NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
450754 | 2rn1 | 11014 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rn1 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 444 _Distance_constraint_stats_list.Viol_count 1162 _Distance_constraint_stats_list.Viol_total 7971.167 _Distance_constraint_stats_list.Viol_max 2.393 _Distance_constraint_stats_list.Viol_rms 0.2229 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0621 _Distance_constraint_stats_list.Viol_average_violations_only 0.4035 _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 G 8.435 0.937 11 9 "[-* *.** 1+ * ** ]" 1 2 A 16.357 0.783 11 11 "[****. **-+ ** *]" 1 3 G 56.147 2.393 10 17 [********-+*******] 1 4 C 72.359 2.393 10 17 [********-+*******] 1 5 C 31.269 1.592 17 17 [****************+] 1 6 C 4.495 0.561 14 5 "[* .- 1 *+.* ]" 1 7 U 8.477 0.706 6 4 "[ * .+*- 1 . ]" 1 8 G 13.476 0.854 6 10 "[** *.+****- *. ]" 1 9 G 35.280 1.684 12 17 [**********-+*****] 1 10 G 46.161 1.684 12 17 [**-********+*****] 1 11 A 37.960 1.540 10 17 [-********+*******] 1 12 G 26.231 0.791 3 12 "[-*+ **** 1***** ]" 1 13 G 17.896 0.791 3 4 "[ *+ . - 1 * . ]" 1 14 C 10.963 0.875 8 9 "[ - *** +** ** ]" 1 15 U 22.848 0.987 13 14 "[ *-******* +****]" 1 16 C 16.488 0.987 13 7 "[ - * * * + .**]" 2 1 G 7.780 0.904 14 9 "[ **** - 1 *+** ]" 2 2 C 43.514 1.749 6 17 [*-***+***********] 2 3 U 42.881 1.749 6 17 [*-***+***********] 2 4 G 19.157 0.638 7 4 "[ .*+ *1 -. ]" 2 5 G 5.251 0.369 9 0 "[ . 1 . ]" 2 6 U 9.950 0.793 7 10 "[** * + *1* *-* *]" 2 7 C 24.023 1.171 5 12 "[****+ ***** **. ]" 2 8 C 28.837 1.171 5 12 "[****+ -**** **. ]" 2 9 C 13.986 0.881 9 11 "[***-. * +** **.* ]" 2 10 A 21.112 0.881 9 9 "[ **-. * +* **.* ]" 2 11 G 14.763 0.649 17 7 "[ . * -* **.*+]" 2 12 A 46.066 0.863 5 17 [****+********-***] 2 13 C 23.142 0.863 5 13 "[* * +*** 1***-***]" 2 14 A 22.270 0.705 14 10 "[ ** .** ** *+- *]" 2 15 G 52.329 1.888 2 17 [*+***************] 2 16 C 44.576 1.888 2 17 [*+******-********] 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 G H1 1 16 C N3 1.900 . 2.000 1.891 1.889 1.892 . 0 0 "[ . 1 . ]" 1 2 1 1 G H1' 1 1 G H3' 1.800 . 4.000 3.794 3.793 3.797 . 0 0 "[ . 1 . ]" 1 3 1 1 G H1' 1 1 G H8 1.800 . 4.000 3.401 3.394 3.408 . 0 0 "[ . 1 . ]" 1 4 1 1 G H1' 1 1 G HO2' 1.800 . 4.000 2.602 1.953 3.336 . 0 0 "[ . 1 . ]" 1 5 1 1 G H1' 1 2 A H8 2.000 . 5.000 4.836 4.811 4.853 . 0 0 "[ . 1 . ]" 1 6 1 1 G H21 1 16 C N3 3.000 2.900 3.100 3.005 3.004 3.006 . 0 0 "[ . 1 . ]" 1 7 1 1 G H21 1 16 C O2 2.100 . 2.200 2.097 2.095 2.100 . 0 0 "[ . 1 . ]" 1 8 1 1 G H3' 1 1 G H8 1.800 . 4.000 3.994 3.960 4.023 0.023 16 0 "[ . 1 . ]" 1 9 1 1 G H3' 1 2 A H8 1.800 . 4.000 3.238 3.221 3.276 . 0 0 "[ . 1 . ]" 1 10 1 1 G H8 1 1 G HO2' 2.000 . 5.000 5.484 5.085 5.937 0.937 11 9 "[-* *.** 1+ * ** ]" 1 11 1 1 G HO2' 1 2 A H8 1.800 . 4.000 3.385 2.622 4.067 0.067 10 0 "[ . 1 . ]" 1 12 1 1 G O6 1 16 C H41 1.700 . 1.800 1.711 1.710 1.712 . 0 0 "[ . 1 . ]" 1 13 1 2 A H1' 1 2 A H4' 1.800 . 4.000 3.427 3.423 3.435 . 0 0 "[ . 1 . ]" 1 14 1 2 A H1' 1 2 A H8 1.800 . 4.000 3.578 3.576 3.579 . 0 0 "[ . 1 . ]" 1 15 1 2 A H1' 1 2 A HO2' 1.800 . 4.000 2.771 1.980 3.400 . 0 0 "[ . 1 . ]" 1 16 1 2 A H1' 1 3 G H1' 3.000 3.000 6.000 5.395 5.378 5.448 . 0 0 "[ . 1 . ]" 1 17 1 2 A H1' 1 3 G H8 3.000 3.000 6.000 4.396 4.380 4.479 . 0 0 "[ . 1 . ]" 1 18 1 2 A H2 1 3 G H1 3.000 3.000 6.000 5.784 5.762 5.806 . 0 0 "[ . 1 . ]" 1 19 1 2 A H2 1 3 G H1' 2.000 . 5.000 2.580 2.554 2.620 . 0 0 "[ . 1 . ]" 1 20 1 2 A H2 1 3 G H8 3.000 3.000 6.000 4.418 4.396 4.470 . 0 0 "[ . 1 . ]" 1 21 1 2 A H2 1 15 U H1' 3.000 3.000 7.000 5.342 5.338 5.348 . 0 0 "[ . 