NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
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579069 |
2mnd   |
19888 | cing | 1-original | 1 | unknown | distance | NOE | simple |
ATOM_i ATOM_j LOW_BNDS UP_BNDS STD AVG_DST MIN_DST MAX_DST MODEL_DST #_of_DST H1' 1 H4' 1 2.970 2.971 0.000 2.971 2.970 2.972 2.754 30 H2'2 1 Q5' 1 4.239 4.247 0.004 4.243 4.238 4.251 4.283 30 H2'2 1 H4' 1 2.424 2.425 0.000 2.424 2.424 2.425 3.878 30 H2'2 1 H1' 1 2.506 2.506 0.000 2.506 2.506 2.507 3.084 30 H2'1 1 Q5' 1 3.720 3.725 0.002 3.723 3.720 3.726 5.156 30 H2'1 1 H4' 1 3.090 3.091 0.001 3.090 3.089 3.092 3.936 30 H2'1 1 H1' 1 2.978 2.979 0.001 2.979 2.978 2.980 2.505 30 H3' 1 Q5' 1 3.400 3.401 0.000 3.401 3.400 3.402 3.081 30 H3' 1 H1' 1 4.147 4.155 0.004 4.151 4.143 4.158 3.832 30 H3' 1 H2'2 1 2.550 2.550 0.000 2.550 2.549 2.550 2.371 30 H3' 1 H2'1 1 2.609 2.610 0.000 2.609 2.609 2.610 2.815 30 H6 1 Q5' 1 3.910 3.913 0.001 3.912 3.910 3.914 4.446 30 H6 1 H4' 1 3.916 3.922 0.003 3.919 3.913 3.923 4.499 30 H6 1 H1' 1 3.455 3.457 0.001 3.456 3.454 3.457 3.706 30 H6 1 H2'2 1 3.125 3.127 0.001 3.126 3.125 3.127 2.598 30 H6 1 H2'1 1 2.635 2.636 0.000 2.636 2.635 2.636 3.981 30 H6 1 H3' 1 3.616 3.619 0.002 3.618 3.615 3.621 4.314 30 H5 1 H2'1 1 1.794 1.795 0.000 1.794 1.794 1.795 5.632 30 H5 1 H6 1 2.643 2.643 0.000 2.643 2.643 2.644 2.389 30 Q5' 2 H1' 1 4.520 4.523 0.001 4.522 4.519 4.524 3.565 30 H1' 2 H4' 2 3.332 3.333 0.001 3.332 3.331 3.334 2.901 30 H2'2 2 H4' 2 3.601 3.605 0.002 3.603 3.600 3.607 3.808 30 H2'2 2 H1' 2 2.773 2.774 0.000 2.773 2.773 2.774 3.096 30 H2'1 2 H4' 2 3.394 3.397 0.002 3.395 3.393 3.399 4.097 30 H2'1 2 H1' 2 2.809 2.810 0.000 2.809 2.809 2.810 2.542 30 H3' 2 Q5' 2 4.271 4.275 0.002 4.273 4.270 4.277 3.095 30 H3' 2 H4' 2 3.011 3.012 0.001 3.012 3.011 3.013 2.906 30 H3' 2 H1' 2 3.635 3.639 0.002 3.637 3.634 3.640 3.725 30 H3' 2 H2'1 2 1.836 1.836 0.000 1.836 1.836 1.836 2.739 30 H8 2 H1' 1 4.284 4.293 0.005 4.289 4.282 4.299 5.589 30 H8 2 H2'2 1 2.691 2.692 0.000 2.692 2.691 2.692 4.704 30 H8 2 H2'1 1 3.259 3.262 0.001 3.260 3.259 3.263 3.717 30 H8 2 H3' 1 3.274 3.275 0.001 3.275 3.273 3.276 6.167 30 H8 2 H6 1 4.897 4.920 0.012 4.908 4.889 4.933 6.432 30 H8 2 Q5' 2 4.516 4.524 0.004 4.520 4.514 4.528 5.775 30 H8 2 H4' 2 4.698 4.714 0.008 4.706 4.688 4.720 5.520 30 H8 2 H1' 2 3.847 3.852 0.002 3.850 3.845 3.854 3.763 30 H8 2 H2'2 2 2.962 2.963 0.000 2.962 2.961 2.963 2.358 30 H8 2 H2'1 2 2.440 2.440 0.000 2.440 2.439 2.440 2.957 30 H8 2 H3' 2 4.033 4.042 0.005 4.037 4.031 4.046 4.772 30 Q5' 3 H1' 2 3.567 3.568 0.000 3.567 3.567 3.568 4.031 30 H1' 3 Q5' 3 3.030 3.031 0.000 3.030 3.030 3.031 4.712 30 H1' 3 H4' 3 3.136 3.137 0.001 3.137 3.136 3.138 3.089 30 H2'2 3 H4' 3 3.268 3.270 0.001 3.269 3.268 3.271 3.867 30 H2'2 3 H1' 3 2.669 2.669 0.000 2.669 2.669 2.670 3.091 30 H2'1 3 H4' 3 3.641 3.645 0.002 3.643 3.639 3.647 4.101 30 H2'1 3 H1' 3 2.575 2.575 0.000 2.575 2.575 2.575 2.487 30 H3' 3 Q5' 3 3.433 3.433 0.000 3.433 3.432 3.433 3.099 30 H3' 3 H4' 3 2.715 2.715 0.000 2.715 2.715 2.716 2.878 30 H3' 3 H1' 3 3.398 3.401 0.001 3.399 3.398 3.401 3.821 30 H3' 3 H2'2 3 3.110 3.112 0.001 3.111 3.110 3.112 2.444 30 H3' 3 H2'1 3 3.248 3.250 0.001 3.249 3.247 3.251 2.766 30 H8 3 H1' 2 3.637 3.641 0.002 3.639 3.636 3.642 2.665 30 H8 3 H2'2 2 3.224 3.226 0.001 3.225 3.223 3.227 3.916 30 H8 3 H8 2 4.942 4.969 0.013 4.955 4.933 4.979 3.827 30 H8 3 Q5' 3 4.232 4.236 0.002 4.234 4.231 4.239 4.319 30 H8 3 H4' 3 4.651 4.669 0.009 4.660 4.644 4.677 4.716 30 H8 3 H1' 3 3.711 3.715 0.002 3.713 3.710 3.716 3.844 30 H8 3 H2'2 3 2.463 2.464 0.000 2.463 2.463 2.464 2.481 30 H8 3 H2'1 3 3.001 3.002 0.001 3.001 3.000 3.003 3.871 30 H8 3 H3' 3 3.453 3.456 0.001 3.454 3.453 3.456 4.508 30 H2 3 H1' 3 4.624 4.641 0.009 4.633 4.618 4.649 4.749 30 H1' 4 H2 3 4.686 4.706 0.010 4.696 4.680 4.714 4.270 30 H1' 4 Q5' 4 3.205 3.206 0.000 3.206 3.205 3.206 4.684 30 H2'2 4 Q5' 4 2.320 2.320 0.000 2.320 2.320 2.320 4.250 30 H2'2 4 H1' 4 2.756 2.757 0.000 2.756 2.756 2.757 3.071 30 H2'1 4 Q5' 4 3.408 3.410 0.001 3.409 3.408 3.411 5.109 30 H3' 4 Q5' 4 3.024 3.025 0.000 3.024 3.024 3.025 3.037 30 H3' 4 H1' 4 3.822 3.827 0.002 3.825 3.820 3.828 3.891 30 H3' 4 H2'2 4 2.366 2.366 0.000 2.366 2.366 2.366 2.354 30 H3' 4 H2'1 4 2.822 2.823 0.000 2.823 2.822 2.824 2.815 30 H6 4 H1' 3 3.547 3.550 0.001 3.549 3.546 3.551 2.730 30 H6 4 H2'2 3 3.326 3.329 0.001 3.328 3.326 3.329 4.219 30 H6 4 H2'1 3 3.257 3.259 0.001 3.258 3.257 3.260 2.569 30 H6 4 H3' 3 4.063 4.070 0.003 4.066 4.061 4.072 4.914 30 H6 4 H8 3 4.507 4.523 0.008 4.515 4.504 4.530 5.646 30 H6 4 Q5' 4 3.952 3.955 0.002 3.954 3.951 3.957 4.133 30 H6 4 H1' 4 3.625 3.628 0.002 3.626 3.623 3.629 3.695 30 H6 4 H2'2 4 2.368 2.369 0.000 2.369 2.368 2.369 2.679 30 H6 4 H2'1 4 2.882 2.883 0.000 2.882 2.881 2.883 4.075 30 H6 4 H3' 4 3.656 3.660 0.002 3.658 3.655 3.661 4.194 30 H5 4 H1' 3 3.482 3.484 0.001 3.483 3.481 3.485 3.671 30 H5 4 H2'2 3 2.938 2.939 0.000 2.938 2.937 2.939 3.788 30 H5 4 H2'1 3 3.135 3.137 0.001 3.136 3.135 3.137 2.729 30 H5 4 H3' 3 4.278 4.287 0.005 4.283 4.274 4.290 5.483 30 H5 4 H8 3 4.128 4.136 0.004 