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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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6995 |
1jur ![]() ![]() |
cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 1 H5' G 1 34.955 0.425 11.686 2 2H5* G 1 H5'' G 1 33.613 0.120 10.587 3 H4* G 1 H4' G 1 33.101 2.006 11.946 4 H3* G 1 H3' G 1 33.716 2.953 9.124 5 H2* G 1 H2' G 1 32.876 4.929 9.813 6 2HO* G 1 2HO' G 1 31.183 4.917 11.163 7 H1* G 1 H1' G 1 34.053 4.812 12.373 8 H8 G 1 H8 G 1 35.705 4.165 9.037 9 H1 G 1 H1 G 1 35.330 10.359 10.528 10 1H2 G 1 H21 G 1 33.181 9.258 12.953 11 2H2 G 1 H22 G 1 33.870 10.620 12.084 12 H5T G 1 H5T G 1 34.842 1.102 8.928 13 1H5* G 2 H5' G 2 29.627 3.780 10.551 14 2H5* G 2 H5'' G 2 28.497 4.059 9.237 15 H4* G 2 H4' G 2 28.623 5.853 10.987 16 H3* G 2 H3' G 2 29.094 6.653 8.085 17 H2* G 2 H2' G 2 28.938 8.873 8.886 18 2HO* G 2 2HO' G 2 27.221 8.137 10.546 19 H1* G 2 H1' G 2 30.490 8.297 11.221 20 H8 G 2 H8 G 2 32.649 6.721 8.885 21 H1 G 2 H1 G 2 32.578 12.982 7.648 22 1H2 G 2 H21 G 2 29.845 13.069 9.713 23 2H2 G 2 H22 G 2 30.956 13.975 8.693 24 1H5* C 3 H5' C 3 25.807 8.782 8.731 25 2H5* C 3 H5'' C 3 24.611 8.539 7.456 26 H4* C 3 H4' C 3 25.169 10.821 7.542 27 H3* C 3 H3' C 3 26.519 9.637 5.090 28 H2* C 3 H2' C 3 26.811 11.904 4.452 29 2HO* C 3 2HO' C 3 25.032 13.037 5.354 30 H1* C 3 H1' C 3 27.902 12.463 6.985 31 1H4 C 3 H41 C 3 33.087 9.451 4.439 32 2H4 C 3 H42 C 3 33.061 11.023 3.647 33 H5 C 3 H5 C 3 31.219 8.620 5.778 34 H6 C 3 H6 C 3 29.046 9.158 6.638 35 1H5* C 4 H5' C 4 24.567 12.228 3.014 36 2H5* C 4 H5'' C 4 23.632 11.517 1.688 37 H4* C 4 H4' C 4 25.153 13.088 0.767 38 H3* C 4 H3' C 4 26.023 10.246 0.152 39 H2* C 4 H2' C 4 27.713 11.208 -1.216 40 2HO* C 4 2HO' C 4 27.879 13.468 -1.515 41 H1* C 4 H1' C 4 28.638 12.790 0.850 42 1H4 C 4 H41 C 4 30.296 7.051 3.524 43 2H4 C 4 H42 C 4 31.503 7.219 2.264 44 H5 C 4 H5 C 4 28.449 8.460 3.780 45 H6 C 4 H6 C 4 27.338 10.378 2.987 46 1H5* U 5 H5' U 5 25.885 11.636 -3.492 47 2H5* U 5 H5'' U 5 24.930 10.683 -4.642 48 H4* U 5 H4' U 5 27.191 10.782 -5.393 49 H3* U 5 H3' U 5 26.536 8.002 -4.332 50 H2* U 5 H2' U 5 28.613 7.353 -5.186 51 2HO* U 5 2HO' U 5 28.714 8.928 -7.023 52 H1* U 5 H1' U 5 29.918 9.396 -3.830 53 H3 U 5 H3 U 5 30.241 5.369 -1.543 54 H5 U 5 H5 U 5 27.219 7.588 0.294 55 H6 U 5 H6 U 5 27.236 9.011 -1.591 56 1H5* G 6 H5' G 6 27.978 7.429 -8.037 57 2H5* G 6 H5'' G 6 27.025 6.309 -9.014 58 H4* G 6 H4' G 6 29.314 5.595 -8.876 59 H3* G 6 H3' G 6 27.429 3.730 -7.391 60 H2* G 6 H2' G 6 29.284 2.274 -7.217 61 2HO* G 6 2HO' G 6 30.266 3.277 -9.348 62 H1* G 6 H1' G 6 30.860 4.175 -6.203 63 H8 G 6 H8 G 6 27.499 5.202 -4.824 64 H1 G 6 H1 G 6 30.371 0.295 -1.865 65 1H2 G 6 H21 G 6 32.176 0.105 -4.826 66 2H2 G 6 H22 G 6 31.844 -0.635 -3.269 67 1H5* A 7 H5' A 7 29.524 1.412 -10.044 68 2H5* A 7 H5'' A 7 28.497 0.230 -10.855 69 H4* A 7 H4' A 7 30.347 -0.859 -9.853 70 H3* A 7 H3' A 7 27.785 -1.521 -8.378 71 H2* A 7 H2' A 7 29.080 -3.218 -7.336 72 2HO* A 7 2HO' A 7 30.550 -3.232 -9.487 73 H1* A 7 H1' A 7 31.143 -1.432 -6.738 74 H8 A 7 H8 A 7 28.358 0.757 -6.156 75 1H6 A 7 H61 A 7 26.941 -0.627 -1.818 76 2H6 A 7 H62 A 7 27.175 -2.048 -0.825 77 H2 A 7 H2 A 7 29.834 -4.784 -3.221 78 1H5* G 8 H5' G 8 29.114 -5.120 -9.746 79 2H5* G 8 H5'' G 8 27.855 -6.143 -10.449 80 H4* G 8 H4' G 8 29.003 -7.276 -8.632 81 H3* G 8 H3' G 8 26.106 -6.599 -7.959 82 H2* G 8 H2' G 8 26.426 -7.891 -6.004 83 2HO* G 8 2HO' G 8 28.080 -9.338 -7.284 84 H1* G 8 H1' G 8 28.867 -6.610 -5.418 85 H8 G 8 H8 G 8 26.851 -3.841 -6.733 86 H1 G 8 H1 G 8 25.526 -5.552 -0.695 87 1H2 G 8 H21 G 8 27.259 -8.375 -1.466 88 2H2 G 8 H22 G 8 26.410 -7.448 -0.244 89 1H5* G 9 H5' G 9 22.612 -7.336 -9.500 90 2H5* G 9 H5'' G 9 23.615 -6.330 -8.446 91 H4* G 9 H4' G 9 21.798 -8.515 -7.522 92 H3* G 9 H3' G 9 21.262 -5.559 -7.771 93 H2* G 9 H2' G 9 20.301 -5.389 -5.767 94 2HO* G 9 2HO' G 9 19.171 -7.717 -6.171 95 H1* G 9 H1' G 9 21.874 -7.396 -4.375 96 H8 G 9 H8 G 9 23.692 -4.933 -6.362 97 H1 G 9 H1 G 9 20.863 -2.342 -1.198 98 1H2 G 9 H21 G 9 19.844 -5.603 -0.621 99 2H2 G 9 H22 G 9 19.827 -3.944 -0.066 100 1H5* A 10 H5' A 10 15.972 -6.168 -7.323 101 2H5* A 10 H5'' A 10 17.577 -6.220 -6.613 102 H4* A 10 H4' A 10 15.891 -8.559 -7.496 103 H3* A 10 H3' A 10 16.963 -7.730 -4.762 104 H2* A 10 H2' A 10 16.777 -9.939 -4.173 105 2HO* A 10 2HO' A 10 14.738 -10.541 -4.838 106 H1* A 10 H1' A 10 17.261 -10.788 -6.931 107 H8 A 10 H8 A 10 20.489 -9.447 -6.294 108 1H6 A 10 H61 A 10 22.550 -13.366 -4.221 109 2H6 A 10 H62 A 10 21.878 -14.700 -3.291 110 H2 A 10 H2 A 10 17.491 -14.119 -3.079 111 1H5* G 11 H5' G 11 14.472 -7.248 -0.724 112 2H5* G 11 H5'' G 11 16.061 -7.227 -1.511 113 H4* G 11 H4' G 11 14.583 -9.679 -0.542 114 H3* G 11 H3' G 11 17.174 -8.349 0.391 115 H2* G 11 H2' G 11 17.970 -10.505 0.880 116 2HO* G 11 2HO' G 11 15.974 -11.442 1.704 117 H1* G 11 H1' G 11 17.073 -11.643 -1.495 118 H8 G 11 H8 G 11 18.205 -8.456 -2.780 119 H1 G 11 H1 G 11 23.075 -12.313 -1.187 120 1H2 G 11 H21 G 11 20.737 -13.849 0.820 121 2H2 G 11 H22 G 11 22.410 -13.799 0.290 122 1H5* A 12 H5' A 12 16.407 -10.633 3.755 123 2H5* A 12 H5'' A 12 16.785 -9.830 5.289 124 H4* A 12 H4' A 12 18.306 -11.728 4.869 125 H3* A 12 H3' A 12 19.833 -9.177 4.419 126 H2* A 12 H2' A 12 21.750 -10.165 4.560 127 2HO* A 12 2HO' A 12 21.518 -12.158 5.676 128 H1* A 12 H1' A 12 20.686 -11.627 2.661 129 H8 A 12 H8 A 12 19.097 -8.275 2.141 130 1H6 A 12 H61 A 12 23.591 -7.289 -1.987 131 2H6 A 12 H62 A 12 21.896 -6.943 -1.680 132 H2 A 12 H2 A 12 24.993 -10.084 1.054 133 1H5* C 13 H5' C 13 23.229 -7.935 8.246 134 2H5* C 13 H5'' C 13 22.592 -6.962 6.897 135 H4* C 13 H4' C 13 24.199 -9.517 6.565 136 H3* C 13 H3' C 13 25.073 -6.629 6.012 137 H2* C 13 H2' C 13 26.505 -7.574 4.467 138 2HO* C 13 2HO' C 13 27.286 -9.561 4.943 139 H1* C 13 H1' C 13 24.311 -9.390 3.579 140 1H4 C 13 H41 C 13 22.748 -4.058 0.239 141 2H4 C 13 H42 C 13 24.411 -4.104 -0.299 142 H5 C 13 H5 C 13 21.803 -5.604 1.741 143 H6 C 13 H6 C 13 22.174 -7.198 3.403 144 1H5* U 14 H5' U 14 28.761 -8.724 6.169 145 2H5* U 14 H5'' U 14 30.081 -7.685 6.699 146 H4* U 14 H4' U 14 30.292 -8.720 4.444 147 H3* U 14 H3' U 14 30.558 -5.678 4.436 148 H2* U 14 H2' U 14 31.196 -6.036 2.172 149 2HO* U 14 2HO' U 14 32.090 -8.352 2.845 150 H1* U 14 H1' U 14 29.127 -7.677 1.625 151 H3 U 14 H3 U 14 28.113 -3.754 -0.495 152 H5 U 14 H5 U 14 26.560 -3.374 3.398 153 H6 U 14 H6 U 14 27.783 -5.322 4.014 154 1H5* C 15 H5' C 15 33.819 -7.164 2.287 155 2H5* C 15 H5'' C 15 35.259 -6.182 2.535 156 H4* C 15 H4' C 15 34.596 -6.283 0.189 157 H3* C 15 H3' C 15 34.426 -3.502 1.391 158 H2* C 15 H2' C 15 34.076 -2.759 -0.767 159 2HO* C 15 2HO' C 15 34.259 -3.999 -2.615 160 H1* C 15 H1' C 15 32.197 -4.817 -1.365 161 1H4 C 15 H41 C 15 28.902 -0.050 1.818 162 2H4 C 15 H42 C 15 29.182 0.610 0.212 163 H5 C 15 H5 C 15 29.875 -2.131 2.561 164 H6 C 15 H6 C 15 31.218 -4.014 1.898 165 1H5* A 16 H5' A 16 36.893 -3.333 -1.801 166 2H5* A 16 H5'' A 16 38.370 -2.385 -1.580 167 H4* A 16 H4' A 16 36.942 -1.552 -3.443 168 H3* A 16 H3' A 16 37.315 0.329 -1.082 169 H2* A 16 H2' A 16 36.136 1.846 -2.162 170 2HO* A 16 2HO' A 16 36.982 1.943 -4.273 171 H1* A 16 H1' A 16 34.392 -0.170 -3.332 172 H8 A 16 H8 A 16 34.798 -0.104 -0.232 173 1H6 A 16 H61 A 16 31.329 3.144 1.476 174 2H6 A 16 H62 A 16 30.548 4.470 0.636 175 H2 A 16 H2 A 16 32.217 4.473 -3.537 176 1H5* G 17 H5' G 17 38.510 2.532 -4.529 177 2H5* G 17 H5'' G 17 39.793 3.645 -4.068 178 H4* G 17 H4' G 17 37.828 4.843 -4.914 179 H3* G 17 H3' G 17 38.408 5.271 -1.974 180 H2* G 17 H2' G 17 36.865 6.830 -1.938 181 2HO* G 17 2HO' G 17 36.007 7.960 -3.696 182 H1* G 17 H1' G 17 35.055 5.446 -3.743 183 H8 G 17 H8 G 17 36.741 4.059 -0.703 184 H1 G 17 H1 G 17 32.044 8.111 0.695 185 1H2 G 17 H21 G 17 31.981 8.646 -2.670 186 2H2 G 17 H22 G 17 31.411 9.129 -1.080 187 1H5* A 18 H5' A 18 40.131 8.977 -4.522 188 2H5* A 18 H5'' A 18 41.747 8.995 -3.817 189 H4* A 18 H4' A 18 41.489 11.044 -3.910 190 H3* A 18 H3' A 18 41.282 10.449 -1.315 191 H2* A 18 H2' A 18 39.043 10.179 -1.278 192 2HO* A 18 2HO' A 18 39.809 12.640 -0.284 193 H1* A 18 H1' A 18 38.639 12.779 -2.757 194 H8 A 18 H8 A 18 37.267 9.318 -1.975 195 1H6 A 18 H61 A 18 31.739 11.896 -3.395 196 2H6 A 18 H62 A 18 32.492 10.537 -2.556 197 H2 A 18 H2 A 18 34.914 14.615 -4.762 198 1H5* A 19 H5' A 19 41.016 16.242 -1.662 199 2H5* A 19 H5'' A 19 40.040 14.992 -0.884 200 H4* A 19 H4' A 19 39.151 16.517 -3.312 201 H3* A 19 H3' A 19 38.929 17.367 -0.540 202 H2* A 19 H2' A 19 36.837 17.079 -0.271 203 2HO* A 19 2HO' A 19 36.553 19.125 -1.431 204 H1* A 19 H1' A 19 36.358 16.236 -3.115 205 H8 A 19 H8 A 19 36.495 13.396 -0.758 206 1H6 A 19 H61 A 19 31.779 12.872 0.158 207 2H6 A 19 H62 A 19 30.405 13.968 0.111 208 H2 A 19 H2 A 19 31.938 17.851 -1.456 209 1H5* G 20 H5' G 20 38.031 20.875 1.627 210 2H5* G 20 H5'' G 20 38.024 19.114 1.433 211 H4* G 20 H4' G 20 35.593 20.854 0.964 212 H3* G 20 H3' G 20 36.311 19.225 3.449 213 H2* G 20 H2' G 20 33.979 18.879 3.704 214 2HO* G 20 2HO' G 20 33.415 21.107 2.844 215 H1* G 20 H1' G 20 33.622 18.281 0.997 216 H8 G 20 H8 G 20 36.884 16.704 1.963 217 H1 G 20 H1 G 20 31.722 13.228 3.491 218 1H2 G 20 H21 G 20 30.080 16.266 3.327 219 2H2 G 20 H22 G 20 29.966 14.544 3.647 220 1H5* C 21 H5' C 21 33.296 21.424 4.953 221 2H5* C 21 H5'' C 21 33.686 22.058 6.556 222 H4* C 21 H4' C 21 31.754 20.703 6.732 223 H3* C 21 H3' C 21 34.137 19.216 7.920 224 H2* C 21 H2' C 21 32.546 17.685 8.748 225 2HO* C 21 2HO' C 21 30.870 19.691 8.776 226 H1* C 21 H1' C 21 31.204 17.597 6.274 227 1H4 C 21 H41 C 21 36.468 13.620 5.700 228 2H4 C 21 H42 C 21 35.165 12.629 6.352 229 H5 C 21 H5 C 21 36.202 16.012 5.300 230 H6 C 21 H6 C 21 34.761 17.892 5.648 231 1H5* C 22 H5' C 22 31.948 19.059 11.143 232 2H5* C 22 H5'' C 22 32.851 19.702 12.524 233 H4* C 22 H4' C 22 32.272 17.489 13.068 234 H3* C 22 H3' C 22 35.172 17.440 12.147 235 H2* C 22 H2' C 22 35.229 15.313 12.878 236 2HO* C 22 2HO' C 22 33.508 14.382 14.232 237 H1* C 22 H1' C 22 32.402 14.876 12.170 238 1H4 C 22 H41 C 22 37.187 12.482 8.165 239 2H4 C 22 H42 C 22 36.473 11.069 8.910 240 H5 C 22 H5 C 22 36.527 14.725 8.657 241 H6 C 22 H6 C 22 35.007 16.109 9.973 242 H3T C 22 H3T C 22 35.517 17.608 14.415 Start of MODEL 2 1 1H5* G 1 H5' G 1 43.628 2.073 12.767 2 2H5* G 1 H5'' G 1 42.325 1.092 12.100 3 H4* G 1 H4' G 1 41.451 3.061 13.158 4 H3* G 1 H3' G 1 41.110 3.243 10.139 5 H2* G 1 H2' G 1 39.724 4.990 10.647 6 2HO* G 1 2HO' G 1 38.530 4.856 12.447 7 H1* G 1 H1' G 1 41.365 6.052 12.574 8 H8 G 1 H8 G 1 42.310 4.779 9.091 9 H1 G 1 H1 G 1 41.093 11.043 9.376 10 1H2 G 1 H21 G 1 39.810 10.263 12.486 11 2H2 G 1 H22 G 1 39.997 11.475 11.234 12 H5T G 1 H5T G 1 43.929 2.907 10.608 13 1H5* G 2 H5' G 2 37.258 3.407 12.172 14 2H5* G 2 H5'' G 2 35.935 3.065 11.072 15 H4* G 2 H4' G 2 35.795 5.235 12.196 16 H3* G 2 H3' G 2 35.864 5.393 9.153 17 H2* G 2 H2' G 2 35.217 7.673 9.511 18 2HO* G 2 2HO' G 2 34.021 6.948 11.641 19 H1* G 2 H1' G 2 37.180 8.046 11.469 20 H8 G 2 H8 G 2 38.987 5.933 9.082 21 H1 G 2 H1 G 2 38.161 11.816 6.786 22 1H2 G 2 H21 G 2 35.653 12.048 9.100 23 2H2 G 2 H22 G 2 36.522 12.805 7.772 24 1H5* C 3 H5' C 3 32.163 6.796 9.870 25 2H5* C 3 H5'' C 3 30.956 6.123 8.774 26 H4* C 3 H4' C 3 31.041 8.481 8.494 27 H3* C 3 H3' C 3 32.263 7.098 6.074 28 H2* C 3 