1 . ]" 1 22 1 2 A H2 1 15 U H3 2.900 2.800 3.000 2.899 2.897 2.900 . 0 0 "[ . 1 . ]" 1 23 1 2 A H2 1 15 U O2 3.200 3.100 3.300 3.192 3.189 3.194 . 0 0 "[ . 1 . ]" 1 24 1 2 A H2 1 16 C H1' 2.000 . 5.000 4.508 4.482 4.533 . 0 0 "[ . 1 . ]" 1 25 1 2 A H2 1 16 C H6 3.000 3.000 7.000 6.701 6.684 6.725 . 0 0 "[ . 1 . ]" 1 26 1 2 A H3' 1 2 A H8 1.800 . 4.000 3.168 3.165 3.172 . 0 0 "[ . 1 . ]" 1 27 1 2 A H3' 1 3 G H8 1.800 . 4.000 2.307 2.295 2.351 . 0 0 "[ . 1 . ]" 1 28 1 2 A H61 1 15 U O4 1.800 . 1.900 1.814 1.813 1.816 . 0 0 "[ . 1 . ]" 1 29 1 2 A H8 1 2 A HO2' 2.000 . 5.000 5.490 4.913 5.783 0.783 11 11 "[****. **-+ ** *]" 1 30 1 2 A H8 1 16 C H1' 3.000 3.000 8.000 8.460 8.446 8.468 0.468 7 0 "[ . 1 . ]" 1 31 1 2 A HO2' 1 3 G H8 2.000 . 5.000 4.472 4.221 4.907 . 0 0 "[ . 1 . ]" 1 32 1 2 A N1 1 15 U H3 1.900 . 2.000 1.902 1.900 1.903 . 0 0 "[ . 1 . ]" 1 33 1 3 G H1 1 13 G H1 4.000 3.000 5.000 4.077 4.044 4.112 . 0 0 "[ . 1 . ]" 1 34 1 3 G H1 1 14 C H41 2.000 . 5.000 2.484 2.481 2.486 . 0 0 "[ . 1 . ]" 1 35 1 3 G H1 1 14 C H42 3.000 3.000 6.000 3.965 3.962 3.968 . 0 0 "[ . 1 . ]" 1 36 1 3 G H1 1 14 C N3 1.900 . 2.000 1.899 1.896 1.908 . 0 0 "[ . 1 . ]" 1 37 1 3 G H1 1 15 U H3 4.000 3.000 5.000 4.954 4.908 5.045 0.045 11 0 "[ . 1 . ]" 1 38 1 3 G H1' 1 3 G H3' 1.800 . 4.000 3.745 3.742 3.755 . 0 0 "[ . 1 . ]" 1 39 1 3 G H1' 1 3 G H8 1.800 . 4.000 3.473 3.467 3.495 . 0 0 "[ . 1 . ]" 1 40 1 3 G H1' 1 3 G HO2' 1.800 . 4.000 2.750 1.922 3.381 . 0 0 "[ . 1 . ]" 1 41 1 3 G H1' 1 4 C H5 3.000 3.000 6.000 5.571 5.390 5.639 . 0 0 "[ . 1 . ]" 1 42 1 3 G H1' 1 4 C H6 2.000 . 5.000 5.141 5.089 5.187 0.187 17 0 "[ . 1 . ]" 1 43 1 3 G H21 1 14 C N3 3.000 2.900 3.100 2.998 2.997 3.001 . 0 0 "[ . 1 . ]" 1 44 1 3 G H21 1 14 C O2 2.100 . 2.200 2.099 2.097 2.100 . 0 0 "[ . 1 . ]" 1 45 1 3 G H3' 1 3 G H8 1.800 . 4.000 3.525 3.484 3.536 . 0 0 "[ . 1 . ]" 1 46 1 3 G H3' 1 4 C H6 2.000 . 5.000 3.708 3.643 3.730 . 0 0 "[ . 1 . ]" 1 47 1 3 G H8 1 3 G HO2' 2.000 . 5.000 5.428 5.032 5.805 0.805 4 7 "[ +* *-1* .**]" 1 48 1 3 G H8 1 4 C H5 3.000 3.000 6.000 5.134 5.042 5.163 . 0 0 "[ . 1 . ]" 1 49 1 3 G H8 1 4 C H6 3.000 3.000 6.000 6.078 6.055 6.118 0.118 15 0 "[ . 1 . ]" 1 50 1 3 G HO2' 1 4 C H5 1.800 . 4.000 6.027 5.328 6.393 2.393 10 17 [*********+-******] 1 51 1 3 G HO2' 1 4 C H6 1.800 . 4.000 4.600 3.803 5.146 1.146 10 11 "[*** .** -+ **** ]" 1 52 1 3 G O6 1 14 C H41 1.700 . 1.800 1.695 1.691 1.697 . 0 0 "[ . 1 . ]" 1 53 1 4 C H1' 1 4 C H6 1.800 . 4.000 3.613 3.606 3.619 . 0 0 "[ . 1 . ]" 1 54 1 4 C H1' 1 4 C HO2' 1.800 . 4.000 3.047 2.398 3.405 . 0 0 "[ . 1 . ]" 1 55 1 4 C H1' 1 5 C H1' 3.000 3.000 6.000 5.297 5.203 5.353 . 0 0 "[ . 1 . ]" 1 56 1 4 C H1' 1 5 C H5 3.000 3.000 6.000 5.663 5.606 5.710 . 0 0 "[ . 1 . ]" 1 57 1 4 C H1' 1 5 C H6 2.000 . 5.000 4.696 4.673 4.729 . 0 0 "[ . 1 . ]" 1 58 1 4 C H3' 1 5 C H6 2.000 . 5.000 3.092 3.036 3.143 . 0 0 "[ . 1 . ]" 1 59 1 4 C H41 1 13 G H1 2.000 . 5.000 2.617 2.602 2.641 . 0 0 "[ . 1 . ]" 1 60 1 4 C H41 1 13 G O6 1.700 . 1.800 1.710 1.708 1.714 . 0 0 "[ . 1 . ]" 1 61 1 4 C H42 1 13 G H1 3.000 3.000 6.000 3.999 3.989 4.012 . 0 0 "[ . 1 . ]" 1 62 1 4 C H5 1 5 C H5 2.000 . 5.000 3.528 3.433 3.611 . 0 0 "[ . 1 . ]" 1 63 1 4 C H5 1 5 C H6 3.000 3.000 6.000 5.197 5.077 5.312 . 0 0 "[ . 1 . ]" 1 64 1 4 C H5 1 13 G H1 3.000 3.000 6.000 4.920 4.887 4.939 . 0 0 "[ . 1 . ]" 1 65 1 4 C H6 1 5 C H5 3.000 3.000 6.000 4.008 3.963 4.050 . 0 0 "[ . 1 . ]" 1 66 1 4 C H6 1 5 C H6 3.000 3.000 6.000 4.534 4.432 4.633 . 0 0 "[ . 1 . ]" 1 67 1 4 C HO2' 1 5 C H5 2.000 . 5.000 6.142 5.971 6.592 1.592 17 17 [*******-********+] 1 68 1 4 C HO2' 1 5 C H6 1.800 . 