4.132 4.125 4.138 4.747 30 H5 4 H2'1 4 3.510 3.513 0.002 3.512 3.509 3.515 5.753 30 H5 4 H6 4 2.781 2.781 0.000 2.781 2.780 2.781 2.383 30 H4' 5 H5'2 5 2.307 2.307 0.000 2.307 2.307 2.308 2.532 30 H4' 5 H5'1 5 2.512 2.513 0.000 2.513 2.512 2.513 2.544 30 H2'2 5 H1' 5 2.630 2.630 0.000 2.630 2.630 2.630 3.099 30 H2'1 5 H1' 5 2.848 2.849 0.000 2.849 2.848 2.849 2.518 30 H8 5 Q5' 4 3.813 3.817 0.002 3.815 3.812 3.818 7.230 30 H8 5 H1' 4 4.091 4.099 0.004 4.095 4.088 4.102 4.458 30 H8 5 H2'2 4 3.336 3.339 0.002 3.338 3.335 3.342 3.151 30 H8 5 H2'1 4 3.078 3.079 0.001 3.078 3.077 3.080 2.390 30 H8 5 H3' 4 3.846 3.851 0.002 3.848 3.843 3.853 4.657 30 H8 5 H6 4 4.631 4.653 0.011 4.642 4.622 4.658 5.323 30 H8 5 H5'2 5 3.831 3.838 0.004 3.834 3.828 3.840 5.341 30 H8 5 H5'1 5 3.257 3.260 0.001 3.259 3.257 3.261 4.618 30 H8 5 H4' 5 2.665 2.666 0.000 2.665 2.665 2.666 5.017 30 H8 5 H1' 5 3.760 3.765 0.002 3.762 3.758 3.767 3.898 30 H8 5 H2'2 5 1.845 1.846 0.000 1.846 1.845 1.846 2.368 30 H22 5 H1 5 3.625 3.630 0.002 3.627 3.624 3.631 3.532 30 H21 5 H1 5 4.807 4.838 0.016 4.822 4.795 4.850 2.299 30 H5'2 6 H1' 5 3.341 3.344 0.001 3.342 3.340 3.345 5.159 30 H4' 6 H5'2 6 2.315 2.316 0.000 2.315 2.315 2.316 2.553 30 H4' 6 H5'1 6 2.432 2.432 0.000 2.432 2.431 2.432 2.541 30 H1' 6 H1 5 6.170 6.331 0.081 6.251 6.138 6.389 6.810 30 H1' 6 H5'2 6 3.807 3.815 0.004 3.811 3.803 3.816 4.956 30 H1' 6 H5'1 6 3.299 3.301 0.001 3.300 3.298 3.302 4.538 30 H1' 6 H4' 6 2.701 2.702 0.000 2.702 2.701 2.702 2.948 30 H2'2 6 H1' 6 2.788 2.789 0.000 2.788 2.788 2.789 3.065 30 H2'1 6 H4' 6 2.684 2.685 0.000 2.685 2.684 2.686 3.919 30 H2'1 6 H1' 6 2.958 2.959 0.000 2.959 2.958 2.959 2.427 30 H2'1 6 H2'2 6 2.651 2.651 0.000 2.651 2.651 2.651 1.787 30 H3' 6 H5'2 6 2.869 2.870 0.000 2.869 2.868 2.870 2.653 30 H3' 6 H5'1 6 3.259 3.261 0.001 3.260 3.258 3.262 3.684 30 H3' 6 H4' 6 2.775 2.777 0.001 2.776 2.775 2.777 2.958 30 H3' 6 H1' 6 3.495 3.497 0.001 3.496 3.494 3.498 3.894 30 H3' 6 H2'2 6 2.669 2.669 0.000 2.669 2.669 2.669 2.350 30 H3' 6 H2'1 6 2.790 2.790 0.000 2.790 2.790 2.791 2.827 30 H6 6 H1' 5 3.480 3.482 0.001 3.481 3.479 3.483 2.782 30 H6 6 H2'2 5 3.460 3.464 0.002 3.462 3.459 3.465 4.151 30 H6 6 H2'1 5 3.246 3.248 0.001 3.247 3.245 3.249 2.481 30 H6 6 H5'2 6 3.327 3.329 0.001 3.328 3.325 3.330 4.528 30 H6 6 H5'1 6 3.915 3.922 0.004 3.918 3.912 3.925 3.720 30 H6 6 H4' 6 3.068 3.070 0.001 3.069 3.067 3.071 4.409 30 H6 6 H1' 6 3.421 3.423 0.001 3.422 3.420 3.423 3.710 30 H6 6 H2'2 6 3.082 3.083 0.001 3.083 3.082 3.083 2.550 30 H6 6 H2'1 6 2.742 2.743 0.000 2.742 2.742 2.743 3.983 30 H6 6 H3' 6 3.241 3.242 0.001 3.242 3.240 3.243 4.042 30 H5 6 H2'2 5 2.920 2.921 0.001 2.921 2.920 2.922 3.484 30 H5 6 H2'1 5 2.854 2.855 0.000 2.855 2.854 2.855 2.521 30 H5 6 H2'1 6 3.567 3.570 0.002 3.569 3.566 3.572 5.710 30 H5 6 H6 6 2.771 2.772 0.000 2.772 2.771 2.772 2.396 30 H41 6 H42 6 3.506 3.509 0.001 3.507 3.506 3.510 1.774 30 H1' 7 Q5' 7 3.910 3.917 0.003 3.914 3.908 3.918 4.745 30 H2'2 7 H1' 7 3.199 3.201 0.001 3.200 3.199 3.201 3.092 30 H2'1 7 H1' 7 2.424 2.424 0.000 2.424 2.424 2.424 2.425 30 H3' 7 H4' 7 3.101 3.103 0.001 3.102 3.101 3.104 2.721 30 H3' 7 H1' 7 3.603 3.606 0.001 3.605 3.603 3.607 3.876 30 H3' 7 H2'2 7 2.988 2.989 0.001 2.988 2.987 2.990 2.368 30 H3' 7 H2'1 7 2.414 2.414 0.000 2.414 2.414 2.414 2.786 30 H8 7 H1' 6 3.739 3.743 0.002 3.741 3.737 3.744 4.928 30 H8 7 H2'2 6 2.949 2.949 0.000 2.949 2.948 2.950 3.803 30 H8 7 H2'1 6 3.140 3.142 0.001 3.141 3.140 3.142 2.731 30 H8 7 H3' 6 3.649 3.652 0.001 3.650 3.647 3.653 4.761 30 H8 7 H6 6 3.747 3.751 0.002 3.749 3.746 3.753 6.139 30 H8 7 Q5' 7 4.215 4.225 0.005 4.220 4.210 4.228 4.799 30 H8 7 H4' 7 4.036 4.045 0.005 4.041 4.031 4.050 5.273 30 H8 7 H1' 7 3.808 3.811 0.002 3.809 3.806 3.814 3.873 30 H8 7 H2'2 7 3.128 3.129 0.001 3.128 3.127 3.130 2.222 30 H8 7 H2'1 7 2.665 2.665 0.000 2.665 2.664 2.665 3.419 30 H8 7 H3' 7 3.599 3.602 0.002 3.600 3.598 3.603 4.482 30 H1 7 H41 6 3.912 3.917 0.002 3.914 3.910 3.918 3.582 30 Q5' 8 H1' 7 3.777 3.779 0.001 3.778 3.776 3.780 3.021 30 H1' 8 Q5' 8 4.333 4.339 0.003 4.336 4.331 4.341 4.173 30 H1' 8 H4' 8 2.922 2.923 0.000 2.923 2.922 2.923 3.818 30 H2'2 8 H1' 8 2.852 2.853 0.000 2.853 2.852 2.854 3.015 30 H2'1 8 H4' 8 2.055 2.055 0.000 2.055 2.055 2.055 4.211 30 H2'1 8 H1' 8 2.877 2.878 0.000 2.878 2.877 2.878 2.301 30 H3' 8 Q5' 8 3.409 3.410 0.000 3.409 3.409 3.410 3.302 30 H3' 8 H4' 8 3.192 3.193 0.001 3.193 3.191 3.194 2.722 30 H3' 8 H1' 8 3.641 3.644 0.002 3.642 3.639 3.645 4.011 30 H3' 8 H2'2 8 2.996 2.997 0.000 2.996 2.995 2.997 2.397 30 H3' 8 H2'1 8 2.549 2.550 0.000 2.550 2.549 2.550 2.791 30 H6 8 H1' 7 3.793 3.798 0.002 3.796 3.792 3.800 4.378 30 H6 8 H2'2 7 2.992 2.993 0.001 2.993 2.992 2.994 4.807 30 H6 8 H2'1 7 3.189 3.191 0.001 3.190 3.188 3.191 3.309 30 H6 8 H3' 7 3.875 3.881 0.003 3.878 3.873 3.883 5.965 30 H6 8 H8 7 3.812 3.817 0.003 3.815 3.811 3.819 5.476 30 H6 8 H1' 8 3.729 3.734 0.002 3.731 3.728 3.734 3.674 30 H6 8 H2'2 8 3.570 3.574 0.002 3.572 3.568 3.575 2.189 30 H6 8 H2'1 8 2.547 2.547 0.000 2.547 2.547 2.547 3.542 30 H6 8 H3' 8 3.409 3.411 0.001 3.410 3.408 