19.801 16.905 19 1HB DTR 4 HB1 DTR 4 19.296 17.081 16.824 20 2HB DTR 4 HB2 DTR 4 17.751 17.888 16.999 21 HD1 DTR 4 HD1 DTR 4 16.352 17.184 19.131 22 HE1 DTR 4 HE1 DTR 4 16.995 16.048 21.268 23 HZ2 DTR 4 HZ2 DTR 4 19.301 15.045 22.686 24 HH2 DTR 4 HH2 DTR 4 21.747 14.866 22.342 25 HZ3 DTR 4 HZ3 DTR 4 22.779 15.757 20.249 26 HE3 DTR 4 HE3 DTR 4 21.371 16.737 18.542 27 H GLU 5 HN GLU 5 21.318 20.301 18.913 28 HA GLU 5 HA GLU 5 23.407 18.427 18.078 29 1HB GLU 5 HB2 GLU 5 23.172 21.199 17.153 30 2HB GLU 5 HB1 GLU 5 24.707 20.922 17.895 31 1HG GLU 5 HG2 GLU 5 25.342 20.319 15.854 32 2HG GLU 5 HG1 GLU 5 24.564 18.762 16.183 33 HA PRO 6 HA PRO 6 24.778 18.872 22.138 34 1HB PRO 6 HB2 PRO 6 27.305 18.054 21.945 35 2HB PRO 6 HB1 PRO 6 26.043 17.054 21.173 36 1HG PRO 6 HG2 PRO 6 27.642 19.354 19.812 37 2HG PRO 6 HG1 PRO 6 27.608 17.700 19.218 38 1HD PRO 6 HD2 PRO 6 26.012 19.663 18.302 39 2HD PRO 6 HD1 PRO 6 25.337 18.008 18.447 40 H TRP 7 HN TRP 7 25.884 21.095 19.959 41 HA TRP 7 HA TRP 7 27.838 22.387 21.736 42 1HB TRP 7 HB2 TRP 7 28.171 23.801 19.737 43 2HB TRP 7 HB1 TRP 7 28.420 22.104 19.447 44 HD1 TRP 7 HD1 TRP 7 28.279 22.965 16.902 45 HE1 TRP 7 HE1 TRP 7 26.326 23.354 15.388 46 HE3 TRP 7 HE3 TRP 7 24.627 22.754 20.195 47 HZ2 TRP 7 HZ2 TRP 7 23.504 23.493 15.458 48 HZ3 TRP 7 HZ3 TRP 7 22.289 22.975 19.579 49 HH2 TRP 7 HH2 TRP 7 21.675 23.397 17.181 50 H CYS 8 HN CYS 8 24.750 22.555 22.005 51 HA CYS 8 HA CYS 8 24.524 25.493 22.156 52 1HB CYS 8 HB2 CYS 8 22.615 23.824 21.530 53 2HB CYS 8 HB1 CYS 8 22.446 23.612 23.245 54 1HN NH2 9 1HN NH2 9 24.182 26.653 24.177 55 2HN NH2 9 2HN NH2 9 24.670 25.987 25.663 Start of MODEL 20 1 1H GLY 1 1H GLY 1 18.165 15.566 25.709 2 2H GLY 1 2H GLY 1 16.605 16.135 25.490 3 3H GLY 1 3H GLY 1 17.914 17.221 25.446 4 1HA GLY 1 HA2 GLY 1 18.466 15.260 23.562 5 2HA GLY 1 HA1 GLY 1 16.782 15.771 23.318 6 H CYS 2 HN CYS 2 17.473 16.904 21.346 7 HA CYS 2 HA CYS 2 18.900 19.462 21.899 8 1HB CYS 2 HB2 CYS 2 18.591 18.047 19.218 9 2HB CYS 2 HB1 CYS 2 19.655 19.379 19.573 10 HA HYP 3 HA HYP 3 18.908 21.424 20.290 11 1HB HYP 3 1HB HYP 3 18.119 23.342 19.351 12 2HB HYP 3 2HB HYP 3 17.629 23.900 20.963 13 1HD HYP 3 1HD HYP 3 15.275 20.882 19.358 14 2HD HYP 3 2HD HYP 3 14.937 21.307 21.013 15 HOD HYP 3 HOD HYP 3 15.126 23.500 18.348 16 HG HYP 3 HG HYP 3 15.378 23.580 20.428 17 H DTR 4 HN DTR 4 19.397 23.563 21.707 18 HA DTR 4 HA DTR 4 19.375 22.775 24.573 19 1HB DTR 4 HB1 DTR 4 19.667 25.416 24.762 20 2HB DTR 4 HB2 DTR 4 18.088 24.759 24.519 21 HD1 DTR 4 HD1 DTR 4 16.791 25.983 22.644 22 HE1 DTR 4 HE1 DTR 4 17.515 27.214 20.584 23 HZ2 DTR 4 HZ2 DTR 4 19.818 27.927 19.113 24 HH2 DTR 4 HH2 DTR 4 22.276 27.621 19.212 25 HZ3 DTR 4 HZ3 DTR 4 23.296 26.353 21.107 26 HE3 DTR 4 HE3 DTR 4 21.877 25.470 22.810 27 H GLU 5 HN GLU 5 21.468 22.239 22.380 28 HA GLU 5 HA GLU 5 23.673 23.909 23.318 29 1HB GLU 5 HB2 GLU 5 23.473 20.956 23.767 30 2HB GLU 5 HB1 GLU 5 25.034 21.608 23.859 31 1HG GLU 5 HG2 GLU 5 23.884 23.282 25.643 32 2HG GLU 5 HG1 GLU 5 22.601 22.072 25.608 33 HA PRO 6 HA PRO 6 25.032 23.663 19.288 34 1HB PRO 6 HB2 PRO 6 27.487 24.578 19.543 35 2HB PRO 6 HB1 PRO 6 26.196 25.441 20.415 36 1HG PRO 6 HG2 PRO 6 27.962 23.102 21.525 37 2HG PRO 6 HG1 PRO 6 27.782 24.681 22.311 38 1HD PRO 6 HD2 PRO 6 26.362 22.436 22.905 39 2HD PRO 6 HD1 PRO 6 25.640 24.053 23.122 40 H TRP 7 HN TRP 7 26.064 21.339 21.238 41 HA TRP 7 HA TRP 7 28.061 20.126 19.482 42 1HB TRP 7 HB2 TRP 7 28.498 18.782 21.457 43 2HB TRP 7 HB1 TRP 7 28.573 20.478 21.806 44 HD1 TRP 7 HD1 TRP 7 28.522 19.341 24.287 45 HE1 TRP 7 HE1 TRP 7 26.555 18.796 25.754 46 HE3 TRP 7 HE3 TRP 7 24.848 19.726 21.023 47 HZ2 TRP 7 HZ2 TRP 7 23.722 18.467 25.627 48 HZ3 TRP 7 HZ3 TRP 7 22.531 19.324 21.606 49 HH2 TRP 7 HH2 TRP 7 21.901 18.656 23.938 50 H CYS 8 HN CYS 8 24.988 20.047 19.195 51 HA CYS 8 HA CYS 8 24.550 17.130 18.987 52 1HB CYS 8 HB2 CYS 8 22.759 18.990 19.576 53 2HB CYS 8 HB1 CYS 8 22.683 19.238 17.862 54 1HN NH2 9 1HN NH2 9 25.498 19.765 16.915 55 2HN NH2 9 2HN NH2 9 25.549 18.872 15.475
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