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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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8783 |
1mv6 ![]() ![]() |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 1 H5'1 G 1 12.380 2.987 6.689 2 2H5* G 1 H5'2 G 1 11.861 3.438 8.322 3 H4* G 1 H4' G 1 11.629 5.313 6.742 4 H3* G 1 H3' G 1 8.981 4.196 7.722 5 H2* G 1 H2' G 1 8.029 6.204 6.736 6 2HO* G 1 HO2' G 1 9.902 7.551 7.343 7 H1* G 1 H1' G 1 9.465 5.915 4.414 8 H8 G 1 H8 G 1 8.613 2.383 5.304 9 H1 G 1 H1 G 1 3.435 5.705 3.433 10 1H2 G 1 H21 G 1 5.569 8.458 3.688 11 2H2 G 1 H22 G 1 3.937 7.887 3.337 12 H5T G 1 H5' G 1 10.417 1.922 6.410 13 1H5* G 2 H5'1 G 2 9.163 8.397 8.758 14 2H5* G 2 H5'2 G 2 8.414 8.671 10.339 15 H4* G 2 H4' G 2 7.438 10.075 8.521 16 H3* G 2 H3' G 2 5.619 8.047 9.846 17 H2* G 2 H2' G 2 3.817 9.127 8.642 18 2HO* G 2 HO2' G 2 4.828 11.294 8.879 19 H1* G 2 H1' G 2 5.161 9.156 6.273 20 H8 G 2 H8 G 2 6.174 5.896 7.891 21 H1 G 2 H1 G 2 0.124 5.860 5.699 22 1H2 G 2 H21 G 2 0.584 9.316 5.511 23 2H2 G 2 H22 G 2 -0.552 7.977 5.348 24 1H5* C 3 H5'1 C 3 3.607 11.810 10.231 25 2H5* C 3 H5'2 C 3 2.795 11.919 11.804 26 H4* C 3 H4' C 3 1.245 12.147 9.843 27 H3* C 3 H3' C 3 0.858 9.800 11.712 28 H2* C 3 H2' C 3 -1.172 9.346 10.487 29 2HO* C 3 HO2' C 3 -1.518 11.751 10.248 30 H1* C 3 H1' C 3 -0.040 9.735 8.019 31 1H4 C 3 H41 C 3 1.476 3.555 9.913 32 2H4 C 3 H42 C 3 -0.135 3.537 9.193 33 H5 C 3 H5 C 3 2.664 5.722 10.314 34 H6 C 3 H6 C 3 2.493 8.116 10.060 35 H2 P5P 4 H2 P 4 -1.447 1.717 12.929 36 H6 P5P 4 H6 P 4 1.998 3.875 13.781 37 H8 P5P 4 H8 P 4 -0.417 8.037 12.418 38 H1' P5P 4 H1' P 4 -3.093 5.787 11.041 39 H2' P5P 4 H2' P 4 -3.524 5.633 13.721 40 H3' P5P 4 H3' P 4 -2.880 7.900 14.178 41 H4' P5P 4 H4' P 4 -4.624 8.741 11.857 42 1H5' P5P 4 H5'1 P 4 -2.990 10.544 11.566 43 2H5' P5P 4 H5'2 P 4 -3.665 10.563 13.204 44 'HO2 P5P 4 HO2' P 4 -5.727 6.081 13.178 45 H2 P5P 5 H2 P 5 -7.097 -2.024 13.352 46 H6 P5P 5 H6 P 5 -3.279 -0.576 14.099 47 H8 P5P 5 H8 P 5 -5.168 4.050 14.244 48 H1' P5P 5 H1' P 5 -8.286 2.483 12.757 49 H2' P5P 5 H2' P 5 -8.417 2.008 15.442 50 H3' P5P 5 H3' P 5 -7.417 4.129 16.034 51 H4' P5P 5 H4' P 5 -9.330 5.358 14.029 52 1H5' P5P 5 H5'1 P 5 -7.556 7.056 13.758 53 2H5' P5P 5 H5'2 P 5 -8.150 6.972 15.426 54 'HO2 P5P 5 HO2' P 5 -10.589 2.994 15.202 55 1H5* G 6 H5'1 G 6 -11.285 2.407 16.985 56 2H5* G 6 H5'2 G 6 -11.418 2.198 18.743 57 H4* G 6 H4' G 6 -11.667 0.057 17.525 58 H3* G 6 H3' G 6 -9.159 0.304 19.212 59 H2* G 6 H2' G 6 -8.815 -2.054 18.745 60 2HO* G 6 HO2' G 6 -11.238 -2.417 18.743 61 H1* G 6 H1' G 6 -9.250 -1.761 16.076 62 H8 G 6 H8 G 6 -7.516 1.404 17.383 63 H1 G 6 H1 G 6 -3.588 -3.624 16.655 64 1H2 G 6 H21 G 6 -6.558 -5.430 16.354 65 2H2 G 6 H22 G 6 -4.799 -5.498 16.468 66 1H5* C 7 H5'1 C 7 -10.811 -3.406 20.365 67 2H5* C 7 H5'2 C 7 -10.738 -3.576 22.125 68 H4* C 7 H4' C 7 -9.618 -5.449 20.967 69 H3* C 7 H3' C 7 -7.784 -3.603 22.516 70 H2* C 7 H2' C 7 -6.110 -5.298 22.195 71 2HO* C 7 HO2' C 7 -6.532 -7.288 21.384 72 H1* C 7 H1' C 7 -6.736 -5.625 19.525 73 1H4 C 7 H41 C 7 -2.925 -0.220 19.998 74 2H4 C 7 H42 C 7 -1.845 -1.609 19.912 75 H5 C 7 H5 C 7 -5.365 -0.496 20.282 76 H6 C 7 H6 C 7 -7.160 -2.112 20.351 77 1H5* C 8 H5'1 C 8 -7.428 -7.638 23.976 78 2H5* C 8 H5'2 C 8 -7.115 -7.705 25.718 79 H4* C 8 H4' C 8 -5.399 -8.909 24.372 80 H3* C 8 H3' C 8 -4.451 -6.465 25.897 81 H2* C 8 H2' C 8 -2.220 -7.165 25.292 82 2HO* C 8 HO2' C 8 -2.939 -9.514 25.480 83 H1* C 8 H1' C 8 -2.874 -7.692 22.690 84 1H4 C 8 H41 C 8 -2.064 -1.130 22.996 85 2H4 C 8 H42 C 8 -0.497 -1.863 22.661 86 H5 C 8 H5 C 8 -4.043 -2.530 23.562 87 H6 C 8 H6 C 8 -4.814 -4.804 23.834 88 1H5* U 9 H5'1 U 9 -1.615 -9.359 27.009 89 2H5* U 9 H5'2 U 9 -1.270 -9.220 28.741 90 H4* U 9 H4' U 9 0.760 -8.896 27.360 91 H3* U 9 H3' U 9 -0.215 -6.453 28.882 92 H2* U 9 H2' U 9 1.804 -5.373 28.205 93 2HO* U 9 HO2' U 9 3.478 -6.534 27.161 94 H1* U 9 H1' U 9 1.722 -6.363 25.600 95 H3 U 9 H3 U 9 1.114 -1.818 25.492 96 H5 U 9 H5 U 9 -2.621 -3.341 26.661 97 H6 U 9 H6 U 9 -1.646 -5.550 26.767 98 H3T U 9 HO3' U 9 2.062 -8.007 29.391 99 1H5* G 1 H5'1 G 1 10.565 -2.740 21.701 100 2H5* G 1 H5'2 G 1 10.361 -2.855 19.944 101 H4* G 1 H4' G 1 9.481 -4.850 21.126 102 H3* G 1 H3' G 1 7.388 -3.131 19.771 103 H2* G 1 H2' G 1 5.874 -4.947 20.203 104 2HO* G 1 HO2' G 1 6.681 -6.880 20.116 105 H1* G 1 H1' G 1 6.769 -5.309 22.781 106 H8 G 1 H8 G 1 6.582 -1.577 22.099 107 H1 G 1 H1 G 1 0.801 -4.332 22.723 108 1H2 G 1 H21 G 1 2.639 -7.306 22.695 109 2H2 G 1 H22 G 1 1.042 -6.566 22.778 110 H5T G 1 H5' G 1 8.770 -1.379 21.771 111 1H5* G 2 H5'1 G 2 7.477 -7.241 18.201 112 2H5* G 2 H5'2 G 2 6.977 -7.310 16.502 113 H4* G 2 H4' G 2 5.657 -8.810 18.025 114 H3* G 2 H3' G 2 4.175 -6.599 16.583 115 H2* G 2 H2' G 2 2.151 -7.661 17.402 116 2HO* G 2 HO2' G 2 3.022 -9.859 17.188 117 H1* G 2 H1' G 2 3.070 -7.892 19.943 118 H8 G 2 H8 G 2 4.486 -4.614 18.663 119 H1 G 2 H1 G 2 -1.809 -4.304 19.911 120 1H2 G 2 H21 G 2 -1.594 -7.789 19.945 121 2H2 G 2 H22 G 2 -2.656 -6.380 19.987 122 1H5* C 3 H5'1 C 3 2.203 -10.290 15.602 123 2H5* C 3 H5'2 C 3 1.593 -10.293 13.940 124 H4* C 3 H4' C 3 -0.164 -10.639 15.698 125 H3* C 3 H3' C 3 -0.439 -8.188 13.952 126 H2* C 3 H2' C 3 -2.611 -7.911 14.963 127 2HO* C 3 HO2' C 3 -3.086 -10.223 15.126 128 H1* C 3 H1' C 3 -1.677 -8.256 17.486 129 1H4 C 3 H41 C 3 0.356 -2.125 16.221 130 2H4 C 3 H42 C 3 -1.353 -2.028 16.644 131 H5 C 3 H5 C 3 1.452 -4.312 15.816 132 H6 C 3 H6 C 3 1.116 -6.689 15.830 133 H2 P5P 4 H2 P 4 -0.741 -0.437 13.465 134 H6 P5P 4 H6 P 4 2.139 -3.329 12.703 135 H8 P5P 4 H8 P 4 -1.505 -6.750 12.525 136 H1' P5P 4 H1' P 4 -3.783 -3.873 13.760 137 H2' P5P 4 H2' P 4 -3.577 -4.064 11.043 138 H3' P5P 4 H3' P 4 -3.376 -6.467 11.021 139 H4' P5P 4 H4' P 4 -5.696 -6.486 12.969 140 1H5' P5P 4 H5'1 P 4 -4.625 -8.500 13.883 141 2H5' P5P 4 H5'2 P 4 -5.113 -8.697 12.193 142 'HO2 P5P 4 HO2' P 4 -5.911 -4.056 11.099 143 H2 P5P 5 H2 P 5 -6.602 4.087 