3.411 4.292 30 M5 8 H1' 7 4.501 4.506 0.003 4.504 4.500 4.508 4.456 30 M5 8 H2'2 7 3.776 3.777 0.001 3.776 3.775 3.777 4.104 30 M5 8 H2'1 7 3.537 3.538 0.000 3.538 3.537 3.538 3.603 30 M5 8 H3' 7 4.559 4.563 0.002 4.561 4.558 4.564 6.169 30 M5 8 H8 7 3.489 3.490 0.001 3.489 3.488 3.490 3.567 30 M5 8 H6 8 3.507 3.508 0.001 3.508 3.507 3.509 2.827 30 H5'2 9 H1' 8 3.887 3.894 0.004 3.890 3.884 3.897 2.686 30 H5'2 9 H2'2 8 3.442 3.446 0.002 3.444 3.440 3.447 4.776 30 H5'1 9 H1' 8 3.759 3.764 0.003 3.762 3.756 3.766 2.388 30 H5'1 9 H2'2 8 3.090 3.092 0.001 3.091 3.089 3.092 4.316 30 H4' 9 H1' 8 4.421 4.435 0.007 4.428 4.418 4.439 4.624 30 H1' 9 H4' 9 2.987 2.988 0.001 2.988 2.987 2.989 3.774 30 H2'2 9 H1' 9 2.515 2.515 0.000 2.515 2.514 2.515 3.067 30 H2'1 9 H1' 9 2.909 2.910 0.001 2.909 2.908 2.911 2.361 30 H3' 9 H5'2 9 3.609 3.613 0.002 3.611 3.607 3.615 3.883 30 H3' 9 H5'1 9 2.806 2.806 0.000 2.806 2.805 2.807 3.336 30 H3' 9 H4' 9 2.446 2.447 0.000 2.446 2.446 2.447 2.681 30 H3' 9 H1' 9 3.778 3.783 0.002 3.780 3.776 3.784 3.883 30 H3' 9 H2'2 9 2.580 2.580 0.000 2.580 2.579 2.580 2.386 30 H3' 9 H2'1 9 2.873 2.874 0.000 2.874 2.873 2.875 2.720 30 H6 9 H1' 8 3.816 3.821 0.002 3.819 3.814 3.822 3.275 30 H6 9 H2'2 8 2.679 2.680 0.000 2.680 2.679 2.680 4.546 30 H6 9 H2'1 8 3.344 3.346 0.001 3.345 3.343 3.347 3.018 30 H6 9 H3' 8 4.049 4.057 0.004 4.053 4.046 4.058 5.706 30 H6 9 H5'2 9 3.259 3.261 0.001 3.260 3.258 3.262 4.215 30 H6 9 H5'1 9 3.957 3.965 0.004 3.961 3.955 3.969 2.499 30 H6 9 H4' 9 3.075 3.076 0.001 3.075 3.075 3.076 5.109 30 H6 9 H1' 9 2.259 2.259 0.000 2.259 2.259 2.259 3.677 30 H6 9 H2'2 9 2.920 2.921 0.001 2.920 2.919 2.921 2.191 30 H6 9 H2'1 9 2.397 2.398 0.000 2.397 2.397 2.398 3.334 30 H6 9 H3' 9 3.378 3.380 0.001 3.379 3.377 3.381 4.483 30 H5 9 H1' 8 3.654 3.657 0.001 3.656 3.653 3.659 3.497 30 H5 9 H2'2 8 3.486 3.489 0.002 3.487 3.484 3.490 3.795 30 H5 9 H2'1 8 3.246 3.248 0.001 3.247 3.245 3.249 3.111 30 H5 9 H3' 8 3.984 3.990 0.003 3.987 3.982 3.993 5.783 30 H5 9 H6 8 4.152 4.160 0.004 4.156 4.150 4.164 4.016 30 H5 9 M5 8 4.622 4.629 0.003 4.625 4.621 4.632 5.699 30 H5 9 H2'1 9 3.049 3.051 0.001 3.050 3.048 3.051 5.500 30 H5 9 H6 9 2.951 2.952 0.000 2.951 2.951 2.952 2.335 30 H42 9 H3 8 4.935 4.975 0.020 4.955 4.924 4.993 3.163 30 H1' 10 Q5' 10 3.848 3.851 0.002 3.849 3.847 3.852 4.629 30 H1' 10 H4' 10 3.612 3.618 0.003 3.615 3.610 3.622 2.795 30 H2'2 10 H4' 10 1.503 1.503 0.000 1.503 1.502 1.503 3.860 30 H2'2 10 H1' 10 2.686 2.687 0.000 2.686 2.686 2.687 3.094 30 H2'1 10 H4' 10 2.542 2.544 0.001 2.543 2.540 2.547 3.977 30 H2'1 10 H1' 10 2.529 2.529 0.000 2.529 2.529 2.529 2.519 30 H3' 10 Q5' 10 2.143 2.143 0.000 2.143 2.143 2.143 3.118 30 H8 10 H1' 9 4.497 4.519 0.011 4.508 4.487 4.526 2.493 30 H8 10 H2'1 9 1.715 1.715 0.000 1.715 1.715 1.715 2.417 30 H8 10 Q5' 10 3.622 3.624 0.001 3.623 3.622 3.625 4.764 30 H8 10 H1' 10 4.013 4.022 0.004 4.017 4.010 4.024 3.850 30 H8 10 H2'2 10 2.263 2.264 0.000 2.263 2.262 2.264 2.568 30 H1' 11 H4' 11 2.972 2.973 0.000 2.973 2.972 2.974 2.774 30 H2'2 11 Q5' 11 4.229 4.236 0.004 4.233 4.226 4.238 4.271 30 H2'2 11 H4' 11 2.427 2.427 0.000 2.427 2.427 2.427 3.879 30 H2'2 11 H1' 11 2.508 2.508 0.000 2.508 2.508 2.509 3.082 30 H2'1 11 Q5' 11 3.749 3.752 0.002 3.751 3.748 3.754 5.147 30 H2'1 11 H4' 11 3.095 3.097 0.001 3.096 3.095 3.098 3.930 30 H2'1 11 H1' 11 2.983 2.984 0.001 2.984 2.983 2.985 2.500 30 H3' 11 H2'2 10 2.502 2.503 0.000 2.503 2.502 2.503 15.305 30 H3' 11 Q5' 11 3.423 3.424 0.000 3.423 3.423 3.424 3.076 30 H3' 11 H1' 11 4.155 4.163 0.004 4.159 4.154 4.167 3.841 30 H3' 11 H2'2 11 2.560 2.561 0.000 2.560 2.560 2.561 2.363 30 H3' 11 H2'1 11 2.623 2.624 0.000 2.623 2.623 2.624 2.812 30 H6 11 Q5' 11 3.914 3.917 0.001 3.915 3.913 3.917 4.428 30 H6 11 H4' 11 3.915 3.921 0.003 3.918 3.915 3.924 4.506 30 H6 11 H1' 11 3.456 3.458 0.001 3.457 3.456 3.459 3.706 30 H6 11 H2'2 11 3.128 3.130 0.001 3.129 3.127 3.130 2.632 30 H6 11 H2'1 11 2.639 2.640 0.000 2.640 2.639 2.640 4.008 30 H6 11 H3' 11 3.626 3.630 0.002 3.628 3.625 3.630 4.329 30 H5 11 H2'1 11 1.799 1.799 0.000 1.799 1.799 1.799 5.608 30 H5 11 H6 11 2.646 2.646 0.000 2.646 2.646 2.646 2.390 30 Q5' 12 H1' 11 4.518 4.521 0.001 4.519 4.517 4.522 3.693 30 H1' 12 H4' 12 3.314 3.315 0.001 3.314 3.313 3.316 2.547 30 H2'2 12 H4' 12 3.581 3.585 0.002 3.583 3.580 3.586 3.880 30 H2'2 12 H1' 12 2.753 2.754 0.000 2.753 2.753 2.754 3.066 30 H2'1 12 H4' 12 3.385 3.388 0.002 3.386 3.384 3.389 3.636 30 H2'1 12 H1' 12 2.780 2.781 0.001 2.781 2.780 2.781 2.434 30 H3' 12 Q5' 12 4.199 4.204 0.002 4.201 4.197 4.205 3.163 30 H3' 12 H4' 12 2.996 2.997 0.000 2.997 2.996 2.997 3.044 30 H3' 12 H1' 12 3.621 3.624 0.002 3.622 3.619 3.625 3.890 30 H3' 12 H2'1 12 1.816 1.816 0.000 1.816 1.816 1.817 2.897 30 H8 12 H1' 11 4.285 4.296 0.005 4.290 4.283 4.299 4.197 30 H8 12 H2'2 11 2.694 2.694 0.000 2.694 2.693 2.694 3.769 30 H8 12 H2'1 11 3.263 3.265 0.001 3.264 3.262 3.266 2.686 30 H8 12 H3' 11 3.285 3.287 0.001 3.286 3.285 3.287 5.396 30 H8 12 H6 11 4.904 4.932 0.014 4.918 4.892 4.935 5.341 30 H8 12 Q5' 12 4.556 4.564 0.004 4.560 4.553 4.567 5.007 30 H8 12 H4' 12 4.697 