NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10300 | 1pis | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 17 H/Q atoms Start of MODEL 1 1 CH2 TRP 3 CH2 TRP 3 8.696 5.254 11.160 2 NH1 ARG 6 NH2 ARG 6 -1.450 4.054 12.417 3 NH2 ARG 6 NH1 ARG 6 0.120 5.403 13.356 4 OH TYR 25 OH TYR 25 -8.709 1.043 0.623 5 OH TYR 28 OH TYR 28 -6.008 -9.821 -6.865 6 NH1 ARG 43 NH2 ARG 43 -3.054 -5.560 -10.015 7 NH2 ARG 43 NH1 ARG 43 -3.658 -7.623 -10.752 8 OH TYR 52 OH TYR 52 5.914 -0.736 3.242 9 NH1 ARG 53 NH2 ARG 53 5.159 -14.664 0.032 10 NH2 ARG 53 NH1 ARG 53 6.308 -15.386 -1.793 11 OH TYR 69 OH TYR 69 5.721 -6.901 5.988 12 OH TYR 73 OH TYR 73 7.635 2.273 2.525 13 OH TYR 75 OH TYR 75 2.999 12.744 3.105 14 NH1 ARG 100 NH2 ARG 100 6.392 3.476 -8.400 15 NH2 ARG 100 NH1 ARG 100 6.024 4.704 -10.272 16 OH TYR 111 OH TYR 111 -15.069 4.096 3.512 17 OH TYR 123 OH TYR 123 -22.281 -8.466 -0.697 Start of MODEL 2 Raw file had 17 H/Q atoms Start of MODEL 2 1 CH2 TRP 3 CH2 TRP 3 8.920 5.778 11.060 2 NH1 ARG 6 NH2 ARG 6 -0.892 4.313 12.451 3 NH2 ARG 6 NH1 ARG 6 0.861 5.592 13.126 4 OH TYR 25 OH TYR 25 -8.262 1.532 0.648 5 OH TYR 28 OH TYR 28 -6.320 -10.264 -7.066 6 NH1 ARG 43 NH2 ARG 43 -7.040 -4.391 -11.824 7 NH2 ARG 43 NH1 ARG 43 -5.674 -6.099 -12.445 8 OH TYR 52 OH TYR 52 4.064 -0.353 2.628 9 NH1 ARG 53 NH2 ARG 53 4.207 -14.023 0.997 10 NH2 ARG 53 NH1 ARG 53 5.105 -12.444 2.359 11 OH TYR 69 OH TYR 69 6.269 -6.019 3.971 12 OH TYR 73 OH TYR 73 7.726 2.270 2.333 13 OH TYR 75 OH TYR 75 2.985 12.871 3.029 14 NH1 ARG 100 NH2 ARG 100 5.003 7.721 -8.787 15 NH2 ARG 100 NH1 ARG 100 5.468 6.151 -10.363 16 OH TYR 111 OH TYR 111 -15.029 3.888 3.716 17 OH TYR 123 OH TYR 123 -21.793 -9.465 -0.634 Start of MODEL 3 Raw file had 17 H/Q atoms Start of MODEL 3 1 CH2 TRP 3 CH2 TRP 3 8.646 6.386 11.311 2 NH1 ARG 6 NH2 ARG 6 -0.940 3.996 12.110 3 NH2 ARG 6 NH1 ARG 6 0.852 5.197 12.818 4 OH TYR 25 OH TYR 25 -8.797 1.116 0.613 5 OH TYR 28 OH TYR 28 -6.074 -9.806 -6.909 6 NH1 ARG 43 NH2 ARG 43 -5.655 -1.938 -8.956 7 NH2 ARG 43 NH1 ARG 43 -6.688 -1.790 -10.971 8 OH TYR 52 OH TYR 52 4.256 -0.859 2.829 9 NH1 ARG 53 NH2 ARG 53 3.520 -14.543 -2.805 10 NH2 ARG 53 NH1 ARG 53 5.545 -15.572 -2.910 11 OH TYR 69 OH TYR 69 7.197 -6.472 3.589 12 OH TYR 73 OH TYR 73 7.391 2.288 2.600 13 OH TYR 75 OH TYR 75 2.983 12.406 2.957 14 