NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
431783 | 2jr4 | 15319 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jr4 save_distance_constraint_statistics_1 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 1 _Distance_constraint_stats_list.Constraint_count 562 _Distance_constraint_stats_list.Viol_count 1285 _Distance_constraint_stats_list.Viol_total 369.177 _Distance_constraint_stats_list.Viol_max 0.123 _Distance_constraint_stats_list.Viol_rms 0.0154 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0054 _Distance_constraint_stats_list.Viol_average_violations_only 0.0261 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 C 3.013 0.068 1 0 "[ . 1 ]" 1 2 C 7.144 0.076 11 0 "[ . 1 ]" 1 3 U 9.184 0.123 2 0 "[ . 1 ]" 1 4 C 10.689 0.123 2 0 "[ . 1 ]" 1 5 C 4.820 0.080 11 0 "[ . 1 ]" 1 6 C 0.014 0.006 6 0 "[ . 1 ]" 1 7 U 0.014 0.006 6 0 "[ . 1 ]" 1 8 U 0.080 0.014 6 0 "[ . 1 ]" 1 9 A 0.048 0.011 3 0 "[ . 1 ]" 1 10 C 0.049 0.011 3 0 "[ . 1 ]" 1 11 A 0.012 0.005 4 0 "[ . 1 ]" 1 12 A 0.005 0.002 2 0 "[ . 1 ]" 1 13 G 3.549 0.088 3 0 "[ . 1 ]" 1 14 G 6.678 0.105 7 0 "[ . 1 ]" 1 15 A 8.101 0.122 2 0 "[ . 1 ]" 1 16 G 5.279 0.082 6 0 "[ . 1 ]" 1 17 G 3.276 0.070 2 0 "[ . 1 ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 1 C H1' 1 1 C H2' 2.805 2.705 2.905 2.787 2.786 2.789 . 0 0 "[ . 1 ]" 1 2 1 1 C H1' 1 1 C H3' 3.857 3.757 3.957 3.858 3.856 3.859 . 0 0 "[ . 1 ]" 1 3 1 1 C H1' 1 1 C H4' 3.398 3.298 3.498 3.432 3.429 3.434 . 0 0 "[ . 1 ]" 1 4 1 1 C H1' 1 1 C H5' 4.577 4.477 4.677 4.567 4.564 4.568 . 0 0 "[ . 1 ]" 1 5 1 1 C H1' 1 1 C H6 3.520 3.420 3.620 3.538 3.537 3.539 . 0 0 "[ . 1 ]" 1 6 1 1 C H1' 1 1 C HO2' 2.989 2.889 3.089 3.023 3.020 3.024 . 0 0 "[ . 1 ]" 1 7 1 1 C H1' 1 2 C H5 4.979 4.879 5.079 5.079 5.072 5.082 0.003 1 0 "[ . 1 ]" 1 8 1 1 C H1' 1 2 C H5' 4.676 4.576 4.776 4.777 4.775 4.778 0.002 3 0 "[ . 1 ]" 1 9 1 1 C H1' 1 2 C H6 4.297 4.197 4.397 4.461 4.459 4.463 0.066 6 0 "[ . 1 ]" 1 10 1 1 C H1' 1 17 G H21 4.317 4.217 4.417 4.420 4.417 4.428 0.011 11 0 "[ . 1 ]" 1 11 1 1 C H2' 1 1 C H3' 2.425 2.325 2.525 2.409 2.408 2.410 . 0 0 "[ . 1 ]" 1 12 1 1 C H2' 1 1 C H4' 3.813 3.713 3.913 3.817 3.816 3.819 . 0 0 "[ . 1 ]" 1 13 1 1 C H2' 1 1 C H6 3.999 3.899 4.099 3.919 3.916 3.922 . 0 0 "[ . 1 ]" 1 14 1 1 C H2' 1 1 C HO2' 2.192 2.092 2.292 2.124 2.123 2.126 . 0 0 "[ . 1 ]" 1 15 1 1 C H2' 1 2 C H1' 4.193 4.093 4.293 4.250 4.242 4.257 . 0 0 "[ . 1 ]" 1 16 1 1 C H2' 1 2 C H3' 4.263 4.163 4.363 4.318 4.315 4.321 . 0 0 "[ . 1 ]" 1 17 1 1 C H2' 1 2 C H4' 4.441 4.341 4.541 4.517 4.512 4.522 . 0 0 "[ . 1 ]" 1 18 1 1 C H2' 1 2 C H5 3.089 2.989 3.189 3.149 3.141 3.157 . 0 0 "[ . 1 ]" 1 19 1 1 C H2' 1 2 C H5' 2.890 2.790 2.990 2.947 2.941 2.951 . 0 0 "[ . 1 ]" 1 20 1 1 C H2' 1 2 C H5'' 4.268 4.168 4.368 4.362 4.358 4.364 . 0 0 "[ . 1 ]" 1 21 1 1 C H2' 1 2 C H6 1.583 . 1.683 1.749 1.747 1.751 0.068 1 0 "[ . 1 ]" 1 22 1 1 C H2' 1 17 G H21 4.667 4.567 4.767 4.624 4.615 4.630 . 0 0 "[ . 1 ]" 1 23 1 1 C H3' 1 1 C H4' 3.007 2.907 3.107 3.004 3.003 3.005 . 0 0 "[ . 1 ]" 1 24 1 1 C H3' 1 1 C H5 4.769 4.669 4.869 4.640 4.638 4.643 0.031 4 0 "[ . 1 ]" 1 25 1 1 C H3' 1 1 C H5' 3.687 3.587 3.787 3.666 3.664 3.667 . 0 0 "[ . 1 ]" 1 26 1 1 C H3' 1 1 C H5'' 3.085 2.985 3.185 3.086 3.082 3.091 . 0 0 "[ . 1 ]" 1 27 1 1 C H3' 1 1 C H6 2.988 2.888 3.088 2.874 2.872 2.876 0.016 4 0 "[ . 1 ]" 1 28 1 1 C H3' 1 1 C HO2' 3.993 3.893 4.093 3.880 3.878 3.882 0.015 2 0 "[ . 1 ]" 1 29 1 1 C H3' 1 2 C H5 3.313 3.213 3.413 3.329 3.321 3.336 . 0 0 "[ . 1 ]" 1 30 1 1 C H3' 1 2 C H5' 3.958 3.858 4.058 3.996 3.984 4.004 . 0 0 "[ . 1 ]" 1 31 1 1 C H3' 1 2 C H5'' 4.908 4.808 5.008 4.978 4.975 4.981 . 0 0 "[ . 1 ]" 1 32 1 1 C H3' 1 2 C H6 3.104 3.004 3.204 3.127 3.117 3.133 . 0 0 "[ . 1 ]" 1 33 1 1 C H4' 1 1 C H5' 2.534 2.434 2.634 2.534 2.532 2.536 . 0 0 "[ . 1 ]" 1 34 1 1 C H4' 1 1 C H5'' 2.370 2.270 2.470 2.328 2.326 2.330 . 0 0 "[ . 1 ]" 1 35 1 1 C H4' 1 1 C H6 4.053 3.953 4.153 3.986 3.985 3.987 . 0 0 "[ . 1 ]" 1 36 1 1 C H4' 1 1 C HO2' 3.778 3.678 3.878 3.742 3.740 3.745 . 0 0 "[ . 1 ]" 1 37 1 1 C H4' 1 2 C H5' 4.167 4.067 4.267 4.288 4.282 4.291 0.024 3 0 "[ . 1 ]" 1 38 1 1 C H41 1 1 C H42 1.784 . 1.884 1.750 1.749 1.751 . 0 0 "[ . 1 ]" 1 39 1 1 C H41 1 1 C H5 3.708 3.608 3.808 3.676 3.675 3.678 . 0 0 "[ . 1 ]" 1 40 1 1 C H41 1 2 C H41 3.264 3.164 3.364 3.200 3.197 3.205 . 0 0 "[ . 1 ]" 1 41 1 1 C H41 1 2 C H42 3.066 2.966 3.166 3.027 3.022 3.033 . 0 0 "[ . 1 ]" 1 42 1 1 C H41 1 2 C H5 4.393 4.293 4.493 4.431 4.425 4.439 . 0 0 "[ . 1 ]" 1 43 1 1 C H41 1 16 G H1 4.747 4.647 4.847 4.779 4.773 4.789 . 0 0 "[ . 1 ]" 1 44 1 1 C H41 1 17 G H1 2.478 2.378 2.578 2.550 2.540 2.559 . 0 0 "[ . 1 ]" 1 45 1 1 C H41 1 17 G H21 4.566 4.466 4.666 4.658 4.647 4.669 0.003 10 0 "[ . 1 ]" 1 46 1 1 C H42 1 1 C H5 2.426 2.326 2.526 2.416 2.415 2.418 . 0 0 "[ . 1 ]" 1 47 1 1 C H42 1 1 C H6 4.651 4.551 4.751 4.630 4.630 4.632 . 0 0 "[ . 1 ]" 1 48 1 1 C H42 1 2 C H41 4.124 4.024 4.224 4.002 3.999 4.005 0.025 5 0 "[ . 1 ]" 1 49 1 1 C H42 1 2 C H42 3.221 3.121 3.321 3.122 3.119 3.125 0.002 3 0 "[ . 1 ]" 1 50 1 1 C H42 1 2 C H5 4.475 4.375 4.575 4.448 4.443 4.458 . 0 0 "[ . 1 ]" 1 51 1 1 C H42 1 17 G H1 4.023 3.923 4.123 4.096 4.087 4.103 . 0 0 "[ . 1 ]" 1 52 1 1 C H5 1 1 C H6 2.457 2.357 2.557 2.441 2.440 2.442 . 0 0 "[ . 1 ]" 1 53 1 1 C H5 1 2 C H42 4.046 3.946 4.146 3.942 3.938 3.944 0.008 2 0 "[ . 1 ]" 1 54 1 1 C H5 1 2 C H5 3.995 3.895 4.095 3.948 3.945 3.953 . 0 0 "[ . 1 ]" 1 55 1 1 C H5' 1 1 C H5'' 1.776 . 1.876 1.773 1.772 1.774 . 0 0 "[ . 1 ]" 1 56 1 1 C H5' 1 1 C H6 3.241 3.141 3.341 3.140 3.136 3.144 0.005 7 0 "[ . 1 ]" 1 57 1 1 C H5'' 1 1 C H6 4.055 3.955 4.155 3.944 3.941 3.947 0.014 9 0 "[ . 1 ]" 1 58 1 1 C H6 1 2 C H5 4.001 3.901 4.101 4.017 4.015 4.019 . 0 0 "[ . 