4.719 0.011 4.708 4.691 4.724 4.764 30 H8 12 H1' 12 3.836 3.840 0.002 3.838 3.834 3.842 3.835 30 H8 12 H2'2 12 2.962 2.963 0.000 2.962 2.961 2.963 2.725 30 H8 12 H2'1 12 2.428 2.429 0.000 2.428 2.428 2.429 4.131 30 H8 12 H3' 12 4.119 4.128 0.005 4.123 4.114 4.130 4.217 30 H1 12 H5 9 5.838 5.937 0.049 5.887 5.808 5.968 5.541 30 H1 12 H42 9 4.915 4.948 0.016 4.932 4.904 4.967 2.650 30 H1 12 H41 9 4.535 4.554 0.010 4.545 4.529 4.561 4.256 30 Q5' 13 H1' 12 3.690 3.691 0.000 3.690 3.690 3.691 3.861 30 H1' 13 Q5' 13 3.043 3.043 0.000 3.043 3.042 3.044 4.632 30 H1' 13 H4' 13 3.169 3.171 0.001 3.170 3.169 3.171 2.850 30 H2'2 13 H4' 13 3.281 3.283 0.001 3.282 3.280 3.284 3.832 30 H2'2 13 H1' 13 2.686 2.686 0.000 2.686 2.686 2.687 3.097 30 H2'1 13 H4' 13 3.655 3.660 0.002 3.658 3.654 3.662 4.051 30 H2'1 13 H1' 13 2.593 2.593 0.000 2.593 2.593 2.594 2.539 30 H3' 13 Q5' 13 3.405 3.405 0.000 3.405 3.405 3.406 3.119 30 H3' 13 H4' 13 2.728 2.728 0.000 2.728 2.728 2.729 2.932 30 H3' 13 H1' 13 3.421 3.423 0.001 3.422 3.420 3.424 3.757 30 H3' 13 H2'2 13 3.109 3.111 0.001 3.110 3.109 3.111 2.429 30 H3' 13 H2'1 13 3.249 3.250 0.001 3.249 3.248 3.251 2.741 30 H8 13 H1' 12 3.616 3.619 0.001 3.617 3.615 3.620 4.214 30 H8 13 H2'2 12 3.209 3.211 0.001 3.210 3.208 3.212 3.068 30 H8 13 H8 12 4.935 4.965 0.015 4.950 4.923 4.970 4.944 30 H8 13 Q5' 13 4.272 4.277 0.002 4.274 4.271 4.279 5.011 30 H8 13 H4' 13 4.689 4.709 0.010 4.699 4.682 4.715 5.043 30 H8 13 H1' 13 3.735 3.739 0.002 3.737 3.733 3.740 3.886 30 H8 13 H2'2 13 2.463 2.463 0.000 2.463 2.463 2.463 2.425 30 H8 13 H2'1 13 3.003 3.004 0.001 3.004 3.003 3.005 3.671 30 H8 13 H3' 13 3.456 3.458 0.001 3.457 3.455 3.459 4.676 30 H2 13 H1 7 3.893 3.898 0.003 3.895 3.890 3.900 5.403 30 H2 13 H1' 13 4.501 4.518 0.009 4.510 4.496 4.523 4.668 30 H1' 14 H2 13 4.738 4.758 0.010 4.748 4.728 4.765 2.994 30 H1' 14 Q5' 14 3.224 3.225 0.000 3.224 3.224 3.225 4.652 30 H2'2 14 Q5' 14 2.326 2.326 0.000 2.326 2.326 2.326 4.372 30 H2'2 14 H1' 14 2.759 2.759 0.000 2.759 2.758 2.760 3.079 30 H2'1 14 Q5' 14 3.428 3.429 0.001 3.429 3.427 3.430 5.153 30 H3' 14 Q5' 14 3.012 3.013 0.000 3.013 3.012 3.013 3.082 30 H3' 14 H1' 14 3.825 3.830 0.003 3.828 3.824 3.832 3.897 30 H3' 14 H2'2 14 2.368 2.368 0.000 2.368 2.368 2.368 2.347 30 H3' 14 H2'1 14 2.829 2.829 0.000 2.829 2.828 2.830 2.833 30 H6 14 H1' 13 3.573 3.576 0.002 3.575 3.572 3.577 3.081 30 H6 14 H2'2 13 3.327 3.330 0.001 3.329 3.327 3.331 3.895 30 H6 14 H2'1 13 3.262 3.264 0.001 3.263 3.261 3.265 2.363 30 H6 14 H3' 13 4.066 4.072 0.003 4.069 4.064 4.076 4.990 30 H6 14 H8 13 4.514 4.532 0.009 4.523 4.511 4.538 4.847 30 H6 14 Q5' 14 3.944 3.947 0.002 3.946 3.943 3.948 4.214 30 H6 14 H1' 14 3.629 3.632 0.001 3.630 3.628 3.633 3.697 30 H6 14 H2'2 14 2.372 2.373 0.000 2.372 2.372 2.373 2.507 30 H6 14 H2'1 14 2.891 2.891 0.000 2.891 2.890 2.892 3.952 30 H6 14 H3' 14 3.659 3.662 0.002 3.661 3.657 3.663 3.995 30 H5 14 H1' 13 3.504 3.507 0.001 3.505 3.503 3.508 4.113 30 H5 14 H2'2 13 2.937 2.938 0.000 2.937 2.937 2.938 3.403 30 H5 14 H2'1 13 3.137 3.138 0.001 3.137 3.136 3.138 2.846 30 H5 14 H3' 13 4.279 4.290 0.005 4.284 4.275 4.292 5.404 30 H5 14 H8 13 4.131 4.140 0.004 4.135 4.129 4.143 3.529 30 H5 14 H2'1 14 3.514 3.518 0.002 3.516 3.514 3.519 5.771 30 H5 14 H6 14 2.784 2.785 0.000 2.784 2.784 2.785 2.388 30 H41 14 H1 7 4.315 4.329 0.007 4.322 4.308 4.334 4.094 30 H4' 15 H5'2 15 2.177 2.178 0.000 2.177 2.177 2.178 2.587 30 H4' 15 H5'1 15 2.354 2.355 0.000 2.355 2.354 2.355 2.504 30 H2'2 15 H1' 15 2.573 2.574 0.000 2.574 2.573 2.574 3.033 30 H2'1 15 H1' 15 2.790 2.791 0.000 2.790 2.790 2.791 2.341 30 H8 15 Q5' 14 3.792 3.796 0.002 3.794 3.791 3.797 7.569 30 H8 15 H1' 14 4.043 4.052 0.005 4.047 4.040 4.055 4.335 30 H8 15 H2'2 14 3.320 3.323 0.002 3.321 3.319 3.325 3.547 30 H8 15 H2'1 14 3.039 3.041 0.001 3.040 3.039 3.041 2.462 30 H8 15 H3' 14 3.822 3.828 0.003 3.825 3.820 3.830 5.004 30 H8 15 H6 14 4.610 4.629 0.009 4.620 4.602 4.634 5.538 30 H8 15 H5'2 15 3.843 3.850 0.004 3.847 3.840 3.854 5.098 30 H8 15 H5'1 15 3.180 3.182 0.001 3.181 3.179 3.183 4.614 30 H8 15 H4' 15 2.511 2.512 0.000 2.512 2.511 2.512 4.655 30 H8 15 H1' 15 3.753 3.759 0.003 3.756 3.751 3.761 3.823 30 H8 15 H2'2 15 1.827 1.827 0.000 1.827 1.827 1.827 2.929 30 H22 15 H1 15 3.612 3.616 0.002 3.614 3.611 3.618 3.520 30 H21 15 H1 15 4.799 4.828 0.014 4.813 4.791 4.842 2.285 30 H5'2 16 H1' 15 3.389 3.392 0.002 3.390 3.388 3.393 5.860 30 H4' 16 H5'2 16 2.499 2.499 0.000 2.499 2.499 2.499 2.603 30 H4' 16 H5'1 16 2.626 2.627 0.000 2.627 2.626 2.627 2.457 30 H1' 16 H1 15 6.152 6.302 0.075 6.227 6.091 6.332 6.649 30 H1' 16 H5'2 16 3.862 3.869 0.004 3.866 3.860 3.872 4.909 30 H1' 16 H5'1 16 3.318 3.320 0.001 3.319 3.318 3.322 4.489 30 H1' 16 H4' 16 2.989 2.990 0.000 2.989 2.988 2.990 2.717 30 H2'2 16 H1' 16 2.774 2.775 0.000 2.775 2.774 2.775 3.058 30 H2'1 16 H4' 16 2.992 2.993 0.000 2.993 2.992 2.994 3.698 30 H2'1 16 H1' 16 2.945 2.946 0.000 2.945 2.945 2.946 2.404 30 H2'1 16 H2'2 16 2.658 2.658 0.000 2.658 2.658 2.658 1.780 30 H3' 16 H5'2 16 2.985 2.986 0.000 2.985 2.984 2.986 2.700 30 H3' 16 H5'1 16 3.300 3.302 0.001 3.301 3.299 