H2' C 3 32.310 9.235 5.082 29 2HO* C 3 2HO' C 3 30.341 10.155 5.987 30 H1* C 3 H1' C 3 33.430 10.415 7.380 31 1H4 C 3 H41 C 3 38.569 7.329 4.629 32 2H4 C 3 H42 C 3 38.454 8.882 3.821 33 H5 C 3 H5 C 3 36.861 6.539 6.185 34 H6 C 3 H6 C 3 34.794 7.093 7.245 35 1H5* C 4 H5' C 4 29.575 8.975 4.020 36 2H5* C 4 H5'' C 4 28.360 7.892 3.323 37 H4* C 4 H4' C 4 29.204 9.290 1.603 38 H3* C 4 H3' C 4 30.117 6.402 1.324 39 H2* C 4 H2' C 4 31.110 7.029 -0.707 40 2HO* C 4 2HO' C 4 29.517 8.834 -1.176 41 H1* C 4 H1' C 4 32.530 9.117 0.452 42 1H4 C 4 H41 C 4 35.490 4.033 3.462 43 2H4 C 4 H42 C 4 35.961 3.794 1.784 44 H5 C 4 H5 C 4 33.994 5.773 4.170 45 H6 C 4 H6 C 4 32.568 7.535 3.457 46 1H5* U 5 H5' U 5 28.360 6.728 -2.279 47 2H5* U 5 H5'' U 5 27.286 5.365 -2.639 48 H4* U 5 H4' U 5 29.135 5.516 -4.164 49 H3* U 5 H3' U 5 29.383 2.941 -2.484 50 H2* U 5 H2' U 5 31.044 2.409 -3.995 51 2HO* U 5 2HO' U 5 29.845 4.143 -5.650 52 H1* U 5 H1' U 5 32.338 4.842 -3.638 53 H3 U 5 H3 U 5 34.381 1.415 -1.324 54 H5 U 5 H5 U 5 31.907 3.370 1.419 55 H6 U 5 H6 U 5 30.892 4.494 -0.418 56 1H5* G 6 H5' G 6 29.239 1.895 -6.448 57 2H5* G 6 H5'' G 6 28.354 0.395 -6.739 58 H4* G 6 H4' G 6 30.636 0.280 -7.520 59 H3* G 6 H3' G 6 30.107 -1.602 -5.195 60 H2* G 6 H2' G 6 32.227 -2.528 -5.770 61 2HO* G 6 2HO' G 6 33.028 -2.203 -7.768 62 H1* G 6 H1' G 6 33.435 -0.197 -5.634 63 H8 G 6 H8 G 6 30.747 0.310 -3.041 64 H1 G 6 H1 G 6 35.510 -3.638 -1.293 65 1H2 G 6 H21 G 6 36.302 -3.539 -4.650 66 2H2 G 6 H22 G 6 36.666 -4.223 -3.073 67 1H5* A 7 H5' A 7 31.621 -3.618 -8.488 68 2H5* A 7 H5'' A 7 30.864 -5.179 -8.766 69 H4* A 7 H4' A 7 33.282 -5.338 -8.745 70 H3* A 7 H3' A 7 31.906 -6.829 -6.499 71 H2* A 7 H2' A 7 33.982 -7.754 -6.023 72 2HO* A 7 2HO' A 7 34.784 -7.780 -8.336 73 H1* A 7 H1' A 7 35.287 -5.309 -6.024 74 H8 A 7 H8 A 7 32.312 -4.149 -4.588 75 1H6 A 7 H61 A 7 32.591 -5.760 -0.107 76 2H6 A 7 H62 A 7 33.529 -6.983 0.725 77 H2 A 7 H2 A 7 36.051 -8.922 -2.494 78 1H5* G 8 H5' G 8 33.826 -9.998 -8.396 79 2H5* G 8 H5'' G 8 32.691 -11.328 -8.678 80 H4* G 8 H4' G 8 34.569 -12.107 -7.406 81 H3* G 8 H3' G 8 32.070 -11.991 -5.670 82 H2* G 8 H2' G 8 33.347 -13.165 -4.066 83 2HO* G 8 2HO' G 8 34.722 -14.509 -5.330 84 H1* G 8 H1' G 8 35.446 -11.293 -4.260 85 H8 G 8 H8 G 8 32.377 -9.299 -4.870 86 H1 G 8 H1 G 8 33.373 -10.793 1.282 87 1H2 G 8 H21 G 8 35.693 -12.945 0.065 88 2H2 G 8 H22 G 8 34.960 -12.207 1.479 89 1H5* G 9 H5' G 9 31.894 -15.576 -4.674 90 2H5* G 9 H5'' G 9 30.460 -16.325 -5.386 91 H4* G 9 H4' G 9 30.227 -16.620 -3.198 92 H3* G 9 H3' G 9 28.467 -14.292 -3.960 93 H2* G 9 H2' G 9 27.721 -14.014 -1.856 94 2HO* G 9 2HO' G 9 27.788 -16.591 -1.494 95 H1* G 9 H1' G 9 30.193 -14.595 -0.531 96 H8 G 9 H8 G 9 30.137 -12.571 -3.564 97 H1 G 9 H1 G 9 27.905 -9.432 1.575 98 1H2 G 9 H21 G 9 28.428 -12.502 3.113 99 2H2 G 9 H22 G 9 27.857 -10.859 3.310 100 1H5* A 10 H5' A 10 24.036 -16.386 -2.216 101 2H5* A 10 H5'' A 10 25.659 -15.764 -1.932 102 H4* A 10 H4' A 10 24.742 -18.635 -1.801 103 H3* A 10 H3' A 10 25.962 -16.812 0.328 104 H2* A 10 H2' A 10 26.618 -18.778 1.382 105 2HO* A 10 2HO' A 10 24.511 -19.859 1.077 106 H1* A 10 H1' A 10 26.890 -20.135 -1.179 107 H8 A 10 H8 A 10 29.455 -17.785 -1.795 108 1H6 A 10 H61 A 10 33.222 -21.257 1.730 109 2H6 A 10 H62 A 10 33.174 -20.112 0.396 110 H2 A 10 H2 A 10 29.052 -21.998 3.037 111 1H5* G 11 H5' G 11 24.419 -15.846 4.648 112 2H5* G 11 H5'' G 11 25.706 -15.715 3.437 113 H4* G 11 H4' G 11 25.342 -17.992 5.392 114 H3* G 11 H3' G 11 27.467 -15.804 5.170 115 H2* G 11 H2' G 11 29.055 -17.381 5.825 116 2HO* G 11 2HO' G 11 27.826 -18.561 7.416 117 H1* G 11 H1' G 11 28.175 -19.393 4.127 118 H8 G 11 H8 G 11 27.633 -16.571 1.950 119 H1 G 11 H1 G 11 33.854 -17.949 2.631 120 1H2 G 11 H21 G 11 34.174 -19.092 4.484 121 2H2 G 11 H22 G 11 32.822 -19.551 5.506 122 1H5* A 12 H5' A 12 28.490 -16.922 9.088 123 2H5* A 12 H5'' A 12 28.885 -15.524 10.105 124 H4* A 12 H4' A 12 30.869 -16.949 9.602 125 H3* A 12 H3' A 12 31.129 -14.341 8.114 126 H2* A 12 H2' A 12 33.215 -14.662 7.701 127 2HO* A 12 2HO' A 12 34.107 -16.140 9.206 128 H1* A 12 H1' A 12 32.333 -16.881 6.717 129 H8 A 12 H8 A 12 29.498 -14.483 6.095 130 1H6 A 12 H61 A 12 32.279 -13.339 0.682 131 2H6 A 12 H62 A 12 30.691 -13.376 1.440 132 H2 A 12 H2 A 12 35.219 -14.785 3.574 133 1H5* C 13 H5' C 13 35.639 -12.118 10.701 134 2H5* C 13 H5'' C 13 34.445 -11.181 9.802 135 H4* C 13 H4' C 13 35.991 -13.570 8.734 136 H3* C 13 H3' C 13 36.117 -10.623 7.879 137 H2* C 13 H2' C 13 36.781 -11.440 5.819 138 2HO* C 13 2HO' C 13 37.957 -13.375 7.141 139 H1* C 13 H1' C 13 34.972 -13.793 6.151 140 1H4 C 13 H41 C 13 30.686 -10.083 3.113 141 2H4 C 13 H42 C 13 31.980 -9.738 1.989 142 H5 C 13 H5 C 13 30.942 -11.545 4.981 143 H6 C 13 H6 C 13 32.423 -12.468 6.512 144 1H5* U 14 H5' U 14 39.747 -12.315 6.292 145 2H5* U 14 H5'' U 14 40.971 -11.052 6.198 146 H4* U 14 H4' U 14 40.416 -12.072 4.044 147 H3* U 14 H3' U 14 39.766 -9.099 4.139 148 H2* U 14 H2' U 14 39.554 -9.343 1.800 149 2HO* U 14 2HO' U 14 39.955 -11.293 0.706 150 H1* U 14 H1' U 14 37.966 -11.542 2.050 151 H3 U 14 H3 U 14 35.155 -8.272 0.654 152 H5 U 14 H5 U 14 35.179 -8.024 4.850 153 H6 U 14 H6 U 14 37.128 -9.410 4.854 154 1H5* C 15 H5' C 15 42.221 -9.778 0.922 155 2H5* C 15 H5'' C 15 43.322 -8.446 0.621 156 H4* C 15 H4' C 15 41.953 -8.929 -1.296 157 H3* C 15 H3' C 15 41.379 -6.186 -0.127 158 H2* C 15 H2' C 15 40.217 -5.820 -2.146 159 2HO* C 15 2HO' C 15 40.958 -6.953 -3.874 160 H1* C 15 H1' C 15 38.863 -8.233 -1.962 161 1H4 C 15 H41 C 15 35.574 -4.370 2.239 162 2H4 C 15 H42 C 15 35.104 -3.705 0.686 163 H5 C 15 H5 C 15 37.291 -5.987 2.551 164 H6 C 15 H6 C 15 38.842 -7.452 1.456 165 1H5* A 16 H5' A 16 42.532 -5.571 -3.873 166 2H5* A 16 H5'' A 16 43.663 -4.234 -4.123 167 H4* A 16 H4' A 16 41.516 -3.958 -5.372 168 H3* A 16 H3' A 16 42.087 -1.921 -3.191 169 H2* A 16 H2' A 16 40.318 -0.838 -3.825 170 2HO* A 16 2HO' A 16 39.861 -0.554 -5.926 171 H1* A 16 H1' A 16 38.873 -3.283 -4.372 172 H8 A 16 H8 A 16 40.210 -2.907 -1.575 173 1H6 A 16 H61 A 16 37.021 -0.098 1.171 174 2H6 A 16 H62 A 16 35.692 0.906 0.613 175 H2 A 16 H2 A 16 35.674 0.702 -3.841 176 1H5* G 17 H5' G 17 43.175 2.122 -5.553 177 2H5* G 17 H5'' G 17 42.148 2.657 -4.266 178 H4* G 17 H4' G 17 41.407 0.988 -6.608 179 H3* G 17 H3' G 17 41.378 3.498 -6.619 180 H2* G 17 H2' G 17 40.227 3.970 -4.580 181 2HO* G 17 2HO' G 17 37.802 4.161 -5.201 182 H1* G 17 H1' G 17 38.050 1.972 -5.168 183 H8 G 17 H8 G 17 40.813 1.648 -2.833 184 H1 G 17 H1 G 17 35.802 4.618 -0.240 185 1H2 G 17 H21 G 17 34.854 4.984 -3.498 186 2H2 G 17 H22 G 17 34.569 5.374 -1.800 187 1H5* A 18 H5' A 18 41.872 5.450 -7.930 188 2H5* A 18 H5'' A 18 40.528 5.708 -6.828 189 H4* A 18 H4' A 18 41.091 7.332 -9.270 190 H3* A 18 H3' A 18 42.751 7.717 -7.276 191 H2* A 18 H2' A 18 41.107 7.502 -5.665 192 2HO* A 18 2HO' A 18 41.881 10.198 -6.045 193 H1* A 18 H1' A 18 39.569 9.726 -7.011 194 H8 A 18 H8 A 18 39.425 6.566 -4.905 195 1H6 A 18 H61 A 18 34.865 7.251 -3.101 196 2H6 A 18 H62 A 18 33.675 8.511 -3.382 197 H2 A 18 H2 A 18 35.451 11.448 -6.203 198 1H5* A 19 H5' A 19 40.811 11.737 -8.232 199 2H5* A 19 H5'' A 19 41.989 13.041 -8.305 200 H4* A 19 H4' A 19 40.365 13.965 -7.166 201 H3* A 19 H3' A 19 42.556 13.971 -5.626 202 H2* A 19 H2' A 19 41.668 11.880 -4.466 203 2HO* A 19 2HO' A 19 41.359 14.336 -3.110 204 H1* A 19 H1' A 19 39.204 13.618 -4.537 205 H8 A 19 H8 A 19 40.431 10.228 -3.136 206 1H6 A 19 H61 A 19 34.920 10.303 -0.271 207 2H6 A 19 H62 A 19 36.477 9.481 -0.372 208 H2 A 19 H2 A 19 34.976 13.575 -3.236 209 1H5* G 20 H5' G 20 40.652 18.086 -2.056 210 2H5* G 20 H5'' G 20 41.331 16.469 -1.986 211 H4* G 20 H4' G 20 38.441 16.935 -2.710 212 H3* G 20 H3' G 20 39.601 16.619 0.087 213 H2* G 20 H2' G 20 37.506 15.698 0.664 214 2HO* G 20 2HO' G 20 35.705 15.932 -0.567 215 H1* G 20 H1' G 20 37.489 14.111 -1.661 216 H8 G 20 H8 G 20 40.944 13.965 -0.374 217 H1 G 20 H1 G 20 36.877 10.489 3.126 218 1H2 G 20 H21 G 20 34.491 12.585 1.873 219 2H2 G 20 H22 G 20 34.894 11.285 2.986 220 1H5* C 21 H5' C 21 36.132 18.360 1.039 221 2H5* C 21 H5'' C 21 36.335 19.682 2.199 222 H4* C 21 H4' C 21 34.892 18.069 3.168 223 H3* C 21 H3' C 21 37.636 17.865 4.480 224 H2* C 21 H2' C 21 36.623 16.424 6.020 225 2HO* C 21 2HO' C 21 34.441 17.701 5.796 226 H1* C 21 H1' C 21 35.261 15.023 4.002 227 1H4 C 21 H41 C 21 41.284 12.416 3.931 228 2H4 C 21 H42 C 21 40.360 11.504 5.122 229 H5 C 21 H5 C 21 40.454 14.481 2.964 230 H6 C 21 H6 C 21 38.559 15.952 2.818 231 1H5* C 22 H5' C 22 35.694 18.387 7.794 232 2H5* C 22 H5'' C 22 36.406 19.698 8.745 233 H4* C 22 H4' C 22 36.502 17.780 10.088 234 H3* C 22 H3' C 22 39.281 18.097 8.889 235 H2* C 22 H2' C 22 39.921 16.487 10.351 236 2HO* C 22 2HO' C 22 38.852 17.218 12.310 237 H1* C 22 H1' C 22 37.379 15.077 10.109 238 1H4 C 22 H41 C 22 42.408 12.848 6.325 239 2H4 C 22 H42 C 22 42.097 11.597 7.506 240 H5 C 22 H5 C 22 41.245 14.960 6.308 241 H6 C 22 H6 C 22 39.447 16.242 7.376 242 H3T C 22 H3T C 22 38.501 19.926 9.980 Start of MODEL 3 1 1H5* G 1 H5' G 1 46.885 5.613 10.949 2 2H5* G 1 H5'' G 1 45.583 4.427 10.970 3 H4* G 1 H4' G 1 44.868 6.507 11.929 4 H3* G 1 H3' G 1 43.452 6.062 9.268 5 H2* G 1 H2' G 1 42.115 7.794 9.979 6 2HO* G 1 2HO' G 1 41.654 7.764 12.110 7 H1* G 1 H1' G 1 44.255 9.235 11.106 8 H8 G 1 H8 G 1 43.956 7.720 7.589 9 H1 G 1 H1 G 1 42.733 14.003 7.972 10 1H2 G 1 H21 G 1 42.896 13.465 11.370 11 2H2 G 1 H22 G 1 42.594 14.595 10.069 12 H5T G 1 H5T G 1 46.296 6.015 8.723 13 1H5* G 2 H5' G 2 40.548 6.290 12.612 14 2H5* G 2 H5'' G 2 38.988 5.623 12.134 15 H4* G 2 H4' G 2 38.984 8.030 12.829 16 H3* G 2 H3' G 2 37.952 7.477 10.014 17 H2* G 2 H2' G 2 37.267 9.720 10.053 18 2HO* G 2 2HO' G 2 37.109 10.956 11.885 19 H1* G 2 H1' G 2 39.634 10.551 11.448 20 H8 G 2 H8 G 2 40.918 8.663 8.581 21 H1 G 2 H1 G 2 38.705 14.426 6.944 22 1H2 G 2 H21 G 2 37.122 14.335 9.993 23 2H2 G 2 H22 G 2 37.461 15.240 8.526 24 1H5* C 3 H5' C 3 34.912 9.259 12.126 25 2H5* C 3 H5'' C 3 33.333 8.572 11.774 26 H4* C 3 H4' C 3 33.317 10.913 11.367 27 H3* C 3 H3' C 3 33.227 9.448 8.745 28 H2* C 3 H2' C 3 32.618 11.496 7.760 29 2HO* C 3 2HO' C 3 31.537 12.398 9.860 30 H1* C 3 H1' C 3 34.727 12.761 9.188 31 1H4 C 3 H41 C 3 38.544 10.042 4.714 32 2H4 C 3 H42 C 3 38.097 11.614 4.050 33 H5 C 3 H5 C 3 37.439 9.081 6.615 34 H6 C 3 H6 C 3 35.787 9.426 8.309 35 1H5* C 4 H5' C 4 28.504 9.182 7.721 36 2H5* C 4 H5'' C 4 30.208 8.717 7.609 37 H4* C 4 H4' C 4 28.845 10.877 5.984 38 H3* C 4 H3' C 4 29.714 8.059 5.235 39 H2* C 4 H2' C 4 30.065 8.901 3.049 40 2HO* C 4 2HO' C 4 28.697 10.605 2.619 41 H1* C 4 H1' C 4 31.664 10.949 3.980 42 1H4 C 4 H41 C 4 35.611 5.847 5.245 43 2H4 C 4 H42 C 4 35.645 5.944 3.489 44 H5 C 4 H5 C 4 34.114 7.129 6.600 45 H6 C 4 H6 C 4 32.371 8.748 6.599 46 1H5* U 5 H5' U 5 26.818 8.868 2.547 47 2H5* U 5 H5'' U 5 25.678 7.578 2.148 48 H4* U 5 H4' U 5 26.943 8.202 0.246 49 H3* U 5 H3' U 5 27.816 5.359 1.096 50 H2* U 5 H2' U 5 28.984 5.374 -0.912 51 2HO* U 5 2HO' U 5 27.287 7.213 -1.718 52 H1* U 5 H1' U 5 30.297 7.715 -0.287 53 H3 U 5 H3 U 5 32.827 3.960 0.866 54 H5 U 5 H5 U 5 31.075 5.388 4.375 55 H6 U 5 H6 U 5 29.658 6.710 3.042 56 1H5* G 6 H5' G 6 26.929 4.967 -2.567 57 2H5* G 6 H5'' G 6 25.824 3.646 -2.938 58 H4* G 6 H4' G 6 27.876 3.419 -4.143 59 H3* G 6 H3' G 6 27.531 1.246 -2.041 60 H2* G 6 H2' G 6 29.372 0.231 -3.099 61 2HO* G 6 2HO' G 6 28.625 1.470 -5.272 62 H1* G 6 H1' G 6 30.833 2.495 -3.173 63 H8 G 6 H8 G 6 29.266 2.876 0.172 64 H1 G 6 H1 G 6 34.013 -1.469 -0.155 65 1H2 G 6 H21 G 6 33.456 -1.236 -3.557 66 2H2 G 6 H22 G 6 34.316 -2.059 -2.267 67 1H5* A 7 H5' A 7 28.032 -0.568 -5.646 68 2H5* A 7 H5'' A 7 26.989 -1.961 -5.894 69 H4* A 7 H4' A 7 29.290 -2.555 -6.204 70 H3* A 7 H3' A 7 28.089 -3.872 -3.742 71 H2* A 7 H2' A 7 30.055 -5.108 -3.646 72 2HO* A 7 2HO' A 7 30.194 -5.069 -6.198 73 H1* A 7 H1' A 7 31.724 -2.909 -4.195 74 H8 A 7 H8 A 7 29.605 -1.334 -1.828 75 1H6 A 7 H61 A 7 31.628 -2.777 2.248 76 2H6 A 7 H62 A 7 32.692 -4.085 2.714 77 H2 A 7 H2 A 7 33.489 -6.398 -1.066 78 1H5* G 8 H5' G 8 29.214 -6.981 -6.030 79 2H5* G 8 H5'' G 8 28.062 -8.314 -6.036 80 H4* G 8 H4' G 8 30.231 -9.003 -5.195 81 H3* G 8 H3' G 8 28.101 -9.051 -3.015 82 H2* G 8 H2' G 8 29.718 -10.165 -1.737 83 2HO* G 8 2HO' G 8 31.486 -11.140 -2.581 84 H1* G 8 H1' G 8 31.740 -8.391 -2.484 85 H8 G 8 H8 G 8 28.651 -6.380 -1.871 86 H1 G 8 H1 G 8 32.037 -7.880 3.379 87 1H2 G 8 H21 G 8 33.432 -10.291 1.437 88 2H2 G 8 H22 G 8 33.381 -9.511 3.001 89 1H5* G 9 H5' G 9 28.796 -12.946 -2.687 90 2H5* G 9 H5'' G 9 27.273 -13.818 -2.452 91 H4* G 9 H4' G 9 28.569 -13.928 -0.434 92 H3* G 9 H3' G 9 26.254 -11.997 -0.027 93 H2* G 9 H2' G 9 26.992 -11.926 2.296 94 2HO* G 9 2HO' G 9 27.965 -13.855 2.914 95 H1* G 9 H1' G 9 29.527 -11.365 1.591 96 H8 G 9 H8 G 9 26.838 -10.224 -0.751 97 H1 G 9 H1 G 9 27.220 -6.549 4.428 98 1H2 G 9 H21 G 9 28.963 -9.230 5.706 99 2H2 G 9 H22 G 9 28.169 -7.705 6.017 100 1H5* A 10 H5' A 10 23.900 -11.328 2.240 101 2H5* A 10 H5'' A 10 25.040 -12.623 2.412 102 H4* A 10 H4' A 10 22.132 -12.774 3.103 103 H3* A 10 H3' A 10 24.717 -12.694 4.663 104 H2* A 10 H2' A 10 23.873 -14.224 6.250 105 2HO* A 10 2HO' A 10 21.683 -13.903 6.483 106 H1* A 10 H1' A 10 23.054 -16.027 4.408 107 H8 A 10 H8 A 10 25.886 -14.697 2.421 108 1H6 A 10 H61 A 10 29.371 -18.690 5.674 109 2H6 A 10 H62 A 10 29.302 -17.701 4.218 110 H2 A 10 H2 A 10 25.594 -18.091 7.891 111 1H5* G 11 H5' G 11 23.018 -12.360 8.173 112 2H5* G 11 H5'' G 11 23.676 -11.012 9.113 113 H4* G 11 H4' G 11 24.261 -13.174 10.104 114 H3* G 11 H3' G 11 26.697 -11.683 9.043 115 H2* G 11 H2' G 11 28.001 -13.471 9.883 116 2HO* G 11 2HO' G 11 26.813 -14.015 11.817 117 H1* G 11 H1' G 11 26.388 -15.429 8.758 118 H8 G 11 H8 G 11 26.182 -12.763 6.241 119 H1 G 11 H1 G 11 31.631 -16.115 5.981 120 1H2 G 11 H21 G 11 31.849 -17.329 7.808 121 2H2 G 11 H22 G 11 30.674 -17.227 9.106 122 1H5* A 12 H5' A 12 29.769 -10.634 13.164 123 2H5* A 12 H5'' A 12 29.929 -10.148 11.486 124 H4* A 12 H4' A 12 30.997 -12.569 12.850 125 H3* A 12 H3' A 12 31.912 -10.987 10.493 126 H2* A 12 H2' A 12 33.555 -12.264 9.921 127 2HO* A 12 2HO' A 12 33.908 -13.444 12.025 128 H1* A 12 H1' A 12 31.618 -14.003 9.718 129 H8 A 12 H8 A 12 29.603 -11.007 9.419 130 1H6 A 12 H61 A 12 29.422 -10.657 4.516 131 2H6 A 12 H62 A 12 30.718 -10.769 3.370 132 H2 A 12 H2 A 12 34.110 -12.548 5.516 133 1H5* C 13 H5' C 13 36.901 -9.630 11.484 134 2H5* C 13 H5'' C 13 35.298 -8.952 11.073 135 H4* C 13 H4' C 13 36.625 -11.171 9.510 136 H3* C 13 H3' C 13 36.463 -8.212 8.689 137 H2* C 13 H2' C 13 36.499 -9.100 6.518 138 2HO* C 13 2HO' C 13 37.899 -11.099 7.650 139 H1* C 13 H1' C 13 34.757 -11.354 7.435 140 1H4 C 13 H41 C 13 30.363 -6.766 6.041 141 2H4 C 13 H42 C 13 31.254 -6.581 4.555 142 H5 C 13 H5 C 13 30.841 -8.592 7.652 143 H6 C 13 H6 C 13 32.564 -9.797 8.592 144 1H5* U 14 H5' U 14 39.646 -9.793 6.277 145 2H5* U 14 H5'' U 14 40.748 -8.507 5.792 146 H4* U 14 H4' U 14 39.713 -9.665 3.964 147 H3* U 14 H3' U 14 38.890 -6.728 3.951 148 H2* U 14 H2' U 14 38.099 -7.312 1.726 149 2HO* U 14 2HO' U 14 39.839 -9.262 1.727 150 H1* U 14 H1' U 14 36.651 -9.286 2.664 151 H3 U 14 H3 U 14 33.798 -5.747 2.154 152 H5 U 14 H5 U 14 35.150 -5.530 6.119 153 H6 U 14 H6 U 14 36.850 -7.097 5.552 154 1H5* C 15 H5' C 15 40.472 -7.614 0.332 155 2H5* C 15 H5'' C 15 41.500 -6.354 -0.351 156 H4* C 15 H4' C 15 39.717 -6.937 -1.852 157 H3* C 15 H3' C 15 39.538 -4.111 -0.757 158 H2* C 15 H2' C 15 37.799 -3.775 -2.316 159 2HO* C 15 2HO' C 15 38.326 -6.490 -3.128 160 H1* C 15 H1' C 15 36.421 -5.939 -1.501 161 1H4 C 15 H41 C 15 35.526 -1.899 3.655 162 2H4 C 15 H42 C 15 34.603 -1.212 2.329 163 H5 C 15 H5 C 15 37.056 -3.798 3.299 164 H6 C 15 H6 C 15 37.853 -5.354 1.685 165 1H5* A 16 H5' A 16 39.333 -3.367 -4.379 166 2H5* A 16 H5'' A 16 40.453 -2.158 -5.022 167 H4* A 16 H4' A 16 38.086 -1.486 -5.278 168 H3* A 16 H3' A 16 39.643 0.233 -3.309 169 H2* A 16 H2' A 16 37.832 1.537 -3.220 170 2HO* A 16 2HO' A 16 36.881 2.057 -5.105 171 H1* A 16 H1' A 16 36.110 -0.825 -3.540 172 H8 A 16 H8 A 16 38.110 -0.705 -1.157 173 1H6 A 16 H61 A 16 35.761 1.748 2.548 174 2H6 A 16 H62 A 16 34.414 2.869 2.446 175 H2 A 16 H2 A 16 33.428 3.320 -1.904 176 1H5* G 17 H5' G 17 38.294 2.646 -6.630 177 2H5* G 17 H5'' G 17 39.354 4.038 -6.839 178 H4* G 17 H4' G 17 37.067 4.760 -6.467 179 H3* G 17 H3' G 17 38.859 5.392 -4.107 180 H2* G 17 H2' G 17 37.220 6.660 -3.332 181 2HO* G 17 2HO' G 17 36.443 7.225 -5.738 182 H1* G 17 H1' G 17 35.181 4.725 -3.910 183 H8 G 17 H8 G 17 38.531 4.024 -2.532 184 H1 G 17 H1 G 17 34.842 6.841 1.740 185 1H2 G 17 H21 G 17 32.923 7.572 -0.970 186 2H2 G 17 H22 G 17 33.216 7.798 0.743 187 1H5* A 18 H5' A 18 40.474 10.476 -5.868 188 2H5* A 18 H5'' A 18 39.349 9.696 -4.769 189 H4* A 18 H4' A 18 38.974 9.901 -7.737 190 H3* A 18 H3' A 18 38.971 12.138 -6.354 191 H2* A 18 H2' A 18 37.534 11.455 -4.716 192 2HO* A 18 2HO' A 18 36.053 12.849 -6.716 193 H1* A 18 H1' A 18 35.641 10.400 -6.819 194 H8 A 18 H8 A 18 37.336 9.291 -3.654 195 1H6 A 18 H61 A 18 31.663 10.234 -1.065 196 2H6 A 18 H62 A 18 33.301 9.720 -0.653 197 H2 A 18 H2 A 18 31.359 10.851 -5.372 198 1H5* A 19 H5' A 19 39.180 15.741 -7.061 199 2H5* A 19 H5'' A 19 38.498 14.539 -5.953 200 H4* A 19 H4' A 19 36.836 16.737 -7.134 201 H3* A 19 H3' A 19 38.706 17.896 -5.756 202 H2* A 19 H2' A 19 38.632 15.913 -4.139 203 2HO* A 19 2HO' A 19 37.328 18.171 -2.937 204 H1* A 19 H1' A 19 35.757 16.698 -3.733 205 H8 A 19 H8 A 19 38.344 13.774 -3.561 206 1H6 A 19 H61 A 19 35.937 10.992 -0.343 207 2H6 A 19 H62 A 19 34.388 11.207 0.454 208 H2 A 19 H2 A 19 32.530 14.916 -1.078 209 1H5* G 20 H5' G 20 36.549 21.355 -2.083 210 2H5* G 20 H5'' G 20 37.652 19.975 -2.152 211 H4* G 20 H4' G 20 34.703 19.781 -1.515 212 H3* G 20 H3' G 20 37.038 19.636 0.457 213 H2* G 20 H2' G 20 35.488 18.490 1.823 214 2HO* G 20 2HO' G 20 33.558 19.830 1.127 215 H1* G 20 H1' G 20 34.585 17.041 -0.551 216 H8 G 20 H8 G 20 38.242 17.021 -0.437 217 H1 G 20 H1 G 20 35.796 13.171 4.032 218 1H2 G 20 H21 G 20 33.166 15.382 3.948 219 2H2 G 20 H22 G 20 33.964 14.073 4.797 220 1H5* C 21 H5' C 21 34.228 21.314 3.165 221 2H5* C 21 H5'' C 21 35.023 22.677 3.978 222 H4* C 21 H4' C 21 34.335 21.139 5.653 223 H3* C 21 H3' C 21 37.342 20.828 5.223 224 H2* C 21 H2' C 21 37.325 19.539 7.167 225 2HO* C 21 2HO' C 21 35.793 20.309 8.607 226 H1* C 21 H1' C 21 35.027 18.138 6.275 227 1H4 C 21 H41 C 21 40.015 15.233 3.143 228 2H4 C 21 H42 C 21 39.809 14.339 4.638 229 H5 C 21 H5 C 21 38.925 17.323 2.709 230 H6 C 21 H6 C 21 37.279 18.893 3.511 231 1H5* C 22 H5' C 22 37.833 21.824 9.044 232 2H5* C 22 H5'' C 22 39.050 23.113 9.110 233 H4* C 22 H4' C 22 39.894 21.311 10.359 234 H3* C 22 H3' C 22 41.267 21.212 7.643 235 H2* C 22 H2' C 22 42.652 19.658 8.603 236 2HO* C 22 2HO' C 22 43.184 19.676 10.706 237 H1* C 22 H1' C 22 40.462 18.585 10.234 238 1H4 C 22 H41 C 22 42.221 15.454 4.610 239 2H4 C 22 H42 C 22 42.632 14.345 5.896 240 H5 C 22 H5 C 22 41.259 17.602 4.954 241 H6 C 22 H6 C 22 40.429 19.161 6.630 242 H3T C 22 H3T C 22 42.163 22.409 10.030 Start of MODEL 4 1 1H5* G 1 H5' G 1 33.412 0.170 8.156 2 2H5* G 1 H5'' G 1 32.223 -0.289 6.940 3 H4* G 1 H4' G 1 31.307 1.488 8.174 4 H3* G 1 H3' G 1 32.241 2.577 5.488 5 H2* G 1 H2' G 1 31.128 4.439 6.051 6 2HO* G 1 2HO' G 1 29.196 4.070 7.033 7 H1* G 1 H1' G 1 31.855 4.417 8.716 8 H8 G 1 H8 G 1 34.098 3.968 5.688 9 H1 G 1 H1 G 1 33.472 10.006 7.712 10 1H2 G 1 H21 G 1 30.855 8.703 9.517 11 2H2 G 1 H22 G 1 31.737 10.132 9.017 12 H5T G 1 H5T G 1 33.493 0.969 5.422 13 1H5* G 2 H5' G 2 28.017 3.404 5.873 14 2H5* G 2 H5'' G 2 27.328 3.680 4.282 15 H4* G 2 H4' G 2 27.095 5.570 5.809 16 H3* G 2 H3' G 2 28.695 6.214 3.301 17 H2* G 2 H2' G 2 28.397 8.472 3.983 18 2HO* G 2 2HO' G 2 26.167 7.993 4.944 19 H1* G 2 H1' G 2 29.084 7.876 6.654 20 H8 G 2 H8 G 2 31.532 5.911 4.770 21 H1 G 2 H1 G 2 32.664 12.175 4.269 22 1H2 G 2 H21 G 2 29.586 12.514 5.740 23 2H2 G 2 H22 G 2 31.010 13.322 5.094 24 1H5* C 3 H5' C 3 25.364 8.647 2.797 25 2H5* C 3 H5'' C 3 24.632 8.293 1.225 26 H4* C 3 H4' C 3 24.996 10.618 1.307 27 H3* C 3 H3' C 3 27.087 9.304 -0.450 28 H2* C 3 H2' C 3 27.768 11.463 -1.035 29 2HO* C 3 2HO' C 3 25.711 12.558 -1.094 30 H1* C 3 H1' C 3 27.700 12.374 1.647 31 1H4 C 3 H41 C 3 33.339 9.042 0.889 32 2H4 C 3 H42 C 3 33.744 10.650 0.323 33 H5 C 3 H5 C 3 31.186 8.366 1.588 34 H6 C 3 H6 C 3 28.905 9.018 1.798 35 1H5* C 4 H5' C 4 26.383 11.444 -3.253 36 2H5* C 4 H5'' C 4 25.999 10.616 -4.774 37 H4* C 4 H4' C 4 28.140 11.735 -4.950 38 H3* C 4 H3' C 4 28.407 8.690 -4.867 39 H2* C 4 H2' C 4 30.688 9.039 -5.344 40 2HO* C 4 2HO' C 4 30.130 11.140 -6.629 41 H1* C 4 H1' C 4 30.946 11.006 -3.353 42 1H4 C 4 H41 C 4 30.826 5.276 0.017 43 2H4 C 4 H42 C 4 32.487 5.545 -0.454 44 H5 C 4 H5 C 4 29.028 6.804 -0.684 45 H6 C 4 H6 C 4 28.520 8.728 -2.020 46 1H5* U 5 H5' U 5 29.999 9.206 -8.594 47 2H5* U 5 H5'' U 5 29.351 8.001 -9.714 48 H4* U 5 H4' U 5 31.706 7.783 -9.459 49 H3* U 5 H3' U 5 30.358 5.309 -8.227 50 H2* U 5 H2' U 5 32.481 4.463 -8.177 51 2HO* U 5 2HO' U 5 34.302 5.491 -9.024 52 H1* U 5 H1' U 5 33.488 6.732 -6.895 53 H3 U 5 H3 U 5 32.821 3.148 -4.030 54 H5 U 5 H5 U 5 29.508 5.655 -3.615 55 H6 U 5 H6 U 5 30.185 6.755 -5.609 56 1H5* G 6 H5' G 6 32.790 4.119 -11.160 57 2H5* G 6 H5'' G 6 32.162 2.807 -12.157 58 H4* G 6 H4' G 6 34.242 2.197 -11.172 59 H3* G 6 H3' G 6 31.933 0.610 -9.979 60 H2* G 6 H2' G 6 33.629 -0.740 -9.036 61 2HO* G 6 2HO' G 6 35.171 -0.105 -10.966 62 H1* G 6 H1' G 6 34.949 1.384 -8.030 63 H8 G 6 H8 G 6 31.360 2.519 -7.666 64 H1 G 6 H1 G 6 33.465 -1.738 -3.329 65 1H2 G 6 H21 G 6 35.904 -2.351 -5.696 66 2H2 G 6 H22 G 6 35.209 -2.805 -4.146 67 1H5* A 7 H5' A 7 34.592 -2.111 -11.529 68 2H5* A 7 H5'' A 7 33.785 -3.369 -12.458 69 H4* A 7 H4' A 7 35.206 -4.410 -10.911 70 H3* A 7 H3' A 7 32.348 -4.711 -9.978 71 H2* A 7 H2' A 7 33.236 -6.289 -8.442 72 2HO* A 7 2HO' A 7 35.109 -7.301 -8.838 73 H1* A 7 H1' A 7 35.321 -4.550 -7.697 74 H8 A 7 H8 A 7 32.621 -2.157 -7.974 75 1H6 A 7 H61 A 7 30.448 -2.719 -3.820 76 2H6 A 7 H62 A 7 30.409 -3.929 -2.556 77 H2 A 7 H2 A 7 33.218 -7.187 -3.987 78 1H5* G 8 H5' G 8 33.568 -8.602 -10.477 79 2H5* G 8 H5'' G 8 32.328 -9.604 -11.228 80 H4* G 8 H4' G 8 32.976 -10.531 -9.113 81 H3* G 8 H3' G 8 30.145 -9.407 -8.991 82 H2* G 8 H2' G 8 30.043 -10.403 -6.840 83 2HO* G 8 2HO' G 8 31.865 -12.088 -7.769 84 H1* G 8 H1' G 8 32.513 -9.280 -6.053 85 H8 G 8 H8 G 8 30.954 -6.716 -8.250 86 H1 G 8 H1 G 8 28.403 -7.160 -2.391 87 1H2 G 8 H21 G 8 29.932 -10.203 -2.352 88 2H2 G 8 H22 G 8 28.964 -9.038 -1.464 89 1H5* G 9 H5' G 9 26.914 -9.969 -11.211 90 2H5* G 9 H5'' G 9 27.789 -9.049 -9.980 91 H4* G 9 H4' G 9 25.533 -10.971 -9.482 92 H3* G 9 H3' G 