NH1 ARG 100 NH2 ARG 100 8.748 6.616 -8.034 15 NH2 ARG 100 NH1 ARG 100 7.935 5.231 -9.642 16 OH TYR 111 OH TYR 111 -15.110 4.016 3.778 17 OH TYR 123 OH TYR 123 -22.405 -8.967 -0.214 Start of MODEL 4 Raw file had 17 H/Q atoms Start of MODEL 4 1 CH2 TRP 3 CH2 TRP 3 8.641 6.127 11.107 2 NH1 ARG 6 NH2 ARG 6 -1.242 4.646 12.198 3 NH2 ARG 6 NH1 ARG 6 0.489 5.901 12.967 4 OH TYR 25 OH TYR 25 -9.171 1.240 0.662 5 OH TYR 28 OH TYR 28 -5.782 -9.746 -7.033 6 NH1 ARG 43 NH2 ARG 43 -3.043 -5.287 -10.188 7 NH2 ARG 43 NH1 ARG 43 -3.541 -7.387 -10.900 8 OH TYR 52 OH TYR 52 5.885 -0.052 3.075 9 NH1 ARG 53 NH2 ARG 53 4.001 -14.521 -0.348 10 NH2 ARG 53 NH1 ARG 53 5.463 -15.223 -1.941 11 OH TYR 69 OH TYR 69 6.381 -6.374 5.664 12 OH TYR 73 OH TYR 73 7.266 2.407 2.664 13 OH TYR 75 OH TYR 75 3.440 13.175 2.921 14 NH1 ARG 100 NH2 ARG 100 5.043 7.915 -8.977 15 NH2 ARG 100 NH1 ARG 100 5.496 6.407 -10.616 16 OH TYR 111 OH TYR 111 -14.872 3.226 3.316 17 OH TYR 123 OH TYR 123 -21.991 -9.109 -0.411 Start of MODEL 5 Raw file had 17 H/Q atoms Start of MODEL 5 1 CH2 TRP 3 CH2 TRP 3 8.712 6.031 11.347 2 NH1 ARG 6 NH2 ARG 6 -0.367 2.044 10.936 3 NH2 ARG 6 NH1 ARG 6 -1.616 0.667 9.625 4 OH TYR 25 OH TYR 25 -8.642 1.129 0.804 5 OH TYR 28 OH TYR 28 -5.921 -9.563 -7.194 6 NH1 ARG 43 NH2 ARG 43 -3.259 -5.134 -10.346 7 NH2 ARG 43 NH1 ARG 43 -3.838 -7.173 -11.168 8 OH TYR 52 OH TYR 52 6.366 -0.481 3.167 9 NH1 ARG 53 NH2 ARG 53 5.199 -15.234 -1.219 10 NH2 ARG 53 NH1 ARG 53 2.954 -15.136 -0.900 11 OH TYR 69 OH TYR 69 5.713 -6.618 6.074 12 OH TYR 73 OH TYR 73 7.747 2.584 2.549 13 OH TYR 75 OH TYR 75 3.084 12.974 2.955 14 NH1 ARG 100 NH2 ARG 100 8.222 6.581 -8.899 15 NH2 ARG 100 NH1 ARG 100 6.932 5.517 -10.440 16 OH TYR 111 OH TYR 111 -15.178 3.804 3.739 17 OH TYR 123 OH TYR 123 -21.971 -8.745 -0.579 Start of MODEL 6 Raw file had 17 H/Q atoms Start of MODEL 6 1 CH2 TRP 3 CH2 TRP 3 8.824 6.773 10.919 2 NH1 ARG 6 NH2 ARG 6 -0.896 5.184 12.233 3 NH2 ARG 6 NH1 ARG 6 0.916 6.469 12.703 4 OH TYR 25 OH TYR 25 -8.691 1.253 0.821 5 OH TYR 28 OH TYR 28 -5.637 -9.673 -7.157 6 NH1 ARG 43 NH2 ARG 43 -3.616 -4.650 -11.092 7 NH2 ARG 43 NH1 ARG 43 -3.914 -6.844 -11.611 8 OH TYR 52 OH TYR 52 4.771 -0.456 3.059 9 NH1 ARG 53 NH2 ARG 53 4.619 -14.529 -0.206 10 NH2 ARG 53 NH1 ARG 53 6.143 -13.376 1.026 11 OH TYR 69 OH TYR 69 7.376 -5.577 3.852 