3.303 3.740 30 H3' 16 H4' 16 3.056 3.057 0.001 3.056 3.055 3.057 3.021 30 H3' 16 H1' 16 3.476 3.478 0.001 3.477 3.475 3.479 3.911 30 H3' 16 H2'2 16 2.680 2.681 0.000 2.680 2.680 2.681 2.328 30 H3' 16 H2'1 16 2.804 2.805 0.000 2.804 2.804 2.805 2.885 30 H6 16 H1' 15 3.424 3.426 0.001 3.425 3.423 3.427 4.609 30 H6 16 H2'2 15 3.467 3.470 0.002 3.468 3.465 3.472 2.555 30 H6 16 H2'1 15 3.241 3.243 0.001 3.242 3.240 3.244 2.692 30 H6 16 H5'2 16 3.458 3.460 0.001 3.459 3.457 3.462 4.799 30 H6 16 H5'1 16 3.981 3.990 0.004 3.986 3.978 3.993 4.334 30 H6 16 H4' 16 3.401 3.403 0.001 3.402 3.400 3.404 4.485 30 H6 16 H1' 16 3.402 3.404 0.001 3.403 3.402 3.405 3.729 30 H6 16 H2'2 16 3.087 3.088 0.001 3.088 3.087 3.089 2.430 30 H6 16 H2'1 16 2.751 2.752 0.000 2.751 2.751 2.752 3.903 30 H6 16 H3' 16 3.253 3.254 0.001 3.254 3.253 3.255 3.765 30 H5 16 H2'2 15 2.910 2.912 0.001 2.911 2.910 2.912 2.658 30 H5 16 H2'1 15 2.840 2.841 0.000 2.841 2.840 2.841 3.917 30 H5 16 H2'1 16 3.579 3.582 0.001 3.581 3.578 3.583 5.796 30 H5 16 H6 16 2.778 2.779 0.000 2.778 2.778 2.779 2.384 30 H41 16 H42 16 3.525 3.528 0.001 3.526 3.524 3.528 1.772 30 H1' 17 Q5' 17 4.182 4.187 0.003 4.184 4.179 4.189 4.641 30 H2'2 17 H1' 17 3.174 3.176 0.001 3.175 3.173 3.177 3.100 30 H2'1 17 H1' 17 2.386 2.386 0.000 2.386 2.386 2.386 2.489 30 H3' 17 H4' 17 2.689 2.690 0.001 2.690 2.688 2.691 2.897 30 H3' 17 H1' 17 3.588 3.592 0.002 3.590 3.587 3.593 3.842 30 H3' 17 H2'2 17 2.992 2.993 0.001 2.993 2.992 2.994 2.368 30 H3' 17 H2'1 17 2.409 2.409 0.000 2.409 2.409 2.410 2.806 30 H8 17 H1' 16 3.719 3.722 0.002 3.721 3.718 3.724 4.325 30 H8 17 H2'2 16 2.949 2.950 0.000 2.949 2.949 2.950 3.551 30 H8 17 H2'1 16 3.147 3.148 0.001 3.147 3.146 3.148 2.509 30 H8 17 H3' 16 3.661 3.664 0.002 3.662 3.660 3.665 5.083 30 H8 17 H6 16 3.751 3.755 0.002 3.753 3.750 3.757 5.548 30 H8 17 Q5' 17 4.648 4.659 0.005 4.653 4.645 4.663 4.945 30 H8 17 H4' 17 3.600 3.609 0.005 3.605 3.598 3.613 5.035 30 H8 17 H1' 17 3.775 3.779 0.002 3.777 3.773 3.780 3.893 30 H8 17 H2'2 17 3.129 3.130 0.001 3.130 3.129 3.131 2.314 30 H8 17 H2'1 17 2.655 2.655 0.000 2.655 2.654 2.655 3.635 30 H8 17 H3' 17 3.607 3.611 0.002 3.609 3.606 3.611 4.434 30 H1 17 H2 3 4.015 4.021 0.003 4.018 4.013 4.023 2.707 30 H1 17 H42 4 6.012 6.146 0.067 6.079 5.959 6.200 2.403 30 H1 17 H41 4 4.395 4.408 0.007 4.401 4.388 4.412 3.806 30 H1 17 H41 16 3.976 3.981 0.003 3.979 3.975 3.983 5.813 30 Q5' 18 H1' 17 4.189 4.191 0.001 4.190 4.188 4.192 3.998 30 H1' 18 Q5' 18 4.159 4.164 0.002 4.161 4.158 4.166 4.298 30 H1' 18 H4' 18 2.927 2.928 0.000 2.928 2.927 2.929 3.674 30 H2'2 18 H1' 18 2.859 2.860 0.000 2.859 2.858 2.860 3.021 30 H2'1 18 H4' 18 2.073 2.073 0.000 2.073 2.073 2.073 3.738 30 H2'1 18 H1' 18 2.878 2.879 0.001 2.879 2.878 2.879 2.342 30 H3' 18 Q5' 18 3.334 3.335 0.000 3.335 3.334 3.335 3.533 30 H3' 18 H4' 18 3.196 3.198 0.001 3.197 3.196 3.199 2.498 30 H3' 18 H1' 18 3.635 3.638 0.002 3.637 3.634 3.639 3.936 30 H3' 18 H2'2 18 2.992 2.993 0.001 2.992 2.991 2.993 2.450 30 H3' 18 H2'1 18 2.558 2.558 0.000 2.558 2.558 2.558 2.752 30 H6 18 H1' 17 3.769 3.773 0.002 3.771 3.767 3.775 4.209 30 H6 18 H2'2 17 3.022 3.023 0.001 3.022 3.021 3.023 3.870 30 H6 18 H2'1 17 3.170 3.172 0.001 3.171 3.169 3.173 2.576 30 H6 18 H3' 17 3.909 3.915 0.003 3.912 3.907 3.916 5.247 30 H6 18 H8 17 3.844 3.848 0.002 3.846 3.842 3.850 4.944 30 H6 18 H1' 18 3.747 3.751 0.002 3.749 3.746 3.752 3.765 30 H6 18 H2'2 18 3.469 3.472 0.001 3.471 3.468 3.473 2.330 30 H6 18 H2'1 18 2.582 2.583 0.000 2.583 2.582 2.583 3.850 30 H6 18 H3' 18 3.414 3.416 0.001 3.415 3.414 3.417 3.977 30 M5 18 H1' 17 4.466 4.471 0.002 4.468 4.464 4.472 5.023 30 M5 18 H2'2 17 3.802 3.803 0.001 3.803 3.802 3.804 3.539 30 M5 18 H2'1 17 3.494 3.495 0.000 3.494 3.493 3.495 3.625 30 M5 18 H3' 17 4.557 4.561 0.002 4.559 4.555 4.562 5.735 30 M5 18 H8 17 3.506 3.507 0.001 3.507 3.506 3.508 3.324 30 M5 18 H6 18 3.554 3.555 0.001 3.555 3.553 3.556 2.872 30 H3 18 H2 3 5.322 5.364 0.021 5.343 5.304 5.375 2.685 30 H5'2 19 H1' 18 3.881 3.888 0.004 3.885 3.880 3.891 4.331 30 H5'2 19 H2'2 18 3.419 3.423 0.002 3.421 3.417 3.424 6.138 30 H5'1 19 H1' 18 3.737 3.743 0.003 3.740 3.735 3.744 2.634 30 H5'1 19 H2'2 18 2.941 2.942 0.001 2.942 2.940 2.943 4.945 30 H4' 19 H1' 18 4.418 4.433 0.007 4.426 4.413 4.437 4.386 30 H1' 19 H4' 19 2.993 2.994 0.000 2.993 2.993 2.994 3.072 30 H2'2 19 H1' 19 2.551 2.551 0.000 2.551 2.551 2.552 3.094 30 H2'1 19 H1' 19 2.921 2.922 0.001 2.921 2.920 2.922 2.501 30 H3' 19 H5'2 19 3.569 3.573 0.002 3.571 3.568 3.575 2.705 30 H3' 19 H5'1 19 2.769 2.769 0.000 2.769 2.768 2.770 3.742 30 H3' 19 H4' 19 2.441 2.442 0.000 2.441 2.441 2.442 2.859 30 H3' 19 H1' 19 3.778 3.783 0.002 3.781 3.777 3.785 3.735 30 H3' 19 H2'2 19 2.594 2.594 0.000 2.594 2.594 2.594 2.419 30 H3' 19 H2'1 19 2.876 2.877 0.000 2.877 2.876 2.877 2.739 30 H6 19 H1' 18 3.811 3.817 0.003 3.814 3.809 3.818 4.496 30 H6 19 H2'2 18 2.696 2.696 0.000 2.696 2.695 2.697 3.513 30 H6 19 H2'1 18 3.360 3.363 0.002 3.362 3.358 3.364 2.744 30 H6 19 H3' 18 4.051 4.058 0.003 4.054 4.047 4.060 5.038 30 H6 19 H5'2 19 3.267 3.269 0.001 3.268 3.266 3.270 5.801 30 H6 