9 25.428 -7.958 -9.448 93 H2* G 9 H2' G 9 23.758 -8.148 -7.756 94 2HO* G 9 2HO' G 9 23.347 -10.390 -6.891 95 H1* G 9 H1' G 9 25.380 -9.767 -6.183 96 H8 G 9 H8 G 9 27.665 -7.779 -8.194 97 H1 G 9 H1 G 9 24.165 -4.089 -4.269 98 1H2 G 9 H21 G 9 22.742 -7.132 -3.354 99 2H2 G 9 H22 G 9 22.776 -5.390 -3.123 100 1H5* A 10 H5' A 10 21.923 -10.966 -11.522 101 2H5* A 10 H5'' A 10 20.290 -10.381 -11.201 102 H4* A 10 H4' A 10 20.241 -12.491 -10.403 103 H3* A 10 H3' A 10 21.147 -11.091 -7.888 104 H2* A 10 H2' A 10 20.579 -13.084 -6.842 105 2HO* A 10 2HO' A 10 18.662 -13.630 -8.314 106 H1* A 10 H1' A 10 21.717 -14.477 -9.049 107 H8 A 10 H8 A 10 24.629 -12.403 -8.347 108 1H6 A 10 H61 A 10 26.682 -15.301 -5.022 109 2H6 A 10 H62 A 10 26.028 -16.536 -3.950 110 H2 A 10 H2 A 10 21.634 -16.673 -4.613 111 1H5* G 11 H5' G 11 17.285 -10.692 -4.980 112 2H5* G 11 H5'' G 11 18.978 -10.453 -5.450 113 H4* G 11 H4' G 11 17.851 -12.794 -3.874 114 H3* G 11 H3' G 11 19.764 -10.574 -3.007 115 H2* G 11 H2' G 11 20.836 -12.162 -1.651 116 2HO* G 11 2HO' G 11 19.031 -13.378 -0.876 117 H1* G 11 H1' G 11 20.886 -14.151 -3.613 118 H8 G 11 H8 G 11 21.443 -11.021 -5.466 119 H1 G 11 H1 G 11 26.705 -13.398 -2.722 120 1H2 G 11 H21 G 11 26.143 -14.817 -1.117 121 2H2 G 11 H22 G 11 24.457 -15.134 -0.753 122 1H5* A 12 H5' A 12 18.460 -12.044 0.842 123 2H5* A 12 H5'' A 12 18.404 -10.714 2.010 124 H4* A 12 H4' A 12 20.109 -12.443 2.550 125 H3* A 12 H3' A 12 21.519 -9.892 1.772 126 H2* A 12 H2' A 12 23.385 -10.566 2.620 127 2HO* A 12 2HO' A 12 22.558 -12.157 4.243 128 H1* A 12 H1' A 12 23.006 -12.553 1.043 129 H8 A 12 H8 A 12 21.347 -9.559 -0.616 130 1H6 A 12 H61 A 12 26.677 -8.903 -3.679 131 2H6 A 12 H62 A 12 24.971 -8.495 -3.750 132 H2 A 12 H2 A 12 27.381 -11.224 -0.078 133 1H5* C 13 H5' C 13 24.160 -8.224 6.240 134 2H5* C 13 H5'' C 13 23.842 -7.299 4.764 135 H4* C 13 H4' C 13 25.383 -9.912 4.846 136 H3* C 13 H3' C 13 26.464 -7.087 4.332 137 H2* C 13 H2' C 13 28.148 -8.167 3.162 138 2HO* C 13 2HO' C 13 28.576 -10.001 4.495 139 H1* C 13 H1' C 13 26.123 -10.100 2.112 140 1H4 C 13 H41 C 13 25.704 -5.360 -2.291 141 2H4 C 13 H42 C 13 27.435 -5.544 -2.429 142 H5 C 13 H5 C 13 24.351 -6.654 -0.874 143 H6 C 13 H6 C 13 24.237 -7.956 1.068 144 1H5* U 14 H5' U 14 30.015 -9.291 5.570 145 2H5* U 14 H5'' U 14 31.211 -8.175 6.222 146 H4* U 14 H4' U 14 31.890 -9.526 4.257 147 H3* U 14 H3' U 14 32.190 -6.523 3.799 148 H2* U 14 H2' U 14 33.357 -7.250 1.870 149 2HO* U 14 2HO' U 14 33.947 -9.444 3.147 150 H1* U 14 H1' U 14 31.436 -9.002 1.136 151 H3 U 14 H3 U 14 31.030 -5.579 -1.849 152 H5 U 14 H5 U 14 28.773 -4.408 1.518 153 H6 U 14 H6 U 14 29.775 -6.195 2.739 154 1H5* C 15 H5' C 15 35.769 -8.254 2.749 155 2H5* C 15 H5'' C 15 37.154 -7.231 3.073 156 H4* C 15 H4' C 15 36.976 -7.826 0.744 157 H3* C 15 H3' C 15 36.656 -4.845 1.212 158 H2* C 15 H2' C 15 36.897 -4.671 -1.129 159 2HO* C 15 2HO' C 15 38.355 -6.509 -1.505 160 H1* C 15 H1' C 15 35.000 -6.637 -1.624 161 1H4 C 15 H41 C 15 31.532 -1.204 0.043 162 2H4 C 15 H42 C 15 32.044 -0.947 -1.621 163 H5 C 15 H5 C 15 32.114 -3.251 1.264 164 H6 C 15 H6 C 15 33.435 -5.278 1.207 165 1H5* A 16 H5' A 16 39.634 -4.950 -1.247 166 2H5* A 16 H5'' A 16 41.024 -3.931 -0.846 167 H4* A 16 H4' A 16 39.889 -3.346 -3.011 168 H3* A 16 H3' A 16 39.868 -1.208 -0.851 169 H2* A 16 H2' A 16 38.835 0.120 -2.268 170 2HO* A 16 2HO' A 16 39.425 0.346 -4.327 171 H1* A 16 H1' A 16 37.532 -2.159 -3.591 172 H8 A 16 H8 A 16 36.906 -1.571 -0.599 173 1H6 A 16 H61 A 16 33.149 1.780 -0.653 174 2H6 A 16 H62 A 16 32.649 2.859 -1.945 175 H2 A 16 H2 A 16 35.630 2.351 -5.265 176 1H5* G 17 H5' G 17 41.690 0.533 -4.257 177 2H5* G 17 H5'' G 17 42.848 1.757 -3.778 178 H4* G 17 H4' G 17 40.941 2.582 -5.198 179 H3* G 17 H3' G 17 41.599 3.835 -2.542 180 H2* G 17 H2' G 17 39.755 5.065 -2.604 181 2HO* G 17 2HO' G 17 40.578 5.705 -5.054 182 H1* G 17 H1' G 17 38.361 3.492 -4.727 183 H8 G 17 H8 G 17 38.765 2.617 -1.133 184 H1 G 17 H1 G 17 33.662 6.312 -2.214 185 1H2 G 17 H21 G 17 35.116 6.895 -5.241 186 2H2 G 17 H22 G 17 33.867 7.332 -4.080 187 1H5* A 18 H5' A 18 44.148 7.691 -2.743 188 2H5* A 18 H5'' A 18 42.452 7.233 -2.910 189 H4* A 18 H4' A 18 43.874 8.772 -5.051 190 H3* A 18 H3' A 18 43.904 10.121 -2.830 191 H2* A 18 H2' A 18 41.812 9.370 -2.170 192 2HO* A 18 2HO' A 18 42.004 12.021 -2.642 193 H1* A 18 H1' A 18 40.712 10.452 -4.770 194 H8 A 18 H8 A 18 40.456 7.762 -2.114 195 1H6 A 18 H61 A 18 34.414 9.175 -2.153 196 2H6 A 18 H62 A 18 35.684 8.305 -1.305 197 H2 A 18 H2 A 18 36.333 11.176 -5.641 198 1H5* A 19 H5' A 19 41.487 13.615 -5.406 199 2H5* A 19 H5'' A 19 42.784 14.811 -5.345 200 H4* A 19 H4' A 19 41.253 16.198 -4.853 201 H3* A 19 H3' A 19 42.413 15.933 -2.496 202 H2* A 19 H2' A 19 40.831 13.916 -2.137 203 2HO* A 19 2HO' A 19 40.497 16.268 -0.594 204 H1* A 19 H1' A 19 38.838 16.078 -2.784 205 H8 A 19 H8 A 19 39.089 12.284 -1.921 206 1H6 A 19 H61 A 19 34.355 11.290 -2.330 207 2H6 A 19 H62 A 19 32.930 12.288 -2.591 208 H2 A 19 H2 A 19 34.455 16.469 -3.198 209 1H5* G 20 H5' G 20 40.671 19.610 0.795 210 2H5* G 20 H5'' G 20 40.340 18.061 1.540 211 H4* G 20 H4' G 20 38.658 19.508 -0.443 212 H3* G 20 H3' G 20 38.043 18.021 2.151 213 H2* G 20 H2' G 20 35.797 18.051 1.476 214 2HO* G 20 2HO' G 20 36.103 20.233 0.266 215 H1* G 20 H1' G 20 36.513 17.181 -1.105 216 H8 G 20 H8 G 20 38.739 15.371 1.256 217 H1 G 20 H1 G 20 32.915 12.825 0.539 218 1H2 G 20 H21 G 20 31.926 16.043 -0.089 219 2H2 G 20 H22 G 20 31.472 14.353 0.081 220 1H5* C 21 H5' C 21 35.144 20.632 2.621 221 2H5* C 21 H5'' C 21 35.116 21.295 4.261 222 H4* C 21 H4' C 21 33.056 20.185 3.833 223 H3* C 21 H3' C 21 34.730 18.485 5.737 224 H2* C 21 H2' C 21 32.775 17.204 6.015 225 2HO* C 21 2HO' C 21 31.405 19.355 5.550 226 H1* C 21 H1' C 21 32.276 17.202 3.233 227 1H4 C 21 H41 C 21 36.740 12.415 3.897 228 2H4 C 21 H42 C 21 35.146 11.682 4.010 229 H5 C 21 H5 C 21 37.024 14.880 3.874 230 H6 C 21 H6 C 21 35.847 16.969 3.863 231 1H5* C 22 H5' C 22 31.238 18.856 7.911 232 2H5* C 22 H5'' C 22 31.671 19.515 9.501 233 H4* C 22 H4' C 22 30.463 17.552 9.942 234 H3* C 22 H3' C 22 33.415 16.854 10.191 235 H2* C 22 H2' C 22 32.773 14.850 10.976 236 2HO* C 22 2HO' C 22 30.803 16.069 12.155 237 H1* C 22 H1' C 22 30.512 14.639 9.187 238 1H4 C 22 H41 C 22 36.133 12.139 6.625 239 2H4 C 22 H42 C 22 35.095 10.751 6.827 240 H5 C 22 H5 C 22 35.567 14.337 7.264 241 H6 C 22 H6 C 22 33.866 15.735 8.298 242 H3T C 22 H3T C 22 32.698 18.534 11.508 Start of MODEL 5 1 1H5* G 1 H5' G 1 42.122 -0.221 11.095 2 2H5* G 1 H5'' G 1 40.552 -1.006 10.935 3 H4* G 1 H4' G 1 40.533 0.699 12.667 4 H3* G 1 H3' G 1 38.775 1.456 10.295 5 H2* G 1 H2' G 1 37.999 3.130 11.653 6 2HO* G 1 2HO' G 1 38.004 1.797 13.692 7 H1* G 1 H1' G 1 40.518 3.684 12.747 8 H8 G 1 H8 G 1 39.518 3.341 9.051 9 H1 G 1 H1 G 1 39.603 9.282 11.356 10 1H2 G 1 H21 G 1 39.901 7.678 14.395 11 2H2 G 1 H22 G 1 39.573 9.182 13.558 12 H5T G 1 H5T G 1 40.180 0.352 9.094 13 1H5* G 2 H5' G 2 36.221 1.298 13.829 14 2H5* G 2 H5'' G 2 34.558 0.986 13.339 15 H4* G 2 H4' G 2 34.833 3.033 14.625 16 H3* G 2 H3' G 2 33.847 3.592 11.791 17 H2* G 2 H2' G 2 33.433 5.769 12.635 18 2HO* G 2 2HO' G 2 32.867 4.686 14.882 19 H1* G 2 H1' G 2 35.870 5.784 14.096 20 H8 G 2 H8 G 2 36.894 4.599 10.784 21 H1 G 2 H1 G 2 35.528 10.835 10.757 22 1H2 G 2 H21 G 2 33.852 10.196 13.679 23 2H2 G 2 H22 G 2 34.257 11.371 12.439 24 1H5* C 3 H5' C 3 30.784 5.116 14.064 25 2H5* C 3 H5'' C 3 29.201 4.700 13.393 26 H4* C 3 H4' C 3 29.444 7.107 13.529 27 H3* C 3 H3' C 3 29.466 6.101 10.659 28 H2* C 3 H2' C 3 29.452 8.282 9.970 29 2HO* C 3 2HO' C 3 29.188 10.071 11.441 30 H1* C 3 H1' C 3 31.241 9.129 12.092 31 1H4 C 3 H41 C 3 35.192 7.353 7.146 32 2H4 C 3 H42 C 3 34.875 9.060 6.883 33 H5 C 3 H5 C 3 34.099 6.073 8.883 34 H6 C 3 H6 C 3 32.431 6.109 10.576 35 1H5* C 4 H5' C 4 25.736 5.489 7.943 36 2H5* C 4 H5'' C 4 27.496 5.318 7.910 37 H4* C 4 H4' C 4 25.936 7.771 7.115 38 H3* C 4 H3' C 4 27.355 5.647 5.466 39 H2* C 4 H2' C 4 27.834 7.350 3.893 40 2HO* C 4 2HO' C 4 25.803 8.653 4.696 41 H1* C 4 H1' C 4 29.014 8.951 5.807 42 1H4 C 4 H41 C 4 33.459 4.095 6.013 43 2H4 C 4 H42 C 4 33.678 4.761 4.411 44 H5 C 4 H5 C 4 31.716 4.862 7.524 45 H6 C 4 H6 C 4 29.818 6.286 7.751 46 1H5* U 5 H5' U 5 24.979 7.282 2.705 47 2H5* U 5 H5'' U 5 24.043 6.170 1.689 48 H4* U 5 H4' U 5 25.541 7.460 0.339 49 H3* U 5 H3' U 5 26.407 4.548 0.513 50 H2* U 5 H2' U 5 27.954 5.097 -1.171 51 2HO* U 5 2HO' U 5 26.407 7.024 -1.903 52 H1* U 5 H1' U 5 28.985 7.181 0.319 53 H3 U 5 H3 U 5 31.605 3.353 0.840 54 H5 U 5 H5 U 5 29.114 3.618 4.172 55 H6 U 5 H6 U 5 27.882 5.265 3.032 56 1H5* G 6 H5' G 6 26.263 5.179 -3.379 57 2H5* G 6 H5'' G 6 25.456 3.904 -4.302 58 H4* G 6 H4' G 6 27.732 4.188 -5.037 59 H3* G 6 H3' G 6 27.279 1.531 -3.626 60 H2* G 6 H2' G 6 29.459 0.977 -4.345 61 2HO* G 6 2HO' G 6 30.169 1.981 -6.151 62 H1* G 6 H1' G 6 30.538 3.206 -3.345 63 H8 G 6 H8 G 6 27.751 2.621 -0.873 64 H1 G 6 H1 G 6 33.048 -0.897 -0.014 65 1H2 G 6 H21 G 6 33.548 -0.144 -3.366 66 2H2 G 6 H22 G 6 34.151 -0.992 -1.953 67 1H5* A 7 H5' A 7 28.903 0.606 -7.208 68 2H5* A 7 H5'' A 7 28.135 -0.769 -7.993 69 H4* A 7 H4' A 7 30.470 -1.170 -7.791 70 H3* A 7 H3' A 7 28.910 -2.943 -5.901 71 H2* A 7 H2' A 7 30.973 -4.092 -5.592 72 2HO* A 7 2HO' A 7 32.308 -4.072 -7.321 73 H1* A 7 H1' A 7 32.379 -1.699 -5.195 74 H8 A 7 H8 A 7 29.339 -0.851 -3.462 75 1H6 A 7 H61 A 7 30.169 -2.765 0.771 76 2H6 A 7 H62 A 7 31.224 -4.001 1.416 77 H2 A 7 H2 A 7 33.543 -5.535 -2.151 78 1H5* G 8 H5' G 8 30.801 -5.795 -8.208 79 2H5* G 8 H5'' G 8 29.701 -7.124 -8.589 80 H4* G 8 H4' G 8 31.617 -7.936 -7.428 81 H3* G 8 H3' G 8 29.132 -8.119 -5.684 82 H2* G 8 H2' G 8 30.481 -9.406 -4.220 83 2HO* G 8 2HO' G 8 32.627 -9.046 -6.124 84 H1* G 8 H1' G 8 32.511 -7.454 -4.237 85 H8 G 8 H8 G 8 29.284 -5.590 -4.554 86 H1 G 8 H1 G 8 30.535 -7.702 1.361 87 1H2 G 8 H21 G 8 32.832 -9.696 -0.166 88 2H2 G 8 H22 G 8 32.056 -9.214 1.325 89 1H5* G 9 H5' G 9 29.219 -11.800 -5.142 90 2H5* G 9 H5'' G 9 27.866 -12.560 -5.988 91 H4* G 9 H4' G 9 27.612 -13.212 -3.912 92 H3* G 9 H3' G 9 25.738 -10.873 -4.236 93 H2* G 9 H2' G 9 24.931 -11.094 -2.145 94 2HO* G 9 2HO' G 9 26.095 -13.059 -0.847 95 H1* G 9 H1' G 9 27.452 -11.629 -0.915 96 H8 G 9 H8 G 9 27.331 -9.213 -3.620 97 H1 G 9 H1 G 9 24.927 -6.967 1.909 98 1H2 G 9 H21 G 9 25.487 -10.261 2.919 99 2H2 G 9 H22 G 9 24.907 -8.671 3.380 100 1H5* A 10 H5' A 10 21.442 -13.451 -3.094 101 2H5* A 10 H5'' A 10 23.054 -12.873 -2.681 102 H4* A 10 H4' A 10 22.208 -15.720 -3.203 103 H3* A 10 H3' A 10 23.327 -14.376 -0.706 104 H2* A 10 H2' A 10 24.026 -16.521 -0.087 105 2HO* A 10 2HO' A 10 21.964 -17.565 -0.702 106 H1* A 10 H1' A 10 24.433 -17.262 -2.867 107 H8 A 10 H8 A 10 26.882 -14.699 -2.867 108 1H6 A 10 H61 A 10 30.675 -17.215 -1.041 109 2H6 A 10 H62 A 10 30.758 -18.598 0.043 110 H2 A 10 H2 A 10 26.620 -19.904 0.910 111 1H5* G 11 H5' G 11 21.765 -14.301 3.613 112 2H5* G 11 H5'' G 11 23.052 -14.005 2.437 113 H4* G 11 H4' G 11 22.610 -16.605 3.919 114 H3* G 11 H3' G 11 24.656 -14.379 4.294 115 H2* G 11 H2' G 11 26.307 -15.951 4.615 116 2HO* G 11 2HO' G 11 24.817 -17.486 5.821 117 H1* G 11 H1' G 11 25.613 -17.617 2.501 118 H8 G 11 H8 G 11 24.899 -14.456 0.947 119 H1 G 11 H1 G 11 31.209 -15.417 1.651 120 1H2 G 11 H21 G 11 30.237 -17.776 3.982 121 2H2 G 11 H22 G 11 31.569 -16.960 3.174 122 