4.000 4.222 3.919 4.996 0.996 17 4 "[ * . - 1* . +]" 1 69 1 4 C N3 1 13 G H1 1.900 . 2.000 1.906 1.902 1.909 . 0 0 "[ . 1 . ]" 1 70 1 4 C N3 1 13 G H21 3.000 2.900 3.100 3.013 3.010 3.014 . 0 0 "[ . 1 . ]" 1 71 1 4 C O2 1 13 G H21 2.100 . 2.200 2.094 2.089 2.097 . 0 0 "[ . 1 . ]" 1 72 1 5 C H1' 1 5 C H3' 1.800 . 4.000 3.793 3.792 3.795 . 0 0 "[ . 1 . ]" 1 73 1 5 C H1' 1 5 C H4' 1.800 . 4.000 3.185 3.172 3.207 . 0 0 "[ . 1 . ]" 1 74 1 5 C H1' 1 5 C H5 3.000 3.000 6.000 5.286 5.279 5.293 . 0 0 "[ . 1 . ]" 1 75 1 5 C H1' 1 5 C H6 1.800 . 4.000 3.522 3.510 3.533 . 0 0 "[ . 1 . ]" 1 76 1 5 C H1' 1 5 C HO2' 1.800 . 4.000 2.610 1.907 3.382 . 0 0 "[ . 1 . ]" 1 77 1 5 C H1' 1 13 G H1' 3.000 3.000 7.000 7.221 7.174 7.308 0.308 7 0 "[ . 1 . ]" 1 78 1 5 C H1' 2 6 U H6 3.000 3.000 6.000 4.477 4.410 4.553 . 0 0 "[ . 1 . ]" 1 79 1 5 C H3' 1 5 C H6 1.800 . 4.000 2.919 2.876 2.963 . 0 0 "[ . 1 . ]" 1 80 1 5 C H41 1 12 G O6 1.700 . 1.800 1.716 1.714 1.718 . 0 0 "[ . 1 . ]" 1 81 1 5 C H6 1 5 C HO2' 2.000 . 5.000 5.196 4.802 5.534 0.534 12 2 "[ . 1 + . -]" 1 82 1 5 C HO2' 2 6 U H6 2.000 . 5.000 2.902 2.022 3.768 . 0 0 "[ . 1 . ]" 1 83 1 5 C N3 1 12 G H1 1.900 . 2.000 1.894 1.890 1.896 . 0 0 "[ . 1 . ]" 1 84 1 5 C N3 1 12 G H21 3.000 2.900 3.100 3.017 3.015 3.019 . 0 0 "[ . 1 . ]" 1 85 1 5 C O2 1 12 G H21 2.100 . 2.200 2.100 2.095 2.107 . 0 0 "[ . 1 . ]" 1 86 1 6 C H1' 1 6 C H6 2.000 . 5.000 3.504 3.499 3.514 . 0 0 "[ . 1 . ]" 1 87 1 6 C H1' 1 6 C HO2' 1.800 . 4.000 2.667 1.900 3.347 . 0 0 "[ . 1 . ]" 1 88 1 6 C H1' 1 7 U H5 3.000 3.000 6.000 5.501 5.463 5.548 . 0 0 "[ . 1 . ]" 1 89 1 6 C H1' 1 7 U H6 3.000 3.000 6.000 4.983 4.966 4.996 . 0 0 "[ . 1 . ]" 1 90 1 6 C H1' 2 12 A H2 2.000 . 5.000 2.861 2.778 2.917 . 0 0 "[ . 1 . ]" 1 91 1 6 C H3' 1 7 U H6 3.000 3.000 6.000 2.970 2.957 2.980 0.043 10 0 "[ . 1 . ]" 1 92 1 6 C H41 2 11 G O6 1.700 . 1.800 1.739 1.737 1.742 . 0 0 "[ . 1 . ]" 1 93 1 6 C H5 1 7 U H3 3.000 3.000 7.000 6.498 6.445 6.564 . 0 0 "[ . 1 . ]" 1 94 1 6 C H5 1 7 U H5 3.000 3.000 6.000 4.042 4.003 4.070 . 0 0 "[ . 1 . ]" 1 95 1 6 C H5 2 5 G H1' 3.000 3.000 6.000 5.839 5.667 5.977 . 0 0 "[ . 1 . ]" 1 96 1 6 C H5 2 5 G H2' 3.000 3.000 6.000 4.454 4.259 4.597 . 0 0 "[ . 1 . ]" 1 97 1 6 C H5 2 5 G H8 3.000 3.000 6.000 4.831 4.692 4.997 . 0 0 "[ . 1 . ]" 1 98 1 6 C H6 1 6 C HO2' 2.000 . 5.000 5.193 4.859 5.561 0.561 14 5 "[* .- 1 *+.* ]" 1 99 1 6 C H6 1 7 U H5 3.000 3.000 6.000 4.086 4.062 4.122 . 0 0 "[ . 1 . ]" 1 100 1 6 C H6 2 5 G H1' 3.000 3.000 6.000 3.986 3.861 4.078 . 0 0 "[ . 1 . ]" 1 101 1 6 C H6 2 5 G HO2' 3.000 3.000 6.000 4.270 4.095 4.494 . 0 0 "[ . 1 . ]" 1 102 1 6 C H6 2 12 A H2 3.000 3.000 6.000 5.814 5.748 5.870 . 0 0 "[ . 1 . ]" 1 103 1 6 C HO2' 1 7 U H6 2.000 . 5.000 4.295 3.635 4.846 . 0 0 "[ . 1 . ]" 1 104 1 6 C N3 2 11 G H1 1.900 . 2.000 1.844 1.840 1.848 . 0 0 "[ . 1 . ]" 1 105 1 6 C N3 2 11 G H21 3.000 2.900 3.100 3.000 2.999 3.002 . 0 0 "[ . 1 . ]" 1 106 1 6 C O2 2 11 G H21 2.100 . 2.200 2.121 2.118 2.125 . 0 0 "[ . 1 . ]" 1 107 1 7 U H1' 1 7 U H5 3.000 3.000 6.000 5.329 5.325 5.334 . 0 0 "[ . 1 . ]" 1 108 1 7 U H1' 1 7 U H6 1.800 . 4.000 3.576 3.571 3.583 . 0 0 "[ . 1 . ]" 1 109 1 7 U H1' 1 7 U HO2' 1.800 . 4.000 2.876 1.911 3.389 . 0 0 "[ . 1 . ]" 1 110 1 7 U H1' 1 8 G H1' 3.000 3.000 7.000 6.540 6.479 6.587 . 0 0 "[ . 1 . ]" 1 111 1 7 U H1' 1 8 G H8 2.000 . 5.000 4.952 4.931 4.961 . 0 0 "[ . 1 . ]" 1 112 1 7 U H3 1 8 G H1 4.000 3.000 5.000 4.288 4.250 4.338 . 0 0 "[ . 1 . ]" 1 113 1 7 U H3 2 10 A H2 2.900 2.800 3.000 2.898 2.897 2.900 . 0 0 "[ . 1 . ]" 1 114 1 7 U H3 2 10 A N1 1.900 . 2.000 1.879 1.876 1.884 . 0 0 "[ . 1 . ]" 1 115 1 7 U H3 2 11 G H1 4.000 3.000 5.000 3.691 3.649 3.736 . 