1 ]" 1 59 1 1 C H6 1 2 C H6 4.951 4.851 5.051 4.961 4.956 4.967 . 0 0 "[ . 1 ]" 1 60 1 1 C HO2' 1 2 C H1' 4.151 4.051 4.251 4.263 4.260 4.264 0.013 2 0 "[ . 1 ]" 1 61 1 1 C HO2' 1 2 C H3' 4.845 4.745 4.945 4.863 4.857 4.871 . 0 0 "[ . 1 ]" 1 62 1 1 C HO2' 1 2 C H4' 3.522 3.422 3.622 3.634 3.632 3.636 0.014 1 0 "[ . 1 ]" 1 63 1 1 C HO2' 1 2 C H5' 1.994 . 2.094 1.978 1.973 1.983 . 0 0 "[ . 1 ]" 1 64 1 1 C HO2' 1 2 C H5'' 3.738 3.638 3.838 3.736 3.732 3.739 . 0 0 "[ . 1 ]" 1 65 1 1 C HO2' 1 2 C H6 3.221 3.121 3.321 3.274 3.265 3.282 . 0 0 "[ . 1 ]" 1 66 1 2 C H1' 1 2 C H2' 2.805 2.705 2.905 2.790 2.790 2.792 . 0 0 "[ . 1 ]" 1 67 1 2 C H1' 1 2 C H3' 3.857 3.757 3.957 3.840 3.839 3.842 . 0 0 "[ . 1 ]" 1 68 1 2 C H1' 1 2 C H4' 3.398 3.298 3.498 3.372 3.370 3.374 . 0 0 "[ . 1 ]" 1 69 1 2 C H1' 1 2 C H5' 4.577 4.477 4.677 4.556 4.554 4.557 . 0 0 "[ . 1 ]" 1 70 1 2 C H1' 1 2 C H6 3.521 3.421 3.621 3.535 3.533 3.536 . 0 0 "[ . 1 ]" 1 71 1 2 C H1' 1 2 C HO2' 2.989 2.889 3.089 2.993 2.979 3.000 . 0 0 "[ . 1 ]" 1 72 1 2 C H1' 1 3 U H5 4.941 4.841 5.041 5.109 5.105 5.117 0.076 11 0 "[ . 1 ]" 1 73 1 2 C H1' 1 3 U H5' 4.677 4.577 4.777 4.775 4.769 4.779 0.002 11 0 "[ . 1 ]" 1 74 1 2 C H1' 1 3 U H6 4.282 4.182 4.382 4.422 4.419 4.424 0.042 7 0 "[ . 1 ]" 1 75 1 2 C H1' 1 16 G H21 4.316 4.216 4.416 4.438 4.433 4.445 0.029 6 0 "[ . 1 ]" 1 76 1 2 C H1' 1 17 G H21 4.373 4.273 4.473 4.283 4.278 4.290 . 0 0 "[ . 1 ]" 1 77 1 2 C H1' 1 17 G H22 4.493 4.393 4.593 4.358 4.356 4.361 0.037 2 0 "[ . 1 ]" 1 78 1 2 C H2' 1 2 C H3' 2.425 2.325 2.525 2.413 2.412 2.414 . 0 0 "[ . 1 ]" 1 79 1 2 C H2' 1 2 C H4' 3.813 3.713 3.913 3.787 3.786 3.789 . 0 0 "[ . 1 ]" 1 80 1 2 C H2' 1 2 C H6 4.000 3.900 4.100 3.913 3.910 3.916 . 0 0 "[ . 1 ]" 1 81 1 2 C H2' 1 2 C HO2' 2.193 2.093 2.293 2.124 2.122 2.125 . 0 0 "[ . 1 ]" 1 82 1 2 C H2' 1 3 U H1' 4.192 4.092 4.292 4.167 4.133 4.192 . 0 0 "[ . 1 ]" 1 83 1 2 C H2' 1 3 U H3' 4.263 4.163 4.363 4.355 4.345 4.365 0.002 11 0 "[ . 1 ]" 1 84 1 2 C H2' 1 3 U H4' 4.441 4.341 4.541 4.447 4.432 4.457 . 0 0 "[ . 1 ]" 1 85 1 2 C H2' 1 3 U H5 3.030 2.930 3.130 3.121 3.115 3.127 . 0 0 "[ . 1 ]" 1 86 1 2 C H2' 1 3 U H5' 2.891 2.791 2.991 3.004 3.000 3.010 0.019 11 0 "[ . 1 ]" 1 87 1 2 C H2' 1 3 U H5'' 4.268 4.168 4.368 4.340 4.335 4.346 . 0 0 "[ . 1 ]" 1 88 1 2 C H2' 1 3 U H6 1.566 . 1.666 1.719 1.714 1.723 0.057 7 0 "[ . 1 ]" 1 89 1 2 C H2' 1 16 G H21 4.666 4.566 4.766 4.741 4.731 4.749 . 0 0 "[ . 1 ]" 1 90 1 2 C H3' 1 2 C H4' 3.007 2.907 3.107 3.013 3.012 3.014 . 0 0 "[ . 1 ]" 1 91 1 2 C H3' 1 2 C H5 4.769 4.669 4.869 4.641 4.638 4.644 0.031 3 0 "[ . 1 ]" 1 92 1 2 C H3' 1 2 C H5' 3.686 3.586 3.786 3.687 3.684 3.689 . 0 0 "[ . 1 ]" 1 93 1 2 C H3' 1 2 C H5'' 3.085 2.985 3.185 3.133 3.131 3.137 . 0 0 "[ . 1 ]" 1 94 1 2 C H3' 1 2 C H6 2.989 2.889 3.089 2.860 2.858 2.862 0.031 11 0 "[ . 1 ]" 1 95 1 2 C H3' 1 2 C HO2' 3.993 3.893 4.093 3.895 3.892 3.903 0.001 8 0 "[ . 1 ]" 1 96 1 2 C H3' 1 3 U H5 3.248 3.148 3.348 3.353 3.348 3.359 0.011 5 0 "[ . 1 ]" 1 97 1 2 C H3' 1 3 U H5' 3.958 3.858 4.058 4.070 4.063 4.075 0.017 5 0 "[ . 1 ]" 1 98 1 2 C H3' 1 3 U H5'' 4.907 4.807 5.007 5.032 5.028 5.038 0.031 11 0 "[ . 1 ]" 1 99 1 2 C H3' 1 3 U H6 3.100 3.000 3.200 3.196 3.184 3.207 0.007 5 0 "[ . 1 ]" 1 100 1 2 C H4' 1 2 C H5' 2.534 2.434 2.634 2.533 2.531 2.534 . 0 0 "[ . 1 ]" 1 101 1 2 C H4' 1 2 C H5'' 2.370 2.270 2.470 2.331 2.329 2.332 . 0 0 "[ . 1 ]" 1 102 1 2 C H4' 1 2 C H6 4.053 3.953 4.153 4.030 4.027 4.033 . 0 0 "[ . 1 ]" 1 103 1 2 C H4' 1 2 C HO2' 3.778 3.678 3.878 3.688 3.683 3.696 . 0 0 "[ . 1 ]" 1 104 1 2 C H4' 1 3 U H5' 4.167 4.067 4.267 4.234 4.219 4.245 . 0 0 "[ . 1 ]" 1 105 1 2 C H41 1 2 C H42 1.784 . 1.884 1.757 1.756 1.758 . 0 0 "[ . 1 ]" 1 106 1 2 C H41 1 2 C H5 3.708 3.608 3.808 3.670 3.669 3.671 . 0 0 "[ . 1 ]" 1 107 1 2 C H41 1 3 U H3 4.568 4.468 4.668 4.691 4.687 4.693 0.025 11 0 "[ . 1 ]" 1 108 1 2 C H41 1 3 U H5 4.454 4.354 4.554 4.519 4.503 4.537 . 0 0 "[ . 1 ]" 1 109 1 2 C H41 1 16 G H1 2.478 2.378 2.578 2.531 2.521 2.542 . 0 0 "[ . 1 ]" 1 110 1 2 C H41 1 16 G H21 4.566 4.466 4.666 4.638 4.630 4.646 . 0 0 "[ . 1 ]" 1 111 1 2 C H41 1 17 G H1 3.888 3.788 3.988 3.789 3.784 3.799 0.004 9 0 "[ . 1 ]" 1 112 1 2 C H42 1 2 C H5 2.425 2.325 2.525 2.403 2.401 2.406 . 0 0 "[ . 1 ]" 1 113 1 2 C H42 1 2 C H6 4.650 4.550 4.750 4.617 4.614 4.620 . 0 0 "[ . 1 ]" 1 114 1 2 C H42 1 3 U H5 4.531 4.431 4.631 4.559 4.543 4.577 . 0 0 "[ . 1 ]" 1 115 1 2 C H42 1 15 A H61 4.676 4.576 4.776 4.512 4.508 4.515 0.068 5 0 "[ . 1 ]" 1 116 1 2 C H42 1 16 G H1 4.023 3.923 4.123 4.083 4.074 4.092 . 0 0 "[ . 1 ]" 1 117 1 2 C H42 1 17 G H1 4.085 3.985 4.185 4.080 4.077 4.090 . 0 0 "[ . 1 ]" 1 118 1 2 C H5 1 2 C H6 2.456 2.356 2.556 2.439 2.438 2.440 . 0 0 "[ . 1 ]" 1 119 1 2 C H5 1 3 U H5 4.017 3.917 4.117 4.049 4.040 4.062 . 0 0 "[ . 1 ]" 1 120 1 2 C H5 1 17 G H1 4.398 4.298 4.498 4.520 4.517 4.523 0.025 8 0 "[ . 1 ]" 1 121 1 2 C H5' 1 2 C H5'' 1.776 . 1.876 1.775 1.773 1.776 . 0 0 "[ . 1 ]" 1 122 1 2 C H5' 1 2 C H6 3.241 3.141 3.341 3.259 3.253 3.263 . 0 0 "[ . 1 ]" 1 123 1 2 C H5'' 1 2 C H6 4.056 3.956 4.156 4.058 4.052 4.064 . 0 0 "[ . 1 ]" 1 124 1 2 C H6 1 3 U H5 3.980 3.880 4.080 4.086 4.081 4.091 0.011 6 0 "[ . 1 ]" 1 125 1 2 C H6 1 3 U H6 4.950 4.850 5.050 4.976 4.971 4.981 . 0 0 "[ . 1 ]" 1 126 1 2 C H6 1 17 G H21 4.961 4.861 5.061 4.983 4.978 4.987 . 0 0 "[ . 1 ]" 1 127 1 2 C HO2' 1 3 U H1' 4.151 4.051 4.251 4.102 4.067 4.126 . 0 0 "[ . 1 ]" 1 128 1 2 C HO2' 1 3 U H3' 4.845 4.745 4.945 4.810 4.791 4.825 . 0 0 "[ . 1 ]" 1 129 1 2 C HO2' 1 3 U H4' 3.521 3.421 3.621 3.462 3.431 3.492 . 0 0 "[ . 1 ]" 1 130 1 2 C HO2' 1 3 U H5' 1.994 . 2.094 1.998 1.986 2.014 . 0 0 "[ . 1 ]" 1 131 1 2 C HO2' 1 3 U H5'' 3.738 3.638 3.838 3.732 3.720 3.750 . 0 0 "[ . 