1H5* A 12 H5' A 12 25.807 -16.279 7.674 123 2H5* A 12 H5'' A 12 26.082 -15.181 9.039 124 H4* A 12 H4' A 12 28.179 -16.190 8.188 125 H3* A 12 H3' A 12 28.169 -13.279 7.423 126 H2* A 12 H2' A 12 30.290 -13.287 7.018 127 2HO* A 12 2HO' A 12 31.126 -15.084 8.296 128 H1* A 12 H1' A 12 29.612 -15.257 5.462 129 H8 A 12 H8 A 12 26.595 -13.075 5.443 130 1H6 A 12 H61 A 12 29.189 -10.118 0.628 131 2H6 A 12 H62 A 12 27.629 -10.470 1.357 132 H2 A 12 H2 A 12 32.263 -12.165 2.897 133 1H5* C 13 H5' C 13 31.784 -10.495 10.318 134 2H5* C 13 H5'' C 13 30.478 -9.937 9.246 135 H4* C 13 H4' C 13 32.759 -11.730 8.381 136 H3* C 13 H3' C 13 32.360 -8.767 7.667 137 H2* C 13 H2' C 13 33.621 -9.318 5.765 138 2HO* C 13 2HO' C 13 34.645 -11.282 7.235 139 H1* C 13 H1' C 13 31.966 -11.778 5.465 140 1H4 C 13 H41 C 13 27.783 -7.305 3.234 141 2H4 C 13 H42 C 13 29.119 -6.796 2.230 142 H5 C 13 H5 C 13 27.885 -9.250 4.651 143 H6 C 13 H6 C 13 29.265 -10.576 5.977 144 1H5* U 14 H5' U 14 36.555 -9.636 6.831 145 2H5* U 14 H5'' U 14 37.557 -8.188 6.951 146 H4* U 14 H4' U 14 37.590 -9.324 4.773 147 H3* U 14 H3' U 14 36.585 -6.458 4.558 148 H2* U 14 H2' U 14 36.832 -6.864 2.173 149 2HO* U 14 2HO' U 14 38.613 -8.621 2.616 150 H1* U 14 H1' U 14 35.249 -8.988 2.316 151 H3 U 14 H3 U 14 32.509 -5.535 1.041 152 H5 U 14 H5 U 14 32.175 -5.846 5.216 153 H6 U 14 H6 U 14 34.135 -7.140 5.203 154 1H5* C 15 H5' C 15 39.485 -6.747 1.833 155 2H5* C 15 H5'' C 15 40.599 -5.375 1.802 156 H4* C 15 H4' C 15 39.590 -5.754 -0.364 157 H3* C 15 H3' C 15 38.805 -3.128 0.936 158 H2* C 15 H2' C 15 37.780 -2.574 -1.098 159 2HO* C 15 2HO' C 15 39.117 -3.840 -2.608 160 H1* C 15 H1' C 15 36.285 -4.885 -1.114 161 1H4 C 15 H41 C 15 33.106 -2.118 3.874 162 2H4 C 15 H42 C 15 32.709 -1.133 2.473 163 H5 C 15 H5 C 15 34.849 -3.837 3.780 164 H6 C 15 H6 C 15 36.387 -4.929 2.351 165 1H5* A 16 H5' A 16 40.490 -1.882 -2.581 166 2H5* A 16 H5'' A 16 41.595 -0.509 -2.398 167 H4* A 16 H4' A 16 39.655 0.016 -3.853 168 H3* A 16 H3' A 16 39.704 1.551 -1.232 169 H2* A 16 H2' A 16 37.900 2.694 -1.966 170 2HO* A 16 2HO' A 16 37.874 3.221 -4.098 171 H1* A 16 H1' A 16 36.742 0.268 -3.006 172 H8 A 16 H8 A 16 38.120 0.219 -0.194 173 1H6 A 16 H61 A 16 34.664 1.714 3.056 174 2H6 A 16 H62 A 16 33.159 2.580 2.769 175 H2 A 16 H2 A 16 32.995 3.436 -1.625 176 1H5* G 17 H5' G 17 39.749 6.451 -3.879 177 2H5* G 17 H5'' G 17 39.157 6.110 -2.266 178 H4* G 17 H4' G 17 37.851 5.462 -4.886 179 H3* G 17 H3' G 17 37.730 7.923 -4.066 180 H2* G 17 H2' G 17 36.744 7.682 -1.941 181 2HO* G 17 2HO' G 17 34.853 8.089 -3.902 182 H1* G 17 H1' G 17 34.856 5.486 -2.757 183 H8 G 17 H8 G 17 37.989 5.182 -0.852 184 H1 G 17 H1 G 17 33.002 6.290 2.956 185 1H2 G 17 H21 G 17 31.424 7.228 0.110 186 2H2 G 17 H22 G 17 31.412 7.094 1.869 187 1H5* A 18 H5' A 18 36.430 11.205 -5.327 188 2H5* A 18 H5'' A 18 36.085 10.291 -3.843 189 H4* A 18 H4' A 18 34.066 11.642 -5.618 190 H3* A 18 H3' A 18 35.491 13.276 -4.083 191 H2* A 18 H2' A 18 35.237 12.137 -2.093 192 2HO* A 18 2HO' A 18 33.371 14.175 -2.360 193 H1* A 18 H1' A 18 32.291 11.811 -2.664 194 H8 A 18 H8 A 18 35.429 10.047 -1.343 195 1H6 A 18 H61 A 18 31.825 9.342 3.727 196 2H6 A 18 H62 A 18 33.489 9.228 3.180 197 H2 A 18 H2 A 18 29.293 10.764 0.416 198 1H5* A 19 H5' A 19 35.838 16.719 -3.088 199 2H5* A 19 H5'' A 19 35.467 15.182 -2.343 200 H4* A 19 H4' A 19 34.615 17.932 -1.558 201 H3* A 19 H3' A 19 36.808 16.844 -0.554 202 H2* A 19 H2' A 19 35.421 14.753 -0.034 203 2HO* A 19 2HO' A 19 36.545 16.225 1.999 204 H1* A 19 H1' A 19 33.778 16.934 1.245 205 H8 A 19 H8 A 19 33.907 13.069 0.968 206 1H6 A 19 H61 A 19 29.543 13.465 5.381 207 2H6 A 19 H62 A 19 30.558 12.334 4.482 208 H2 A 19 H2 A 19 30.234 17.493 3.755 209 1H5* G 20 H5' G 20 36.675 19.716 4.595 210 2H5* G 20 H5'' G 20 36.970 18.077 4.070 211 H4* G 20 H4' G 20 34.194 19.254 4.286 212 H3* G 20 H3' G 20 35.818 17.767 6.386 213 H2* G 20 H2' G 20 33.784 16.842 7.161 214 2HO* G 20 2HO' G 20 32.523 18.878 6.676 215 H1* G 20 H1' G 20 32.866 16.270 4.595 216 H8 G 20 H8 G 20 36.491 15.486 4.542 217 H1 G 20 H1 G 20 33.069 10.905 7.403 218 1H2 G 20 H21 G 20 30.856 13.455 8.082 219 2H2 G 20 H22 G 20 31.344 11.799 8.400 220 1H5* C 21 H5' C 21 33.085 19.301 9.051 221 2H5* C 21 H5'' C 21 33.951 20.001 10.426 222 H4* C 21 H4' C 21 32.585 18.199 11.199 223 H3* C 21 H3' C 21 35.505 17.337 11.204 224 H2* C 21 H2' C 21 34.778 15.481 12.448 225 2HO* C 21 2HO' C 21 33.025 16.517 13.691 226 H1* C 21 H1' C 21 32.631 15.071 10.679 227 1H4 C 21 H41 C 21 37.583 12.426 7.343 228 2H4 C 21 H42 C 21 36.948 11.142 8.360 229 H5 C 21 H5 C 21 37.031 14.742 7.694 230 H6 C 21 H6 C 21 35.535 16.248 8.839 231 1H5* C 22 H5' C 22 35.123 16.549 14.921 232 2H5* C 22 H5'' C 22 36.399 17.351 15.851 233 H4* C 22 H4' C 22 36.653 15.046 16.211 234 H3* C 22 H3' C 22 38.712 15.800 14.092 235 H2* C 22 H2' C 22 39.572 13.719 14.446 236 2HO* C 22 2HO' C 22 39.183 13.938 16.927 237 H1* C 22 H1' C 22 36.918 12.578 14.868 238 1H4 C 22 H41 C 22 39.780 11.961 8.852 239 2H4 C 22 H42 C 22 39.612 10.343 9.502 240 H5 C 22 H5 C 22 39.038 13.939 10.050 241 H6 C 22 H6 C 22 37.946 14.711 12.103 242 H3T C 22 H3T C 22 38.818 17.038 15.980 Start of MODEL 6 1 1H5* G 1 H5' G 1 37.377 12.127 15.669 2 2H5* G 1 H5'' G 1 36.625 10.693 14.975 3 H4* G 1 H4' G 1 35.282 12.678 14.665 4 H3* G 1 H3' G 1 36.283 11.578 12.004 5 H2* G 1 H2' G 1 34.759 13.030 11.139 6 2HO* G 1 2HO' G 1 32.875 13.176 12.239 7 H1* G 1 H1' G 1 35.282 15.089 12.894 8 H8 G 1 H8 G 1 37.771 12.981 10.896 9 H1 G 1 H1 G 1 35.612 18.162 7.835 10 1H2 G 1 H21 G 1 33.468 18.401 10.539 11 2H2 G 1 H22 G 1 33.921 19.014 8.961 12 H5T G 1 H5T G 1 38.811 12.191 13.986 13 1H5* G 2 H5' G 2 31.654 11.553 12.360 14 2H5* G 2 H5'' G 2 31.011 10.561 11.057 15 H4* G 2 H4' G 2 30.107 12.816 11.190 16 H3* G 2 H3' G 2 31.453 12.277 8.521 17 H2* G 2 H2' G 2 30.283 14.298 7.860 18 2HO* G 2 2HO' G 2 28.945 15.419 9.335 19 H1* G 2 H1' G 2 31.427 15.655 9.965 20 H8 G 2 H8 G 2 34.004 13.153 9.364 21 H1 G 2 H1 G 2 33.700 17.044 4.352 22 1H2 G 2 H21 G 2 30.662 17.952 5.602 23 2H2 G 2 H22 G 2 31.813 18.069 4.280 24 1H5* C 3 H5' C 3 27.776 13.332 7.431 25 2H5* C 3 H5'' C 3 26.975 12.085 6.461 26 H4* C 3 H4' C 3 26.773 14.110 5.297 27 H3* C 3 H3' C 3 28.979 12.509 3.999 28 H2* C 3 H2' C 3 28.839 14.072 2.198 29 2HO* C 3 2HO' C 3 26.487 14.822 2.765 30 H1* C 3 H1' C 3 29.400 16.056 4.011 31 1H4 C 3 H41 C 3 34.725 12.072 4.274 32 2H4 C 3 H42 C 3 34.943 12.938 2.762 33 H5 C 3 H5 C 3 32.857 12.441 5.731 34 H6 C 3 H6 C 3 30.790 13.530 5.956 35 1H5* C 4 H5' C 4 27.028 14.400 0.488 36 2H5* C 4 H5'' C 4 25.944 13.322 -0.402 37 H4* C 4 H4' C 4 27.753 13.951 -1.782 38 H3* C 4 H3' C 4 27.963 11.016 -0.984 39 H2* C 4 H2' C 4 29.679 10.919 -2.597 40 2HO* C 4 2HO' C 4 28.529 12.944 -3.779 41 H1* C 4 H1' C 4 30.999 13.093 -1.501 42 1H4 C 4 H41 C 4 32.059 8.406 3.046 43 2H4 C 4 H42 C 4 33.076 7.922 1.697 44 H5 C 4 H5 C 4 30.499 10.256 2.911 45 H6 C 4 H6 C 4 29.595 11.955 1.496 46 1H5* U 5 H5' U 5 27.396 10.964 -5.026 47 2H5* U 5 H5'' U 5 26.400 9.661 -5.679 48 H4* U 5 H4' U 5 28.668 9.549 -6.481 49 H3* U 5 H3' U 5 28.083 7.157 -4.651 50 H2* U 5 H2' U 5 30.113 6.338 -5.451 51 2HO* U 5 2HO' U 5 30.569 7.153 -7.501 52 H1* U 5 H1' U 5 31.420 8.664 -4.691 53 H3 U 5 H3 U 5 31.854 5.366 -1.438 54 H5 U 5 H5 U 5 28.931 8.048 -0.120 55 H6 U 5 H6 U 5 28.826 8.886 -2.319 56 1H5* G 6 H5' G 6 29.273 5.502 -7.931 57 2H5* G 6 H5'' G 6 28.251 4.172 -8.483 58 H4* G 6 H4' G 6 30.490 3.451 -8.210 59 H3* G 6 H3' G 6 28.700 2.215 -6.086 60 H2* G 6 H2' G 6 30.575 0.788 -5.700 61 2HO* G 6 2HO' G 6 31.342 1.231 -8.131 62 H1* G 6 H1' G 6 32.201 2.798 -5.372 63 H8 G 6 H8 G 6 29.031 4.353 -4.090 64 H1 G 6 H1 G 6 31.687 0.055 -0.110 65 1H2 G 6 H21 G 6 33.504 -0.822 -2.959 66 2H2 G 6 H22 G 6 33.145 -1.191 -1.278 67 1H5* A 7 H5' A 7 30.671 -0.718 -8.257 68 2H5* A 7 H5'' A 7 29.595 -2.045 -8.693 69 H4* A 7 H4' A 7 31.624 -2.881 -7.697 70 H3* A 7 H3' A 7 29.104 -3.331 -6.098 71 H2* A 7 H2' A 7 30.403 -4.676 -4.659 72 2HO* A 7 2HO' A 7 31.906 -5.153 -6.741 73 H1* A 7 H1' A 7 32.448 -2.813 -4.418 74 H8 A 7 H8 A 7 29.713 -0.522 -4.497 75 1H6 A 7 H61 A 7 28.284 -0.587 -0.029 76 2H6 A 7 H62 A 7 28.380 -1.680 1.336 77 H2 A 7 H2 A 7 30.914 -5.130 -0.184 78 1H5* G 8 H5' G 8 30.457 -7.044 -6.371 79 2H5* G 8 H5'' G 8 29.215 -8.185 -6.905 80 H4* G 8 H4' G 8 30.040 -8.885 -4.813 81 H3* G 8 H3' G 8 27.296 -7.655 -4.396 82 H2* G 8 H2' G 8 27.412 -8.668 -2.225 83 2HO* G 8 2HO' G 8 28.764 -10.551 -2.668 84 H1* G 8 H1' G 8 29.887 -7.446 -1.822 85 H8 G 8 H8 G 8 27.915 -5.153 -4.044 86 H1 G 8 H1 G 8 26.506 -4.803 2.202 87 1H2 G 8 H21 G 8 28.153 -7.776 2.392 88 2H2 G 8 H22 G 8 27.263 -6.530 3.255 89 1H5* G 9 H5' G 9 25.163 -11.179 -2.084 90 2H5* G 9 H5'' G 9 24.109 -11.608 -3.435 91 H4* G 9 H4' G 9 22.916 -10.559 -1.735 92 H3* G 9 H3' G 9 23.154 -8.558 -4.016 93 H2* G 9 H2' G 9 21.625 -7.263 -2.899 94 2HO* G 9 2HO' G 9 20.959 -8.712 -0.675 95 H1* G 9 H1' G 9 22.743 -7.935 -0.308 96 H8 G 9 H8 G 9 24.598 -7.076 -3.345 97 H1 G 9 H1 G 9 22.144 -2.016 -0.208 98 1H2 G 9 H21 G 9 21.120 -4.546 1.987 99 2H2 G 9 H22 G 9 21.051 -2.824 1.628 100 1H5* A 10 H5' A 10 17.923 -8.095 -4.786 101 2H5* A 10 H5'' A 10 19.273 -8.138 -3.660 102 H4* A 10 H4' A 10 16.979 -10.086 -3.892 103 H3* A 10 H3' A 10 18.135 -8.551 -1.503 104 H2* A 10 H2' A 10 17.257 -10.252 -0.165 105 2HO* A 10 2HO' A 10 15.172 -10.340 -1.297 106 H1* A 10 H1' A 10 17.724 -12.274 -2.185 107 H8 A 10 H8 A 10 21.071 -11.184 -2.064 108 1H6 A 10 H61 A 10 21.831 -14.656 3.046 109 2H6 A 10 H62 A 10 22.657 -13.908 1.682 110 H2 A 10 H2 A 10 17.516 -13.688 2.690 111 1H5* G 11 H5' G 11 15.665 -6.094 1.795 112 2H5* G 11 H5'' G 11 17.281 -6.599 1.292 113 H4* G 11 H4' G 11 15.360 -8.161 3.016 114 H3* G 11 H3' G 11 18.124 -6.978 3.538 115 H2* G 11 H2' G 11 18.627 -8.854 4.836 116 2HO* G 11 2HO' G 11 16.508 -9.058 5.875 117 H1* G 11 H1' G 11 17.564 -10.750 3.100 118 H8 G 11 H8 G 11 18.995 -8.564 0.652 119 H1 G 11 H1 G 11 23.604 -11.622 3.875 120 1H2 G 11 H21 G 11 22.829 -12.386 5.764 121 2H2 G 11 H22 G 11 21.147 -12.166 6.216 122 1H5* A 12 H5' A 12 17.208 -7.306 7.733 123 2H5* A 12 H5'' A 12 17.897 -5.936 8.619 124 H4* A 12 H4' A 12 19.064 -8.102 9.052 125 H3* A 12 H3' A 12 20.895 -6.262 7.507 126 H2* A 12 H2' A 12 22.630 -7.488 7.995 127 2HO* A 12 2HO' A 12 21.107 -8.548 9.944 128 H1* A 12 H1' A 12 21.220 -9.329 6.932 129 H8 A 12 H8 A 12 19.962 -6.363 5.024 130 1H6 A 12 H61 A 12 24.865 -7.090 1.327 131 2H6 A 12 H62 A 12 23.192 -6.547 1.324 132 H2 A 12 H2 A 12 25.701 -8.747 5.270 133 1H5* C 13 H5' C 13 24.014 -3.114 10.818 134 2H5* C 13 H5'' C 13 23.472 -2.970 9.162 135 H4* C 13 H4' C 13 24.698 -5.426 10.430 136 H3* C 13 H3' C 13 25.788 -3.511 8.323 137 H2* C 13 H2' C 13 27.171 -5.226 7.691 138 2HO* C 13 2HO' C 13 27.623 -6.886 9.034 139 H1* C 13 H1' C 13 24.821 -7.038 7.538 140 1H4 C 13 H41 C 13 23.515 -3.357 2.343 141 2H4 C 13 H42 C 13 25.212 -3.556 1.984 142 H5 C 13 H5 C 13 22.455 -4.363 4.261 143 H6 C 13 H6 C 13 22.775 -5.180 6.418 144 1H5* U 14 H5' U 14 29.118 -5.237 9.877 145 2H5* U 14 H5'' U 14 30.547 -4.215 10.067 146 H4* U 14 H4' U 14 30.954 -6.093 8.604 147 H3* U 14 H3' U 14 31.046 -3.472 7.046 148 H2* U 14 H2' U 14 31.891 -4.880 5.273 149 2HO* U 14 2HO' U 14 32.792 -6.551 6.966 150 H1* U 14 H1' U 14 29.793 -6.465 5.389 151 H3 U 14 H3 U 14 29.011 -3.339 2.061 