0 0 "[ . 1 . ]" 1 116 1 7 U H3' 1 7 U H6 1.800 . 4.000 2.695 2.658 2.718 . 0 0 "[ . 1 . ]" 1 117 1 7 U H3' 1 8 G H8 2.000 . 5.000 2.929 2.874 2.962 . 0 0 "[ . 1 . ]" 1 118 1 7 U H5 1 8 G H8 3.000 3.000 6.000 5.976 5.920 6.007 0.007 11 0 "[ . 1 . ]" 1 119 1 7 U H5 2 8 C H6 3.000 3.000 8.000 8.302 8.274 8.345 0.345 12 0 "[ . 1 . ]" 1 120 1 7 U H5 2 9 C H5 3.000 3.000 8.000 7.694 7.614 7.810 . 0 0 "[ . 1 . ]" 1 121 1 7 U HO2' 1 8 G H8 1.800 . 4.000 3.843 3.436 4.706 0.706 6 4 "[ * .+*- 1 . ]" 1 122 1 7 U O2 2 10 A H2 3.200 3.100 3.300 3.208 3.205 3.211 . 0 0 "[ . 1 . ]" 1 123 1 7 U O4 2 10 A H61 1.800 . 1.900 1.808 1.805 1.810 . 0 0 "[ . 1 . ]" 1 124 1 8 G H1 1 9 G H1 4.000 3.000 5.000 3.769 3.739 3.811 . 0 0 "[ . 1 . ]" 1 125 1 8 G H1 1 9 G H1' 3.000 3.000 6.000 5.772 5.714 5.839 . 0 0 "[ . 1 . ]" 1 126 1 8 G H1 2 9 C H41 2.000 . 5.000 2.505 2.501 2.512 . 0 0 "[ . 1 . ]" 1 127 1 8 G H1 2 9 C H42 3.000 3.000 6.000 4.002 3.999 4.006 . 0 0 "[ . 1 . ]" 1 128 1 8 G H1 2 9 C H6 3.000 3.000 6.000 5.679 5.677 5.684 . 0 0 "[ . 1 . ]" 1 129 1 8 G H1 2 9 C N3 1.900 . 2.000 1.859 1.857 1.862 . 0 0 "[ . 1 . ]" 1 130 1 8 G H1 2 10 A H1' 3.000 3.000 6.000 5.099 4.964 5.198 . 0 0 "[ . 1 . ]" 1 131 1 8 G H1 2 10 A H2 3.000 3.000 6.000 4.191 4.148 4.235 . 0 0 "[ . 1 . ]" 1 132 1 8 G H1' 1 8 G H3' 1.800 . 4.000 3.786 3.784 3.787 . 0 0 "[ . 1 . ]" 1 133 1 8 G H1' 1 8 G H4' 1.800 . 4.000 3.432 3.425 3.442 . 0 0 "[ . 1 . ]" 1 134 1 8 G H1' 1 8 G H8 1.800 . 4.000 3.746 3.744 3.747 . 0 0 "[ . 1 . ]" 1 135 1 8 G H1' 1 8 G HO2' 1.800 . 4.000 2.428 1.956 3.206 . 0 0 "[ . 1 . ]" 1 136 1 8 G H1' 1 9 G H1' 3.000 3.000 6.000 5.832 5.812 5.854 . 0 0 "[ . 1 . ]" 1 137 1 8 G H1' 1 9 G H8 3.000 3.000 6.000 4.867 4.848 4.891 . 0 0 "[ . 1 . ]" 1 138 1 8 G H1' 2 10 A H2 3.000 3.000 7.000 4.962 4.937 4.984 . 0 0 "[ . 1 . ]" 1 139 1 8 G H21 2 9 C N3 3.000 2.900 3.100 3.004 3.002 3.005 . 0 0 "[ . 1 . ]" 1 140 1 8 G H21 2 9 C O2 2.100 . 2.200 2.122 2.121 2.123 . 0 0 "[ . 1 . ]" 1 141 1 8 G H3' 1 8 G H8 1.800 . 4.000 2.583 2.575 2.593 . 0 0 "[ . 1 . ]" 1 142 1 8 G H3' 1 9 G H8 2.000 . 5.000 2.739 2.719 2.766 . 0 0 "[ . 1 . ]" 1 143 1 8 G H8 1 8 G HO2' 2.000 . 5.000 5.157 4.860 5.459 0.459 12 0 "[ . 1 . ]" 1 144 1 8 G H8 1 9 G H8 3.000 3.000 6.000 4.612 4.572 4.643 . 0 0 "[ . 1 . ]" 1 145 1 8 G H8 2 10 A H2 3.000 3.000 7.000 6.132 6.038 6.205 . 0 0 "[ . 1 . ]" 1 146 1 8 G HO2' 1 9 G H8 1.800 . 4.000 4.442 3.936 4.854 0.854 6 8 "[** *.+ **- *. ]" 1 147 1 8 G O6 2 9 C H41 1.700 . 1.800 1.718 1.716 1.719 . 0 0 "[ . 1 . ]" 1 148 1 9 G H1 1 10 G H1 3.000 . 4.500 4.072 3.970 4.158 . 0 0 "[ . 1 . ]" 1 149 1 9 G H1 2 8 C N3 1.900 . 2.000 1.868 1.866 1.870 . 0 0 "[ . 1 . ]" 1 150 1 9 G H1' 1 9 G H8 1.800 . 4.000 3.767 3.766 3.769 . 0 0 "[ . 1 . ]" 1 151 1 9 G H1' 1 9 G HO2' 1.800 . 4.000 2.711 1.957 3.328 . 0 0 "[ . 1 . ]" 1 152 1 9 G H1' 1 10 G H8 3.000 3.000 6.000 5.276 5.180 5.376 . 0 0 "[ . 1 . ]" 1 153 1 9 G H1' 2 10 A H1' 3.000 3.000 8.000 8.179 8.156 8.196 0.196 15 0 "[ . 1 . ]" 1 154 1 9 G H21 2 8 C N3 3.000 2.900 3.100 3.005 3.005 3.006 . 0 0 "[ . 1 . ]" 1 155 1 9 G H21 2 8 C O2 2.100 . 2.200 2.106 2.103 2.108 . 0 0 "[ . 1 . ]" 1 156 1 9 G H3' 1 9 G H8 1.800 . 4.000 2.414 2.407 2.426 . 0 0 "[ . 1 . ]" 1 157 1 9 G H3' 1 10 G H8 2.000 . 5.000 3.507 3.459 3.552 . 0 0 "[ . 1 . ]" 1 158 1 9 G H8 1 9 G HO2' 2.000 . 5.000 5.162 4.917 5.431 0.431 16 0 "[ . 1 . ]" 1 159 1 9 G H8 1 10 G H8 2.000 . 5.000 4.517 4.382 4.645 . 0 0 "[ . 1 . ]" 1 160 1 9 G HO2' 1 10 G H8 1.800 . 4.000 5.272 4.876 5.684 1.684 12 17 [*******-***+*****] 1 161 1 9 G O6 2 8 C H41 1.700 . 1.800 1.714 1.712 1.716 . 0 0 "[ . 