1 ]" 1 132 1 2 C HO2' 1 3 U H6 3.200 3.100 3.300 3.227 3.219 3.234 . 0 0 "[ . 1 ]" 1 133 1 3 U H1' 1 3 U H2' 2.805 2.705 2.905 2.789 2.788 2.790 . 0 0 "[ . 1 ]" 1 134 1 3 U H1' 1 3 U H3 4.622 4.522 4.722 4.604 4.603 4.605 . 0 0 "[ . 1 ]" 1 135 1 3 U H1' 1 3 U H3' 3.857 3.757 3.957 3.846 3.841 3.848 . 0 0 "[ . 1 ]" 1 136 1 3 U H1' 1 3 U H4' 3.397 3.297 3.497 3.373 3.372 3.375 . 0 0 "[ . 1 ]" 1 137 1 3 U H1' 1 3 U H5' 4.576 4.476 4.676 4.586 4.583 4.589 . 0 0 "[ . 1 ]" 1 138 1 3 U H1' 1 3 U H6 3.514 3.414 3.614 3.503 3.500 3.505 . 0 0 "[ . 1 ]" 1 139 1 3 U H1' 1 3 U HO2' 2.990 2.890 3.090 2.853 2.847 2.857 0.043 8 0 "[ . 1 ]" 1 140 1 3 U H1' 1 4 C H5' 4.677 4.577 4.777 4.564 4.560 4.569 0.017 6 0 "[ . 1 ]" 1 141 1 3 U H1' 1 4 C H6 4.320 4.220 4.420 4.493 4.487 4.496 0.076 11 0 "[ . 1 ]" 1 142 1 3 U H1' 1 16 G H22 4.494 4.394 4.594 4.323 4.312 4.329 0.082 6 0 "[ . 1 ]" 1 143 1 3 U H2' 1 3 U H3 4.540 4.440 4.640 4.461 4.458 4.466 . 0 0 "[ . 1 ]" 1 144 1 3 U H2' 1 3 U H3' 2.425 2.325 2.525 2.408 2.406 2.409 . 0 0 "[ . 1 ]" 1 145 1 3 U H2' 1 3 U H4' 3.813 3.713 3.913 3.790 3.786 3.795 . 0 0 "[ . 1 ]" 1 146 1 3 U H2' 1 3 U H6 4.005 3.905 4.105 3.951 3.948 3.953 . 0 0 "[ . 1 ]" 1 147 1 3 U H2' 1 3 U HO2' 2.193 2.093 2.293 2.124 2.122 2.125 . 0 0 "[ . 1 ]" 1 148 1 3 U H2' 1 4 C H1' 4.192 4.092 4.292 4.132 4.128 4.140 . 0 0 "[ . 1 ]" 1 149 1 3 U H2' 1 4 C H3' 4.263 4.163 4.363 4.322 4.317 4.325 . 0 0 "[ . 1 ]" 1 150 1 3 U H2' 1 4 C H4' 4.442 4.342 4.542 4.314 4.311 4.320 0.031 11 0 "[ . 1 ]" 1 151 1 3 U H2' 1 4 C H5' 2.891 2.791 2.991 2.885 2.882 2.888 . 0 0 "[ . 1 ]" 1 152 1 3 U H2' 1 4 C H5'' 4.268 4.168 4.368 4.186 4.183 4.189 . 0 0 "[ . 1 ]" 1 153 1 3 U H2' 1 4 C H6 1.673 . 1.773 1.785 1.782 1.787 0.014 3 0 "[ . 1 ]" 1 154 1 3 U H3 1 3 U H5 4.231 4.131 4.331 4.205 4.204 4.207 . 0 0 "[ . 1 ]" 1 155 1 3 U H3 1 3 U H6 4.817 4.717 4.917 4.772 4.770 4.773 . 0 0 "[ . 1 ]" 1 156 1 3 U H3 1 4 C H6 4.402 4.302 4.502 4.622 4.619 4.625 0.123 2 0 "[ . 1 ]" 1 157 1 3 U H3 1 15 A H2 2.931 2.831 3.031 2.996 2.992 2.998 . 0 0 "[ . 1 ]" 1 158 1 3 U H3 1 15 A H61 2.396 2.296 2.496 2.505 2.501 2.509 0.013 7 0 "[ . 1 ]" 1 159 1 3 U H3 1 15 A H62 3.959 3.859 4.059 4.083 4.079 4.088 0.029 9 0 "[ . 1 ]" 1 160 1 3 U H3' 1 3 U H4' 3.007 2.907 3.107 3.014 3.013 3.015 . 0 0 "[ . 1 ]" 1 161 1 3 U H3' 1 3 U H5 4.723 4.623 4.823 4.700 4.682 4.722 . 0 0 "[ . 1 ]" 1 162 1 3 U H3' 1 3 U H5' 3.686 3.586 3.786 3.730 3.728 3.734 . 0 0 "[ . 1 ]" 1 163 1 3 U H3' 1 3 U H5'' 3.085 2.985 3.185 3.063 3.057 3.070 . 0 0 "[ . 1 ]" 1 164 1 3 U H3' 1 3 U H6 2.992 2.892 3.092 2.945 2.930 2.960 . 0 0 "[ . 1 ]" 1 165 1 3 U H3' 1 3 U HO2' 3.993 3.893 4.093 3.941 3.938 3.943 . 0 0 "[ . 1 ]" 1 166 1 3 U H3' 1 4 C H5' 3.958 3.858 4.058 4.086 4.080 4.091 0.033 10 0 "[ . 1 ]" 1 167 1 3 U H3' 1 4 C H5'' 4.908 4.808 5.008 5.012 5.010 5.014 0.006 4 0 "[ . 1 ]" 1 168 1 3 U H3' 1 4 C H6 3.024 2.924 3.124 3.179 3.175 3.183 0.059 5 0 "[ . 1 ]" 1 169 1 3 U H4' 1 3 U H5' 2.533 2.433 2.633 2.484 2.481 2.488 . 0 0 "[ . 1 ]" 1 170 1 3 U H4' 1 3 U H5'' 2.370 2.270 2.470 2.368 2.365 2.370 . 0 0 "[ . 1 ]" 1 171 1 3 U H4' 1 3 U H6 4.039 3.939 4.139 4.025 4.022 4.027 . 0 0 "[ . 1 ]" 1 172 1 3 U H4' 1 3 U HO2' 3.778 3.678 3.878 3.724 3.714 3.731 . 0 0 "[ . 1 ]" 1 173 1 3 U H4' 1 4 C H5' 4.167 4.067 4.267 4.201 4.189 4.214 . 0 0 "[ . 1 ]" 1 174 1 3 U H5 1 3 U H6 2.416 2.316 2.516 2.403 2.402 2.404 . 0 0 "[ . 1 ]" 1 175 1 3 U H5 1 15 A H61 4.489 4.389 4.589 4.501 4.474 4.526 . 0 0 "[ . 1 ]" 1 176 1 3 U H5' 1 3 U H5'' 1.776 . 1.876 1.774 1.772 1.775 . 0 0 "[ . 1 ]" 1 177 1 3 U H5' 1 3 U H6 3.223 3.123 3.323 3.334 3.329 3.337 0.014 11 0 "[ . 1 ]" 1 178 1 3 U H5'' 1 3 U H6 4.044 3.944 4.144 4.035 4.030 4.038 . 0 0 "[ . 1 ]" 1 179 1 3 U H6 1 4 C H6 4.950 4.850 5.050 5.045 5.035 5.050 . 8 0 "[ . 1 ]" 1 180 1 3 U HO2' 1 4 C H1' 4.151 4.051 4.251 4.171 4.163 4.178 . 0 0 "[ . 1 ]" 1 181 1 3 U HO2' 1 4 C H3' 4.845 4.745 4.945 4.807 4.804 4.811 . 0 0 "[ . 1 ]" 1 182 1 3 U HO2' 1 4 C H4' 3.521 3.421 3.621 3.354 3.348 3.362 0.073 11 0 "[ . 1 ]" 1 183 1 3 U HO2' 1 4 C H5' 1.995 . 2.095 1.915 1.906 1.923 . 0 0 "[ . 1 ]" 1 184 1 3 U HO2' 1 4 C H5'' 3.738 3.638 3.838 3.649 3.642 3.657 . 0 0 "[ . 1 ]" 1 185 1 3 U HO2' 1 4 C H6 3.220 3.120 3.320 3.357 3.355 3.359 0.039 7 0 "[ . 1 ]" 1 186 1 4 C H1' 1 4 C H2' 2.805 2.705 2.905 2.791 2.791 2.792 . 0 0 "[ . 1 ]" 1 187 1 4 C H1' 1 4 C H3' 3.857 3.757 3.957 3.859 3.857 3.860 . 0 0 "[ . 1 ]" 1 188 1 4 C H1' 1 4 C H4' 3.398 3.298 3.498 3.413 3.411 3.415 . 0 0 "[ . 1 ]" 1 189 1 4 C H1' 1 4 C H5' 4.577 4.477 4.677 4.628 4.626 4.632 . 0 0 "[ . 1 ]" 1 190 1 4 C H1' 1 4 C H6 3.520 3.420 3.620 3.529 3.528 3.531 . 0 0 "[ . 1 ]" 1 191 1 4 C H1' 1 4 C HO2' 2.989 2.889 3.089 2.911 2.905 2.940 . 0 0 "[ . 1 ]" 1 192 1 4 C H1' 1 5 C H5 4.979 4.879 5.079 5.100 5.096 5.104 0.025 1 0 "[ . 1 ]" 1 193 1 4 C H1' 1 5 C H5' 4.676 4.576 4.776 4.629 4.575 4.690 0.001 7 0 "[ . 1 ]" 1 194 1 4 C H1' 1 5 C H6 4.297 4.197 4.397 4.462 4.461 4.464 0.067 5 0 "[ . 1 ]" 1 195 1 4 C H1' 1 14 G H21 4.317 4.217 4.417 4.263 4.254 4.272 . 0 0 "[ . 1 ]" 1 196 1 4 C H2' 1 4 C H3' 2.425 2.325 2.525 2.412 2.410 2.414 . 0 0 "[ . 1 ]" 1 197 1 4 C H2' 1 4 C H4' 3.813 3.713 3.913 3.810 3.808 3.812 . 0 0 "[ . 1 ]" 1 198 1 4 C H2' 1 4 C H6 3.999 3.899 4.099 3.942 3.940 3.943 . 0 0 "[ . 1 ]" 1 199 1 4 C H2' 1 4 C HO2' 2.192 2.092 2.292 2.128 2.126 2.130 . 0 0 "[ . 1 ]" 1 200 1 4 C H2' 1 5 C H1' 4.193 4.093 4.293 4.317 4.315 4.320 0.027 7 0 "[ . 1 ]" 1 201 1 4 C H2' 1 5 C H3' 4.263 4.163 4.363 4.285 4.269 4.319 . 0 0 "[ . 1 ]" 1 202 1 4 C H2' 1 5 C H4' 4.441 4.341 4.541 4.498 4.481 4.519 . 0 0 "[ . 1 ]" 1 203 1 4 C H2' 1 5 C H5 3.089 2.989 3.189 3.134 3.125 3.141 . 0 0 "[ . 1 ]" 1 204 1 4 C H2' 1 5 C H5' 2.890 2.790 2.990 2.884 2.838 2.934 . 