152 H5 U 14 H5 U 14 27.128 -1.881 5.534 153 H6 U 14 H6 U 14 28.252 -3.525 6.748 154 1H5* C 15 H5' C 15 34.427 -5.320 6.195 155 2H5* C 15 H5'' C 15 35.860 -4.291 6.186 156 H4* C 15 H4' C 15 35.536 -5.384 4.052 157 H3* C 15 H3' C 15 35.274 -2.362 4.011 158 H2* C 15 H2' C 15 35.131 -2.521 1.681 159 2HO* C 15 2HO' C 15 36.392 -4.784 1.820 160 H1* C 15 H1' C 15 33.092 -4.389 1.752 161 1H4 C 15 H41 C 15 29.775 0.943 3.754 162 2H4 C 15 H42 C 15 30.253 1.261 2.084 163 H5 C 15 H5 C 15 30.704 -0.996 4.980 164 H6 C 15 H6 C 15 32.040 -2.950 4.746 165 1H5* A 16 H5' A 16 37.988 -3.322 1.248 166 2H5* A 16 H5'' A 16 39.493 -2.391 1.278 167 H4* A 16 H4' A 16 38.302 -2.209 -0.893 168 H3* A 16 H3' A 16 38.552 0.354 0.728 169 H2* A 16 H2' A 16 37.520 1.438 -0.898 170 2HO* A 16 2HO' A 16 38.021 1.026 -2.956 171 H1* A 16 H1' A 16 35.706 -0.739 -1.433 172 H8 A 16 H8 A 16 36.130 0.197 1.520 173 1H6 A 16 H61 A 16 33.093 4.112 2.273 174 2H6 A 16 H62 A 16 32.264 5.120 1.093 175 H2 A 16 H2 A 16 33.592 3.738 -2.930 176 1H5* G 17 H5' G 17 41.267 2.920 -2.616 177 2H5* G 17 H5'' G 17 40.273 4.118 -1.826 178 H4* G 17 H4' G 17 39.578 2.200 -3.982 179 H3* G 17 H3' G 17 40.312 4.599 -4.389 180 H2* G 17 H2' G 17 38.846 5.795 -2.976 181 2HO* G 17 2HO' G 17 36.809 6.318 -4.314 182 H1* G 17 H1' G 17 36.422 4.206 -3.789 183 H8 G 17 H8 G 17 38.363 4.025 -0.666 184 H1 G 17 H1 G 17 33.616 8.271 -0.371 185 1H2 G 17 H21 G 17 33.831 8.172 -3.760 186 2H2 G 17 H22 G 17 33.145 8.936 -2.321 187 1H5* A 18 H5' A 18 41.624 6.200 -5.938 188 2H5* A 18 H5'' A 18 40.112 6.822 -5.296 189 H4* A 18 H4' A 18 41.517 7.784 -7.758 190 H3* A 18 H3' A 18 42.558 8.528 -5.453 191 H2* A 18 H2' A 18 40.511 8.845 -4.469 192 2HO* A 18 2HO' A 18 41.470 11.420 -5.272 193 H1* A 18 H1' A 18 39.803 10.740 -6.712 194 H8 A 18 H8 A 18 38.568 8.399 -4.010 195 1H6 A 18 H61 A 18 33.871 10.108 -3.810 196 2H6 A 18 H62 A 18 33.070 11.331 -4.782 197 H2 A 18 H2 A 18 35.932 12.966 -7.681 198 1H5* A 19 H5' A 19 43.844 13.817 -5.625 199 2H5* A 19 H5'' A 19 42.899 12.855 -4.486 200 H4* A 19 H4' A 19 41.755 14.643 -6.624 201 H3* A 19 H3' A 19 42.849 15.963 -4.669 202 H2* A 19 H2' A 19 41.997 14.244 -3.039 203 2HO* A 19 2HO' A 19 40.555 16.720 -2.989 204 H1* A 19 H1' A 19 39.332 15.017 -4.210 205 H8 A 19 H8 A 19 41.138 12.222 -2.155 206 1H6 A 19 H61 A 19 35.328 10.543 -0.578 207 2H6 A 19 H62 A 19 37.017 10.120 -0.339 208 H2 A 19 H2 A 19 35.097 13.975 -3.350 209 1H5* G 20 H5' G 20 40.174 20.439 -3.752 210 2H5* G 20 H5'' G 20 40.128 19.534 -2.256 211 H4* G 20 H4' G 20 38.464 19.092 -4.699 212 H3* G 20 H3' G 20 37.791 19.438 -1.755 213 H2* G 20 H2' G 20 35.684 18.507 -2.305 214 2HO* G 20 2HO' G 20 36.628 18.173 -5.016 215 H1* G 20 H1' G 20 36.935 16.351 -3.575 216 H8 G 20 H8 G 20 39.335 17.005 -0.899 217 H1 G 20 H1 G 20 34.004 14.191 1.222 218 1H2 G 20 H21 G 20 32.473 16.027 -1.220 219 2H2 G 20 H22 G 20 32.295 15.040 0.215 220 1H5* C 21 H5' C 21 34.519 21.058 -3.342 221 2H5* C 21 H5'' C 21 34.169 22.729 -2.854 222 H4* C 21 H4' C 21 32.233 21.472 -2.339 223 H3* C 21 H3' C 21 33.822 22.021 0.205 224 H2* C 21 H2' C 21 32.119 21.004 1.408 225 2HO* C 21 2HO' C 21 30.345 21.765 -0.088 226 H1* C 21 H1' C 21 31.976 18.798 -0.269 227 1H4 C 21 H41 C 21 37.473 17.131 2.728 228 2H4 C 21 H42 C 21 36.184 16.626 3.803 229 H5 C 21 H5 C 21 37.110 18.702 0.947 230 H6 C 21 H6 C 21 35.446 19.733 -0.391 231 1H5* C 22 H5' C 22 30.753 23.288 1.923 232 2H5* C 22 H5'' C 22 31.020 24.930 2.540 233 H4* C 22 H4' C 22 30.692 23.466 4.405 234 H3* C 22 H3' C 22 33.668 24.090 4.151 235 H2* C 22 H2' C 22 33.911 23.068 6.147 236 2HO* C 22 2HO' C 22 32.158 22.613 7.597 237 H1* C 22 H1' C 22 31.753 21.156 5.579 238 1H4 C 22 H41 C 22 38.067 19.070 4.844 239 2H4 C 22 H42 C 22 37.405 18.226 6.229 240 H5 C 22 H5 C 22 36.781 20.729 3.590 241 H6 C 22 H6 C 22 34.617 21.864 3.469 242 H3T C 22 H3T C 22 31.821 25.320 5.856 Start of MODEL 7 1 1H5* G 1 H5' G 1 45.123 3.605 3.337 2 2H5* G 1 H5'' G 1 43.588 2.840 3.741 3 H4* G 1 H4' G 1 43.728 5.005 4.735 4 H3* G 1 H3' G 1 41.662 5.023 2.493 5 H2* G 1 H2' G 1 41.076 7.068 3.369 6 2HO* G 1 2HO' G 1 41.048 7.023 5.559 7 H1* G 1 H1' G 1 43.720 7.752 4.052 8 H8 G 1 H8 G 1 42.251 6.753 0.616 9 H1 G 1 H1 G 1 43.182 13.040 1.590 10 1H2 G 1 H21 G 1 43.990 12.056 4.779 11 2H2 G 1 H22 G 1 43.775 13.380 3.650 12 H5T G 1 H5T G 1 44.154 2.561 1.533 13 1H5* G 2 H5' G 2 39.824 6.007 6.584 14 2H5* G 2 H5'' G 2 38.079 5.835 6.420 15 H4* G 2 H4' G 2 38.657 7.977 7.251 16 H3* G 2 H3' G 2 37.505 8.250 4.446 17 H2* G 2 H2' G 2 37.306 10.562 5.041 18 2HO* G 2 2HO' G 2 36.905 10.037 7.440 19 H1* G 2 H1' G 2 39.941 10.587 6.026 20 H8 G 2 H8 G 2 39.697 8.439 2.955 21 H1 G 2 H1 G 2 39.715 14.677 1.610 22 1H2 G 2 H21 G 2 39.455 15.087 5.017 23 2H2 G 2 H22 G 2 39.499 15.839 3.433 24 1H5* C 3 H5' C 3 34.497 9.932 6.843 25 2H5* C 3 H5'' C 3 32.924 9.256 6.403 26 H4* C 3 H4' C 3 32.773 11.622 6.264 27 H3* C 3 H3' C 3 32.904 10.377 3.511 28 H2* C 3 H2' C 3 32.432 12.531 2.645 29 2HO* C 3 2HO' C 3 31.014 13.204 4.484 30 H1* C 3 H1' C 3 34.406 13.710 4.263 31 1H4 C 3 H41 C 3 37.758 10.671 -0.563 32 2H4 C 3 H42 C 3 37.259 12.204 -1.255 33 H5 C 3 H5 C 3 36.953 9.884 1.556 34 H6 C 3 H6 C 3 35.620 10.418 3.457 35 1H5* C 4 H5' C 4 29.727 11.875 2.537 36 2H5* C 4 H5'' C 4 28.461 10.785 1.944 37 H4* C 4 H4' C 4 29.232 12.208 0.165 38 H3* C 4 H3' C 4 30.072 9.301 -0.217 39 H2* C 4 H2' C 4 30.887 10.011 -2.350 40 2HO* C 4 2HO' C 4 29.669 11.693 -3.134 41 H1* C 4 H1' C 4 32.328 12.103 -1.266 42 1H4 C 4 H41 C 4 35.615 6.754 0.879 43 2H4 C 4 H42 C 4 36.121 6.844 -0.791 44 H5 C 4 H5 C 4 34.039 8.204 1.887 45 H6 C 4 H6 C 4 32.487 9.958 1.496 46 1H5* U 5 H5' U 5 27.326 10.005 -3.402 47 2H5* U 5 H5'' U 5 26.323 8.614 -3.830 48 H4* U 5 H4' U 5 27.851 9.213 -5.601 49 H3* U 5 H3' U 5 28.577 6.464 -4.438 50 H2* U 5 H2' U 5 30.034 6.321 -6.260 51 2HO* U 5 2HO' U 5 28.669 7.834 -7.674 52 H1* U 5 H1' U 5 31.243 8.725 -5.575 53 H3 U 5 H3 U 5 33.502 4.972 -3.811 54 H5 U 5 H5 U 5 31.305 6.729 -0.718 55 H6 U 5 H6 U 5 30.141 7.943 -2.345 56 1H5* G 6 H5' G 6 28.269 5.647 -8.194 57 2H5* G 6 H5'' G 6 27.114 4.353 -8.526 58 H4* G 6 H4' G 6 29.182 3.837 -9.546 59 H3* G 6 H3' G 6 28.579 1.995 -7.204 60 H2* G 6 H2' G 6 30.425 0.742 -7.929 61 2HO* G 6 2HO' G 6 30.059 1.353 -10.307 62 H1* G 6 H1' G 6 32.058 2.840 -8.082 63 H8 G 6 H8 G 6 30.000 3.921 -5.199 64 H1 G 6 H1 G 6 34.267 -0.691 -3.882 65 1H2 G 6 H21 G 6 34.292 -1.119 -7.312 66 2H2 G 6 H22 G 6 34.827 -1.722 -5.755 67 1H5* A 7 H5' A 7 29.084 -0.706 -10.234 68 2H5* A 7 H5'' A 7 27.751 -1.857 -10.264 69 H4* A 7 H4' A 7 29.721 -3.084 -10.190 70 H3* A 7 H3' A 7 28.448 -3.211 -7.434 71 H2* A 7 H2' A 7 30.076 -4.856 -6.992 72 2HO* A 7 2HO' A 7 30.012 -5.730 -9.296 73 H1* A 7 H1' A 7 32.172 -3.343 -8.107 74 H8 A 7 H8 A 7 30.377 -0.695 -6.445 75 1H6 A 7 H61 A 7 31.481 -1.365 -1.884 76 2H6 A 7 H62 A 7 32.211 -2.637 -0.932 77 H2 A 7 H2 A 7 33.204 -5.906 -3.901 78 1H5* G 8 H5' G 8 28.612 -7.172 -8.449 79 2H5* G 8 H5'' G 8 27.125 -8.013 -8.003 80 H4* G 8 H4' G 8 28.982 -9.031 -6.948 81 H3* G 8 H3' G 8 27.403 -7.505 -4.867 82 H2* G 8 H2' G 8 28.691 -8.782 -3.289 83 2HO* G 8 2HO' G 8 29.152 -10.747 -4.550 84 H1* G 8 H1' G 8 31.008 -7.874 -4.564 85 H8 G 8 H8 G 8 28.643 -5.074 -5.095 86 H1 G 8 H1 G 8 30.892 -5.490 0.887 87 1H2 G 8 H21 G 8 31.979 -8.568 -0.082 88 2H2 G 8 H22 G 8 31.912 -7.357 1.187 89 1H5* G 9 H5' G 9 23.889 -9.816 -3.562 90 2H5* G 9 H5'' G 9 24.873 -8.361 -3.714 91 H4* G 9 H4' G 9 24.154 -9.888 -1.268 92 H3* G 9 H3' G 9 23.539 -7.091 -2.220 93 H2* G 9 H2' G 9 23.678 -6.170 -0.149 94 2HO* G 9 2HO' G 9 22.619 -8.265 0.853 95 H1* G 9 H1' G 9 25.896 -7.687 0.775 96 H8 G 9 H8 G 9 25.973 -6.589 -2.707 97 H1 G 9 H1 G 9 26.568 -1.748 1.493 98 1H2 G 9 H21 G 9 26.609 -4.364 3.771 99 2H2 G 9 H22 G 9 26.663 -2.623 3.565 100 1H5* A 10 H5' A 10 19.492 -6.197 0.844 101 2H5* A 10 H5'' A 10 21.197 -6.557 0.603 102 H4* A 10 H4' A 10 19.087 -8.331 1.825 103 H3* A 10 H3' A 10 21.770 -7.359 2.885 104 H2* A 10 H2' A 10 21.571 -9.170 4.408 105 2HO* A 10 2HO' A 10 19.211 -8.773 4.766 106 H1* A 10 H1' A 10 20.306 -10.758 2.398 107 H8 A 10 H8 A 10 23.331 -10.243 0.527 108 1H6 A 10 H61 A 10 26.095 -14.492 4.101 109 2H6 A 10 H62 A 10 26.149 -13.678 2.541 110 H2 A 10 H2 A 10 22.592 -12.964 6.320 111 1H5* G 11 H5' G 11 20.460 -6.801 6.912 112 2H5* G 11 H5'' G 11 21.531 -5.528 7.517 113 H4* G 11 H4' G 11 21.974 -7.805 8.417 114 H3* G 11 H3' G 11 24.335 -6.617 6.892 115 H2* G 11 H2' G 11 25.513 -8.508 7.674 116 2HO* G 11 2HO' G 11 24.261 -8.626 9.802 117 H1* G 11 H1' G 11 23.445 -10.256 6.906 118 H8 G 11 H8 G 11 23.430 -7.876 4.124 119 H1 G 11 H1 G 11 28.485 -11.797 3.963 120 1H2 G 11 H21 G 11 27.861 -12.165 7.330 121 2H2 G 11 H22 G 11 28.925 -12.544 5.983 122 1H5* A 12 H5' A 12 26.249 -7.043 10.665 123 2H5* A 12 H5'' A 12 27.461 -5.781 10.924 124 H4* A 12 H4' A 12 28.418 -8.071 10.691 125 H3* A 12 H3' A 12 29.190 -6.471 8.301 126 H2* A 12 H2' A 12 30.805 -7.917 7.778 127 2HO* A 12 2HO' A 12 31.185 -9.047 9.840 128 H1* A 12 H1' A 12 28.781 -9.527 7.762 129 H8 A 12 H8 A 12 27.227 -6.256 6.921 130 1H6 A 12 H61 A 12 28.708 -7.407 1.023 131 2H6 A 12 H62 A 12 27.523 -6.571 2.016 132 H2 A 12 H2 A 12 31.421 -9.545 3.717 133 1H5* C 13 H5' C 13 34.632 -5.815 9.855 134 2H5* C 13 H5'' C 13 34.320 -4.600 8.627 135 H4* C 13 H4' C 13 34.229 -7.547 8.345 136 H3* C 13 H3' C 13 34.903 -5.282 6.400 137 H2* C 13 H2' C 13 34.774 -6.850 4.737 138 2HO* C 13 2HO' C 13 35.500 -8.650 6.497 139 H1* C 13 H1' C 13 32.369 -8.052 6.033 140 1H4 C 13 H41 C 13 29.176 -3.471 2.867 141 2H4 C 13 H42 C 13 30.189 -3.900 1.512 142 H5 C 13 H5 C 13 29.265 -4.601 4.987 143 H6 C 13 H6 C 13 30.664 -5.756 6.463 144 1H5* U 14 H5' U 14 37.436 -8.185 4.937 145 2H5* U 14 H5'' U 14 38.973 -7.485 4.421 146 H4* U 14 H4' U 14 37.816 -8.636 2.633 147 H3* U 14 H3' U 14 37.990 -5.643 2.068 148 H2* U 14 H2' U 14 37.286 -6.300 -0.097 149 2HO* U 14 2HO' U 14 37.209 -8.397 -0.792 150 H1* U 14 H1' U 14 35.276 -7.825 0.860 151 H3 U 14 H3 U 14 33.137 -4.257 -0.866 152 H5 U 14 H5 U 14 34.194 -3.106 3.052 153 H6 U 14 H6 U 14 35.629 -5.015 3.145 154 1H5* C 15 H5' C 15 39.576 -7.435 -1.218 155 2H5* C 15 H5'' C 15 40.906 -6.511 -1.905 156 H4* C 15 H4' C 15 39.197 -6.817 -3.517 157 H3* C 15 H3' C 15 39.408 -3.904 -2.694 158 H2* C 15 H2' C 15 37.990 -3.489 -4.537 159 2HO* C 15 2HO' C 15 38.889 -5.595 -5.698 160 H1* C 15 H1' C 15 36.178 -5.426 -3.795 161 1H4 C 15 H41 C 15 35.116 -0.344 0.316 162 2H4 C 15 H42 C 15 34.278 0.044 -1.188 163 H5 C 15 H5 C 15 36.396 -2.396 0.574 164 H6 C 15 H6 C 15 37.219 -4.343 -0.556 165 1H5* A 16 H5' A 16 39.879 -3.755 -6.589 166 2H5* A 16 H5'' A 16 41.233 -2.758 -7.143 167 H4* A 16 H4' A 16 39.017 -2.011 -8.001 168 H3* A 16 H3' A 16 40.410 -0.027 -6.159 169 H2* A 16 H2' A 16 38.739 1.384 -6.612 170 2HO* A 16 2HO' A 16 38.662 0.286 -9.102 171 H1* A 16 H1' A 16 36.845 -0.845 -6.784 172 H8 A 16 H8 A 16 38.496 -0.440 -4.170 173 1H6 A 16 H61 A 16 36.085 2.965 -1.450 174 2H6 A 16 H62 A 16 34.873 4.143 -1.926 175 H2 A 16 H2 A 16 34.374 3.688 -6.365 176 1H5* G 17 H5' G 17 39.778 2.028 -9.902 177 2H5* G 17 H5'' G 17 41.040 3.237 -10.122 178 H4* G 17 H4' G 17 38.818 4.237 -10.129 179 H3* G 17 H3' G 17 40.467 5.098 -7.723 180 H2* G 17 H2' G 17 38.896 6.502 -7.235 181 2HO* G 17 2HO' G 17 37.583 7.513 -8.640 182 H1* G 17 H1' G 17 36.683 4.796 -7.940 183 H8 G 17 H8 G 17 39.625 3.838 -5.939 184 H1 G 17 H1 G 17 35.644 7.523 -2.615 185 1H2 G 17 H21 G 17 34.370 8.324 -5.649 186 2H2 G 17 H22 G 17 34.426 8.625 -3.926 187 1H5* A 18 H5' A 18 42.688 9.517 -8.218 188 2H5* A 18 H5'' A 18 41.076 9.149 -7.677 189 H4* A 18 H4' A 18 41.840 11.006 -9.915 190 H3* A 18 H3' A 18 42.073 11.929 -7.513 191 H2* A 18 H2' A 18 40.107 10.815 -6.764 192 2HO* A 18 2HO' A 18 40.246 13.519 -6.612 193 H1* A 18 H1' A 18 38.646 12.366 -8.908 194 H8 A 18 H8 A 18 38.993 9.016 -7.205 195 1H6 A 18 H61 A 18 34.133 7.737 -7.360 196 2H6 A 18 H62 A 18 32.738 8.725 -7.768 197 H2 A 18 H2 A 18 34.090 12.609 -9.297 198 1H5* A 19 H5' A 19 40.952 17.139 -7.685 199 2H5* A 19 H5'' A 19 40.063 16.628 -6.267 200 H4* A 19 H4' A 19 39.331 15.904 -9.094 201 H3* A 19 H3' A 19 38.369 18.029 -7.358 202 H2* A 19 H2' A 19 36.418 17.233 -6.915 203 2HO* A 19 2HO' A 19 35.914 18.083 -9.135 204 H1* A 19 H1' A 19 36.716 14.863 -8.738 205 H8 A 19 H8 A 19 37.152 12.832 -6.355 206 1H6 A 19 H61 A 19 31.803 13.420 -3.399 207 2H6 A 19 H62 A 19 33.208 12.394 -3.680 208 H2 A 19 H2 A 19 32.369 17.070 -5.885 209 1H5* G 20 H5' G 20 37.817 21.880 -6.996 210 2H5* G 20 H5'' G 20 38.448 20.318 -6.472 211 H4* G 20 H4' G 20 35.626 21.327 -6.055 212 H3* G 20 H3' G 20 37.862 20.502 -4.132 213 H2* G 20 H2' G 20 36.220 19.805 -2.622 214 2HO* G 20 2HO' G 20 34.680 21.562 -2.997 215 H1* G 20 H1' G 20 34.608 18.645 -4.655 216 H8 G 20 H8 G 20 38.225 17.771 -5.220 217 H1 G 20 H1 G 20 35.313 13.991 -1.009 218 1H2 G 20 H21 G 20 33.153 16.682 -0.654 219 2H2 G 20 H22 G 20 33.570 15.068 -0.115 220 1H5* C 21 H5' C 21 35.864 22.364 -0.957 221 2H5* C 21 H5'' C 21 37.112 23.390 -0.212 222 H4* C 21 H4' C 21 36.377 21.759 1.390 223 H3* C 21 H3' C 21 39.151 21.058 0.331 224 H2* C 21 H2' C 21 39.259 19.486 2.005 225 2HO* C 21 2HO' C 21 38.078 19.573 3.833 226 H1* C 21 H1' C 21 36.521 18.704 1.567 227 1H4 C 21 H41 C 21 39.986 15.056 -2.624 228 2H4 C 21 H42 C 21 39.802 14.118 -1.140 229 H5 C 21 H5 C 21 39.568 17.467 -2.649 230 H6 C 21 H6 C 21 38.495 19.278 -1.452 231 1H5* C 22 H5' C 22 40.675 21.501 4.199 232 2H5* C 22 H5'' C 22 42.052 22.600 3.992 233 H4* C 22 H4' C 22 42.966 20.676 4.896 234 H3* C 22 H3' C 22 43.409 20.409 1.891 235 H2* C 22 H2' C 22 44.765 18.631 2.438 236 2HO* C 22 2HO' C 22 45.779 18.409 4.379 237 H1* C 22 H1' C 22 43.014 17.832 4.631 238 1H4 C 22 H41 C 22 42.250 14.929 -1.319 239 2H4 C 22 H42 C 22 42.686 13.619 -0.254 240 H5 C 22 H5 C 22 41.906 17.149 -0.642 241 H6 C 22 H6 C 22 42.014 18.700 1.214 242 H3T C 22 H3T C 22 45.167 21.379 3.862 Start of MODEL 8 1 1H5* G 1 H5' G 1 43.833 6.487 16.671 2 2H5* G 1 H5'' G 1 42.257 6.120 15.972 3 H4* G 1 H4' G 1 42.783 8.423 15.608 4 H3* G 1 H3' G 1 42.954 6.879 12.994 5 H2* G 1 H2' G 1 43.202 8.898 11.999 6 2HO* G 1 2HO' G 1 42.522 10.868 12.823 7 H1* G 1 H1' G 1 44.425 10.102 14.322 8 H8 G 1 H8 G 1 45.746 7.285 12.086 9 H1 G 1 H1 G 1 46.831 13.212 9.929 10 1H2 G 1 H21 G 1 45.091 14.156 12.762 11 2H2 G 1 H22 G 1 45.847 14.662 11.262 12 H5T G 1 H5T G 1 43.460 5.276 14.128 13 1H5* G 2 H5' G 2 39.449 9.842 13.618 14 2H5* G 2 H5'' G 2 38.142 9.502 12.481 15 H4* G 2 H4' G 2 38.588 11.851 12.634 16 H3* G 2 H3' G 2 39.281 10.751 9.879 17 H2* G 2 H2' G 2 39.564 13.036 9.273 18 2HO* G 2 2HO' G 2 37.842 13.587 11.186 19 H1* G 2 H1' G 2 41.180 13.557 11.510 20 H8 G 2 H8 G 2 42.181 10.171 10.758 21 H1 G 2 H1 G 2 44.398 14.268 6.394 22 1H2 G 2 H21 G 2 41.824 16.280 7.438 23 2H2 G 2 H22 G 2 43.117 16.013 6.283 24 1H5* C 3 H5' C 3 36.603 13.615 9.380 25 2H5* C 3 H5'' C 3 35.215 13.279 8.341 26 H4* C 3 H4' C 3 36.388 15.209 7.510 27 H3* C 3 H3' C 3 36.681 12.760 5.752 28 H2* C 3 H2' C 3 37.726 14.120 4.171 29 2HO* C 3 2HO' C 3 36.645 16.149 4.458 30 H1* C 3 H1' C 3 39.457 15.219 6.071 31 1H4 C 3 H41 C 3 42.683 9.646 5.757 32 2H4 C 3 H42 C 3 43.157 10.557 4.333 33 H5 C 3 H5 C 3 40.740 10.288 7.107 34 H6 C 3 H6 C 3 39.067 11.964 7.398 35 1H5* C 4 H5' C 4 34.063 12.926 1.487 36 2H5* C 4 H5'' C 4 34.723 11.582 2.417 37 H4* C 4 H4' C 4 36.078 13.403 0.489 38 H3* C 4 H3' C 4 36.133 10.422 1.090 39 H2* C 4 H2' C 4 38.316 10.337 0.123 40 2HO* C 4 2HO' C 4 38.367 11.987 -1.452 41 H1* C 4 H1' C 4 39.259 12.297 1.765 42 1H4 C 4 H41 C 4 38.288 8.312 6.776 43 2H4 C 4 H42 C 4 39.701 7.632 5.985 44 H5 C 4 H5 C 4 36.824 9.883 5.723 45 H6 C 4 H6 C 4 36.591 11.359 3.864 46 1H5* U 5 H5' U 5 36.945 10.183 -2.937 47 2H5* U 5 H5'' U 5 35.830 9.127 -3.827 48 H4* U 5 H4' U 5 38.034 8.249 -4.054 49 H3* U 5 H3' U 5 36.430 6.497 -2.128 50 H2* U 5 H2' U 5 38.242 5.041 -2.150 51 2HO* U 5 2HO' U 5 39.206 5.241 -4.218 52 H1* U 5 H1' U 5 40.021 7.065 -1.481 53 H3 U 5 H3 U 5 38.627 4.679 2.311 54 H5 U 5 H5 U 5 36.402 8.211 2.182 55 H6 U 5 H6 U 5 37.180 8.504 -0.023 56 1H5* G 6 H5' G 6 37.505 3.664 -4.604 57 2H5* G 6 H5'' G 6 36.097 2.862 -5.322 58 H4* G 6 H4' G 6 37.482 1.232 -4.291 59 H3* G 6 H3' G 6 34.953 1.680 -2.662 60 H2* G 6 H2' G 6 35.583 -0.240 -1.508 61 2HO* G 6 2HO' G 6 37.250 -1.578 -2.102 62 H1* G 6 H1' G 6 38.081 0.621 -1.121 63 H8 G 6 H8 G 6 36.225 3.841 -0.729 64 H1 G 6 H1 G 6 35.778 -0.263 4.201 65 1H2 G 6 H21 G 6 37.164 -2.475 1.907 66 2H2 G 6 H22 G 6 36.518 -2.262 3.521 67 1H5* A 7 H5' A 7 35.262 -2.346 -3.639 68 2H5* A 7 H5'' A 7 33.717 -3.011 -4.156 69 H4* A 7 H4' A 7 34.676 -4.414 -2.494 70 H3* A 7 H3' A 7 32.226 -2.964 -1.439 71 H2* A 7 H2' A 7 32.388 -4.399 0.402 72 2HO* A 7 2HO' A 7 33.763 -6.160 0.505 73 H1* A 7 H1' A 7 35.132 -3.949 0.733 74 H8 A 7 H8 A 7 34.129 -0.617 -0.197 75 1H6 A 7 H61 A 7 32.467 1.045 3.892 76 2H6 A 7 H62 A 7 31.983 0.373 5.434 77 H2 A 7 H2 A 7 32.467 -4.103 4.949 78 1H5* G 8 H5' G 8 31.441 -6.817 -0.905 79 2H5* G 8 H5'' G 8 29.819 -7.282 -1.410 80 H4* G 8 H4' G 8 30.103 -7.885 0.840 81 H3* G 8 H3' G 8 28.355 -5.412 0.742 82 H2* G 8 H2' G 8 27.853 -5.948 3.034 83 2HO* G 8 2HO' G 8 28.186 -8.352 2.884 84 H1* G 8 H1' G 8 30.582 -6.006 3.563 85 H8 G 8 H8 G 8 30.106 -3.523 0.766 86 H1 G 8 H1 G 8 28.851 -1.276 6.644 87 1H2 G 8 H21 G 8 28.701 -4.576 7.502 88 2H2 G 8 H22 G 8 28.569 -2.912 8.047 89 1H5* G 9 H5' G 9 25.474 -6.949 3.661 90 2H5* G 9 H5'' G 9 24.082 -7.504 2.726 91 H4* G 9 H4' G 9 23.298 -5.777 3.839 92 H3* G 9 H3' G 9 24.111 -4.478 1.211 93 H2* G 9 H2' G 9 23.074 -2.556 1.914 94 2HO* G 9 2HO' G 9 22.043 -3.055 4.344 95 H1* G 9 H1' G 9 23.984 -2.856 4.630 96 H8 G 9 H8 G 9 26.014 -3.574 1.666 97 H1 G 9 H1 G 9 26.104 2.597 3.525 98 1H2 G 9 H21 G 9 23.891 1.382 5.940 99 2H2 G 9 H22 G 9 24.742 2.791 5.338 100 1H5* A 10 H5' A 10 19.307 -3.037 -0.372 101 2H5* A 10 H5'' A 10 20.587 -3.018 0.839 102 H4* A 10 H4' A 10 17.859 -4.276 1.058 103 H3* A 10 H3' A 10 19.395 -2.251 2.766 104 H2* A 10 H2' A 10 18.226 -3.032 4.586 105 2HO* A 10 2HO' A 10 16.118 -2.883 3.517 106 H1* A 10 H1' A 10 17.860 -5.669 3.470 107 H8 A 10 H8 A 10 21.349 -5.870 3.630 108 1H6 A 10 H61 A 10 21.840 -7.432 8.242 109 2H6 A 10 H62 A 10 20.785 -7.355 9.648 110 H2 A 10 H2 A 10 17.172 -5.051 8.457 111 1H5* G 11 H5' G 11 18.306 1.689 4.440 112 2H5* G 11 H5'' G 11 19.376 0.271 4.388 113 H4* G 11 H4' G 11 16.987 0.598 6.215 114 H3* G 11 H3' G 11 19.980 0.766 6.766 115 H2* G 11 H2' G 11 19.583 -0.187 8.862 116 2HO* G 11 2HO' G 11 16.845 0.313 8.236 117 H1* G 11 H1' G 11 17.969 -2.234 7.787 118 H8 G 11 H8 G 11 20.381 -1.955 5.132 119 H1 G 11 H1 G 11 22.682 -4.867 10.364 120 1H2 G 11 H21 G 11 21.310 -4.517 12.072 121 2H2 G 11 H22 G 11 19.910 -3.471 11.899 122 1H5* A 12 H5' A 12 21.099 4.108 10.611 123 2H5* A 12 H5'' A 12 22.033 3.130 9.487 124 H4* A 12 H4' A 12 20.871 2.345 12.143 125 H3* A 12 H3' A 12 23.443 1.702 10.742 126 H2* A 12 H2' A 12 24.018 0.135 12.188 127 2HO* A 12 2HO' A 12 21.800 1.187 13.564 128 H1* A 12 H1' A 12 21.864 -0.918 11.442 129 H8 A 12 H8 A 12 22.267 1.134 8.561 130 1H6 A 12 H61 A 12 26.589 -2.684 6.236 131 2H6 A 12 H62 A 12 25.466 -1.424 5.753 132 H2 A 12 H2 A 12 26.115 -3.363 10.485 133 1H5* C 13 H5' C 13 25.982 3.172 13.936 134 2H5* C 13 H5'' C 13 27.597 3.545 13.349 135 H4* C 13 H4' C 13 26.948 1.182 14.402 136 H3* C 13 H3' C 13 28.937 1.396 12.113 137 H2* C 13 H2' C 13 29.048 -0.922 12.185 138 2HO* C 13 2HO' C 13 28.629 -1.649 14.266 139 H1* C 13 H1' C 13 26.089 -1.089 11.911 140 1H4 C 13 H41 C 13 27.100 1.694 6.173 141 2H4 C 13 H42 C 13 28.469 0.614 6.051 142 H5 C 13 H5 C 13 25.538 1.602 8.068 143 H6 C 13 H6 C 13 25.405 1.178 10.344 144 1H5* U 14 H5' U 14 30.723 -1.365 14.506 145 2H5* U 14 H5'' U 14 32.472 -1.210 14.727 146 H4* U 14 H4' U 14 31.856 -3.288 13.643 147 H3* U 14 H3' U 14 33.396 -1.470 11.739 148 H2* U 14 H2' U 14 33.376 -3.412 10.297 149 2HO* U 14 2HO' U 14 33.057 -4.849 12.472 150 H1* U 14 H1' U 14 30.775 -3.607 10.379 151 H3 U 14 H3 U 14 31.773 -1.187 6.576 152 H5 U 14 H5 U 14 30.842 1.627 9.538 153 H6 U 14 H6 U 14 30.905 -0.113 11.101 154 1H5* C 15 H5' C 15 35.217 -4.998 11.591 155 2H5* C 15 H5'' C 15 36.981 -4.935 11.599 156 H4* C 15 H4' C 15 36.159 -6.081 9.639 157 H3* C 15 H3' C 15 37.543 -3.443 9.061 158 H2* C 15 H2' C 15 37.383 -4.000 6.779 159 2HO* C 15 2HO' C 15 37.427 -6.399 7.001 160 H1* C 15 H1' C 15 34.723 -4.428 6.906 161 1H4 C 15 H41 C 15 34.627 2.104 7.562 162 2H4 C 15 H42 C 15 35.203 1.784 5.931 163 H5 C 15 H5 C 15 34.471 0.296 9.242 164 H6 C 15 H6 C 15 34.611 -2.058 9.532 165 1H5* A 16 H5' A 16 39.546 -5.499 6.745 166 2H5* A 16 H5'' A 16 41.304 -5.362 6.867 167 H4* A 16 H4' A 16 40.421 -4.557 4.700 168 H3* A 16 H3' A 16 41.591 -2.346 6.423 169 H2* A 16 H2' A 16 41.366 -1.007 4.651 170 2HO* A 16 2HO' A 16 40.923 -1.713 2.468 171 H1* A 16 H1' A 16 38.933 -2.488 3.920 172 H8 A 16 H8 A 16 39.102 -1.090 6.701 173 1H6 A 16 H61 A 16 38.101 3.732 5.980 174 2H6 A 16 H62 A 16 38.189 4.706 4.518 175 H2 A 16 H2 A 16 39.427 1.891 1.242 176 1H5* G 17 H5' G 17 43.817 -2.246 3.068 177 2H5* G 17 H5'' G 17 45.460 -1.751 3.423 178 H4* G 17 H4' G 17 44.546 -0.227 1.914 179 H3* G 17 H3' G 17 44.688 1.143 4.626 180 H2* G 17 H2' G 17 44.416 2.988 3.482 181 2HO* G 17 2HO' G 17 45.352 3.178 1.528 182 H1* G 17 H1' G 17 42.385 1.877 1.756 183 H8 G 17 H8 G 17 42.589 1.396 5.349 184 H1 G 17 H1 G 17 40.781 7.395 4.081 185 1H2 G 17 H21 G 17 41.626 6.680 0.883 186 2H2 G 17 H22 G 17 41.131 7.855 2.086 187 1H5* A 18 H5' A 18 49.990 2.008 3.800 188 2H5* A 18 H5'' A 18 49.681 3.282 4.960 189 H4* A 18 H4' A 18 50.957 3.623 2.762 190 H3* A 18 H3' A 18 50.322 5.561 4.416 191 H2* A 18 H2' A 18 48.164 5.525 3.789 192 2HO* A 18 2HO' A 18 49.045 7.651 2.074 193 H1* A 18 H1' A 18 48.931 5.827 0.884 194 H8 A 18 H8 A 18 46.258 4.870 3.424 195 1H6 A 18 H61 A 18 42.325 5.458 -1.401 196 2H6 A 18 H62 A 18 42.450 5.230 0.342 197 H2 A 18 H2 A 18 46.463 5.484 -2.974 198 1H5* A 19 H5' A 19 51.503 9.396 0.195 199 2H5* A 19 H5'' A 19 50.005 9.618 1.123 200 H4* A 19 H4' A 19 50.232 8.010 -1.414 201 H3* A 19 H3' A 19 49.789 10.855 -1.196 202 H2* A 19 H2' A 19 47.712 10.911 -1.781 203 2HO* A 19 2HO' A 19 48.769 10.358 -4.011 204 H1* A 19 H1' A 19 47.457 7.965 -2.250 205 H8 A 19 H8 A 19 46.128 8.012 0.856 206 1H6 A 19 H61 A 19 41.546 9.649 0.240 207 2H6 A 19 H62 A 19 40.781 10.551 -1.058 208 H2 A 19 H2 A 19 43.972 11.699 -3.933 209 1H5* G 20 H5' G 20 50.910 14.330 -2.323 210 2H5* G 20 H5'' G 20 50.212 13.130 -1.233 211 H4* G 20 H4' G 20 48.718 14.770 -3.285 212 H3* G 20 H3' G 20 48.550 14.747 -0.238 213 H2* G 20 H2' G 20 46.293 15.507 -0.531 214 2HO* G 20 2HO' G 20 46.388 