12 OH TYR 73 OH TYR 73 7.559 2.697 2.612 13 OH TYR 75 OH TYR 75 3.432 13.209 2.846 14 NH1 ARG 100 NH2 ARG 100 4.640 7.667 -9.104 15 NH2 ARG 100 NH1 ARG 100 5.152 6.055 -10.623 16 OH TYR 111 OH TYR 111 -14.860 3.151 3.349 17 OH TYR 123 OH TYR 123 -21.837 -9.213 -0.412 Start of MODEL 7 Raw file had 17 H/Q atoms Start of MODEL 7 1 CH2 TRP 3 CH2 TRP 3 8.918 5.496 11.378 2 NH1 ARG 6 NH2 ARG 6 -1.029 4.310 12.307 3 NH2 ARG 6 NH1 ARG 6 0.688 5.621 13.007 4 OH TYR 25 OH TYR 25 -8.719 1.210 0.659 5 OH TYR 28 OH TYR 28 -5.896 -9.732 -7.110 6 NH1 ARG 43 NH2 ARG 43 -5.934 -8.039 -9.751 7 NH2 ARG 43 NH1 ARG 43 -5.469 -7.462 -11.893 8 OH TYR 52 OH TYR 52 4.514 -0.995 3.056 9 NH1 ARG 53 NH2 ARG 53 5.133 -15.231 -0.901 10 NH2 ARG 53 NH1 ARG 53 2.918 -14.970 -0.483 11 OH TYR 69 OH TYR 69 7.586 -6.500 4.056 12 OH TYR 73 OH TYR 73 7.327 2.357 2.700 13 OH TYR 75 OH TYR 75 3.167 12.702 3.008 14 NH1 ARG 100 NH2 ARG 100 5.034 7.671 -8.863 15 NH2 ARG 100 NH1 ARG 100 5.569 6.113 -10.429 16 OH TYR 111 OH TYR 111 -14.816 3.364 3.103 17 OH TYR 123 OH TYR 123 -22.024 -8.445 -0.661 Start of MODEL 8 Raw file had 17 H/Q atoms Start of MODEL 8 1 CH2 TRP 3 CH2 TRP 3 7.874 7.059 12.064 2 NH1 ARG 6 NH2 ARG 6 -1.581 4.826 12.194 3 NH2 ARG 6 NH1 ARG 6 0.245 5.979 12.896 4 OH TYR 25 OH TYR 25 -8.628 1.210 0.589 5 OH TYR 28 OH TYR 28 -5.727 -9.476 -7.105 6 NH1 ARG 43 NH2 ARG 43 -3.974 -4.713 -11.451 7 NH2 ARG 43 NH1 ARG 43 -4.243 -6.933 -11.865 8 OH TYR 52 OH TYR 52 4.473 -0.767 3.227 9 NH1 ARG 53 NH2 ARG 53 4.966 -15.067 -0.727 10 NH2 ARG 53 NH1 ARG 53 2.806 -14.728 -0.118 11 OH TYR 69 OH TYR 69 6.805 -5.419 3.942 12 OH TYR 73 OH TYR 73 7.208 2.069 2.962 13 OH TYR 75 OH TYR 75 3.089 12.700 3.092 14 NH1 ARG 100 NH2 ARG 100 4.895 6.591 -9.001 15 NH2 ARG 100 NH1 ARG 100 6.117 4.972 -10.028 16 OH TYR 111 OH TYR 111 -15.247 3.868 3.560 17 OH TYR 123 OH TYR 123 -21.888 -9.023 -0.417 Start of MODEL 9 Raw file had 17 H/Q atoms Start of MODEL 9 1 CH2 TRP 3 CH2 TRP 3 8.922 6.976 11.047 2 NH1 ARG 6 NH2 ARG 6 0.840 1.865 9.519 3 NH2 ARG 6 NH1 ARG 6 -1.120 0.813 9.058 4 OH TYR 25 OH TYR 25 -8.524 1.140 0.868 5 OH TYR 28 OH TYR 28 -5.832 -9.915 -6.881 6 NH1 ARG 43 NH2 ARG 43 -3.105 -5.904 -9.914 7 NH2 ARG 43 NH1 ARG 43 -3.767 -7.958 -10.627 8 OH TYR 52 OH TYR 52 5.153 -0.167 3.073 9 NH1 ARG 53 NH2 ARG 53 5.456 -14.795 -0.698 