10.619 144 H6 P5P 5 H6 P 5 -2.844 2.333 10.788 145 H8 P5P 5 H8 P 5 -5.002 -2.132 10.166 146 H1' P5P 5 H1' P 5 -8.267 -0.264 10.807 147 H2' P5P 5 H2' P 5 -7.578 0.051 8.169 148 H3' P5P 5 H3' P 5 -6.724 -2.197 7.962 149 H4' P5P 5 H4' P 5 -9.240 -3.048 9.428 150 1H5' P5P 5 H5'1 P 5 -7.823 -4.912 10.240 151 2H5' P5P 5 H5'2 P 5 -8.013 -4.909 8.477 152 'HO2 P5P 5 HO2' P 5 -9.839 -0.665 7.836 153 1H5* G 6 H5'1 G 6 -10.012 -0.140 5.982 154 2H5* G 6 H5'2 G 6 -9.651 0.006 4.251 155 H4* G 6 H4' G 6 -9.997 2.216 5.336 156 H3* G 6 H3' G 6 -7.188 1.649 4.356 157 H2* G 6 H2' G 6 -6.715 3.961 4.836 158 2HO* G 6 HO2' G 6 -8.276 5.414 5.440 159 H1* G 6 H1' G 6 -7.893 3.862 7.307 160 H8 G 6 H8 G 6 -6.103 0.547 6.562 161 H1 G 6 H1 G 6 -2.219 5.344 8.372 162 1H2 G 6 H21 G 6 -5.047 7.327 7.852 163 2H2 G 6 H22 G 6 -3.325 7.282 8.226 164 1H5* C 7 H5'1 C 7 -8.396 5.370 2.704 165 2H5* C 7 H5'2 C 7 -7.822 5.566 1.042 166 H4* C 7 H4' C 7 -7.080 7.411 2.513 167 H3* C 7 H3' C 7 -4.886 5.597 1.474 168 H2* C 7 H2' C 7 -3.354 7.271 2.329 169 2HO* C 7 HO2' C 7 -4.842 9.065 1.753 170 H1* C 7 H1' C 7 -4.666 7.492 4.721 171 1H4 C 7 H41 C 7 -1.120 1.913 5.180 172 2H4 C 7 H42 C 7 -0.070 3.237 5.672 173 H5 C 7 H5 C 7 -3.319 2.324 4.133 174 H6 C 7 H6 C 7 -4.930 4.029 3.577 175 1H5* C 8 H5'1 C 8 -3.917 9.637 0.238 176 2H5* C 8 H5'2 C 8 -3.186 9.626 -1.376 177 H4* C 8 H4' C 8 -1.741 10.713 0.329 178 H3* C 8 H3' C 8 -0.687 8.133 -0.869 179 H2* C 8 H2' C 8 1.390 8.671 0.249 180 2HO* C 8 HO2' C 8 0.959 11.060 -0.155 181 H1* C 8 H1' C 8 0.165 9.348 2.601 182 1H4 C 8 H41 C 8 0.399 2.729 2.570 183 2H4 C 8 H42 C 8 1.911 3.328 3.250 184 H5 C 8 H5 C 8 -1.260 4.285 1.563 185 H6 C 8 H6 C 8 -1.724 6.609 1.094 186 1H5* U 9 H5'1 U 9 2.583 10.659 -1.320 187 2H5* U 9 H5'2 U 9 3.292 10.450 -2.929 188 H4* U 9 H4' U 9 4.934 9.973 -1.165 189 H3* U 9 H3' U 9 4.044 7.562 -2.781 190 H2* U 9 H2' U 9 5.784 6.336 -1.673 191 2HO* U 9 HO2' U 9 7.167 8.397 -1.710 192 H1* U 9 H1' U 9 5.226 7.384 0.819 193 H3 U 9 H3 U 9 4.026 2.954 0.803 194 H5 U 9 H5 U 9 0.852 4.898 -1.142 195 H6 U 9 H6 U 9 2.103 6.961 -1.037 196 H3T U 9 HO3' U 9 5.893 8.053 -3.942 Start of MODEL 2 1 1H5* G 1 H5'1 G 1 12.655 2.310 6.491 2 2H5* G 1 H5'2 G 1 12.105 2.592 8.152 3 H4* G 1 H4' G 1 11.885 4.614 6.761 4 H3* G 1 H3' G 1 9.230 3.393 7.580 5 H2* G 1 H2' G 1 8.283 5.487 6.786 6 2HO* G 1 HO2' G 1 10.095 6.801 7.549 7 H1* G 1 H1' G 1 9.755 5.433 4.470 8 H8 G 1 H8 G 1 8.889 1.827 5.035 9 H1 G 1 H1 G 1 3.754 5.312 3.348 10 1H2 G 1 H21 G 1 5.892 8.026 3.873 11 2H2 G 1 H22 G 1 4.266 7.493 3.440 12 H5T G 1 H5' G 1 10.707 1.265 6.073 13 1H5* G 2 H5'1 G 2 9.419 7.483 9.091 14 2H5* G 2 H5'2 G 2 8.630 7.575 10.674 15 H4* G 2 H4' G 2 7.713 9.199 9.021 16 H3* G 2 H3' G 2 5.835 7.038 10.014 17 H2* G 2 H2' G 2 4.082 8.297 8.905 18 2HO* G 2 HO2' G 2 5.127 10.399 9.432 19 H1* G 2 H1' G 2 5.504 8.578 6.599 20 H8 G 2 H8 G 2 6.452 5.144 7.860 21 H1 G 2 H1 G 2 0.441 5.414 5.591 22 1H2 G 2 H21 G 2 0.933 8.865 5.801 23 2H2 G 2 H22 G 