1 . ]" 1 162 1 10 G H1 1 11 A H1' 3.000 3.000 6.000 4.665 4.593 4.783 . 0 0 "[ . 1 . ]" 1 163 1 10 G H1 2 7 C H5 3.000 3.000 6.000 4.998 4.981 5.007 . 0 0 "[ . 1 . ]" 1 164 1 10 G H1 2 7 C H6 3.000 3.000 6.000 5.672 5.659 5.678 . 0 0 "[ . 1 . ]" 1 165 1 10 G H1 2 7 C N3 1.900 . 2.000 1.860 1.857 1.863 . 0 0 "[ . 1 . ]" 1 166 1 10 G H1' 1 10 G H8 1.800 . 4.000 3.759 3.757 3.763 . 0 0 "[ . 1 . ]" 1 167 1 10 G H1' 1 10 G HO2' 1.800 . 4.000 2.325 1.871 3.159 . 0 0 "[ . 1 . ]" 1 168 1 10 G H1' 1 11 A H1' 3.000 3.000 6.000 5.202 5.178 5.229 . 0 0 "[ . 1 . ]" 1 169 1 10 G H1' 1 11 A H8 2.000 . 5.000 5.138 5.114 5.183 0.183 3 0 "[ . 1 . ]" 1 170 1 10 G H21 2 7 C N3 3.000 2.900 3.100 2.997 2.996 2.999 . 0 0 "[ . 1 . ]" 1 171 1 10 G H21 2 7 C O2 2.100 . 2.200 2.124 2.121 2.126 . 0 0 "[ . 1 . ]" 1 172 1 10 G H3' 1 11 A H8 2.000 . 5.000 3.657 3.641 3.677 . 0 0 "[ . 1 . ]" 1 173 1 10 G H8 1 11 A H8 3.000 3.000 6.000 4.243 4.216 4.292 . 0 0 "[ . 1 . ]" 1 174 1 10 G HO2' 1 11 A H8 1.800 . 4.000 5.305 4.638 5.540 1.540 10 17 [**-******+*******] 1 175 1 10 G O6 2 7 C H41 1.700 . 1.800 1.724 1.721 1.726 . 0 0 "[ . 1 . ]" 1 176 1 11 A H1' 1 11 A H2 3.000 3.000 6.000 4.712 4.700 4.718 . 0 0 "[ . 1 . ]" 1 177 1 11 A H1' 1 11 A H8 1.800 . 4.000 3.722 3.718 3.729 . 0 0 "[ . 1 . ]" 1 178 1 11 A H1' 1 12 G H8 2.000 . 5.000 5.108 5.029 5.190 0.190 17 0 "[ . 1 . ]" 1 179 1 11 A H2 1 12 G H1' 2.000 . 5.000 3.210 2.986 3.382 . 0 0 "[ . 1 . ]" 1 180 1 11 A H2 1 12 G H8 3.000 3.000 6.000 5.533 5.327 5.708 . 0 0 "[ . 1 . ]" 1 181 1 11 A H2 1 13 G H8 4.000 4.000 7.000 7.198 7.134 7.243 0.243 8 0 "[ . 1 . ]" 1 182 1 11 A H2 2 6 U H3 2.900 2.800 3.000 2.892 2.888 2.894 . 0 0 "[ . 1 . ]" 1 183 1 11 A H2 2 6 U O2 3.200 3.100 3.300 3.205 3.201 3.209 . 0 0 "[ . 1 . ]" 1 184 1 11 A H2 2 7 C H1' 4.000 4.000 7.000 3.936 3.907 3.962 0.093 12 0 "[ . 1 . ]" 1 185 1 11 A H2 2 7 C H5 3.000 3.000 6.000 5.555 5.426 5.648 . 0 0 "[ . 1 . ]" 1 186 1 11 A H2 2 7 C H6 4.000 4.000 7.000 5.388 5.297 5.455 . 0 0 "[ . 1 . ]" 1 187 1 11 A H3' 1 12 G H8 2.000 . 5.000 3.948 3.827 4.068 . 0 0 "[ . 1 . ]" 1 188 1 11 A H61 2 6 U O4 1.800 . 1.900 1.817 1.815 1.818 . 0 0 "[ . 1 . ]" 1 189 1 11 A H8 1 12 G H8 4.000 4.000 7.000 3.905 3.879 3.921 0.121 3 0 "[ . 1 . ]" 1 190 1 11 A HO2' 1 12 G H8 2.000 . 5.000 5.240 4.618 5.752 0.752 3 7 "[- + *** 1 * * ]" 1 191 1 11 A N1 2 6 U H3 1.900 . 2.000 1.882 1.878 1.885 . 0 0 "[ . 1 . ]" 1 192 1 12 G H1 1 13 G H1 3.000 . 4.500 3.893 3.850 3.930 . 0 0 "[ . 1 . ]" 1 193 1 12 G H1' 1 12 G H3' 1.800 . 4.000 3.790 3.787 3.792 . 0 0 "[ . 1 . ]" 1 194 1 12 G H1' 1 12 G H8 1.800 . 4.000 3.598 3.578 3.623 . 0 0 "[ . 1 . ]" 1 195 1 12 G H1' 1 12 G HO2' 1.800 . 4.000 2.656 1.956 3.330 . 0 0 "[ . 1 . ]" 1 196 1 12 G H1' 1 13 G H8 2.000 . 5.000 4.746 4.716 4.788 . 0 0 "[ . 1 . ]" 1 197 1 12 G H3' 1 12 G H8 1.800 . 4.000 3.274 3.180 3.343 . 0 0 "[ . 1 . ]" 1 198 1 12 G H3' 1 13 G H8 1.800 . 4.000 3.348 3.282 3.401 . 0 0 "[ . 1 . ]" 1 199 1 12 G H8 1 12 G HO2' 2.000 . 5.000 5.389 5.036 5.687 0.687 13 6 "[- . * 1* +** ]" 1 200 1 12 G H8 1 13 G H8 2.000 . 5.000 5.363 5.305 5.416 0.416 4 0 "[ . 1 . ]" 1 201 1 12 G HO2' 1 13 G H8 1.800 . 4.000 4.190 3.548 4.791 0.791 3 4 "[ *+ . - 1 * . ]" 1 202 1 13 G H1 1 14 C H1' 3.000 3.000 6.000 4.511 4.457 4.848 . 0 0 "[ . 1 . ]" 1 203 1 13 G H1' 1 13 G H3' 1.800 . 4.000 3.739 3.737 3.742 . 0 0 "[ . 1 . ]" 1 204 1 13 G H1' 1 13 G H8 1.800 . 4.000 3.713 3.708 3.719 . 0 0 "[ . 1 . ]" 1 205 1 13 G H1' 1 14 C H1' 3.000 3.000 7.000 5.373 5.245 5.422 . 0 0 "[ . 1 . ]" 1 206 1 13 G H1' 1 14 C H5 3.000 3.000 6.000 6.006 5.985 6.060 0.060 11 0 "[ . 1 . ]" 1 207 1 13 G H1' 1 14 C H6 2.000 . 