10 NH2 ARG 53 NH1 ARG 53 3.221 -14.823 -0.319 11 OH TYR 69 OH TYR 69 6.735 -5.834 3.670 12 OH TYR 73 OH TYR 73 7.230 2.372 2.914 13 OH TYR 75 OH TYR 75 3.358 13.404 2.846 14 NH1 ARG 100 NH2 ARG 100 8.167 7.202 -8.576 15 NH2 ARG 100 NH1 ARG 100 7.503 5.493 -9.920 16 OH TYR 111 OH TYR 111 -14.888 2.943 3.288 17 OH TYR 123 OH TYR 123 -21.773 -8.527 -0.755 Start of MODEL 10 Raw file had 17 H/Q atoms Start of MODEL 10 1 CH2 TRP 3 CH2 TRP 3 8.474 5.620 11.685 2 NH1 ARG 6 NH2 ARG 6 0.113 0.972 9.676 3 NH2 ARG 6 NH1 ARG 6 -1.167 0.224 7.955 4 OH TYR 25 OH TYR 25 -9.235 1.073 0.614 5 OH TYR 28 OH TYR 28 -5.935 -9.864 -6.733 6 NH1 ARG 43 NH2 ARG 43 -3.126 -5.477 -9.950 7 NH2 ARG 43 NH1 ARG 43 -3.641 -7.576 -10.654 8 OH TYR 52 OH TYR 52 4.669 -0.412 3.096 9 NH1 ARG 53 NH2 ARG 53 3.486 -14.286 -2.729 10 NH2 ARG 53 NH1 ARG 53 5.569 -15.196 -2.767 11 OH TYR 69 OH TYR 69 7.773 -6.166 3.340 12 OH TYR 73 OH TYR 73 7.567 2.200 2.601 13 OH TYR 75 OH TYR 75 3.201 12.709 3.323 14 NH1 ARG 100 NH2 ARG 100 4.813 6.773 -8.962 15 NH2 ARG 100 NH1 ARG 100 6.111 5.237 -10.023 16 OH TYR 111 OH TYR 111 -15.655 4.165 3.068 17 OH TYR 123 OH TYR 123 -22.229 -8.553 -0.856 Start of MODEL 11 Raw file had 17 H/Q atoms Start of MODEL 11 1 CH2 TRP 3 CH2 TRP 3 9.038 5.648 10.830 2 NH1 ARG 6 NH2 ARG 6 0.645 1.277 9.624 3 NH2 ARG 6 NH1 ARG 6 -0.590 0.509 7.885 4 OH TYR 25 OH TYR 25 -9.281 1.249 0.810 5 OH TYR 28 OH TYR 28 -6.063 -9.648 -7.188 6 NH1 ARG 43 NH2 ARG 43 -3.401 -5.096 -10.552 7 NH2 ARG 43 NH1 ARG 43 -4.060 -7.063 -11.482 8 OH TYR 52 OH TYR 52 4.175 -0.662 2.644 9 NH1 ARG 53 NH2 ARG 53 4.672 -15.276 -0.567 10 NH2 ARG 53 NH1 ARG 53 2.416 -15.075 -0.457 11 OH TYR 69 OH TYR 69 6.677 -6.155 3.140 12 OH TYR 73 OH TYR 73 7.257 2.039 2.569 13 OH TYR 75 OH TYR 75 3.596 12.968 3.073 14 NH1 ARG 100 NH2 ARG 100 7.968 7.045 -8.802 15 NH2 ARG 100 NH1 ARG 100 7.137 5.478 -10.225 16 OH TYR 111 OH TYR 111 -15.077 3.205 3.263 17 OH TYR 123 OH TYR 123 -22.306 -8.568 -0.646 Start of MODEL 12 Raw file had 17 H/Q atoms Start of MODEL 12 1 CH2 TRP 3 CH2 TRP 3 8.515 7.408 10.845 2 NH1 ARG 6 NH2 ARG 6 -0.625 4.486 12.297 3 NH2 ARG 6 NH1 ARG 6 1.058 5.900 12.869 4 OH TYR 25 OH TYR 25 -8.358 0.852 0.630 5 OH TYR 28 OH TYR 28 -5.811 -9.898 -6.860 6 NH1 ARG 43 NH2 ARG 43 -3.172 -5.425 -10.328 7 NH2 ARG 43 NH1 ARG 43 -3.732 -7.472 -11.146 8 OH TYR 52 OH TYR 52 5.121 -0.440 3.135 9 NH1 ARG 53 NH2 ARG 53 4.744 -14.454 0.058 10 NH2 ARG 53 NH1 ARG 53 6.243 -15.270 -1.444 11 OH TYR 69 OH TYR 69 6.649 -6.294 4.224 12 OH TYR 73 OH TYR 73 7.777 2.584 2.455 13 OH TYR 75 OH TYR 75 2.838 12.771 2.952 14 NH1 ARG 100 NH2 ARG 100 4.873 7.815 -8.779 15 NH2 ARG 100 NH1 ARG 100 5.692 6.267 -10.229 16 OH TYR 111 OH TYR 111 -13.887 4.402 3.523 17 OH TYR 123 OH TYR 123 -22.141 -8.809 -0.633 Start of MODEL 13 Raw file had 17 H/Q atoms Start of MODEL 13 1 CH2 TRP 3 CH2 TRP 3 8.641 6.022 11.641 2 NH1 ARG 6 NH2 ARG 6 -1.230 4.067 12.357 3 NH2 ARG 6 NH1 ARG 6 0.416 5.384 13.205 4 OH TYR 25 OH TYR 25 -8.369 1.152 0.591 5 OH TYR 28 OH TYR 28 -5.847 -9.419 -6.957 6 NH1 ARG 43 NH2 ARG 43 -3.862 -5.303 -11.164 7 NH2 ARG 43 NH1 ARG 43 -4.490 -7.442 -11.609 8 OH TYR 52 OH TYR 52 5.910 -0.311 3.023 9 NH1 ARG 53 NH2 ARG 53 4.757 -15.156 -0.119 10 NH2 ARG 53 NH1 ARG 53 2.503 -14.917 -0.020 11 OH TYR 69 OH TYR 69 6.584 -6.490 5.075 12 OH TYR 73 OH TYR 73 7.703 2.274 2.415 13 OH TYR 75 OH TYR 75 2.958 12.861 3.242 14 NH1 ARG 100 NH2 ARG 100 8.001 7.113 -8.671 15 NH2 ARG 100 NH1 ARG 100 7.197 5.548 -10.111 16 OH TYR 111 OH TYR 111 -14.935 4.140 3.439 17 OH TYR 123 OH TYR 123 -22.236 -8.916 -0.910 Start of MODEL 14 Raw file had 17 H/Q atoms Start of MODEL 14 1 CH2 TRP 3 CH2 TRP 3 9.213 5.542 11.422 2 NH1 ARG 6 NH2 ARG 6 -0.713 4.099 12.202 3 NH2 ARG 6 NH1 ARG 6 0.995 5.409 12.925 4 OH TYR 25 OH TYR 25 -8.746 1.209 0.652 5 OH TYR 28 OH TYR 28 -5.929 -9.642 -7.261 6 NH1 ARG 43 NH2 ARG 43 -6.814 -5.552 -12.141 7 NH2 ARG 43 NH1 ARG 43 -5.345 -7.287 -12.098 8 OH TYR 52 OH TYR 52 4.751 -0.551 2.715 9 NH1 ARG 53 NH2 ARG 53 4.909 -15.205 -1.496 10 NH2 ARG 53 NH1 ARG 53 2.781 -14.966 -0.747 11 OH TYR 69 OH TYR 69 8.405 -6.198 3.077 12 OH TYR 73 OH TYR 73 7.695 2.293 2.245 13 OH TYR 75 OH TYR 75 3.335 12.813 2.869 14 NH1 ARG 100 NH2 ARG 100 6.481 3.416 -8.628 15 NH2 ARG 100 NH1 ARG 100 5.894 4.483 -10.546 16 OH TYR 111 OH TYR 111 -15.158 3.970 3.486 17 OH TYR 123 OH TYR 123 -21.847 -8.587 -0.429 Start of MODEL 15 Raw file had 17 H/Q atoms Start of MODEL 15 1 CH2 TRP 3 CH2 TRP 3 8.172 7.048 11.527 2 NH1 ARG 6 NH2 ARG 6 0.822 1.271 9.818 3 NH2 ARG 6 NH1 ARG 6 -0.507 0.036 8.447 4 OH TYR 25 OH TYR 25 -8.762 1.257 0.931 5 OH TYR 28 OH TYR 28 -5.704 -9.536 -7.066 6 NH1 ARG 43 NH2 ARG 43 -3.187 -5.069 -10.367 7 NH2 ARG 43 NH1 ARG 43 -3.799 -7.074 -11.247 8 OH TYR 52 OH TYR 52 5.277 -0.791 2.737 9 NH1 ARG 53 NH2 ARG 53 4.903 -15.437 -1.916 10 NH2 ARG 53 NH1 ARG 53 2.781 -15.167 -1.161 11 OH TYR 69 OH TYR 69 8.481 -6.181 3.425 12 OH TYR 73 OH TYR 73 8.014 2.348 2.078 13 OH TYR 75 OH TYR 75 3.403 12.684 2.969 14 NH1 ARG 100 NH2 ARG 100 4.671 7.680 -9.295 15 NH2 ARG 100 NH1 ARG 100 5.430 6.123 -10.767 16 OH TYR 111 OH TYR 111 -15.016 3.074 3.357 17 OH TYR 123 OH TYR 123 -21.999 -8.841 -0.554 Start of MODEL 16 Raw file had 17 H/Q atoms Start of MODEL 16 1 CH2 TRP 3 CH2 TRP 3 8.808 6.293 10.717 2 NH1 ARG 6 NH2 ARG 6 -0.766 4.095 12.150 3 NH2 ARG 6 NH1 ARG 6 0.821 5.526 12.920 4 OH TYR 25 OH TYR 25 -8.932 1.156 0.683 5 OH TYR 28 OH TYR 28 -5.688 -9.537 -7.006 6 NH1 ARG 43 NH2 ARG 43 -3.247 -4.976 -10.524 7 NH2 ARG 43 NH1 ARG 43 -3.784 -7.013 -11.378 8 OH TYR 52 OH TYR 52 6.042 -0.532 2.849 9 NH1 ARG 53 NH2 ARG 53 4.150 -14.386 -0.316 10 NH2 ARG 53 NH1 ARG 53 5.565 -13.235 1.040 11 OH TYR 69 OH TYR 69 6.686 -6.514 5.719 12 OH TYR 73 OH TYR 73 8.080 2.613 1.968 13 OH TYR 75 OH TYR 75 2.793 13.099 3.024 14 NH1 ARG 100 NH2 ARG 100 4.937 7.992 -8.942 15 NH2 ARG 100 NH1 ARG 100 5.537 6.482 -10.530 16 OH TYR 111 OH TYR 111 -15.038 3.379 3.354 17 OH TYR 123 OH TYR 123 -21.836 -8.719 -0.129 Start of MODEL 17 Raw file had 17 H/Q atoms Start of MODEL 17 1 CH2 TRP 3 CH2 TRP 3 8.936 5.498 11.478 2 NH1 ARG 6 NH2 ARG 6 0.296 0.806 9.412 3 NH2 ARG 6 NH1 ARG 6 -1.041 0.218 7.673 4 OH TYR 25 OH TYR 25 -8.474 1.219 0.730 5 OH TYR 28 OH TYR 28 -6.234 -9.777 -7.340 6 NH1 ARG 43 NH2 ARG 43 -3.396 -5.244 -10.479 7 NH2 ARG 43 NH1 ARG 43 -4.088 -7.194 -11.418 8 OH TYR 52 OH TYR 52 4.922 -0.636 2.594 9 NH1 ARG 53 NH2 ARG 53 5.115 -15.222 -0.707 10 NH2 ARG 53 NH1 ARG 53 2.873 -15.070 -0.394 11 OH TYR 69 OH TYR 69 8.121 -6.387 5.014 12 OH TYR 73 OH TYR 73 8.107 2.350 1.797 13 OH TYR 75 OH TYR 75 3.040 12.709 3.189 14 NH1 ARG 100 NH2 ARG 100 4.522 7.515 -9.113 15 NH2 ARG 100 NH1 ARG 100 5.617 6.039 -10.452 16 OH TYR 111 OH TYR 111 -14.604 3.319 3.461 17 OH TYR 123 OH TYR 123 -22.019 -8.363 -0.083 Start of MODEL 18 Raw file had 17 H/Q atoms Start of MODEL 18 1 CH2 TRP 3 CH2 TRP 3 8.699 6.035 11.175 2 NH1 ARG 6 NH2 ARG 6 -1.060 1.728 9.851 3 NH2 ARG 6 NH1 ARG 