19 H5'1 19 3.719 3.725 0.003 3.722 3.717 3.727 5.239 30 H6 19 H4' 19 3.070 3.071 0.001 3.071 3.070 3.072 5.424 30 H6 19 H1' 19 2.273 2.273 0.000 2.273 2.272 2.273 3.641 30 H6 19 H2'2 19 2.934 2.935 0.001 2.935 2.934 2.936 2.249 30 H6 19 H2'1 19 2.413 2.414 0.000 2.413 2.413 2.414 2.866 30 H6 19 H3' 19 3.378 3.380 0.001 3.379 3.378 3.381 4.641 30 H5 19 H1 2 5.922 6.022 0.050 5.972 5.880 6.062 5.268 30 H5 19 H1' 18 3.647 3.650 0.001 3.648 3.646 3.650 5.054 30 H5 19 H2'2 18 3.498 3.501 0.002 3.500 3.497 3.503 3.138 30 H5 19 H2'1 18 3.259 3.261 0.001 3.260 3.258 3.262 3.621 30 H5 19 H3' 18 3.985 3.991 0.003 3.988 3.982 3.993 5.289 30 H5 19 H6 18 4.172 4.181 0.004 4.177 4.169 4.184 4.197 30 H5 19 M5 18 4.685 4.690 0.003 4.688 4.683 4.694 5.358 30 H5 19 H2'1 19 3.064 3.066 0.001 3.065 3.064 3.066 5.129 30 H5 19 H6 19 2.954 2.955 0.000 2.955 2.954 2.956 2.355 30 H42 19 H3 18 4.973 5.015 0.021 4.994 4.961 5.025 3.500 30 H41 19 H1 2 4.753 4.782 0.015 4.768 4.742 4.793 4.249 30 H1' 20 H3' 1 3.641 3.644 0.002 3.642 3.640 3.645 13.421 30 H1' 20 Q5' 20 3.840 3.843 0.002 3.841 3.839 3.844 4.658 30 H1' 20 H4' 20 3.234 3.237 0.002 3.236 3.233 3.239 2.919 30 H2'2 20 H3' 1 2.563 2.563 0.000 2.563 2.563 2.564 15.219 30 H2'2 20 H4' 20 1.656 1.657 0.001 1.656 1.655 1.658 3.860 30 H2'2 20 H1' 20 2.718 2.719 0.000 2.718 2.718 2.719 3.096 30 H2'1 20 H4' 20 2.209 2.210 0.001 2.210 2.208 2.211 4.031 30 H2'1 20 H1' 20 2.516 2.517 0.000 2.516 2.516 2.517 2.518 30 H3' 20 Q5' 20 2.139 2.139 0.000 2.139 2.139 2.139 3.107 30 H8 20 H1' 19 4.471 4.493 0.011 4.482 4.462 4.505 2.535 30 H8 20 H2'1 19 1.727 1.727 0.000 1.727 1.727 1.727 2.470 30 H8 20 Q5' 20 3.664 3.667 0.001 3.665 3.663 3.667 4.468 30 H8 20 H4' 20 3.872 3.909 0.018 3.891 3.856 3.926 4.717 30 H8 20 H1' 20 3.960 3.968 0.004 3.964 3.957 3.970 3.832 30 H8 20 H2'2 20 2.393 2.394 0.000 2.393 2.393 2.394 2.623 30 M1 21 H2 3 3.949 3.953 0.002 3.951 3.948 3.955 8.840 30 M1 21 H1' 4 3.516 3.518 0.001 3.517 3.515 3.518 7.422 30 M1 21 H2'2 4 2.629 2.629 0.000 2.629 2.628 2.629 9.913 30 M1 21 H1' 5 3.485 3.487 0.001 3.486 3.485 3.487 5.891 30 M1 21 Q5' 7 3.066 3.066 0.000 3.066 3.065 3.066 10.022 30 M1 21 H4' 17 2.256 2.256 0.000 2.256 2.255 2.256 12.003 30 M1 21 H1 17 7.040 7.211 0.086 7.126 6.995 7.277 9.188 30 H2 21 H1' 5 4.942 4.969 0.014 4.956 4.935 4.981 4.030 30 H2 21 H1 5 6.484 6.681 0.099 6.583 6.434 6.768 6.739 30 H2 21 H22 5 5.641 5.732 0.046 5.686 5.590 5.754 4.420 30 H2 21 H21 5 4.796 4.828 0.016 4.812 4.791 4.847 5.711 30 H2 21 M1 21 4.484 4.492 0.004 4.488 4.482 4.496 3.754 30 H4 21 H5'2 16 4.266 4.282 0.008 4.274 4.261 4.289 17.535 30 H4 21 H5'1 16 2.671 2.672 0.000 2.672 2.671 2.672 16.768 30 H4 21 H4' 16 3.175 3.177 0.001 3.176 3.174 3.177 15.002 30 H4 21 H3' 16 4.579 4.595 0.008 4.587 4.573 4.599 16.465 30 M5 21 H4' 5 1.984 1.984 0.000 1.984 1.984 1.985 6.371 30 M5 21 H1' 17 3.821 3.825 0.002 3.823 3.819 3.827 9.732 30 M5 21 H4 21 2.795 2.796 0.000 2.795 2.795 2.796 2.900 30 H8 21 H5 4 6.485 6.662 0.088 6.574 6.426 6.719 11.948 30 H8 21 H5'2 5 5.955 6.109 0.077 6.032 5.887 6.147 9.941 30 H8 21 H5'1 5 6.584 6.834 0.125 6.709 6.522 6.992 9.676 27 H8 21 H8 5 5.512 5.583 0.036 5.547 5.496 5.624 9.341 30 H8 21 H1 5 6.928 7.159 0.015 6.943 6.922 6.967 6.642 5 H8 21 H22 5 4.745 4.771 0.013 4.758 4.734 4.782 3.203 30 H8 21 H21 5 4.560 4.582 0.011 4.571 4.554 4.587 4.515 30 H8 21 H1' 6 3.656 3.660 0.002 3.658 3.656 3.661 2.380 30 H8 21 H2'2 6 6.321 6.490 0.085 6.406 6.262 6.551 5.239 30 H8 21 H2'1 6 6.879 6.971 0.026 6.905 6.873 6.961 4.647 11 H10 21 H5 6 3.349 3.351 0.001 3.350 3.348 3.351 10.475 30 H10 21 M5 21 3.539 3.540 0.000 3.540 3.539 3.540 5.317 30 M6 21 H4' 6 3.198 3.200 0.001 3.199 3.198 3.200 6.327 30 M6 21 H1' 6 4.711 4.720 0.004 4.716 4.708 4.724 5.479 30 M6 21 H1' 15 3.462 3.464 0.001 3.463 3.461 3.464 11.501 30 M6 21 H2'2 15 3.825 3.832 0.003 3.829 3.823 3.835 13.745 30 M6 21 H2'1 15 3.706 3.710 0.002 3.708 3.705 3.712 12.476 30 M9 21 H4' 1 3.399 3.400 0.000 3.399 3.399 3.400 26.606 30 M9 21 H4' 3 5.153 5.165 0.006 5.159 5.149 5.169 22.154 30 M9 21 H5'1 9 3.505 3.507 0.001 3.506 3.504 3.507 7.552 30 M9 21 H4' 9 3.123 3.124 0.000 3.123 3.123 3.124 6.398 30 M9 21 H1' 9 3.958 3.960 0.001 3.959 3.958 3.961 5.694 30 M9 21 H1' 10 4.712 4.718 0.003 4.715 4.710 4.719 6.486 30 M9 21 Q5' 13 3.628 3.629 0.001 3.628 3.627 3.629 11.110 30 M9 21 H1' 13 4.183 4.187 0.002 4.185 4.181 4.189 6.771 30 M9 21 H2 13 4.678 4.686 0.004 4.682 4.676 4.689 3.700 30 M9 21 H1' 14 4.458 4.462 0.002 4.460 4.457 4.465 2.902 30 Q25 21 H4' 9 3.501 3.502 0.000 3.501 3.501 3.502 5.968 30 Q25 21 H1' 9 3.849 3.853 0.002 3.851 3.848 3.854 6.974 30 Q25 21 H2 13 3.657 3.660 0.001 3.659 3.656 3.661 5.374 30 Q25 21 H1' 14 3.849 3.851 0.001 3.850 3.848 3.851 4.749 30 H241 21 H2 13 2.873 2.874 0.000 2.874 2.873 2.874 3.207 30 H241 21 M9 21 3.319 3.320 0.001 3.320 3.319 3.321 3.144 30 H241 21 Q25 21 2.650 2.651 0.000 2.651 2.650 2.651 2.644 30 H242 21 H2 13 3.169 3.170 0.001 3.170 3.168 3.171 4.918 30 H242 21 M9 21 3.757 3.760 0.001 3.759 3.756 3.761 4.424 30 H242 21 Q25 21 2.953 2.954 0.001 2.953 2.952 2.954 2.345 30 H231 21 H2 13 3.051 3.052 