5.000 4.806 4.774 4.915 . 0 0 "[ . 1 . ]" 1 208 1 13 G H8 1 14 C H5 2.000 . 5.000 4.479 4.440 4.525 . 0 0 "[ . 1 . ]" 1 209 1 13 G H8 1 14 C H6 3.000 3.000 7.000 4.907 4.860 4.947 . 0 0 "[ . 1 . ]" 1 210 1 14 C H1' 1 14 C H3' 1.800 . 4.000 3.796 3.793 3.808 . 0 0 "[ . 1 . ]" 1 211 1 14 C H1' 1 14 C H5 3.000 3.000 6.000 5.325 5.323 5.333 . 0 0 "[ . 1 . ]" 1 212 1 14 C H1' 1 14 C H6 1.800 . 4.000 3.576 3.574 3.588 . 0 0 "[ . 1 . ]" 1 213 1 14 C H1' 1 14 C HO2' 1.800 . 4.000 2.450 1.952 3.075 . 0 0 "[ . 1 . ]" 1 214 1 14 C H1' 1 15 U H1' 3.000 3.000 7.000 6.647 6.557 6.662 . 0 0 "[ . 1 . ]" 1 215 1 14 C H1' 1 15 U H5 3.000 3.000 6.000 5.844 5.827 5.861 . 0 0 "[ . 1 . ]" 1 216 1 14 C H1' 1 15 U H6 2.000 . 5.000 5.115 5.095 5.129 0.129 9 0 "[ . 1 . ]" 1 217 1 14 C H3' 1 14 C H6 1.800 . 4.000 2.724 2.681 2.734 . 0 0 "[ . 1 . ]" 1 218 1 14 C H3' 1 15 U H6 2.000 . 5.000 3.746 3.687 3.759 . 0 0 "[ . 1 . ]" 1 219 1 14 C H5 1 15 U H5 2.000 . 5.000 4.902 4.856 4.920 . 0 0 "[ . 1 . ]" 1 220 1 14 C H5 1 15 U H6 3.000 3.000 7.000 6.417 6.357 6.436 . 0 0 "[ . 1 . ]" 1 221 1 14 C H6 1 15 U H5 2.000 . 5.000 4.874 4.843 4.882 . 0 0 "[ . 1 . ]" 1 222 1 14 C H6 1 15 U H6 3.000 3.000 6.000 5.554 5.496 5.569 . 0 0 "[ . 1 . ]" 1 223 1 14 C HO2' 1 15 U H6 1.800 . 4.000 4.474 3.599 4.875 0.875 8 9 "[ - *** +** ** ]" 1 224 1 15 U H1' 1 15 U H5 3.000 3.000 6.000 5.341 5.341 5.342 . 0 0 "[ . 1 . ]" 1 225 1 15 U H1' 1 15 U H6 1.800 . 4.000 3.596 3.595 3.597 . 0 0 "[ . 1 . ]" 1 226 1 15 U H1' 1 16 C H1' 3.000 3.000 6.000 5.321 5.313 5.330 . 0 0 "[ . 1 . ]" 1 227 1 15 U H1' 1 16 C H5 3.000 3.000 6.000 5.805 5.787 5.821 . 0 0 "[ . 1 . ]" 1 228 1 15 U H1' 1 16 C H6 2.000 . 5.000 4.566 4.555 4.574 . 0 0 "[ . 1 . ]" 1 229 1 15 U H3' 1 15 U H6 2.000 . 5.000 2.505 2.498 2.510 . 0 0 "[ . 1 . ]" 1 230 1 15 U H3' 1 16 C H6 2.000 . 5.000 2.584 2.571 2.600 . 0 0 "[ . 1 . ]" 1 231 1 15 U H5 1 16 C H5 2.000 . 5.000 2.924 2.903 2.948 . 0 0 "[ . 1 . ]" 1 232 1 15 U H6 1 15 U HO2' 2.000 . 5.000 5.141 4.744 5.380 0.380 4 0 "[ . 1 . ]" 1 233 1 15 U H6 1 16 C H5 2.000 . 5.000 3.304 3.291 3.313 . 0 0 "[ . 1 . ]" 1 234 1 15 U H6 1 16 C H6 2.000 . 5.000 3.796 3.790 3.806 . 0 0 "[ . 1 . ]" 1 235 1 15 U HO2' 1 16 C H6 1.800 . 4.000 4.510 4.205 4.987 0.987 13 7 "[ - * * * + .**]" 1 236 1 16 C H1' 1 16 C H3' 1.800 . 4.000 3.768 3.767 3.770 . 0 0 "[ . 1 . ]" 1 237 1 16 C H1' 1 16 C H6 1.800 . 4.000 3.467 3.466 3.468 . 0 0 "[ . 1 . ]" 1 238 1 16 C H1' 1 16 C HO2' 1.800 . 4.000 2.122 1.926 2.445 . 0 0 "[ . 1 . ]" 1 239 1 16 C H2' 1 16 C H5 4.000 4.000 7.000 5.454 5.451 5.458 . 0 0 "[ . 1 . ]" 1 240 1 16 C H3' 1 16 C H6 1.800 . 4.000 3.033 3.026 3.038 . 0 0 "[ . 1 . ]" 1 241 2 1 G H1 2 16 C N3 1.900 . 2.000 1.889 1.885 1.891 . 0 0 "[ . 1 . ]" 1 242 2 1 G H1' 2 2 C H6 2.000 . 5.000 4.959 4.900 5.005 0.005 5 0 "[ . 1 . ]" 1 243 2 1 G H21 2 16 C N3 3.000 2.900 3.100 3.001 3.000 3.002 . 0 0 "[ . 1 . ]" 1 244 2 1 G H21 2 16 C O2 2.100 . 2.200 2.103 2.102 2.105 . 0 0 "[ . 1 . ]" 1 245 2 1 G H3' 2 2 C H5 2.000 . 5.000 4.022 3.898 4.147 . 0 0 "[ . 1 . ]" 1 246 2 1 G H3' 2 2 C H6 2.000 . 5.000 3.468 3.260 3.609 . 0 0 "[ . 1 . ]" 1 247 2 1 G H8 2 2 C H5 3.000 3.000 6.000 5.357 5.294 5.398 . 0 0 "[ . 1 . ]" 1 248 2 1 G H8 2 2 C H6 3.000 3.000 6.000 5.630 5.493 5.719 . 0 0 "[ . 1 . ]" 1 249 2 1 G HO2' 2 2 C H6 1.800 . 4.000 4.422 3.677 4.904 0.904 14 9 "[ **** - 1 *+** ]" 1 250 2 1 G O6 2 16 C H41 1.700 . 1.800 1.708 1.707 1.710 . 0 0 "[ . 1 . ]" 1 251 2 2 C H1' 2 2 C H6 1.800 . 4.000 3.452 3.448 3.455 . 0 0 "[ . 1 . ]" 1 252 2 2 C H1' 2 2 C HO2' 1.800 . 4.000 2.688 1.922 3.397 . 0 0 "[ . 