6 -1.193 0.956 7.728 4 OH TYR 25 OH TYR 25 -8.527 1.023 0.607 5 OH TYR 28 OH TYR 28 -5.644 -10.157 -6.408 6 NH1 ARG 43 NH2 ARG 43 -3.749 -5.283 -10.980 7 NH2 ARG 43 NH1 ARG 43 -4.090 -7.498 -11.370 8 OH TYR 52 OH TYR 52 6.768 -0.579 3.186 9 NH1 ARG 53 NH2 ARG 53 3.073 -13.023 -5.546 10 NH2 ARG 53 NH1 ARG 53 1.671 -13.858 -3.970 11 OH TYR 69 OH TYR 69 5.733 -6.630 6.258 12 OH TYR 73 OH TYR 73 8.142 2.703 2.135 13 OH TYR 75 OH TYR 75 2.603 13.232 2.988 14 NH1 ARG 100 NH2 ARG 100 6.440 3.683 -8.278 15 NH2 ARG 100 NH1 ARG 100 6.098 4.955 -10.128 16 OH TYR 111 OH TYR 111 -14.186 4.558 3.269 17 OH TYR 123 OH TYR 123 -21.940 -9.594 -0.210 Start of MODEL 19 Raw file had 17 H/Q atoms Start of MODEL 19 1 CH2 TRP 3 CH2 TRP 3 8.499 6.426 11.545 2 NH1 ARG 6 NH2 ARG 6 -1.002 4.352 12.175 3 NH2 ARG 6 NH1 ARG 6 0.807 5.580 12.786 4 OH TYR 25 OH TYR 25 -8.740 1.249 0.528 5 OH TYR 28 OH TYR 28 -6.125 -10.102 -7.151 6 NH1 ARG 43 NH2 ARG 43 -3.666 -4.950 -10.989 7 NH2 ARG 43 NH1 ARG 43 -4.064 -7.110 -11.580 8 OH TYR 52 OH TYR 52 4.317 -0.826 2.900 9 NH1 ARG 53 NH2 ARG 53 3.737 -14.591 -2.929 10 NH2 ARG 53 NH1 ARG 53 5.817 -15.478 -3.164 11 OH TYR 69 OH TYR 69 7.065 -6.452 3.830 12 OH TYR 73 OH TYR 73 7.369 2.245 2.665 13 OH TYR 75 OH TYR 75 2.948 12.611 3.089 14 NH1 ARG 100 NH2 ARG 100 4.960 6.782 -8.968 15 NH2 ARG 100 NH1 ARG 100 6.212 5.175 -9.977 16 OH TYR 111 OH TYR 111 -14.827 3.456 3.218 17 OH TYR 123 OH TYR 123 -22.036 -8.234 -0.309 Start of MODEL 20 Start of MODEL 20 1 CH2 TRP 3 CH2 TRP 3 8.897 5.577 10.889 2 NH1 ARG 6 NH2 ARG 6 -0.176 0.928 9.966 3 NH2 ARG 6 NH1 ARG 6 -1.251 0.255 8.082 4 OH TYR 25 OH TYR 25 -8.335 1.012 0.581 5 OH TYR 28 OH TYR 28 -6.092 -10.052 -6.673 6 NH1 ARG 43 NH2 ARG 43 -6.067 -1.838 -8.732 7 NH2 ARG 43 NH1 ARG 43 -7.221 -1.668 -10.679 8 OH TYR 52 OH TYR 52 5.846 -0.172 3.030 9 NH1 ARG 53 NH2 ARG 53 5.411 -14.262 1.163 10 NH2 ARG 53 NH1 ARG 53 6.580 -15.248 -0.521 11 OH TYR 69 OH TYR 69 5.544 -6.831 6.365 12 OH TYR 73 OH TYR 73 7.344 2.321 2.672 13 OH TYR 75 OH TYR 75 2.952 12.688 3.063 14 NH1 ARG 100 NH2 ARG 100 7.951 6.890 -8.832 15 NH2 ARG 100 NH1 ARG 100 6.822 5.685 -10.395 16 OH TYR 111 OH TYR 111 -14.336 4.400 3.453 17 OH TYR 123 OH TYR 123 -22.662 -8.820 -1.228 No H/Q in entry = 17 No H/Q in entry = 17
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