0.001 3.052 3.051 3.053 3.586 30 H231 21 H1' 19 3.512 3.517 0.002 3.514 3.511 3.518 21.185 30 H231 21 H241 21 2.717 2.718 0.001 2.718 2.717 2.719 2.318 30 H231 21 H242 21 2.766 2.767 0.001 2.767 2.766 2.768 2.752 30 H232 21 H3' 7 2.839 2.841 0.001 2.840 2.839 2.841 9.571 30 H232 21 H4' 9 3.277 3.280 0.002 3.279 3.276 3.281 5.164 30 H232 21 H2 13 2.862 2.863 0.001 2.862 2.862 2.864 4.302 30 H232 21 H1' 14 3.848 3.856 0.004 3.852 3.846 3.860 5.527 30 H232 21 H1' 16 3.337 3.340 0.002 3.339 3.336 3.341 9.400 30 H232 21 H1' 19 3.234 3.237 0.002 3.236 3.233 3.238 22.334 30 H232 21 M9 21 3.272 3.274 0.001 3.273 3.271 3.275 4.149 30 H232 21 H241 21 1.972 1.972 0.000 1.972 1.971 1.972 2.783 30 H22 21 H2'2 8 6.156 6.386 0.115 6.271 6.109 6.453 6.357 30 H22 21 H1' 18 4.229 4.237 0.004 4.233 4.223 4.239 15.287 30 H22 21 H241 21 6.482 6.750 0.134 6.616 6.366 6.870 3.687 30 H22 21 H242 21 6.715 6.965 0.105 6.820 6.669 6.993 2.785 14 H22 21 H231 21 4.500 4.521 0.010 4.510 4.494 4.529 2.319 30 H22 21 H232 21 4.296 4.314 0.009 4.305 4.291 4.320 2.983 30 M7 21 Q5' 7 3.410 3.411 0.001 3.411 3.410 3.412 9.629 30 M7 21 Q5' 8 5.271 5.278 0.003 5.275 5.269 5.280 5.153 30 M7 21 H2'2 8 4.253 4.257 0.002 4.255 4.252 4.258 6.720 30 M7 21 H5'2 9 3.650 3.651 0.001 3.651 3.650 3.652 5.359 30 M7 21 Q5' 14 3.587 3.588 0.000 3.588 3.587 3.588 16.015 30 M7 21 Q5' 18 4.860 4.863 0.001 4.861 4.858 4.864 14.045 30 M7 21 H4' 18 3.961 3.963 0.001 3.962 3.961 3.964 15.290 30 M7 21 M9 21 5.201 5.210 0.005 5.206 5.199 5.214 10.204 30 M8 21 M6 21 4.431 4.434 0.002 4.432 4.429 4.435 10.070 30 M8 21 M9 21 5.266 5.275 0.004 5.270 5.262 5.277 7.597 30 H20 21 M7 21 2.830 2.831 0.000 2.830 2.830 2.831 2.462 30 H20 21 M8 21 2.777 2.777 0.000 2.777 2.777 2.777 2.433 30 H14 21 H2'2 6 5.365 5.400 0.018 5.383 5.352 5.427 6.616 30 H14 21 H1' 7 4.237 4.246 0.004 4.242 4.234 4.249 2.538 30 H14 21 H2'2 7 6.814 6.989 0.067 6.882 6.786 6.999 4.925 12 H14 21 H2'1 7 5.928 6.086 0.079 6.007 5.903 6.169 4.622 30 H14 21 H1 7 6.909 7.053 0.032 6.941 6.892 6.993 6.770 8 H14 21 H22 7 4.797 4.830 0.016 4.813 4.793 4.843 4.353 30 H14 21 Q5' 8 6.594 6.688 0.047 6.641 6.570 6.717 4.536 30 H14 21 H1' 8 5.888 5.984 0.048 5.936 5.853 6.006 7.879 30 H14 21 H6 8 6.980 7.353 0.006 6.987 6.979 6.995 6.712 3 H14 21 H4' 15 5.129 5.226 0.048 5.177 5.091 5.259 9.106 30 H14 21 H21 17 4.426 4.441 0.007 4.434 4.421 4.447 9.242 30 H14 21 H8 21 6.773 6.931 0.079 6.852 6.723 7.000 5.002 20 H13 21 H1' 6 4.235 4.246 0.006 4.240 4.232 4.250 2.982 30 H13 21 H1' 7 3.121 3.122 0.001 3.122 3.121 3.123 4.514 30 H13 21 H21 15 4.546 4.567 0.010 4.557 4.541 4.575 3.778 30 H13 21 H22 17 3.751 3.756 0.003 3.753 3.750 3.759 5.827 30 H13 21 H8 21 4.725 4.747 0.011 4.736 4.717 4.752 2.621 30 H13 21 H10 21 3.706 3.710 0.002 3.708 3.704 3.711 4.314 30 H13 21 H14 21 3.965 3.970 0.003 3.968 3.963 3.972 2.497 30 M1 22 H4' 7 2.680 2.680 0.000 2.680 2.679 2.680 6.847 30 M1 22 H1 7 7.615 7.844 0.114 7.729 7.585 7.966 7.978 30 M1 22 H2 13 4.130 4.133 0.002 4.132 4.129 4.135 9.126 30 M1 22 H1' 14 3.485 3.487 0.001 3.486 3.485 3.488 8.794 30 M1 22 H2'2 14 2.605 2.606 0.000 2.606 2.605 2.606 10.428 30 M1 22 H1' 15 3.212 3.214 0.001 3.213 3.212 3.214 4.167 30 M1 22 Q5' 17 3.605 3.605 0.000 3.605 3.605 3.605 5.400 30 M1 22 M6 21 5.677 5.698 0.010 5.688 5.668 5.706 8.167 30 M1 22 M9 21 4.711 4.715 0.002 4.713 4.710 4.717 8.544 30 M1 22 Q25 21 3.698 3.699 0.001 3.698 3.697 3.700 5.626 30 M1 22 H231 21 3.865 3.869 0.002 3.867 3.863 3.869 6.201 30 M1 22 H232 21 3.759 3.764 0.002 3.762 3.758 3.766 6.376 30 M1 22 H22 21 6.471 6.547 0.038 6.509 6.446 6.566 4.308 30 H2 22 H1' 15 4.835 4.860 0.013 4.847 4.826 4.868 5.770 30 H2 22 H1 15 6.565 6.791 0.113 6.678 6.502 6.869 5.377 30 H2 22 H22 15 5.095 5.138 0.022 5.116 5.069 5.153 2.537 30 H2 22 H21 15 4.853 4.881 0.014 4.867 4.848 4.899 3.481 30 H2 22 H8 21 6.391 6.575 0.092 6.483 6.346 6.649 5.306 30 H2 22 M1 22 4.822 4.833 0.005 4.828 4.817 4.837 2.786 30 H4 22 H5'2 6 4.004 4.015 0.005 4.009 4.001 4.019 11.387 30 H4 22 H5'1 6 2.715 2.716 0.001 2.716 2.714 2.717 10.812 30 H4 22 H4' 6 2.953 2.956 0.001 2.954 2.952 2.957 8.836 30 H4 22 H3' 6 4.794 4.817 0.011 4.805 4.784 4.822 10.820 30 H4 22 M6 21 2.843 2.846 0.001 2.845 2.843 2.846 5.786 30 H4 22 M7 21 4.170 4.173 0.002 4.172 4.169 4.175 7.408 30 M5 22 H1' 7 3.740 3.745 0.002 3.743 3.740 3.747 9.698 30 M5 22 H4' 15 1.614 1.614 0.000 1.614 1.614 1.614 12.652 30 M5 22 H10 21 2.641 2.641 0.000 2.641 2.641 2.641 5.764 30 M5 22 H13 21 3.004 3.006 0.001 3.005 3.004 3.006 5.846 30 M5 22 H4 22 2.898 2.900 0.001 2.899 2.898 2.901 2.892 30 H8 22 H5 14 6.415 6.608 0.096 6.511 6.372 6.701 14.863 30 H8 22 H5'2 15 5.840 5.960 0.060 5.900 5.788 6.011 14.884 30 H8 22 H5'1 15 6.365 6.653 0.144 6.509 6.291 6.793 14.653 30 H8 22 H8 15 5.430 5.504 0.037 5.467 5.404 5.527 12.133 30 H8 22 H22 15 4.543 4.566 0.011 4.554 4.536 4.575 6.455 30 H8 22 H21 15 4.516 4.537 0.011 4.526 4.506 4.545 5.913 30 H8 22 H1' 16 3.584 3.587 0.002 3.586 3.583 3.589 6.224 30 H8 22 H2'2 16 6.154 6.298 0.072 6.226 6.111 6.355 8.278 30 H8 22 H2'1 16 5.935 6.041 0.053 5.988 5.888 6.076 6.968 30 H8 22 H6 16 6.950 7.336 