1 . ]" 1 253 2 2 C H1' 2 3 U H5 3.000 3.000 6.000 5.844 5.774 5.907 . 0 0 "[ . 1 . ]" 1 254 2 2 C H1' 2 3 U H6 2.000 . 5.000 4.755 4.672 4.810 . 0 0 "[ . 1 . ]" 1 255 2 2 C H3' 2 2 C H6 1.800 . 4.000 3.083 3.069 3.104 . 0 0 "[ . 1 . ]" 1 256 2 2 C H3' 2 3 U H6 2.000 . 5.000 2.823 2.742 3.037 . 0 0 "[ . 1 . ]" 1 257 2 2 C H4' 2 2 C H6 2.000 . 5.000 4.027 4.007 4.062 . 0 0 "[ . 1 . ]" 1 258 2 2 C H41 2 15 G O6 1.700 . 1.800 1.694 1.691 1.697 . 0 0 "[ . 1 . ]" 1 259 2 2 C H5 2 3 U H6 3.000 3.000 6.000 5.312 5.189 5.496 . 0 0 "[ . 1 . ]" 1 260 2 2 C H6 2 3 U H6 2.000 . 5.000 4.762 4.686 4.955 . 0 0 "[ . 1 . ]" 1 261 2 2 C HO2' 2 3 U H5 2.000 . 5.000 6.486 6.130 6.749 1.749 6 17 [**-**+***********] 1 262 2 2 C HO2' 2 3 U H6 1.800 . 4.000 4.616 4.085 5.047 1.047 15 11 "[*- .*** * ***+* ]" 1 263 2 2 C N3 2 15 G H1 1.900 . 2.000 1.913 1.910 1.917 . 0 0 "[ . 1 . ]" 1 264 2 2 C N3 2 15 G H21 3.000 2.900 3.100 2.999 2.997 3.001 . 0 0 "[ . 1 . ]" 1 265 2 2 C O2 2 15 G H21 2.100 . 2.200 2.094 2.092 2.097 . 0 0 "[ . 1 . ]" 1 266 2 3 U H1' 2 3 U H3' 1.800 . 4.000 3.807 3.803 3.810 . 0 0 "[ . 1 . ]" 1 267 2 3 U H1' 2 3 U H4' 1.800 . 4.000 2.997 2.941 3.061 . 0 0 "[ . 1 . ]" 1 268 2 3 U H1' 2 3 U HO2' 1.800 . 4.000 2.366 1.848 3.239 . 0 0 "[ . 1 . ]" 1 269 2 3 U H1' 2 4 G H1' 3.000 3.000 7.000 7.085 6.947 7.137 0.137 3 0 "[ . 1 . ]" 1 270 2 3 U H1' 2 4 G H8 2.000 . 5.000 5.076 4.923 5.148 0.148 15 0 "[ . 1 . ]" 1 271 2 3 U H3 2 4 G H1 3.000 . 4.500 4.364 4.216 4.640 0.140 6 0 "[ . 1 . ]" 1 272 2 3 U H3 2 14 A H2 2.900 2.800 3.000 2.895 2.893 2.897 . 0 0 "[ . 1 . ]" 1 273 2 3 U H3 2 14 A N1 1.900 . 2.000 1.940 1.937 1.942 . 0 0 "[ . 1 . ]" 1 274 2 3 U H3 2 15 G H1 4.000 3.000 5.000 4.162 3.936 4.271 . 0 0 "[ . 1 . ]" 1 275 2 3 U H3' 2 4 G H8 2.000 . 5.000 3.206 2.827 3.402 . 0 0 "[ . 1 . ]" 1 276 2 3 U H5 2 4 G H8 3.000 3.000 6.000 5.639 5.320 5.746 . 0 0 "[ . 1 . ]" 1 277 2 3 U H5 2 14 A H2 3.000 3.000 7.000 6.991 6.936 7.012 0.012 1 0 "[ . 1 . ]" 1 278 2 3 U H6 2 3 U HO2' 2.000 . 5.000 5.107 4.897 5.461 0.461 12 0 "[ . 1 . ]" 1 279 2 3 U H6 2 4 G H8 2.000 . 5.000 4.975 4.622 5.086 0.086 3 0 "[ . 1 . ]" 1 280 2 3 U HO2' 2 4 G H8 2.000 . 5.000 4.794 4.101 5.078 0.078 16 0 "[ . 1 . ]" 1 281 2 3 U O2 2 14 A H2 3.200 3.100 3.300 3.177 3.174 3.179 . 0 0 "[ . 1 . ]" 1 282 2 3 U O4 2 14 A H61 1.800 . 1.900 1.787 1.785 1.790 . 0 0 "[ . 1 . ]" 1 283 2 4 G H1 2 5 G H1 4.000 3.000 5.000 3.313 3.087 3.513 . 0 0 "[ . 1 . ]" 1 284 2 4 G H1 2 12 A H2 3.000 3.000 6.000 4.658 4.397 4.794 . 0 0 "[ . 1 . ]" 1 285 2 4 G H1 2 13 C N3 1.900 . 2.000 1.904 1.902 1.909 . 0 0 "[ . 1 . ]" 1 286 2 4 G H1 2 14 A H1' 3.000 3.000 6.000 5.026 4.868 5.232 . 0 0 "[ . 1 . ]" 1 287 2 4 G H1 2 14 A H2 3.000 3.000 6.000 3.938 3.858 4.073 . 0 0 "[ . 1 . ]" 1 288 2 4 G H1' 2 4 G H8 1.800 . 4.000 3.843 3.838 3.846 . 0 0 "[ . 1 . ]" 1 289 2 4 G H1' 2 4 G HO2' 1.800 . 4.000 2.101 2.010 2.230 . 0 0 "[ . 1 . ]" 1 290 2 4 G H1' 2 5 G H1' 3.000 3.000 6.000 5.212 4.948 5.476 . 0 0 "[ . 1 . ]" 1 291 2 4 G H1' 2 5 G H8 2.000 . 5.000 5.309 5.276 5.369 0.369 9 0 "[ . 1 . ]" 1 292 2 4 G H1' 2 12 A H2 4.000 4.000 8.000 8.155 8.081 8.257 0.257 14 0 "[ . 1 . ]" 1 293 2 4 G H1' 2 14 A H2 . 3.000 5.000 4.419 4.320 4.589 . 0 0 "[ . 1 . ]" 1 294 2 4 G H2' 2 14 A H2 3.000 3.000 6.000 6.382 6.234 6.638 0.638 7 4 "[ .*+ *1 -. ]" 1 295 2 4 G H21 2 13 C N3 3.000 2.900 3.100 3.003 3.001 3.005 . 0 0 "[ . 1 . ]" 1 296 2 4 G H21 2 13 C O2 2.100 . 2.200 2.093 2.090 2.096 . 0 0 "[ . 1 . ]" 1 297 2 4 G H8 2 4 G HO2' 2.000 . 5.000 4.182 4.031 4.467 . 0 0 "[ . 1 . ]" 1 298 2 4 G H8 2 5 G H8 3.000 3.000 7.000 5.763 5.310 6.367 . 0 0 "[ . 1 . ]" 1 299 2 4 G H8 2 14 A H2 3.000 3.000 6.000 5.320 5.187 5.392 . 