2 -0.211 7.565 5.465 24 1H5* C 3 H5'1 C 3 3.896 10.801 10.735 25 2H5* C 3 H5'2 C 3 3.061 10.779 12.297 26 H4* C 3 H4' C 3 1.577 11.325 10.341 27 H3* C 3 H3' C 3 0.991 8.865 12.005 28 H2* C 3 H2' C 3 -1.024 8.626 10.734 29 2HO* C 3 HO2' C 3 -1.222 11.074 10.731 30 H1* C 3 H1' C 3 0.120 9.244 8.302 31 1H4 C 3 H41 C 3 1.346 2.809 9.116 32 2H4 C 3 H42 C 3 -0.294 2.956 8.494 33 H5 C 3 H5 C 3 2.607 4.809 9.899 34 H6 C 3 H6 C 3 2.534 7.215 10.088 35 H2 P5P 4 H2 P 4 -1.396 1.101 10.878 36 H6 P5P 4 H6 P 4 2.004 2.753 12.595 37 H8 P5P 4 H8 P 4 -0.457 7.068 13.076 38 H1' P5P 4 H1' P 4 -3.269 5.282 11.081 39 H2' P5P 4 H2' P 4 -3.447 4.871 13.771 40 H3' P5P 4 H3' P 4 -2.631 7.045 14.378 41 H4' P5P 4 H4' P 4 -4.502 8.182 12.283 42 1H5' P5P 4 H5'1 P 4 -2.758 9.911 12.006 43 2H5' P5P 4 H5'2 P 4 -3.394 9.863 13.661 44 'HO2 P5P 4 HO2' P 4 -5.668 5.584 13.483 45 H2 P5P 5 H2 P 5 -10.262 -1.457 13.139 46 H6 P5P 5 H6 P 5 -6.172 -1.684 13.807 47 H8 P5P 5 H8 P 5 -6.048 3.327 14.015 48 H1' P5P 5 H1' P 5 -9.592 3.221 12.714 49 H2' P5P 5 H2' P 5 -9.745 2.434 15.336 50 H3' P5P 5 H3' P 5 -8.046 3.977 16.067 51 H4' P5P 5 H4' P 5 -9.533 6.025 14.389 52 1H5' P5P 5 H5'1 P 5 -7.326 7.097 14.171 53 2H5' P5P 5 H5'2 P 5 -7.864 6.998 15.856 54 'HO2 P5P 5 HO2' P 5 -11.402 4.231 15.403 55 1H5* G 6 H5'1 G 6 -11.433 2.610 17.167 56 2H5* G 6 H5'2 G 6 -11.527 2.364 18.922 57 H4* G 6 H4' G 6 -11.694 0.235 17.683 58 H3* G 6 H3' G 6 -9.165 0.581 19.318 59 H2* G 6 H2' G 6 -8.708 -1.746 18.806 60 2HO* G 6 HO2' G 6 -11.104 -2.242 18.849 61 H1* G 6 H1' G 6 -9.209 -1.450 16.151 62 H8 G 6 H8 G 6 -7.656 1.834 17.283 63 H1 G 6 H1 G 6 -3.428 -2.994 16.861 64 1H2 G 6 H21 G 6 -6.299 -4.959 16.497 65 2H2 G 6 H22 G 6 -4.541 -4.944 16.642 66 1H5* C 7 H5'1 C 7 -10.724 -3.202 20.447 67 2H5* C 7 H5'2 C 7 -10.589 -3.434 22.197 68 H4* C 7 H4' C 7 -9.475 -5.235 20.888 69 H3* C 7 H3' C 7 -7.664 -3.469 22.552 70 H2* C 7 H2' C 7 -5.956 -5.100 22.096 71 2HO* C 7 HO2' C 7 -6.340 -7.034 21.150 72 H1* C 7 H1' C 7 -6.591 -5.244 19.414 73 1H4 C 7 H41 C 7 -2.888 0.188 20.285 74 2H4 C 7 H42 C 7 -1.779 -1.169 20.123 75 H5 C 7 H5 C 7 -5.328 -0.151 20.507 76 H6 C 7 H6 C 7 -7.090 -1.804 20.454 77 1H5* C 8 H5'1 C 8 -7.205 -7.610 23.690 78 2H5* C 8 H5'2 C 8 -6.869 -7.804 25.418 79 H4* C 8 H4' C 8 -5.146 -8.864 23.965 80 H3* C 8 H3' C 8 -4.231 -6.530 25.670 81 H2* C 8 H2' C 8 -1.991 -7.133 24.994 82 2HO* C 8 HO2' C 8 -2.663 -9.504 24.998 83 H1* C 8 H1' C 8 -2.658 -7.458 22.362 84 1H4 C 8 H41 C 8 -2.010 -0.925 23.236 85 2H4 C 8 H42 C 8 -0.427 -1.586 22.828 86 H5 C 8 H5 C 8 -3.947 -2.420 23.684 87 H6 C 8 H6 C 8 -4.657 -4.727 23.759 88 1H5* U 9 H5'1 U 9 -1.314 -9.400 26.527 89 2H5* U 9 H5'2 U 9 -0.972 -9.405 28.266 90 H4* U 9 H4' U 9 1.047 -8.893 26.926 91 H3* U 9 H3' U 9 -0.012 -6.628 28.653 92 H2* U 9 H2' U 9 1.969 -5.423 28.081 93 2HO* U 9 HO2' U 9 3.680 -6.429 26.941 94 H1* U 9 H1' U 9 1.921 -6.179 25.400 95 H3 U 9 H3 U 9 1.151 -1.665 25.713 96 H5 U 9 H5 U 9 -2.541 -3.428 26.664 97 H6 U 9 H6 U 