0 0 "[ . 1 ]" 1 205 1 4 C H2' 1 5 C H5'' 4.268 4.168 4.368 4.273 4.247 4.302 . 0 0 "[ . 1 ]" 1 206 1 4 C H2' 1 5 C H6 1.583 . 1.683 1.758 1.757 1.760 0.077 2 0 "[ . 1 ]" 1 207 1 4 C H2' 1 14 G H21 4.667 4.567 4.767 4.562 4.559 4.564 0.008 5 0 "[ . 1 ]" 1 208 1 4 C H3' 1 4 C H4' 3.007 2.907 3.107 3.006 3.004 3.008 . 0 0 "[ . 1 ]" 1 209 1 4 C H3' 1 4 C H5 4.769 4.669 4.869 4.636 4.633 4.638 0.036 10 0 "[ . 1 ]" 1 210 1 4 C H3' 1 4 C H5' 3.687 3.587 3.787 3.724 3.721 3.728 . 0 0 "[ . 1 ]" 1 211 1 4 C H3' 1 4 C H5'' 3.085 2.985 3.185 2.974 2.971 2.976 0.014 8 0 "[ . 1 ]" 1 212 1 4 C H3' 1 4 C H6 2.988 2.888 3.088 2.927 2.923 2.931 . 0 0 "[ . 1 ]" 1 213 1 4 C H3' 1 4 C HO2' 3.993 3.893 4.093 3.928 3.915 3.932 . 0 0 "[ . 1 ]" 1 214 1 4 C H3' 1 5 C H5 3.313 3.213 3.413 3.401 3.382 3.417 0.004 7 0 "[ . 1 ]" 1 215 1 4 C H3' 1 5 C H5' 3.958 3.858 4.058 4.023 3.987 4.059 0.001 6 0 "[ . 1 ]" 1 216 1 4 C H3' 1 5 C H5'' 4.908 4.808 5.008 4.970 4.952 4.987 . 0 0 "[ . 1 ]" 1 217 1 4 C H3' 1 5 C H6 3.104 3.004 3.204 3.218 3.215 3.222 0.018 7 0 "[ . 1 ]" 1 218 1 4 C H4' 1 4 C H5' 2.534 2.434 2.634 2.466 2.464 2.467 . 0 0 "[ . 1 ]" 1 219 1 4 C H4' 1 4 C H5'' 2.370 2.270 2.470 2.395 2.392 2.398 . 0 0 "[ . 1 ]" 1 220 1 4 C H4' 1 4 C H6 4.053 3.953 4.153 4.022 4.019 4.025 . 0 0 "[ . 1 ]" 1 221 1 4 C H4' 1 4 C HO2' 3.778 3.678 3.878 3.751 3.748 3.753 . 0 0 "[ . 1 ]" 1 222 1 4 C H4' 1 5 C H5' 4.167 4.067 4.267 4.224 4.189 4.268 0.001 5 0 "[ . 1 ]" 1 223 1 4 C H41 1 4 C H42 1.784 . 1.884 1.749 1.748 1.750 . 0 0 "[ . 1 ]" 1 224 1 4 C H41 1 4 C H5 3.708 3.608 3.808 3.669 3.667 3.670 . 0 0 "[ . 1 ]" 1 225 1 4 C H41 1 5 C H41 3.264 3.164 3.364 3.132 3.127 3.135 0.037 5 0 "[ . 1 ]" 1 226 1 4 C H41 1 5 C H42 3.066 2.966 3.166 2.964 2.959 2.972 0.007 7 0 "[ . 1 ]" 1 227 1 4 C H41 1 5 C H5 4.393 4.293 4.493 4.324 4.315 4.336 . 0 0 "[ . 1 ]" 1 228 1 4 C H41 1 13 G H1 4.747 4.647 4.847 4.614 4.607 4.620 0.040 7 0 "[ . 1 ]" 1 229 1 4 C H41 1 14 G H1 2.478 2.378 2.578 2.586 2.583 2.590 0.012 5 0 "[ . 1 ]" 1 230 1 4 C H41 1 14 G H21 4.566 4.466 4.666 4.685 4.683 4.689 0.023 5 0 "[ . 1 ]" 1 231 1 4 C H41 1 15 A H61 3.827 3.727 3.927 3.849 3.827 3.868 . 0 0 "[ . 1 ]" 1 232 1 4 C H41 1 15 A H62 4.579 4.479 4.679 4.365 4.357 4.371 0.122 2 0 "[ . 1 ]" 1 233 1 4 C H42 1 4 C H5 2.426 2.326 2.526 2.416 2.414 2.418 . 0 0 "[ . 1 ]" 1 234 1 4 C H42 1 4 C H6 4.651 4.551 4.751 4.627 4.625 4.629 . 0 0 "[ . 1 ]" 1 235 1 4 C H42 1 5 C H41 4.124 4.024 4.224 4.013 4.009 4.015 0.015 3 0 "[ . 1 ]" 1 236 1 4 C H42 1 5 C H42 3.221 3.121 3.321 3.135 3.131 3.142 . 0 0 "[ . 1 ]" 1 237 1 4 C H42 1 5 C H5 4.475 4.375 4.575 4.404 4.394 4.418 . 0 0 "[ . 1 ]" 1 238 1 4 C H42 1 14 G H1 4.023 3.923 4.123 4.110 4.105 4.117 . 0 0 "[ . 1 ]" 1 239 1 4 C H5 1 4 C H6 2.457 2.357 2.557 2.438 2.437 2.439 . 0 0 "[ . 1 ]" 1 240 1 4 C H5 1 5 C H42 4.046 3.946 4.146 4.063 4.055 4.068 . 0 0 "[ . 1 ]" 1 241 1 4 C H5 1 5 C H5 3.995 3.895 4.095 4.001 3.993 4.011 . 0 0 "[ . 1 ]" 1 242 1 4 C H5' 1 4 C H5'' 1.776 . 1.876 1.774 1.773 1.775 . 0 0 "[ . 1 ]" 1 243 1 4 C H5' 1 4 C H6 3.241 3.141 3.341 3.351 3.345 3.355 0.014 11 0 "[ . 1 ]" 1 244 1 4 C H5'' 1 4 C H6 4.055 3.955 4.155 3.948 3.942 3.951 0.013 6 0 "[ . 1 ]" 1 245 1 4 C H6 1 5 C H5 4.001 3.901 4.101 4.136 4.132 4.138 0.037 9 0 "[ . 1 ]" 1 246 1 4 C H6 1 5 C H6 4.951 4.851 5.051 5.057 5.052 5.061 0.010 6 0 "[ . 1 ]" 1 247 1 4 C HO2' 1 5 C H1' 4.151 4.051 4.251 4.258 4.254 4.260 0.009 2 0 "[ . 1 ]" 1 248 1 4 C HO2' 1 5 C H3' 4.845 4.745 4.945 4.836 4.816 4.856 . 0 0 "[ . 1 ]" 1 249 1 4 C HO2' 1 5 C H4' 3.522 3.422 3.622 3.604 3.579 3.623 0.001 6 0 "[ . 1 ]" 1 250 1 4 C HO2' 1 5 C H5' 1.994 . 2.094 1.941 1.896 1.979 . 0 0 "[ . 1 ]" 1 251 1 4 C HO2' 1 5 C H5'' 3.738 3.638 3.838 3.699 3.655 3.735 . 0 0 "[ . 1 ]" 1 252 1 4 C HO2' 1 5 C H6 3.221 3.121 3.321 3.279 3.267 3.286 . 0 0 "[ . 1 ]" 1 253 1 5 C H1' 1 6 C H2' 6.800 5.400 8.200 7.530 7.098 8.158 . 0 0 "[ . 1 ]" 1 254 1 5 C H1' 1 6 C H6 5.660 4.560 6.760 5.397 5.112 5.760 . 0 0 "[ . 1 ]" 1 255 1 5 C H1' 1 13 G H21 4.316 4.216 4.416 4.440 4.436 4.447 0.031 11 0 "[ . 1 ]" 1 256 1 5 C H1' 1 14 G H21 4.373 4.273 4.473 4.286 4.281 4.295 . 0 0 "[ . 1 ]" 1 257 1 5 C H1' 1 14 G H22 4.493 4.393 4.593 4.318 4.313 4.324 0.080 11 0 "[ . 1 ]" 1 258 1 5 C H2' 1 6 C H5 4.950 3.950 5.950 4.576 4.104 5.015 . 0 0 "[ . 1 ]" 1 259 1 5 C H2' 1 6 C H6 2.610 2.110 3.110 2.666 2.337 3.010 . 0 0 "[ . 1 ]" 1 260 1 5 C H2' 1 13 G H21 4.666 4.566 4.766 4.787 4.780 4.791 0.025 4 0 "[ . 1 ]" 1 261 1 5 C H3' 1 6 C H6 3.260 2.660 3.860 2.911 2.664 3.312 . 0 0 "[ . 1 ]" 1 262 1 5 C H4' 1 6 C H6 5.390 4.290 6.490 5.508 5.317 5.917 . 0 0 "[ . 1 ]" 1 263 1 5 C H41 1 13 G H1 2.478 2.378 2.578 2.431 2.401 2.480 . 0 0 "[ . 1 ]" 1 264 1 5 C H41 1 13 G H21 4.566 4.466 4.666 4.522 4.490 4.580 . 0 0 "[ . 1 ]" 1 265 1 5 C H41 1 14 G H1 3.888 3.788 3.988 3.912 3.905 3.919 . 0 0 "[ . 1 ]" 1 266 1 5 C H42 1 13 G H1 4.023 3.923 4.123 3.999 3.974 4.041 . 0 0 "[ . 1 ]" 1 267 1 5 C H42 1 14 G H1 4.085 3.985 4.185 4.189 4.182 4.191 0.006 2 0 "[ . 1 ]" 1 268 1 5 C H5 1 6 C H5 5.950 4.750 7.150 5.435 4.755 5.950 . 0 0 "[ . 1 ]" 1 269 1 5 C H5 1 6 C H6 6.080 4.880 7.280 5.802 5.621 6.000 . 0 0 "[ . 1 ]" 1 270 1 5 C H5 1 14 G H1 4.398 4.298 4.498 4.517 4.513 4.522 0.024 6 0 "[ . 1 ]" 1 271 1 5 C H6 1 6 C H2' 6.800 5.400 8.200 7.874 7.483 8.044 . 0 0 "[ . 1 ]" 1 272 1 5 C H6 1 14 G H21 4.961 4.861 5.061 4.930 4.926 4.934 . 0 0 "[ . 1 ]" 1 273 1 6 C H1' 1 6 C H2' 2.440 . 2.940 2.779 2.775 2.788 . 0 0 "[ . 1 ]" 1 274 1 6 C H1' 1 6 C H6 3.590 2.890 4.290 3.575 3.524 3.635 . 0 0 "[ . 1 ]" 1 275 1 6 C H1' 1 7 U H6 5.700 4.600 6.800 5.440 5.254 5.741 . 0 0 "[ . 1 ]" 1 276 1 6 C H2' 1 6 C H5 5.270 4.270 6.270 5.322 5.186 5.431 . 0 0 "[ . 1 ]" 1 277 1 6 C H2' 1 6 C H6 3.760 2.960 4.560 3.829 3.632 3.975 . 