0.013 6.963 6.948 6.979 9.128 3 H8 22 H8 21 2.800 2.801 0.000 2.800 2.800 2.801 3.864 30 H8 22 M6 21 7.784 8.000 0.088 7.872 7.649 7.981 8.100 15 H10 22 H5 16 3.345 3.347 0.001 3.346 3.344 3.348 13.613 30 H10 22 M5 21 2.522 2.522 0.000 2.522 2.521 2.522 5.529 30 H10 22 M5 22 3.499 3.500 0.000 3.499 3.499 3.500 5.392 30 M6 22 H1' 5 3.589 3.591 0.001 3.590 3.589 3.592 9.324 30 M6 22 H2'2 5 4.038 4.044 0.003 4.041 4.034 4.046 12.124 30 M6 22 H2'1 5 3.842 3.846 0.002 3.844 3.840 3.848 11.556 30 M6 22 H4' 16 3.767 3.769 0.001 3.768 3.767 3.770 13.557 30 M6 22 H1' 16 4.189 4.192 0.002 4.191 4.189 4.194 11.409 30 M6 22 M1 21 4.637 4.640 0.001 4.639 4.637 4.641 5.958 30 M6 22 H4 21 2.971 2.972 0.000 2.972 2.971 2.972 5.415 30 M9 22 Q5' 3 3.677 3.678 0.001 3.677 3.677 3.678 7.312 30 M9 22 H1' 3 4.310 4.316 0.003 4.313 4.308 4.318 5.778 30 M9 22 H2 3 4.549 4.556 0.004 4.553 4.546 4.558 7.779 30 M9 22 H1' 4 4.290 4.294 0.002 4.292 4.288 4.296 6.426 30 M9 22 H4' 11 3.325 3.325 0.000 3.325 3.324 3.326 29.786 30 M9 22 H4' 13 5.036 5.048 0.006 5.042 5.032 5.052 25.427 30 M9 22 H5'1 19 3.740 3.742 0.001 3.741 3.740 3.742 10.981 30 M9 22 H4' 19 3.488 3.489 0.000 3.488 3.488 3.489 9.106 30 M9 22 H1' 19 3.837 3.839 0.001 3.838 3.837 3.840 8.059 30 M9 22 H1' 20 4.550 4.555 0.003 4.553 4.548 4.558 5.806 30 M9 22 M1 21 5.201 5.205 0.002 5.203 5.199 5.206 10.961 30 Q25 22 H2 3 3.719 3.721 0.001 3.720 3.718 3.722 5.125 30 Q25 22 H1' 4 3.569 3.571 0.001 3.570 3.568 3.572 4.027 30 Q25 22 H4' 19 3.817 3.818 0.000 3.817 3.817 3.818 8.540 30 Q25 22 H1' 19 4.317 4.321 0.002 4.319 4.316 4.322 7.703 30 Q25 22 M1 21 4.395 4.396 0.001 4.395 4.394 4.397 9.736 30 H241 22 H2 3 2.974 2.975 0.001 2.974 2.973 2.975 2.947 30 H241 22 M9 22 3.025 3.027 0.001 3.026 3.025 3.027 4.907 30 H241 22 Q25 22 2.675 2.676 0.000 2.675 2.675 2.676 2.307 30 H242 22 M9 22 3.566 3.569 0.002 3.567 3.565 3.571 4.602 30 H242 22 Q25 22 3.135 3.137 0.001 3.136 3.135 3.137 2.616 30 H231 22 H2 3 3.112 3.114 0.001 3.113 3.112 3.114 3.995 30 H231 22 H1' 9 3.554 3.558 0.002 3.556 3.553 3.561 25.726 30 H231 22 M1 21 3.780 3.783 0.002 3.781 3.778 3.785 10.416 30 H231 22 H241 22 2.804 2.804 0.000 2.804 2.803 2.805 2.586 30 H231 22 H242 22 2.791 2.792 0.000 2.791 2.790 2.792 2.360 30 H232 22 H2 3 2.802 2.804 0.001 2.803 2.802 2.804 5.294 30 H232 22 H1' 4 3.618 3.624 0.003 3.621 3.616 3.627 6.409 30 H232 22 H1' 6 3.299 3.303 0.002 3.301 3.298 3.304 14.857 30 H232 22 H1' 9 3.154 3.157 0.001 3.156 3.153 3.158 27.088 30 H232 22 H3' 17 2.799 2.800 0.001 2.800 2.799 2.801 14.404 30 H232 22 H4' 19 3.197 3.201 0.002 3.199 3.196 3.201 7.179 30 H232 22 M1 21 3.688 3.691 0.002 3.689 3.685 3.692 10.384 30 H232 22 M9 22 3.220 3.222 0.001 3.221 3.219 3.223 4.060 30 H232 22 H241 22 1.937 1.937 0.000 1.937 1.937 1.937 3.068 30 H22 22 H1' 8 4.251 4.260 0.005 4.255 4.247 4.262 21.777 30 H22 22 H2'2 18 5.895 6.023 0.064 5.959 5.851 6.083 7.168 30 H22 22 H2'1 18 6.921 7.498 0.009 6.929 6.921 6.938 6.630 2 H22 22 M1 21 6.021 6.074 0.027 6.047 6.006 6.085 8.193 30 H22 22 H241 22 6.664 6.880 0.108 6.772 6.582 6.978 2.808 21 H22 22 H242 22 5.633 5.728 0.047 5.681 5.597 5.748 3.840 30 H22 22 H231 22 4.433 4.449 0.008 4.441 4.426 4.453 2.294 30 H22 22 H232 22 4.372 4.392 0.010 4.382 4.366 4.398 2.974 30 M7 22 Q5' 4 3.902 3.903 0.000 3.902 3.902 3.903 7.772 30 M7 22 Q5' 8 4.540 4.544 0.002 4.542 4.539 4.544 22.341 30 M7 22 H4' 8 3.735 3.738 0.001 3.736 3.735 3.739 23.995 30 M7 22 Q5' 17 3.592 3.593 0.001 3.592 3.591 3.593 18.019 30 M7 22 Q5' 18 4.405 4.408 0.002 4.406 4.403 4.410 12.472 30 M7 22 H2'2 18 4.036 4.039 0.001 4.038 4.035 4.040 10.851 30 M7 22 H5'2 19 3.279 3.280 0.001 3.280 3.279 3.281 7.811 30 M7 22 H4 21 3.682 3.686 0.002 3.684 3.681 3.686 9.698 30 M7 22 M9 22 5.981 5.993 0.006 5.987 5.975 5.996 4.373 30 M8 22 M9 22 5.278 5.283 0.002 5.281 5.277 5.284 6.566 30 H20 22 M7 22 2.825 2.825 0.000 2.825 2.825 2.825 2.444 30 H20 22 M8 22 2.760 2.761 0.000 2.761 2.760 2.761 2.463 30 H14 22 H4' 5 5.394 5.493 0.049 5.444 5.371 5.532 6.586 30 H14 22 H21 7 4.434 4.451 0.008 4.443 4.428 4.454 12.904 30 H14 22 H2'2 16 5.314 5.362 0.024 5.338 5.301 5.377 11.182 30 H14 22 H1' 17 4.181 4.189 0.004 4.185 4.177 4.191 6.070 30 H14 22 H2'2 17 6.357 6.570 0.106 6.464 6.310 6.687 8.082 30 H14 22 H2'1 17 5.782 5.878 0.048 5.830 5.725 5.910 6.657 30 H14 22 H22 17 5.165 5.212 0.024 5.188 5.145 5.227 4.044 30 H14 22 Q5' 18 6.485 6.570 0.042 6.528 6.449 6.611 5.532 30 H14 22 H1' 18 6.125 6.268 0.072 6.196 6.094 6.312 2.431 30 H14 22 M1 21 7.460 7.679 0.110 7.570 7.383 7.741 5.789 30 H14 22 H8 22 6.223 6.368 0.072 6.296 6.172 6.418 4.941 30 H13 22 H21 5 5.081 5.124 0.022 5.102 5.070 5.143 4.964 30 H13 22 H22 7 3.714 3.720 0.003 3.717 3.713 3.722 10.472 30 H13 22 H1' 16 4.137 4.146 0.005 4.141 4.133 4.148 8.171 30 H13 22 H1' 17 2.656 2.656 0.000 2.656 2.656 2.656 4.254 30 H13 22 M5 21 3.085 3.086 0.001 3.085 3.084 3.087 7.084 30 H13 22 H8 22 6.235 6.435 0.100 6.335 6.196 6.511 2.608 30 H13 22 H10 22 3.680 3.684 0.002 3.682 3.679 3.685 4.312 30 H13 22 H14 22 3.921 3.927 0.003 3.924 3.919 3.929 2.402 30
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