9 -1.482 -5.600 26.589 98 H3T U 9 HO3' U 9 2.317 -8.139 29.031 99 1H5* G 1 H5'1 G 1 10.224 -1.446 22.082 100 2H5* G 1 H5'2 G 1 10.232 -1.678 20.324 101 H4* G 1 H4' G 1 9.756 -3.790 21.402 102 H3* G 1 H3' G 1 7.333 -2.573 20.052 103 H2* G 1 H2' G 1 6.195 -4.650 20.520 104 2HO* G 1 HO2' G 1 8.236 -5.910 20.181 105 H1* G 1 H1' G 1 6.993 -4.737 23.118 106 H8 G 1 H8 G 1 6.632 -1.055 22.579 107 H1 G 1 H1 G 1 0.941 -4.050 22.704 108 1H2 G 1 H21 G 1 2.884 -6.950 22.532 109 2H2 G 1 H22 G 1 1.258 -6.268 22.601 110 H5T G 1 H5' G 1 9.083 0.201 20.923 111 1H5* G 2 H5'1 G 2 7.689 -6.556 18.524 112 2H5* G 2 H5'2 G 2 7.377 -6.575 16.781 113 H4* G 2 H4' G 2 5.903 -8.127 18.049 114 H3* G 2 H3' G 2 4.573 -5.794 16.648 115 H2* G 2 H2' G 2 2.474 -6.864 17.190 116 2HO* G 2 HO2' G 2 3.327 -9.055 16.858 117 H1* G 2 H1' G 2 3.172 -7.365 19.780 118 H8 G 2 H8 G 2 4.688 -3.989 18.970 119 H1 G 2 H1 G 2 -1.686 -3.807 19.838 120 1H2 G 2 H21 G 2 -1.428 -7.281 19.560 121 2H2 G 2 H22 G 2 -2.511 -5.898 19.719 122 1H5* C 3 H5'1 C 3 2.674 -9.413 15.182 123 2H5* C 3 H5'2 C 3 2.260 -9.237 13.467 124 H4* C 3 H4' C 3 0.293 -9.729 14.951 125 H3* C 3 H3' C 3 0.328 -7.113 13.424 126 H2* C 3 H2' C 3 -1.907 -6.783 14.208 127 2HO* C 3 HO2' C 3 -2.326 -9.171 13.953 128 H1* C 3 H1' C 3 -1.419 -7.643 16.774 129 1H4 C 3 H41 C 3 0.436 -1.277 16.461 130 2H4 C 3 H42 C 3 -1.288 -1.313 16.817 131 H5 C 3 H5 C 3 1.663 -3.347 15.831 132 H6 C 3 H6 C 3 1.459 -5.739 15.576 133 H2 P5P 4 H2 P 4 -3.634 0.422 14.360 134 H6 P5P 4 H6 P 4 0.211 -0.595 13.204 135 H8 P5P 4 H8 P 4 -1.330 -5.304 12.551 136 H1' P5P 4 H1' P 4 -4.582 -4.166 14.172 137 H2' P5P 4 H2' P 4 -4.632 -3.248 11.600 138 H3' P5P 4 H3' P 4 -3.520 -5.158 10.775 139 H4' P5P 4 H4' P 4 -5.385 -6.933 12.352 140 1H5' P5P 4 H5'1 P 4 -3.534 -8.469 12.430 141 2H5' P5P 4 H5'2 P 4 -3.865 -8.072 10.735 142 'HO2 P5P 4 HO2' P 4 -6.731 -4.937 12.099 143 H2 P5P 5 H2 P 5 -7.176 3.937 10.343 144 H6 P5P 5 H6 P 5 -3.765 1.698 11.106 145 H8 P5P 5 H8 P 5 -6.452 -2.457 10.380 146 H1' P5P 5 H1' P 5 -9.461 -0.112 10.388 147 H2' P5P 5 H2' P 5 -8.283 -0.118 7.923 148 H3' P5P 5 H3' P 5 -7.675 -2.437 8.013 149 H4' P5P 5 H4' P 5 -10.497 -2.949 8.973 150 1H5' P5P 5 H5'1 P 5 -9.470 -4.799 10.241 151 2H5' P5P 5 H5'2 P 5 -9.266 -4.993 8.491 152 'HO2 P5P 5 HO2' P 5 -10.321 0.618 8.088 153 1H5* G 6 H5'1 G 6 -10.402 -0.180 5.554 154 2H5* G 6 H5'2 G 6 -9.806 0.006 3.897 155 H4* G 6 H4' G 6 -10.206 2.177 5.065 156 H3* G 6 H3' G 6 -7.350 1.556 4.275 157 H2* G 6 H2' G 6 -6.853 3.854 4.912 158 2HO* G 6 HO2' G 6 -9.076 4.559 4.173 159 H1* G 6 H1' G 6 -8.133 3.650 7.295 160 H8 G 6 H8 G 6 -6.575 0.229 6.548 161 H1 G 6 H1 G 6 -2.304 4.664 8.390 162 1H2 G 6 H21 G 6 -4.967 6.875 7.899 163 2H2 G 6 H22 G 6 -3.253 6.706 8.272 164 1H5* C 7 H5'1 C 7 -8.205 5.451 2.787 165 2H5* C 7 H5'2 C 7 -7.571 5.641 1.147 166 H4* C 7 H4' C 7 -6.746 7.395 2.704 167 H3* C 7 H3' C 7 -4.679 5.466 1.621 168 H2* C 7 H2' C 7 -3.047 6.992 2.510 169 2HO* C 7 HO2' C 7 -3.552 8.969 3.333 170 