0 0 "[ . 1 ]" 1 278 1 6 C H2' 1 7 U H5 4.030 3.230 4.830 3.961 3.228 4.530 0.002 7 0 "[ . 1 ]" 1 279 1 6 C H2' 1 7 U H6 3.380 2.680 4.080 2.899 2.674 3.331 0.006 6 0 "[ . 1 ]" 1 280 1 6 C H3' 1 6 C H6 2.660 2.160 3.160 2.691 2.406 2.912 . 0 0 "[ . 1 ]" 1 281 1 6 C H3' 1 7 U H5 2.450 . 2.950 2.656 2.377 2.853 . 0 0 "[ . 1 ]" 1 282 1 6 C H5 1 6 C H6 2.440 . 2.940 2.439 2.438 2.441 . 0 0 "[ . 1 ]" 1 283 1 6 C H6 1 7 U H2' 7.250 5.750 8.750 8.272 7.571 8.747 . 0 0 "[ . 1 ]" 1 284 1 6 C H6 1 7 U H5 3.310 2.610 4.010 3.284 2.713 3.753 . 0 0 "[ . 1 ]" 1 285 1 7 U H1' 1 7 U H2' 2.440 . 2.940 2.779 2.772 2.787 . 0 0 "[ . 1 ]" 1 286 1 7 U H1' 1 7 U H6 3.590 2.890 4.290 3.570 3.524 3.616 . 0 0 "[ . 1 ]" 1 287 1 7 U H1' 1 9 A H8 4.630 3.630 5.630 4.704 4.171 5.117 . 0 0 "[ . 1 ]" 1 288 1 7 U H1' 1 10 C H6 5.200 4.200 6.200 5.624 5.008 6.196 . 0 0 "[ . 1 ]" 1 289 1 7 U H1' 1 11 A H2 6.600 5.300 7.900 6.696 5.620 7.494 . 0 0 "[ . 1 ]" 1 290 1 7 U H2' 1 7 U H6 3.790 2.990 4.590 3.848 3.708 3.969 . 0 0 "[ . 1 ]" 1 291 1 7 U H3' 1 7 U H5 4.680 3.780 5.580 4.502 4.362 4.637 . 0 0 "[ . 1 ]" 1 292 1 7 U H3' 1 7 U H6 2.640 2.140 3.140 2.724 2.502 2.925 . 0 0 "[ . 1 ]" 1 293 1 7 U H4' 1 7 U H6 3.960 3.160 4.760 3.861 3.836 3.907 . 0 0 "[ . 1 ]" 1 294 1 7 U H5 1 7 U H6 2.440 . 2.940 2.406 2.405 2.408 . 0 0 "[ . 1 ]" 1 295 1 8 U H1' 1 8 U H2' 2.440 . 2.940 2.779 2.765 2.792 . 0 0 "[ . 1 ]" 1 296 1 8 U H1' 1 8 U H6 3.190 2.590 3.790 3.429 3.357 3.476 . 0 0 "[ . 1 ]" 1 297 1 8 U H1' 1 9 A H8 6.410 5.110 7.710 6.298 5.947 6.713 . 0 0 "[ . 1 ]" 1 298 1 8 U H2' 1 8 U H6 4.560 3.560 5.560 4.153 4.068 4.252 . 0 0 "[ . 1 ]" 1 299 1 8 U H2' 1 9 A H8 4.810 3.810 5.810 5.258 4.826 5.801 . 0 0 "[ . 1 ]" 1 300 1 8 U H3' 1 8 U H6 3.920 3.120 4.720 3.250 3.109 3.481 0.011 6 0 "[ . 1 ]" 1 301 1 8 U H3' 1 9 A H8 3.600 2.900 4.300 3.225 2.893 3.692 0.007 11 0 "[ . 1 ]" 1 302 1 8 U H5'' 1 8 U H6 2.230 . 2.630 2.519 2.310 2.644 0.014 6 0 "[ . 1 ]" 1 303 1 8 U H6 1 9 A H1' 4.650 3.650 5.650 5.180 4.427 5.656 0.006 7 0 "[ . 1 ]" 1 304 1 8 U H6 1 9 A H4' 6.370 5.070 7.670 6.192 5.771 6.705 . 0 0 "[ . 1 ]" 1 305 1 9 A H1' 1 9 A H2' 2.440 . 2.940 2.785 2.773 2.800 . 0 0 "[ . 1 ]" 1 306 1 9 A H1' 1 9 A H4' 3.740 3.040 4.440 3.498 3.431 3.564 . 0 0 "[ . 1 ]" 1 307 1 9 A H1' 1 9 A H8 3.550 2.850 4.250 3.602 3.523 3.706 . 0 0 "[ . 1 ]" 1 308 1 9 A H2 1 10 C H1' 4.320 3.420 5.220 4.404 3.441 5.214 . 0 0 "[ . 1 ]" 1 309 1 9 A H2 1 11 A H1' 5.830 4.630 7.030 6.597 5.949 7.031 0.001 9 0 "[ . 1 ]" 1 310 1 9 A H2' 1 9 A H8 4.320 3.420 5.220 4.257 4.030 4.404 . 0 0 "[ . 1 ]" 1 311 1 9 A H2' 1 10 C H5 4.540 3.640 5.440 3.932 3.631 4.477 0.009 7 0 "[ . 1 ]" 1 312 1 9 A H2' 1 10 C H6 2.750 2.150 3.350 2.879 2.402 3.343 . 0 0 "[ . 1 ]" 1 313 1 9 A H3' 1 9 A H8 3.730 3.030 4.430 3.406 3.095 3.634 . 0 0 "[ . 1 ]" 1 314 1 9 A H3' 1 10 C H6 3.010 2.410 3.610 3.392 3.007 3.621 0.011 3 0 "[ . 1 ]" 1 315 1 9 A H4' 1 9 A H8 4.070 3.270 4.870 4.311 4.288 4.357 . 0 0 "[ . 1 ]" 1 316 1 9 A H4' 1 10 C H1' 7.700 6.100 9.300 7.953 7.410 8.533 . 0 0 "[ . 1 ]" 1 317 1 10 C H1' 1 10 C H2' 2.440 . 2.940 2.788 2.773 2.798 . 0 0 "[ . 1 ]" 1 318 1 10 C H1' 1 10 C H6 3.470 2.770 4.170 3.503 3.398 3.583 . 0 0 "[ . 1 ]" 1 319 1 10 C H2' 1 10 C H6 4.020 3.220 4.820 3.987 3.788 4.191 . 0 0 "[ . 1 ]" 1 320 1 10 C H3' 1 10 C H6 3.320 2.720 3.920 2.993 2.711 3.364 0.009 2 0 "[ . 1 ]" 1 321 1 10 C H4' 1 10 C H6 4.040 3.240 4.840 3.953 3.919 4.031 . 0 0 "[ . 1 ]" 1 322 1 10 C H5 1 10 C H6 2.440 . 2.940 2.440 2.439 2.440 . 0 0 "[ . 1 ]" 1 323 1 10 C H6 1 11 A H1' 4.510 3.610 5.410 4.992 4.333 5.413 0.003 2 0 "[ . 1 ]" 1 324 1 11 A H1' 1 11 A H2' 2.440 . 2.940 2.777 2.762 2.791 . 0 0 "[ . 1 ]" 1 325 1 11 A H1' 1 11 A H3' 3.870 3.170 4.570 3.871 3.859 3.886 . 0 0 "[ . 1 ]" 1 326 1 11 A H1' 1 11 A H4' 3.460 2.760 4.160 3.528 3.469 3.573 . 0 0 "[ . 1 ]" 1 327 1 11 A H1' 1 11 A H8 3.780 2.980 4.580 3.700 3.607 3.838 . 0 0 "[ . 1 ]" 1 328 1 11 A H2 1 12 A H1' 4.200 3.400 5.000 4.290 3.827 5.002 0.002 2 0 "[ . 1 ]" 1 329 1 11 A H2' 1 11 A H8 4.060 3.260 4.860 4.051 3.624 4.286 . 0 0 "[ . 1 ]" 1 330 1 11 A H3' 1 11 A H8 2.790 2.190 3.390 3.034 2.412 3.395 0.005 4 0 "[ . 1 ]" 1 331 1 11 A H4' 1 11 A H8 4.280 3.480 5.080 4.208 4.088 4.303 . 0 0 "[ . 1 ]" 1 332 1 12 A H1' 1 12 A H8 3.580 2.880 4.280 3.772 3.698 3.800 . 0 0 "[ . 1 ]" 1 333 1 12 A H1' 1 13 G H8 5.210 4.210 6.210 4.811 4.520 5.144 . 0 0 "[ . 1 ]" 1 334 1 12 A H2 1 13 G H1' 3.660 2.960 4.360 4.021 3.268 4.362 0.002 11 0 "[ . 1 ]" 1 335 1 12 A H2' 1 12 A H8 3.760 3.060 4.460 3.850 3.726 4.053 . 0 0 "[ . 1 ]" 1 336 1 12 A H2' 1 13 G H8 2.450 . 2.950 2.393 2.302 2.737 . 0 0 "[ . 1 ]" 1 337 1 12 A H3' 1 12 A H8 2.750 2.250 3.250 2.816 2.651 3.115 . 0 0 "[ . 1 ]" 1 338 1 12 A H3' 1 13 G H8 2.320 . 2.820 2.354 2.096 2.660 . 0 0 "[ . 1 ]" 1 339 1 12 A H4' 1 12 A H8 4.240 3.440 5.040 4.246 4.177 4.307 . 0 0 "[ . 1 ]" 1 340 1 13 G H1 1 13 G H21 2.169 2.069 2.269 2.185 2.183 2.189 . 0 0 "[ . 1 ]" 1 341 1 13 G H1 1 13 G H22 3.479 3.379 3.579 3.450 3.449 3.451 . 0 0 "[ . 1 ]" 1 342 1 13 G H1 1 14 G H1 4.082 3.982 4.182 4.063 4.028 4.075 . 0 0 "[ . 1 ]" 1 343 1 13 G H1' 1 13 G H2' 2.805 2.705 2.905 2.793 2.787 2.799 . 0 0 "[ . 1 ]" 1 344 1 13 G H1' 1 13 G H22 4.774 4.674 4.874 4.778 4.761 4.802 . 0 0 "[ . 1 ]" 1 345 1 13 G H1' 1 13 G H3' 3.857 3.757 3.957 3.844 3.837 3.849 . 0 0 "[ . 1 ]" 1 346 1 13 G H1' 1 13 G H4' 3.398 3.298 3.498 3.396 3.374 3.413 . 0 0 "[ . 1 ]" 1 347 1 13 G H1' 1 13 G H5' 4.577 4.477 4.677 4.630 4.578 4.670 . 0 0 "[ . 1 ]" 1 348 1 13 G H1' 1 13 G H8 3.727 3.627 3.827 3.677 3.667 3.684 . 0 0 "[ . 1 ]" 1 349 1 13 G H1' 1 13 G HO2' 2.565 2.465 2.665 2.551 2.471 2.653 . 0 0 "[ . 1 ]" 1 350 1 13 G H1' 1 14 G H5' 4.677 4.577 4.777 4.718 4.663 4.748 . 