16.717 -2.527 215 H1* G 20 H1' G 20 45.758 13.413 -2.225 216 H8 G 20 H8 G 20 48.450 12.184 0.110 217 H1 G 20 H1 G 20 42.725 12.360 2.919 218 1H2 G 20 H21 G 20 41.817 14.455 0.404 219 2H2 G 20 H22 G 20 41.394 13.645 1.897 220 1H5* C 21 H5' C 21 46.830 18.218 -1.065 221 2H5* C 21 H5'' C 21 47.421 19.624 -0.155 222 H4* C 21 H4' C 21 45.050 19.368 0.245 223 H3* C 21 H3' C 21 46.753 18.591 2.657 224 H2* C 21 H2' C 21 44.776 18.345 3.863 225 2HO* C 21 2HO' C 21 42.739 18.895 3.050 226 H1* C 21 H1' C 21 43.576 16.809 1.865 227 1H4 C 21 H41 C 21 47.684 12.464 4.514 228 2H4 C 21 H42 C 21 46.298 12.491 5.589 229 H5 C 21 H5 C 21 48.001 14.049 2.758 230 H6 C 21 H6 C 21 47.012 15.863 1.580 231 1H5* C 22 H5' C 22 44.840 20.789 5.018 232 2H5* C 22 H5'' C 22 45.948 22.011 5.674 233 H4* C 22 H4' C 22 45.223 20.757 7.517 234 H3* C 22 H3' C 22 47.954 19.639 6.742 235 H2* C 22 H2' C 22 47.859 18.442 8.633 236 2HO* C 22 2HO' C 22 47.180 19.484 10.417 237 H1* C 22 H1' C 22 44.940 18.152 8.482 238 1H4 C 22 H41 C 22 48.876 13.086 6.650 239 2H4 C 22 H42 C 22 48.088 12.573 8.123 240 H5 C 22 H5 C 22 48.572 15.261 5.674 241 H6 C 22 H6 C 22 47.330 17.352 5.867 242 H3T C 22 H3T C 22 47.315 21.563 8.688 Start of MODEL 9 1 1H5* G 1 H5' G 1 40.162 -1.707 16.972 2 2H5* G 1 H5'' G 1 39.060 -2.618 15.943 3 H4* G 1 H4' G 1 38.071 -0.545 16.575 4 H3* G 1 H3' G 1 38.802 -0.477 13.618 5 H2* G 1 H2' G 1 37.571 1.437 13.598 6 2HO* G 1 2HO' G 1 35.754 1.551 14.751 7 H1* G 1 H1' G 1 38.306 2.228 16.212 8 H8 G 1 H8 G 1 40.574 1.472 13.254 9 H1 G 1 H1 G 1 38.492 7.510 13.572 10 1H2 G 1 H21 G 1 36.271 6.220 15.868 11 2H2 G 1 H22 G 1 36.784 7.617 14.945 12 H5T G 1 H5T G 1 41.266 -2.625 15.206 13 1H5* G 2 H5' G 2 34.289 -0.237 14.637 14 2H5* G 2 H5'' G 2 33.317 -0.515 13.197 15 H4* G 2 H4' G 2 32.703 1.477 14.444 16 H3* G 2 H3' G 2 33.590 2.108 11.606 17 H2* G 2 H2' G 2 32.693 4.292 12.096 18 2HO* G 2 2HO' G 2 30.935 3.950 13.488 19 H1* G 2 H1' G 2 34.082 4.465 14.447 20 H8 G 2 H8 G 2 36.454 2.577 12.432 21 H1 G 2 H1 G 2 36.219 8.688 10.634 22 1H2 G 2 H21 G 2 33.338 8.812 12.458 23 2H2 G 2 H22 G 2 34.495 9.664 11.442 24 1H5* C 3 H5' C 3 29.694 3.250 11.756 25 2H5* C 3 H5'' C 3 28.728 2.902 10.321 26 H4* C 3 H4' C 3 28.832 5.276 10.688 27 H3* C 3 H3' C 3 30.470 4.483 8.249 28 H2* C 3 H2' C 3 30.696 6.804 7.838 29 2HO* C 3 2HO' C 3 28.587 7.503 8.762 30 H1* C 3 H1' C 3 31.561 7.273 10.433 31 1H4 C 3 H41 C 3 36.751 4.118 7.789 32 2H4 C 3 H42 C 3 36.868 5.794 7.257 33 H5 C 3 H5 C 3 34.849 3.340 9.112 34 H6 C 3 H6 C 3 32.733 3.940 9.968 35 1H5* C 4 H5' C 4 28.474 7.176 6.528 36 2H5* C 4 H5'' C 4 27.331 6.552 5.332 37 H4* C 4 H4' C 4 28.607 8.325 4.370 38 H3* C 4 H3' C 4 29.124 5.580 3.192 39 H2* C 4 H2' C 4 30.571 6.582 1.656 40 2HO* C 4 2HO' C 4 29.875 8.648 1.204 41 H1* C 4 H1' C 4 32.058 7.883 3.589 42 1H4 C 4 H41 C 4 33.462 1.585 5.146 43 2H4 C 4 H42 C 4 34.156 1.697 3.536 44 H5 C 4 H5 C 4 32.325 3.388 6.209 45 H6 C 4 H6 C 4 31.404 5.560 5.946 46 1H5* U 5 H5' U 5 27.843 7.753 -0.031 47 2H5* U 5 H5'' U 5 26.614 6.979 -1.042 48 H4* U 5 H4' U 5 28.621 7.380 -2.310 49 H3* U 5 H3' U 5 28.242 4.391 -1.795 50 H2* U 5 H2' U 5 29.998 4.103 -3.311 51 2HO* U 5 2HO' U 5 31.136 5.919 -4.223 52 H1* U 5 H1' U 5 31.630 5.811 -1.845 53 H3 U 5 H3 U 5 32.377 1.307 -0.800 54 H5 U 5 H5 U 5 30.041 2.944 2.247 55 H6 U 5 H6 U 5 29.625 4.779 0.840 56 1H5* G 6 H5' G 6 28.520 4.452 -5.637 57 2H5* G 6 H5'' G 6 27.266 3.544 -6.483 58 H4* G 6 H4' G 6 29.418 2.750 -7.073 59 H3* G 6 H3' G 6 27.947 0.687 -5.380 60 H2* G 6 H2' G 6 29.673 -0.783 -6.084 61 2HO* G 6 2HO' G 6 29.965 0.801 -8.159 62 H1* G 6 H1' G 6 31.610 0.924 -5.333 63 H8 G 6 H8 G 6 29.010 1.635 -2.718 64 H1 G 6 H1 G 6 32.119 -3.946 -2.044 65 1H2 G 6 H21 G 6 33.102 -3.341 -5.314 66 2H2 G 6 H22 G 6 33.089 -4.472 -3.969 67 1H5* A 7 H5' A 7 28.994 -1.041 -8.988 68 2H5* A 7 H5'' A 7 27.725 -2.080 -9.639 69 H4* A 7 H4' A 7 29.848 -3.241 -9.500 70 H3* A 7 H3' A 7 27.722 -4.364 -7.641 71 H2* A 7 H2' A 7 29.199 -6.106 -7.260 72 2HO* A 7 2HO' A 7 30.203 -5.600 -9.665 73 H1* A 7 H1' A 7 31.408 -4.427 -6.893 74 H8 A 7 H8 A 7 29.097 -2.481 -5.106 75 1H6 A 7 H61 A 7 28.757 -4.882 -0.981 76 2H6 A 7 H62 A 7 29.175 -6.492 -0.428 77 H2 A 7 H2 A 7 30.728 -8.616 -4.140 78 1H5* G 8 H5' G 8 28.868 -7.301 -10.178 79 2H5* G 8 H5'' G 8 27.555 -8.262 -10.849 80 H4* G 8 H4' G 8 29.254 -9.609 -9.755 81 H3* G 8 H3' G 8 26.540 -9.732 -8.380 82 H2* G 8 H2' G 8 27.488 -11.555 -7.152 83 2HO* G 8 2HO' G 8 28.946 -12.032 -9.209 84 H1* G 8 H1' G 8 29.805 -10.083 -6.610 85 H8 G 8 H8 G 8 27.230 -7.503 -6.334 86 H1 G 8 H1 G 8 27.942 -11.239 -1.173 87 1H2 G 8 H21 G 8 29.082 -13.603 -3.359 88 2H2 G 8 H22 G 8 28.676 -13.194 -1.699 89 1H5* G 9 H5' G 9 25.993 -13.223 -8.586 90 2H5* G 9 H5'' G 9 24.364 -13.606 -9.173 91 H4* G 9 H4' G 9 24.446 -14.039 -6.837 92 H3* G 9 H3' G 9 22.960 -11.429 -7.260 93 H2* G 9 H2' G 9 22.374 -11.612 -4.934 94 2HO* G 9 2HO' G 9 22.648 -13.499 -3.814 95 H1* G 9 H1' G 9 25.016 -12.087 -4.279 96 H8 G 9 H8 G 9 24.314 -9.952 -7.174 97 H1 G 9 H1 G 9 22.658 -7.034 -1.766 98 1H2 G 9 H21 G 9 23.404 -10.088 -0.322 99 2H2 G 9 H22 G 9 22.729 -8.488 -0.113 100 1H5* A 10 H5' A 10 18.608 -10.804 -8.065 101 2H5* A 10 H5'' A 10 19.233 -9.656 -6.884 102 H4* A 10 H4' A 10 17.209 -10.728 -6.129 103 H3* A 10 H3' A 10 19.589 -11.429 -4.364 104 H2* A 10 H2' A 10 17.964 -12.417 -2.927 105 2HO* A 10 2HO' A 10 16.104 -11.096 -3.111 106 H1* A 10 H1' A 10 16.745 -13.761 -5.025 107 H8 A 10 H8 A 10 20.489 -13.756 -5.765 108 1H6 A 10 H61 A 10 20.363 -19.080 -2.470 109 2H6 A 10 H62 A 10 21.285 -18.174 -3.663 110 H2 A 10 H2 A 10 16.795 -16.695 -1.396 111 1H5* G 11 H5' G 11 18.906 -9.191 0.373 112 2H5* G 11 H5'' G 11 20.060 -10.326 -0.313 113 H4* G 11 H4' G 11 17.499 -10.927 1.107 114 H3* G 11 H3' G 11 20.395 -11.698 1.498 115 H2* G 11 H2' G 11 19.891 -13.887 1.992 116 2HO* G 11 2HO' G 11 17.872 -13.287 3.240 117 H1* G 11 H1' G 11 18.088 -14.405 0.054 118 H8 G 11 H8 G 11 20.156 -12.094 -1.809 119 H1 G 11 H1 G 11 22.947 -17.820 -1.006 120 1H2 G 11 H21 G 11 21.865 -18.973 0.533 121 2H2 G 11 H22 G 11 20.514 -18.270 1.398 122 1H5* A 12 H5' A 12 19.601 -13.877 4.746 123 2H5* A 12 H5'' A 12 20.667 -13.361 6.068 124 H4* A 12 H4' A 12 21.231 -15.622 5.368 125 H3* A 12 H3' A 12 23.307 -13.846 4.186 126 H2* A 12 H2' A 12 24.690 -15.512 3.828 127 2HO* A 12 2HO' A 12 23.786 -17.079 5.509 128 H1* A 12 H1' A 12 22.618 -16.389 2.495 129 H8 A 12 H8 A 12 22.592 -12.687 2.522 130 1H6 A 12 H61 A 12 25.951 -12.562 -2.544 131 2H6 A 12 H62 A 12 24.585 -11.751 -1.787 132 H2 A 12 H2 A 12 26.787 -16.161 -0.155 133 1H5* C 13 H5' C 13 27.403 -15.878 7.097 134 2H5* C 13 H5'' C 13 27.631 -14.197 6.565 135 H4* C 13 H4' C 13 28.151 -16.743 5.168 136 H3* C 13 H3' C 13 29.094 -13.929 4.443 137 H2* C 13 H2' C 13 29.908 -14.942 2.446 138 2HO* C 13 2HO' C 13 30.310 -17.129 2.751 139 H1* C 13 H1' C 13 27.105 -15.909 2.097 140 1H4 C 13 H41 C 13 25.411 -9.897 1.213 141 2H4 C 13 H42 C 13 26.604 -9.907 -0.072 142 H5 C 13 H5 C 13 25.056 -11.683 2.647 143 H6 C 13 H6 C 13 25.810 -13.590 3.594 144 1H5* U 14 H5' U 14 32.172 -15.419 2.981 145 2H5* U 14 H5'' U 14 33.697 -14.635 3.396 146 H4* U 14 H4' U 14 32.976 -14.594 1.006 147 H3* U 14 H3' U 14 33.491 -11.826 2.190 148 H2* U 14 H2' U 14 33.439 -11.183 -0.107 149 2HO* U 14 2HO' U 14 34.037 -13.757 -0.614 150 H1* U 14 H1' U 14 31.164 -12.613 -0.571 151 H3 U 14 H3 U 14 29.994 -8.238 -0.850 152 H5 U 14 H5 U 14 29.877 -9.107 3.266 153 H6 U 14 H6 U 14 30.932 -11.190 2.778 154 1H5* C 15 H5' C 15 35.903 -12.403 -1.216 155 2H5* C 15 H5'' C 15 37.418 -11.515 -1.123 156 H4* C 15 H4' C 15 36.128 -10.993 -3.105 157 H3* C 15 H3' C 15 36.529 -8.604 -1.269 158 H2* C 15 H2' C 15 35.768 -7.352 -3.116 159 2HO* C 15 2HO' C 15 36.666 -8.948 -4.775 160 H1* C 15 H1' C 15 33.592 -9.044 -3.532 161 1H4 C 15 H41 C 15 31.681 -5.322 1.550 162 2H4 C 15 H42 C 15 31.569 -4.233 0.178 163 H5 C 15 H5 C 15 32.631 -7.515 1.417 164 H6 C 15 H6 C 15 33.556 -9.165 -0.050 165 1H5* A 16 H5' A 16 37.990 -7.563 -4.705 166 2H5* A 16 H5'' A 16 39.536 -6.737 -4.771 167 H4* A 16 H4' A 16 37.503 -5.527 -5.765 168 H3* A 16 H3' A 16 39.416 -4.157 -3.861 169 H2* A 16 H2' A 16 37.902 -2.634 -3.373 170 2HO* A 16 2HO' A 16 38.047 -1.667 -5.552 171 H1* A 16 H1' A 16 35.626 -4.034 -4.550 172 H8 A 16 H8 A 16 36.519 -4.763 -1.664 173 1H6 A 16 H61 A 16 33.749 -1.881 1.346 174 2H6 A 16 H62 A 16 32.905 -0.382 1.000 175 H2 A 16 H2 A 16 33.795 0.641 -3.277 176 1H5* G 17 H5' G 17 41.102 0.104 -5.448 177 2H5* G 17 H5'' G 17 40.692 -0.874 -4.026 178 H4* G 17 H4' G 17 38.667 0.838 -5.477 179 H3* G 17 H3' G 17 40.607 1.577 -3.273 180 H2* G 17 H2' G 17 38.996 2.117 -1.910 181 2HO* G 17 2HO' G 17 38.522 3.850 -3.843 182 H1* G 17 H1' G 17 36.738 1.156 -3.626 183 H8 G 17 H8 G 17 38.628 -0.820 -1.216 184 H1 G 17 H1 G 17 34.378 2.882 1.781 185 1H2 G 17 H21 G 17 34.366 4.593 -1.180 186 2H2 G 17 H22 G 17 33.860 4.519 0.506 187 1H5* A 18 H5' A 18 42.407 6.146 -4.704 188 2H5* A 18 H5'' A 18 43.496 5.123 -3.774 189 H4* A 18 H4' A 18 43.157 7.207 -2.720 190 H3* A 18 H3' A 18 43.135 4.991 -1.092 191 H2* A 18 H2' A 18 40.894 4.826 -1.373 192 2HO* A 18 2HO' A 18 41.907 5.634 1.059 193 H1* A 18 H1' A 18 40.803 7.755 -0.611 194 H8 A 18 H8 A 18 38.896 4.672 -1.003 195 1H6 A 18 H61 A 18 34.371 6.630 -0.390 196 2H6 A 18 H62 A 18 33.821 8.293 -0.492 197 H2 A 18 H2 A 18 37.353 10.881 -1.178 198 1H5* A 19 H5' A 19 45.339 9.324 2.385 199 2H5* A 19 H5'' A 19 43.992 8.256 2.707 200 H4* A 19 H4' A 19 44.135 10.062 0.299 201 H3* A 19 H3' A 19 44.133 11.450 2.478 202 H2* A 19 H2' A 19 42.513 9.719 3.522 203 2HO* A 19 2HO' A 19 40.674 11.705 3.032 204 H1* A 19 H1' A 19 40.717 10.459 1.221 205 H8 A 19 H8 A 19 41.895 7.168 2.884 206 1H6 A 19 H61 A 19 37.548 5.373 4.167 207 2H6 A 19 H62 A 19 35.917 6.016 4.041 208 H2 A 19 H2 A 19 36.192 10.023 2.169 209 1H5* G 20 H5' G 20 40.992 15.649 2.942 210 2H5* G 20 H5'' G 20 41.441 14.191 3.839 211 H4* G 20 H4' G 20 38.802 14.676 2.430 212 H3* G 20 H3' G 20 39.375 14.297 5.416 213 H2* G 20 H2' G 20 37.107 13.643 5.547 214 2HO* G 20 2HO' G 20 36.338 15.202 3.825 215 H1* G 20 H1' G 20 37.506 12.046 3.176 216 H8 G 20 H8 G 20 40.384 11.598 5.540 217 H1 G 20 H1 G 20 35.328 7.972 6.849 218 1H2 G 20 H21 G 20 33.500 10.514 5.497 219 2H2 G 20 H22 G 20 33.516 9.052 6.475 220 1H5* C 21 H5' C 21 35.867 16.341 5.830 221 2H5* C 21 H5'' C 21 35.966 17.448 7.207 222 H4* C 21 H4' C 21 34.221 15.875 7.571 223 H3* C 21 H3' C 21 36.548 15.223 9.421 224 H2* C 21 H2' C 21 35.011 13.795 10.510 225 2HO* C 21 2HO' C 21 32.994 14.988 10.243 226 H1* C 21 H1' C 21 34.176 12.719 8.068 227 1H4 C 21 H41 C 21 39.855 9.628 8.877 228 2H4 C 21 H42 C 21 38.641 8.593 9.613 229 H5 C 21 H5 C 21 39.447 11.925 8.325 230 H6 C 21 H6 C 21 37.722 13.563 7.958 231 1H5* C 22 H5' C 22 33.938 15.515 12.234 232 2H5* C 22 H5'' C 22 34.522 16.520 13.567 233 H4* C 22 H4' C 22 34.068 14.337 14.400 234 H3* C 22 H3' C 22 37.076 14.684 14.148 235 H2* C 22 H2' C 22 37.259 12.737 15.296 236 2HO* C 22 2HO' C 22 35.361 11.710 16.333 237 H1* C 22 H1' C 22 34.824 11.646 14.052 238 1H4 C 22 H41 C 22 40.778 9.825 11.647 239 2H4 C 22 H42 C 22 40.095 8.377 12.355 240 H5 C 22 H5 C 22 39.675 11.935 11.652 241 H6 C 22 H6 C 22 37.651 13.122 12.329 242 H3T C 22 H3T C 22 36.812 15.237 16.381
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