H1* C 7 H1' C 7 -4.378 7.259 4.914 171 1H4 C 7 H41 C 7 -1.030 1.551 5.239 172 2H4 C 7 H42 C 7 0.131 2.830 5.582 173 H5 C 7 H5 C 7 -3.301 2.050 4.400 174 H6 C 7 H6 C 7 -4.862 3.825 3.903 175 1H5* C 8 H5'1 C 8 -3.614 9.478 0.587 176 2H5* C 8 H5'2 C 8 -2.894 9.598 -1.028 177 H4* C 8 H4' C 8 -1.440 10.563 0.740 178 H3* C 8 H3' C 8 -0.395 8.085 -0.663 179 H2* C 8 H2' C 8 1.692 8.522 0.473 180 2HO* C 8 HO2' C 8 1.266 10.938 0.267 181 H1* C 8 H1' C 8 0.502 9.010 2.885 182 1H4 C 8 H41 C 8 0.600 2.418 2.477 183 2H4 C 8 H42 C 8 2.148 2.951 3.134 184 H5 C 8 H5 C 8 -1.040 4.062 1.576 185 H6 C 8 H6 C 8 -1.456 6.415 1.233 186 1H5* U 9 H5'1 U 9 2.880 10.611 -0.961 187 2H5* U 9 H5'2 U 9 3.559 10.532 -2.595 188 H4* U 9 H4' U 9 5.229 9.889 -0.917 189 H3* U 9 H3' U 9 4.265 7.624 -2.693 190 H2* U 9 H2' U 9 6.003 6.287 -1.720 191 2HO* U 9 HO2' U 9 7.422 8.323 -1.632 192 H1* U 9 H1' U 9 5.522 7.155 0.857 193 H3 U 9 H3 U 9 4.226 2.768 0.597 194 H5 U 9 H5 U 9 1.056 4.889 -1.161 195 H6 U 9 H6 U 9 2.357 6.915 -0.968 196 H3T U 9 HO3' U 9 6.096 8.173 -3.854 Start of MODEL 3 1 1H5* G 1 H5'1 G 1 8.176 -5.812 9.170 2 2H5* G 1 H5'2 G 1 8.100 -4.975 10.733 3 H4* G 1 H4' G 1 9.562 -3.758 9.211 4 H3* G 1 H3' G 1 6.941 -2.395 9.868 5 H2* G 1 H2' G 1 7.700 -0.489 8.616 6 2HO* G 1 HO2' G 1 9.989 -0.949 9.407 7 H1* G 1 H1' G 1 8.598 -1.918 6.477 8 H8 G 1 H8 G 1 5.724 -4.065 7.272 9 H1 G 1 H1 G 1 3.802 1.639 5.015 10 1H2 G 1 H21 G 1 7.105 2.588 5.642 11 2H2 G 1 H22 G 1 5.504 3.092 5.093 12 H5T G 1 H5' G 1 6.019 -5.498 10.188 13 1H5* G 2 H5'1 G 2 9.678 0.728 10.510 14 2H5* G 2 H5'2 G 2 9.357 1.448 12.099 15 H4* G 2 H4' G 2 9.233 3.135 10.327 16 H3* G 2 H3' G 2 6.573 2.442 11.611 17 H2* G 2 H2' G 2 5.704 4.355 10.422 18 2HO* G 2 HO2' G 2 7.672 5.641 10.719 19 H1* G 2 H1' G 2 6.930 3.678 8.075 20 H8 G 2 H8 G 2 5.782 0.418 9.640 21 H1 G 2 H1 G 2 1.051 3.855 6.940 22 1H2 G 2 H21 G 2 3.424 6.425 7.037 23 2H2 G 2 H22 G 2 1.756 5.983 6.672 24 1H5* C 3 H5'1 C 3 7.111 6.715 12.166 25 2H5* C 3 H5'2 C 3 6.397 7.215 13.710 26 H4* C 3 H4' C 3 5.413 8.369 11.708 27 H3* C 3 H3' C 3 3.590 6.621 13.375 28 H2* C 3 H2' C 3 1.793 7.500 12.031 29 2HO* C 3 HO2' C 3 2.911 9.655 11.970 30 H1* C 3 H1' C 3 3.131 7.238 9.655 31 1H4 C 3 H41 C 3 0.603 1.257 11.058 32 2H4 C 3 H42 C 3 -0.606 2.188 10.190 33 H5 C 3 H5 C 3 2.742 2.339 11.809 34 H6 C 3 H6 C 3 4.005 4.395 11.777 35 H2 P5P 4 H2 P 4 -2.814 1.192 13.473 36 H6 P5P 4 H6 P 4 1.021 0.964 15.045 37 H8 P5P 4 H8 P 4 1.559 5.851 14.088 38 H1' P5P 4 H1' P 4 -1.601 5.577 12.066 39 H2' P5P 4 H2' P 4 -2.551 5.532 14.624 40 H3' P5P 4 H3' P 4 -0.791 6.977 15.448 41 H4' P5P 4 H4' P 4 -1.455 8.819 13.149 42 1H5' P5P 4 H5'1 P 4 0.882 9.474 13.216 43 2H5' P5P 4 H5'2 P 4 0.160 9.704 14.818 44 'HO2 P5P 4 HO2' P 4 -3.791 6.152 12.766 45 H2 P5P 5 H2 P 5 -9.276 0.736 13.406 46 H6 P5P 5 H6 P 5 -5.168 0.225 13.733 47 H8 P5P 5 H8 P 5 -4.782 5.039 15.046 48 H1' P5P 5 H1' P 5 -8.372 5.271 13.759 49 H2' P5P 5 H2' P 5 -8.402 4.685 16.443 50 H3' P5P 5 H3' P 