0 0 "[ . 1 ]" 1 351 1 13 G H1' 1 14 G H8 4.319 4.219 4.419 4.457 4.434 4.470 0.051 3 0 "[ . 1 ]" 1 352 1 13 G H2' 1 13 G H22 4.701 4.601 4.801 4.716 4.672 4.768 . 0 0 "[ . 1 ]" 1 353 1 13 G H2' 1 13 G H3' 2.425 2.325 2.525 2.416 2.415 2.418 . 0 0 "[ . 1 ]" 1 354 1 13 G H2' 1 13 G H4' 3.813 3.713 3.913 3.794 3.790 3.803 . 0 0 "[ . 1 ]" 1 355 1 13 G H2' 1 13 G H8 4.149 4.049 4.249 4.086 4.048 4.122 0.001 5 0 "[ . 1 ]" 1 356 1 13 G H2' 1 13 G HO2' 2.947 2.847 3.047 2.859 2.852 2.861 . 0 0 "[ . 1 ]" 1 357 1 13 G H2' 1 14 G H1' 4.192 4.092 4.292 4.210 4.196 4.224 . 0 0 "[ . 1 ]" 1 358 1 13 G H2' 1 14 G H3' 4.263 4.163 4.363 4.323 4.261 4.373 0.010 3 0 "[ . 1 ]" 1 359 1 13 G H2' 1 14 G H4' 4.442 4.342 4.542 4.407 4.379 4.425 . 0 0 "[ . 1 ]" 1 360 1 13 G H2' 1 14 G H5' 2.891 2.791 2.991 2.842 2.811 2.859 . 0 0 "[ . 1 ]" 1 361 1 13 G H2' 1 14 G H5'' 4.268 4.168 4.368 4.261 4.209 4.288 . 0 0 "[ . 1 ]" 1 362 1 13 G H2' 1 14 G H8 1.673 . 1.773 1.819 1.813 1.824 0.051 9 0 "[ . 1 ]" 1 363 1 13 G H21 1 13 G H22 1.784 . 1.884 1.756 1.755 1.757 . 0 0 "[ . 1 ]" 1 364 1 13 G H21 1 14 G H1 4.790 4.690 4.890 4.915 4.911 4.918 0.028 5 0 "[ . 1 ]" 1 365 1 13 G H21 1 14 G H1' 4.205 4.105 4.305 4.188 4.169 4.200 . 0 0 "[ . 1 ]" 1 366 1 13 G H21 1 14 G H22 4.772 4.672 4.872 4.853 4.816 4.872 0.000 7 0 "[ . 1 ]" 1 367 1 13 G H22 1 14 G H1' 3.255 3.155 3.355 3.369 3.363 3.376 0.021 7 0 "[ . 1 ]" 1 368 1 13 G H22 1 14 G H8 4.875 4.775 4.975 5.008 5.001 5.023 0.048 5 0 "[ . 1 ]" 1 369 1 13 G H3' 1 13 G H4' 3.008 2.908 3.108 3.012 3.008 3.014 . 0 0 "[ . 1 ]" 1 370 1 13 G H3' 1 13 G H5' 3.687 3.587 3.787 3.723 3.681 3.746 . 0 0 "[ . 1 ]" 1 371 1 13 G H3' 1 13 G H5'' 3.086 2.986 3.186 2.992 2.935 3.086 0.051 3 0 "[ . 1 ]" 1 372 1 13 G H3' 1 13 G H8 3.196 3.096 3.296 3.082 3.059 3.109 0.037 5 0 "[ . 1 ]" 1 373 1 13 G H3' 1 13 G HO2' 3.597 3.497 3.697 3.555 3.508 3.588 . 0 0 "[ . 1 ]" 1 374 1 13 G H3' 1 14 G H5' 3.959 3.859 4.059 3.976 3.956 4.007 . 0 0 "[ . 1 ]" 1 375 1 13 G H3' 1 14 G H5'' 4.908 4.808 5.008 4.949 4.940 4.957 . 0 0 "[ . 1 ]" 1 376 1 13 G H3' 1 14 G H8 3.023 2.923 3.123 3.015 2.957 3.056 . 0 0 "[ . 1 ]" 1 377 1 13 G H4' 1 13 G H5' 2.534 2.434 2.634 2.462 2.429 2.522 0.005 3 0 "[ . 1 ]" 1 378 1 13 G H4' 1 13 G H5'' 2.370 2.270 2.470 2.394 2.341 2.431 . 0 0 "[ . 1 ]" 1 379 1 13 G H4' 1 13 G H8 4.409 4.309 4.509 4.305 4.297 4.311 0.012 9 0 "[ . 1 ]" 1 380 1 13 G H4' 1 13 G HO2' 2.044 . 2.144 2.067 2.028 2.115 . 0 0 "[ . 1 ]" 1 381 1 13 G H4' 1 14 G H5' 4.167 4.067 4.267 4.276 4.270 4.285 0.018 5 0 "[ . 1 ]" 1 382 1 13 G H5' 1 13 G H5'' 1.776 . 1.876 1.775 1.774 1.776 . 0 0 "[ . 1 ]" 1 383 1 13 G H5' 1 13 G H8 3.564 3.464 3.664 3.628 3.463 3.685 0.021 4 0 "[ . 1 ]" 1 384 1 13 G H5' 1 13 G HO2' 4.410 4.310 4.510 4.393 4.366 4.440 . 0 0 "[ . 1 ]" 1 385 1 13 G H5'' 1 13 G H8 4.368 4.268 4.468 4.226 4.180 4.252 0.088 3 0 "[ . 1 ]" 1 386 1 13 G H5'' 1 13 G HO2' 4.310 4.210 4.410 4.310 4.253 4.349 . 0 0 "[ . 1 ]" 1 387 1 13 G H8 1 14 G H8 4.797 4.697 4.897 4.789 4.721 4.836 . 0 0 "[ . 1 ]" 1 388 1 13 G HO2' 1 14 G H5' 2.941 2.841 3.041 2.995 2.895 3.038 . 0 0 "[ . 1 ]" 1 389 1 13 G HO2' 1 14 G H5'' 4.602 4.502 4.702 4.644 4.528 4.698 . 0 0 "[ . 1 ]" 1 390 1 13 G HO2' 1 14 G H8 4.547 4.447 4.647 4.586 4.560 4.612 . 0 0 "[ . 1 ]" 1 391 1 14 G H1 1 14 G H21 2.168 2.068 2.268 2.194 2.192 2.195 . 0 0 "[ . 1 ]" 1 392 1 14 G H1 1 14 G H22 3.479 3.379 3.579 3.462 3.461 3.463 . 0 0 "[ . 1 ]" 1 393 1 14 G H1' 1 14 G H2' 2.805 2.705 2.905 2.792 2.788 2.796 . 0 0 "[ . 1 ]" 1 394 1 14 G H1' 1 14 G H22 4.775 4.675 4.875 4.745 4.737 4.750 . 0 0 "[ . 1 ]" 1 395 1 14 G H1' 1 14 G H3' 3.857 3.757 3.957 3.846 3.844 3.850 . 0 0 "[ . 1 ]" 1 396 1 14 G H1' 1 14 G H4' 3.397 3.297 3.497 3.382 3.365 3.404 . 0 0 "[ . 1 ]" 1 397 1 14 G H1' 1 14 G H5' 4.577 4.477 4.677 4.570 4.565 4.577 . 0 0 "[ . 1 ]" 1 398 1 14 G H1' 1 14 G H8 3.727 3.627 3.827 3.683 3.679 3.687 . 0 0 "[ . 1 ]" 1 399 1 14 G H1' 1 14 G HO2' 2.565 2.465 2.665 2.446 2.443 2.450 0.022 6 0 "[ . 1 ]" 1 400 1 14 G H1' 1 15 A H5' 4.677 4.577 4.777 4.624 4.618 4.631 . 0 0 "[ . 1 ]" 1 401 1 14 G H1' 1 15 A H8 4.319 4.219 4.419 4.521 4.517 4.524 0.105 7 0 "[ . 1 ]" 1 402 1 14 G H2' 1 14 G H22 4.701 4.601 4.801 4.717 4.696 4.757 . 0 0 "[ . 1 ]" 1 403 1 14 G H2' 1 14 G H3' 2.425 2.325 2.525 2.410 2.408 2.412 . 0 0 "[ . 1 ]" 1 404 1 14 G H2' 1 14 G H4' 3.813 3.713 3.913 3.794 3.790 3.804 . 0 0 "[ . 1 ]" 1 405 1 14 G H2' 1 14 G H8 4.150 4.050 4.250 4.074 4.055 4.088 . 0 0 "[ . 1 ]" 1 406 1 14 G H2' 1 14 G HO2' 2.947 2.847 3.047 2.861 2.859 2.862 . 0 0 "[ . 1 ]" 1 407 1 14 G H2' 1 15 A H1' 4.192 4.092 4.292 4.068 4.060 4.073 0.032 6 0 "[ . 1 ]" 1 408 1 14 G H2' 1 15 A H3' 4.263 4.163 4.363 4.294 4.286 4.300 . 0 0 "[ . 1 ]" 1 409 1 14 G H2' 1 15 A H4' 4.442 4.342 4.542 4.373 4.359 4.381 . 0 0 "[ . 1 ]" 1 410 1 14 G H2' 1 15 A H5' 2.891 2.791 2.991 2.998 2.996 2.999 0.008 7 0 "[ . 1 ]" 1 411 1 14 G H2' 1 15 A H5'' 4.268 4.168 4.368 4.291 4.283 4.296 . 0 0 "[ . 1 ]" 1 412 1 14 G H2' 1 15 A H8 1.673 . 1.773 1.821 1.820 1.822 0.049 8 0 "[ . 1 ]" 1 413 1 14 G H21 1 14 G H22 1.784 . 1.884 1.755 1.754 1.756 . 0 0 "[ . 1 ]" 1 414 1 14 G H3' 1 14 G H4' 3.007 2.907 3.107 3.012 3.008 3.014 . 0 0 "[ . 1 ]" 1 415 1 14 G H3' 1 14 G H5' 3.687 3.587 3.787 3.694 3.683 3.703 . 0 0 "[ . 1 ]" 1 416 1 14 G H3' 1 14 G H5'' 3.085 2.985 3.185 3.097 3.084 3.109 . 0 0 "[ . 1 ]" 1 417 1 14 G H3' 1 14 G H8 3.196 3.096 3.296 3.096 3.078 3.116 0.018 5 0 "[ . 1 ]" 1 418 1 14 G H3' 1 14 G HO2' 3.596 3.496 3.696 3.596 3.593 3.599 . 0 0 "[ . 1 ]" 1 419 1 14 G H3' 1 15 A H5' 3.959 3.859 4.059 4.067 4.065 4.070 0.011 6 0 "[ . 1 ]" 1 420 1 14 G H3' 1 15 A H5'' 4.908 4.808 5.008 5.054 5.052 5.056 0.048 6 0 "[ . 1 ]" 1 421 1 14 G H3' 1 15 A H8 3.023 2.923 3.123 3.149 3.135 3.157 0.034 5 0 "[ . 1 ]" 1 422 1 14 G H4' 1 14 G H5' 2.534 2.434 2.634 2.518 2.511 2.522 . 0 0 "[ . 1 ]" 1 423 1 14 G H4' 1 14 G H5'' 2.370 2.270 2.470 2.341 2.338 2.347 . 0 0 "[ . 1 ]" 1 424 1 14 G H4' 1 14 G H8 4.410 4.310 4.510 4.316 4.305 4.327 0.005 4 0 "[ . 1 ]" 1 425 1 14 G H4' 1 14 G HO2' 2.043 . 2.143 2.116 2.104 2.139 . 0 0 "[ . 1 ]" 1 426 1 14 G H4' 1 15 A H5' 4.167 4.067 4.267 4.081 4.073 4.096 . 0 0 "[ . 1 ]" 1 427 1 14 G H5' 1 14 G H5'' 1.776 . 1.876 1.775 1.773 1.775 . 0 0 "[ . 1 ]" 1 428 1 14 G H5' 1 14 G H8 3.564 3.464 3.664 3.516 3.464 3.553 0.000 3 0 "[ . 1 ]" 1 429 1 14 G H5' 1 14 G HO2' 4.409 4.309 4.509 4.439 4.434 4.453 . 0 0 "[ . 1 ]" 1 430 1 14 G H5'' 1 14 G H8 4.368 4.268 4.468 4.301 4.267 4.329 0.001 3 0 "[ . 1 ]" 1 431 1 14 G H5'' 1 14 G HO2' 4.309 4.209 4.409 4.351 4.338 4.370 . 0 0 "[ . 1 ]" 1 432 1 14 G HO2' 1 15 A H5' 2.941 2.841 3.041 2.814 2.809 2.818 0.032 6 0 "[ . 1 ]" 1 433 1 14 G HO2' 1 15 A H5'' 4.602 4.502 4.702 4.544 4.538 4.547 . 0 0 "[ . 1 ]" 1 434 1 14 G HO2' 1 15 A H8 4.547 4.447 4.647 4.539 4.533 4.542 . 0 0 "[ . 1 ]" 1 435 1 15 A H1' 1 15 A H2 4.791 4.691 4.891 4.746 4.742 4.749 . 0 0 "[ . 1 ]" 1 436 1 15 A H1' 1 15 A H2' 2.805 2.705 2.905 2.792 2.791 2.793 . 0 0 "[ . 1 ]" 1 437 1 15 A H1' 1 15 A H3' 3.857 3.757 3.957 3.851 3.850 3.853 . 0 0 "[ . 1 ]" 1 438 1 15 A H1' 1 15 A H4' 3.397 3.297 3.497 3.414 3.411 3.418 . 0 0 "[ . 1 ]" 1 439 1 15 A H1' 1 15 A H5' 4.577 4.477 4.677 4.621 4.617 4.625 . 0 0 "[ . 1 ]" 1 440 1 15 A H1' 1 15 A H8 3.700 3.600 3.800 3.714 3.713 3.715 . 0 0 "[ . 1 ]" 1 441 1 15 A H1' 1 15 A HO2' 2.564 2.464 2.664 2.553 2.504 2.602 . 0 0 "[ . 1 ]" 1 442 1 15 A H1' 1 16 G H5' 4.677 4.577 4.777 4.622 4.614 4.628 . 0 0 "[ . 1 ]" 1 443 1 15 A H1' 1 16 G H8 4.320 4.220 4.420 4.448 4.446 4.450 0.030 11 0 "[ . 1 ]" 1 444 1 15 A H2 1 15 A H2' 4.663 4.563 4.763 4.766 4.760 4.769 0.006 2 0 "[ . 1 ]" 1 445 1 15 A H2 1 15 A H61 4.506 4.406 4.606 4.475 4.473 4.476 . 0 0 "[ . 1 ]" 1 446 1 15 A H2 1 16 G H1' 3.831 3.731 3.931 3.914 3.893 3.935 0.004 7 0 "[ . 1 ]" 1 447 1 15 A H2 1 16 G H8 4.645 4.545 4.745 4.792 4.788 4.795 0.050 3 0 "[ . 1 ]" 1 448 1 15 A H2' 1 15 A H3' 2.425 2.325 2.525 2.414 2.413 2.415 . 0 0 "[ . 1 ]" 1 449 1 15 A H2' 1 15 A H4' 3.813 3.713 3.913 3.806 3.803 3.808 . 0 0 "[ . 1 ]" 1 450 1 15 A H2' 1 15 A H8 4.125 4.025 4.225 4.054 4.050 4.058 . 0 0 "[ . 1 ]" 1 451 1 15 A H2' 1 15 A HO2' 2.946 2.846 3.046 2.860 2.858 2.862 . 0 0 "[ . 1 ]" 1 452 1 15 A H2' 1 16 G H1' 4.192 4.092 4.292 4.274 4.270 4.278 . 0 0 "[ . 1 ]" 1 453 1 15 A H2' 1 16 G H3' 4.263 4.163 4.363 4.263 4.252 4.273 . 0 0 "[ . 1 ]" 1 454 1 15 A H2' 1 16 G H4' 4.442 4.342 4.542 4.386 4.378 4.393 . 0 0 "[ . 1 ]" 1 455 1 15 A H2' 1 16 G H5' 2.891 2.791 2.991 2.808 2.797 2.827 . 0 0 "[ . 1 ]" 1 456 1 15 A H2' 1 16 G H5'' 4.268 4.168 4.368 4.193 4.187 4.198 . 0 0 "[ . 1 ]" 1 457 1 15 A H2' 1 16 G H8 1.674 . 1.774 1.844 1.835 1.850 0.076 7 0 "[ . 1 ]" 1 458 1 15 A H3' 1 15 A H4' 3.007 2.907 3.107 3.009 3.008 3.010 . 0 0 "[ . 1 ]" 1 459 1 15 A H3' 1 15 A H5' 3.686 3.586 3.786 3.717 3.714 3.721 . 0 0 "[ . 1 ]" 1 460 1 15 A H3' 1 15 A H5'' 3.085 2.985 3.185 3.001 2.996 3.004 . 0 0 "[ . 1 ]" 1 461 1 15 A H3' 1 15 A H8 3.163 3.063 3.263 3.043 3.040 3.047 0.023 1 0 "[ . 1 ]" 1 462 1 15 A H3' 1 15 A HO2' 3.596 3.496 3.696 3.557 3.536 3.579 . 0 0 "[ . 1 ]" 1 463 1 15 A H3' 1 16 G H5' 3.959 3.859 4.059 4.009 3.995 4.031 . 0 0 "[ . 1 ]" 1 464 1 15 A H3' 1 16 G H5'' 4.908 4.808 5.008 4.945 4.937 4.955 . 0 0 "[ . 1 ]" 1 465 1 15 A H3' 1 16 G H8 3.024 2.924 3.124 3.132 3.127 3.135 0.011 5 0 "[ . 1 ]" 1 466 1 15 A H4' 1 15 A H5' 2.534 2.434 2.634 2.471 2.467 2.474 . 0 0 "[ . 1 ]" 1 467 1 15 A H4' 1 15 A H5'' 2.370 2.270 2.470 2.382 2.380 2.386 . 0 0 "[ . 1 ]" 1 468 1 15 A H4' 1 15 A H8 4.363 4.263 4.463 4.316 4.313 4.319 . 0 0 "[ . 1 ]" 1 469 1 15 A H4' 1 15 A HO2' 2.043 . 2.143 2.092 2.070 2.115 . 0 0 "[ . 1 ]" 1 470 1 15 A H4' 1 16 G H5' 4.168 4.068 4.268 4.275 4.273 4.278 0.010 11 0 "[ . 1 ]" 1 471 1 15 A H5' 1 15 A H5'' 1.776 . 1.876 1.773 1.772 1.774 . 0 0 "[ . 1 ]" 1 472 1 15 A H5' 1 15 A H8 3.522 3.422 3.622 3.609 3.599 3.621 . 0 0 "[ . 1 ]" 1 473 1 15 A H5' 1 15 A HO2' 4.410 4.310 4.510 4.414 4.405 4.423 . 0 0 "[ . 1 ]" 1 474 1 15 A H5'' 1 15 A H8 4.325 4.225 4.425 4.204 4.199 4.208 0.026 10 0 "[ . 1 ]" 1 475 1 15 A H5'' 1 15 A HO2' 4.309 4.209 4.409 4.327 4.297 4.357 . 0 0 "[ . 1 ]" 1 476 1 15 A H61 1 15 A H62 1.784 . 1.884 1.755 1.754 1.756 . 0 0 "[ . 1 ]" 1 477 1 15 A H61 1 16 G H1 4.505 4.405 4.605 4.372 4.369 4.375 0.036 1 0 "[ . 1 ]" 1 478 1 15 A H62 1 15 A H8 4.854 4.754 4.954 4.848 4.846 4.850 . 0 0 "[ . 1 ]" 1 479 1 15 A H8 1 16 G H8 4.786 4.686 4.886 4.777 4.759 4.800 . 0 0 "[ . 1 ]" 1 480 1 15 A HO2' 1 16 G H5' 2.942 2.842 3.042 2.911 2.874 2.945 . 0 0 "[ . 1 ]" 1 481 1 15 A HO2' 1 16 G H5'' 4.602 4.502 4.702 4.545 4.503 4.587 . 0 0 "[ . 1 ]" 1 482 1 15 A HO2' 1 16 G H8 4.547 4.447 4.647 4.633 4.614 4.648 0.001 5 0 "[ . 1 ]" 1 483 1 16 G H1 1 16 G H21 2.169 2.069 2.269 2.194 2.191 2.196 . 0 0 "[ . 1 ]" 1 484 1 16 G H1 1 16 G H22 3.479 3.379 3.579 3.453 3.452 3.454 . 0 0 "[ . 1 ]" 1 485 1 16 G H1 1 17 G H1 4.082 3.982 4.182 4.004 3.999 4.016 . 0 0 "[ . 1 ]" 1 486 1 16 G H1' 1 16 G H2' 2.805 2.705 2.905 2.805 2.802 2.807 . 0 0 "[ . 1 ]" 1 487 1 16 G H1' 1 16 G H22 4.774 4.674 4.874 4.722 4.717 4.725 . 0 0 "[ . 1 ]" 1 488 1 16 G H1' 1 16 G H3' 3.857 3.757 3.957 3.852 3.850 3.855 . 0 0 "[ . 1 ]" 1 489 1 16 G H1' 1 16 G H4' 3.398 3.298 3.498 3.354 3.343 3.363 . 0 0 "[ . 1 ]" 1 490 1 16 G H1' 1 16 G H5' 4.577 4.477 4.677 4.570 4.564 4.576 . 0 0 "[ . 1 ]" 1 491 1 16 G H1' 1 16 G H8 3.727 3.627 3.827 3.689 3.688 3.691 . 0 0 "[ . 1 ]" 1 492 1 16 G H1' 1 16 G HO2' 2.565 2.465 2.665 2.489 2.464 2.551 0.001 3 0 "[ . 