5 -6.544 6.063 17.013 51 H4' P5P 5 H4' P 5 -7.669 8.201 15.184 52 1H5' P5P 5 H5'1 P 5 -5.221 8.626 14.730 53 2H5' P5P 5 H5'2 P 5 -5.757 8.947 16.390 54 'HO2 P5P 5 HO2' P 5 -9.812 6.694 16.450 55 1H5* G 6 H5'1 G 6 -10.400 6.101 18.723 56 2H5* G 6 H5'2 G 6 -10.199 6.090 20.489 57 H4* G 6 H4' G 6 -11.313 4.034 19.784 58 H3* G 6 H3' G 6 -8.429 3.633 20.622 59 H2* G 6 H2' G 6 -8.770 1.298 20.374 60 2HO* G 6 HO2' G 6 -10.758 0.368 20.080 61 H1* G 6 H1' G 6 -10.101 1.504 17.981 62 H8 G 6 H8 G 6 -7.195 4.017 18.398 63 H1 G 6 H1 G 6 -5.450 -1.819 16.354 64 1H2 G 6 H21 G 6 -8.700 -2.713 17.213 65 2H2 G 6 H22 G 6 -7.126 -3.253 16.634 66 1H5* C 7 H5'1 C 7 -10.527 0.678 22.803 67 2H5* C 7 H5'2 C 7 -9.828 0.482 24.419 68 H4* C 7 H4' C 7 -9.731 -1.615 23.094 69 H3* C 7 H3' C 7 -7.058 -0.331 23.704 70 H2* C 7 H2' C 7 -6.069 -2.336 22.834 71 2HO* C 7 HO2' C 7 -7.116 -4.175 22.577 72 H1* C 7 H1' C 7 -7.745 -2.440 20.653 73 1H4 C 7 H41 C 7 -2.937 1.916 19.269 74 2H4 C 7 H42 C 7 -2.436 0.352 18.643 75 H5 C 7 H5 C 7 -4.923 2.163 20.716 76 H6 C 7 H6 C 7 -6.858 1.014 21.594 77 1H5* C 8 H5'1 C 8 -7.140 -4.484 25.110 78 2H5* C 8 H5'2 C 8 -6.099 -4.717 26.523 79 H4* C 8 H4' C 8 -5.520 -6.213 24.612 80 H3* C 8 H3' C 8 -3.422 -4.178 25.417 81 H2* C 8 H2' C 8 -1.949 -5.356 23.901 82 2HO* C 8 HO2' C 8 -3.059 -7.469 24.514 83 H1* C 8 H1' C 8 -3.810 -5.532 21.907 84 1H4 C 8 H41 C 8 -1.221 0.587 21.715 85 2H4 C 8 H42 C 8 -0.287 -0.444 20.634 86 H5 C 8 H5 C 8 -3.007 -0.349 23.160 87 H6 C 8 H6 C 8 -4.148 -2.382 23.788 88 1H5* U 9 H5'1 U 9 -1.179 -7.707 25.235 89 2H5* U 9 H5'2 U 9 -0.077 -7.788 26.619 90 H4* U 9 H4' U 9 1.133 -7.836 24.456 91 H3* U 9 H3' U 9 1.574 -5.375 26.182 92 H2* U 9 H2' U 9 3.283 -4.745 24.636 93 2HO* U 9 HO2' U 9 3.963 -6.168 22.977 94 H1* U 9 H1' U 9 1.807 -5.442 22.380 95 H3 U 9 H3 U 9 2.401 -0.885 22.518 96 H5 U 9 H5 U 9 -0.755 -1.621 25.190 97 H6 U 9 H6 U 9 -0.416 -3.994 24.879 98 H3T U 9 HO3' U 9 3.376 -7.455 25.652 99 1H5* G 1 H5'1 G 1 8.819 -2.985 16.013 100 2H5* G 1 H5'2 G 1 8.235 -3.366 14.386 101 H4* G 1 H4' G 1 7.740 -5.232 15.819 102 H3* G 1 H3' G 1 5.269 -3.602 15.178 103 H2* G 1 H2' G 1 3.987 -5.271 16.341 104 2HO* G 1 HO2' G 1 5.520 -7.007 15.544 105 H1* G 1 H1' G 1 5.629 -5.363 18.505 106 H8 G 1 H8 G 1 5.945 -1.762 17.611 107 H1 G 1 H1 G 1 0.180 -3.143 20.105 108 1H2 G 1 H21 G 1 1.166 -6.456 19.602 109 2H2 G 1 H22 G 1 -0.099 -5.366 20.172 110 H5T G 1 H5' G 1 6.633 -1.914 14.596 111 1H5* G 2 H5'1 G 2 4.115 -7.590 14.427 112 2H5* G 2 H5'2 G 2 3.245 -7.700 12.888 113 H4* G 2 H4' G 2 1.922 -8.560 14.827 114 H3* G 2 H3' G 2 0.897 -6.122 13.359 115 H2* G 2 H2' G 2 -1.081 -6.277 14.684 116 2HO* G 2 HO2' G 2 -1.686 -8.307 14.936 117 H1* G 2 H1' G 2 0.231 -6.863 17.028 118 H8 G 2 H8 G 2 2.126 -4.102 15.210 119 H1 G 2 H1 G 2 -3.049 -2.124 18.505 120 1H2 G 2 H21 G 2 -3.795 -5.541 18.572 121 2H2 G 2 H22 G 2 -4.324 -3.921 19.016 122 1H5* C 3 H5'1 C 3 -2.072 -9.504 13.272 123 2H5* C 3 H5'2 C 3 -3.038 -9.424 11.783 124 