1 ]" 1 493 1 16 G H1' 1 17 G H5' 4.677 4.577 4.777 4.618 4.608 4.636 . 0 0 "[ . 1 ]" 1 494 1 16 G H1' 1 17 G H8 4.319 4.219 4.419 4.451 4.448 4.452 0.033 8 0 "[ . 1 ]" 1 495 1 16 G H2' 1 16 G H22 4.701 4.601 4.801 4.768 4.764 4.774 . 0 0 "[ . 1 ]" 1 496 1 16 G H2' 1 16 G H3' 2.425 2.325 2.525 2.413 2.411 2.415 . 0 0 "[ . 1 ]" 1 497 1 16 G H2' 1 16 G H4' 3.813 3.713 3.913 3.793 3.789 3.797 . 0 0 "[ . 1 ]" 1 498 1 16 G H2' 1 16 G H8 4.149 4.049 4.249 4.041 4.038 4.043 0.011 7 0 "[ . 1 ]" 1 499 1 16 G H2' 1 16 G HO2' 2.947 2.847 3.047 2.861 2.859 2.862 . 0 0 "[ . 1 ]" 1 500 1 16 G H2' 1 17 G H1' 4.192 4.092 4.292 4.205 4.198 4.211 . 0 0 "[ . 1 ]" 1 501 1 16 G H2' 1 17 G H3' 4.263 4.163 4.363 4.240 4.232 4.249 . 0 0 "[ . 1 ]" 1 502 1 16 G H2' 1 17 G H4' 4.442 4.342 4.542 4.338 4.333 4.344 0.009 7 0 "[ . 1 ]" 1 503 1 16 G H2' 1 17 G H5' 2.891 2.791 2.991 2.848 2.840 2.854 . 0 0 "[ . 1 ]" 1 504 1 16 G H2' 1 17 G H5'' 4.268 4.168 4.368 4.197 4.193 4.202 . 0 0 "[ . 1 ]" 1 505 1 16 G H2' 1 17 G H8 1.673 . 1.773 1.840 1.837 1.843 0.070 2 0 "[ . 1 ]" 1 506 1 16 G H21 1 16 G H22 1.784 . 1.884 1.757 1.756 1.759 . 0 0 "[ . 1 ]" 1 507 1 16 G H21 1 17 G H1 4.790 4.690 4.890 4.888 4.879 4.895 0.005 7 0 "[ . 1 ]" 1 508 1 16 G H21 1 17 G H1' 4.205 4.105 4.305 4.078 4.074 4.082 0.031 7 0 "[ . 1 ]" 1 509 1 16 G H21 1 17 G H22 4.772 4.672 4.872 4.663 4.660 4.667 0.012 6 0 "[ . 1 ]" 1 510 1 16 G H22 1 17 G H1' 3.255 3.155 3.355 3.230 3.224 3.236 . 0 0 "[ . 1 ]" 1 511 1 16 G H22 1 17 G H8 4.875 4.775 4.975 4.994 4.990 4.998 0.023 5 0 "[ . 1 ]" 1 512 1 16 G H3' 1 16 G H4' 3.008 2.908 3.108 3.013 3.012 3.015 . 0 0 "[ . 1 ]" 1 513 1 16 G H3' 1 16 G H5' 3.687 3.587 3.787 3.698 3.695 3.701 . 0 0 "[ . 1 ]" 1 514 1 16 G H3' 1 16 G H5'' 3.086 2.986 3.186 3.091 3.074 3.104 . 0 0 "[ . 1 ]" 1 515 1 16 G H3' 1 16 G H8 3.196 3.096 3.296 3.084 3.081 3.088 0.015 2 0 "[ . 1 ]" 1 516 1 16 G H3' 1 16 G HO2' 3.597 3.497 3.697 3.575 3.547 3.587 . 0 0 "[ . 1 ]" 1 517 1 16 G H3' 1 17 G H5' 3.959 3.859 4.059 4.037 4.024 4.048 . 0 0 "[ . 1 ]" 1 518 1 16 G H3' 1 17 G H5'' 4.908 4.808 5.008 4.973 4.972 4.977 . 0 0 "[ . 1 ]" 1 519 1 16 G H3' 1 17 G H8 3.023 2.923 3.123 3.138 3.131 3.143 0.020 7 0 "[ . 1 ]" 1 520 1 16 G H4' 1 16 G H5' 2.534 2.434 2.634 2.512 2.506 2.517 . 0 0 "[ . 1 ]" 1 521 1 16 G H4' 1 16 G H5'' 2.370 2.270 2.470 2.347 2.343 2.352 . 0 0 "[ . 1 ]" 1 522 1 16 G H4' 1 16 G H8 4.409 4.309 4.509 4.335 4.327 4.343 . 0 0 "[ . 1 ]" 1 523 1 16 G H4' 1 16 G HO2' 2.044 . 2.144 2.092 2.071 2.110 . 0 0 "[ . 1 ]" 1 524 1 16 G H4' 1 17 G H5' 4.167 4.067 4.267 4.257 4.238 4.272 0.005 2 0 "[ . 1 ]" 1 525 1 16 G H5' 1 16 G H5'' 1.776 . 1.876 1.775 1.773 1.776 . 0 0 "[ . 1 ]" 1 526 1 16 G H5' 1 16 G H8 3.564 3.464 3.664 3.586 3.579 3.596 . 0 0 "[ . 1 ]" 1 527 1 16 G H5' 1 16 G HO2' 4.410 4.310 4.510 4.440 4.433 4.445 . 0 0 "[ . 1 ]" 1 528 1 16 G H5'' 1 16 G H8 4.368 4.268 4.468 4.342 4.318 4.366 . 0 0 "[ . 1 ]" 1 529 1 16 G H5'' 1 16 G HO2' 4.310 4.210 4.410 4.319 4.287 4.342 . 0 0 "[ . 1 ]" 1 530 1 16 G H8 1 17 G H8 4.797 4.697 4.897 4.743 4.737 4.751 . 0 0 "[ . 1 ]" 1 531 1 16 G HO2' 1 17 G H5' 2.941 2.841 3.041 2.910 2.871 2.936 . 0 0 "[ . 1 ]" 1 532 1 16 G HO2' 1 17 G H5'' 4.602 4.502 4.702 4.577 4.528 4.603 . 0 0 "[ . 1 ]" 1 533 1 16 G HO2' 1 17 G H8 4.547 4.447 4.647 4.644 4.635 4.649 0.002 2 0 "[ . 1 ]" 1 534 1 17 G H1 1 17 G H21 2.168 2.068 2.268 2.204 2.202 2.206 . 0 0 "[ . 1 ]" 1 535 1 17 G H1 1 17 G H22 3.479 3.379 3.579 3.464 3.462 3.465 . 0 0 "[ . 1 ]" 1 536 1 17 G H1' 1 17 G H2' 2.805 2.705 2.905 2.820 2.819 2.822 . 0 0 "[ . 1 ]" 1 537 1 17 G H1' 1 17 G H22 4.775 4.675 4.875 4.720 4.717 4.724 . 0 0 "[ . 1 ]" 1 538 1 17 G H1' 1 17 G H3' 3.857 3.757 3.957 3.861 3.857 3.864 . 0 0 "[ . 1 ]" 1 539 1 17 G H1' 1 17 G H4' 3.397 3.297 3.497 3.313 3.308 3.316 . 0 0 "[ . 1 ]" 1 540 1 17 G H1' 1 17 G H5' 4.577 4.477 4.677 4.566 4.562 4.570 . 0 0 "[ . 1 ]" 1 541 1 17 G H1' 1 17 G H8 3.727 3.627 3.827 3.696 3.694 3.698 . 0 0 "[ . 1 ]" 1 542 1 17 G H1' 1 17 G HO2' 2.565 2.465 2.665 2.514 2.464 2.596 0.001 3 0 "[ . 1 ]" 1 543 1 17 G H2' 1 17 G H22 4.701 4.601 4.801 4.820 4.817 4.822 0.021 11 0 "[ . 1 ]" 1 544 1 17 G H2' 1 17 G H3' 2.425 2.325 2.525 2.409 2.408 2.410 . 0 0 "[ . 1 ]" 1 545 1 17 G H2' 1 17 G H4' 3.813 3.713 3.913 3.801 3.799 3.804 . 0 0 "[ . 1 ]" 1 546 1 17 G H2' 1 17 G H8 4.150 4.050 4.250 4.016 4.015 4.018 0.035 8 0 "[ . 1 ]" 1 547 1 17 G H2' 1 17 G HO2' 2.947 2.847 3.047 2.860 2.854 2.863 . 0 0 "[ . 1 ]" 1 548 1 17 G H21 1 17 G H22 1.784 . 1.884 1.753 1.751 1.754 . 0 0 "[ . 1 ]" 1 549 1 17 G H3' 1 17 G H4' 3.007 2.907 3.107 3.011 3.011 3.013 . 0 0 "[ . 1 ]" 1 550 1 17 G H3' 1 17 G H5' 3.687 3.587 3.787 3.704 3.702 3.706 . 0 0 "[ . 1 ]" 1 551 1 17 G H3' 1 17 G H5'' 3.085 2.985 3.185 3.054 3.046 3.060 . 0 0 "[ . 1 ]" 1 552 1 17 G H3' 1 17 G H8 3.196 3.096 3.296 3.122 3.112 3.133 . 0 0 "[ . 1 ]" 1 553 1 17 G H3' 1 17 G HO2' 3.596 3.496 3.696 3.551 3.514 3.575 . 0 0 "[ . 1 ]" 1 554 1 17 G H4' 1 17 G H5' 2.534 2.434 2.634 2.494 2.492 2.497 . 0 0 "[ . 1 ]" 1 555 1 17 G H4' 1 17 G H5'' 2.370 2.270 2.470 2.363 2.361 2.366 . 0 0 "[ . 1 ]" 1 556 1 17 G H4' 1 17 G H8 4.410 4.310 4.510 4.365 4.361 4.370 . 0 0 "[ . 1 ]" 1 557 1 17 G H4' 1 17 G HO2' 2.043 . 2.143 2.098 2.076 2.115 . 0 0 "[ . 1 ]" 1 558 1 17 G H5' 1 17 G H5'' 1.776 . 1.876 1.774 1.773 1.776 . 0 0 "[ . 1 ]" 1 559 1 17 G H5' 1 17 G H8 3.564 3.464 3.664 3.675 3.670 3.677 0.013 2 0 "[ . 1 ]" 1 560 1 17 G H5' 1 17 G HO2' 4.409 4.309 4.509 4.457 4.451 4.461 . 0 0 "[ . 1 ]" 1 561 1 17 G H5'' 1 17 G H8 4.368 4.268 4.468 4.386 4.377 4.397 . 0 0 "[ . 1 ]" 1 562 1 17 G H5'' 1 17 G HO2' 4.309 4.209 4.409 4.313 4.270 4.339 . 0 0 "[ . 1 ]" 1 stop_ save_
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