H4* C 3 H4' C 3 -4.431 -9.376 13.860 125 H3* C 3 H3' C 3 -4.486 -6.897 12.119 126 H2* C 3 H2' C 3 -6.270 -6.112 13.535 127 2HO* C 3 HO2' C 3 -7.079 -8.398 13.733 128 H1* C 3 H1' C 3 -5.009 -6.817 15.856 129 1H4 C 3 H41 C 3 -1.970 -1.190 14.114 130 2H4 C 3 H42 C 3 -3.229 -0.815 15.270 131 H5 C 3 H5 C 3 -1.764 -3.481 13.147 132 H6 C 3 H6 C 3 -2.649 -5.712 13.229 133 H2 P5P 4 H2 P 4 -2.634 0.810 11.266 134 H6 P5P 4 H6 P 4 -0.443 -2.365 9.734 135 H8 P5P 4 H8 P 4 -4.422 -5.312 10.462 136 H1' P5P 4 H1' P 4 -5.875 -2.350 12.418 137 H2' P5P 4 H2' P 4 -6.261 -1.891 9.756 138 H3' P5P 4 H3' P 4 -6.652 -4.209 9.211 139 H4' P5P 4 H4' P 4 -8.488 -4.287 11.617 140 1H5' P5P 4 H5'1 P 4 -7.866 -6.614 11.809 141 2H5' P5P 4 H5'2 P 4 -8.464 -6.322 10.166 142 'HO2 P5P 4 HO2' P 4 -8.456 -1.455 10.408 143 H2 P5P 5 H2 P 5 -6.254 6.501 11.565 144 H6 P5P 5 H6 P 5 -3.505 3.383 11.537 145 H8 P5P 5 H8 P 5 -7.092 0.346 9.909 146 H1' P5P 5 H1' P 5 -9.469 3.148 10.931 147 H2' P5P 5 H2' P 5 -8.554 3.558 8.365 148 H3' P5P 5 H3' P 5 -8.603 1.231 7.784 149 H4' P5P 5 H4' P 5 -11.305 1.144 9.166 150 1H5' P5P 5 H5'1 P 5 -10.613 -1.228 9.674 151 2H5' P5P 5 H5'2 P 5 -10.905 -0.864 7.964 152 'HO2 P5P 5 HO2' P 5 -10.968 3.684 7.960 153 1H5* G 6 H5'1 G 6 -10.374 4.689 6.199 154 2H5* G 6 H5'2 G 6 -9.972 4.802 4.474 155 H4* G 6 H4' G 6 -9.112 6.747 5.689 156 H3* G 6 H3' G 6 -6.973 4.825 4.728 157 H2* G 6 H2' G 6 -5.367 6.481 5.431 158 2HO* G 6 HO2' G 6 -6.887 8.267 4.754 159 H1* G 6 H1' G 6 -6.570 6.923 7.840 160 H8 G 6 H8 G 6 -6.838 3.217 6.827 161 H1 G 6 H1 G 6 -1.201 4.865 9.439 162 1H2 G 6 H21 G 6 -2.354 8.125 8.968 163 2H2 G 6 H22 G 6 -1.005 7.092 9.439 164 1H5* C 7 H5'1 C 7 -5.685 8.606 3.250 165 2H5* C 7 H5'2 C 7 -4.997 8.412 1.629 166 H4* C 7 H4' C 7 -3.367 9.376 3.228 167 H3* C 7 H3' C 7 -2.727 6.582 2.251 168 H2* C 7 H2' C 7 -0.578 6.897 3.282 169 2HO* C 7 HO2' C 7 0.111 8.825 4.092 170 H1* C 7 H1' C 7 -1.666 7.963 5.586 171 1H4 C 7 H41 C 7 -2.195 1.365 6.000 172 2H4 C 7 H42 C 7 -0.638 1.816 6.684 173 H5 C 7 H5 C 7 -3.597 3.000 4.781 174 H6 C 7 H6 C 7 -3.836 5.340 4.221 175 1H5* C 8 H5'1 C 8 0.613 9.172 1.404 176 2H5* C 8 H5'2 C 8 1.397 8.741 -0.125 177 H4* C 8 H4' C 8 2.981 8.730 1.794 178 H3* C 8 H3' C 8 2.420 6.048 0.505 179 H2* C 8 H2' C 8 4.231 5.205 1.831 180 2HO* C 8 HO2' C 8 5.534 6.528 3.084 181 H1* C 8 H1' C 8 3.393 6.491 4.116 182 1H4 C 8 H41 C 8 -0.247 0.990 3.587 183 2H4 C 8 H42 C 8 1.220 0.598 4.482 184 H5 C 8 H5 C 8 -0.548 3.222 2.533 185 H6 C 8 H6 C 8 0.483 5.384 2.203 186 1H5* U 9 H5'1 U 9 6.578 6.214 0.568 187 2H5* U 9 H5'2 U 9 7.255 5.602 -0.949 188 H4* U 9 H4' U 9 8.063 4.315 1.000 189 H3* U 9 H3' U 9 6.277 2.834 -0.955 190 H2* U 9 H2' U 9 6.729 0.842 0.268 191 2HO* U 9 HO2' U 9 8.321 0.784 1.909 192 H1* U 9 H1' U 9 6.530 2.033 2.771 193 H3 U 9 H3 U 9 3.082 -0.941 2.275 194 H5 U 9 H5 U 9 1.856 2.447 0.118 195 H6 U 9 H6 U 9 4.025 3.436 0.512 196 H3T U 9 HO3' U 9 9.013 2.453 -0.494
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