0 0 "[ . 1 . ]" 1 300 2 4 G HO2' 2 5 G H1' 3.000 3.000 6.000 3.630 3.270 3.983 . 0 0 "[ . 1 . ]" 1 301 2 4 G HO2' 2 5 G H8 1.800 . 4.000 3.385 3.282 3.518 . 0 0 "[ . 1 . ]" 1 302 2 4 G O6 2 13 C H41 1.700 . 1.800 1.700 1.696 1.703 . 0 0 "[ . 1 . ]" 1 303 2 5 G H1 2 12 A H2 2.000 . 5.000 3.015 2.991 3.028 . 0 0 "[ . 1 . ]" 1 304 2 5 G H1 2 12 A N1 1.900 . 2.000 1.934 1.932 1.936 . 0 0 "[ . 1 . ]" 1 305 2 5 G H1' 2 5 G H4' 1.800 . 4.000 2.773 2.759 2.787 . 0 0 "[ . 1 . ]" 1 306 2 5 G H1' 2 5 G H8 1.800 . 4.000 3.844 3.843 3.846 . 0 0 "[ . 1 . ]" 1 307 2 5 G H1' 2 5 G HO2' 1.800 . 4.000 2.751 1.872 3.338 . 0 0 "[ . 1 . ]" 1 308 2 5 G H4' 2 5 G H8 3.000 3.000 6.000 4.717 4.702 4.726 . 0 0 "[ . 1 . ]" 1 309 2 5 G H5'' 2 5 G H8 3.000 3.000 7.000 4.340 3.914 5.063 . 0 0 "[ . 1 . ]" 1 310 2 5 G H8 2 5 G HO2' 2.000 . 5.000 4.753 4.704 4.792 . 0 0 "[ . 1 . ]" 1 311 2 5 G O6 2 12 A H61 1.700 . 1.800 1.729 1.726 1.731 . 0 0 "[ . 1 . ]" 1 312 2 6 U H1' 2 6 U H3' 1.800 . 4.000 3.748 3.744 3.750 . 0 0 "[ . 1 . ]" 1 313 2 6 U H1' 2 6 U H4' 1.800 . 4.000 3.232 3.215 3.258 . 0 0 "[ . 1 . ]" 1 314 2 6 U H1' 2 6 U H6 1.800 . 4.000 3.499 3.473 3.517 . 0 0 "[ . 1 . ]" 1 315 2 6 U H1' 2 6 U HO2' 1.800 . 4.000 2.829 2.002 3.396 . 0 0 "[ . 1 . ]" 1 316 2 6 U H1' 2 7 C H5 3.000 3.000 6.000 5.529 5.395 5.631 . 0 0 "[ . 1 . ]" 1 317 2 6 U H1' 2 7 C H6 2.000 . 5.000 5.027 4.970 5.078 0.078 10 0 "[ . 1 . ]" 1 318 2 6 U H3' 2 7 C H6 2.000 . 5.000 2.969 2.929 2.994 . 0 0 "[ . 1 . ]" 1 319 2 6 U H4' 2 6 U H6 2.000 . 5.000 4.008 3.985 4.039 . 0 0 "[ . 1 . ]" 1 320 2 6 U H6 2 6 U HO2' 2.000 . 5.000 5.291 4.846 5.589 0.589 17 4 "[ . *1 -* +]" 1 321 2 6 U H6 2 7 C H5 3.000 3.000 6.000 4.266 4.211 4.302 . 0 0 "[ . 1 . ]" 1 322 2 6 U H6 2 7 C H6 3.000 3.000 6.000 5.200 5.113 5.330 . 0 0 "[ . 1 . ]" 1 323 2 6 U HO2' 2 7 C H6 1.800 . 4.000 4.174 3.677 4.793 0.793 7 6 "[** - + 1* * . ]" 1 324 2 7 C H1' 2 7 C H3' 1.800 . 4.000 3.748 3.745 3.751 . 0 0 "[ . 1 . ]" 1 325 2 7 C H1' 2 7 C HO2' 1.800 . 4.000 2.486 1.946 3.360 . 0 0 "[ . 1 . ]" 1 326 2 7 C H1' 2 8 C H5 3.000 3.000 6.000 5.640 5.581 5.705 . 0 0 "[ . 1 . ]" 1 327 2 7 C H1' 2 8 C H6 2.000 . 5.000 4.942 4.885 5.005 0.005 5 0 "[ . 1 . ]" 1 328 2 7 C H3' 2 7 C H6 1.800 . 4.000 2.587 2.564 2.611 . 0 0 "[ . 1 . ]" 1 329 2 7 C H3' 2 8 C H5 3.000 3.000 6.000 3.612 3.575 3.671 . 0 0 "[ . 1 . ]" 1 330 2 7 C H4' 2 7 C H6 2.000 . 5.000 3.957 3.934 3.986 . 0 0 "[ . 1 . ]" 1 331 2 7 C H5 2 8 C H1' 4.000 4.000 8.000 7.787 7.726 7.846 . 0 0 "[ . 1 . ]" 1 332 2 7 C H5 2 8 C H5 3.000 3.000 6.000 3.317 3.280 3.342 . 0 0 "[ . 1 . ]" 1 333 2 7 C H5 2 8 C H6 2.000 . 5.000 5.151 5.125 5.173 0.173 7 0 "[ . 1 . ]" 1 334 2 7 C H6 2 7 C HO2' 2.000 . 5.000 5.002 4.742 5.423 0.423 12 0 "[ . 1 . ]" 1 335 2 7 C H6 2 8 C H5 2.000 . 5.000 3.841 3.797 3.879 . 0 0 "[ . 1 . ]" 1 336 2 7 C H6 2 8 C H6 3.000 3.000 6.000 4.522 4.500 4.541 . 0 0 "[ . 1 . ]" 1 337 2 7 C HO2' 2 8 C H6 1.800 . 4.000 4.785 4.161 5.171 1.171 5 11 "[* **+ ***-* **. ]" 1 338 2 8 C H1' 2 8 C H3' 1.800 . 4.000 3.766 3.764 3.768 . 0 0 "[ . 1 . ]" 1 339 2 8 C H1' 2 8 C H4' 1.800 . 4.000 3.032 3.017 3.046 . 0 0 "[ . 1 . ]" 1 340 2 8 C H1' 2 8 C HO2' 1.800 . 4.000 2.810 1.886 3.365 . 0 0 "[ . 1 . ]" 1 341 2 8 C H1' 2 9 C H5 3.000 3.000 6.000 5.422 5.399 5.442 . 0 0 "[ . 1 . ]" 1 342 2 8 C H1' 2 9 C H6 3.000 3.000 6.000 5.147 5.129 5.169 . 0 0 "[ . 1 . ]" 1 343 2 8 C H3' 2 8 C H6 1.800 . 4.000 2.715 2.707 2.725 . 0 0 "[ . 1 . ]" 1 344 2 8 C H3' 2 9 C H6 2.000 . 5.000 3.107 3.082 3.121 . 0 0 "[ . 1 . ]" 1 345 2 8 C H6 2 8 C HO2' 2.000 . 5.000 5.182 4.838 5.447 0.447 8 0 "[ . 1 . ]" 1 346 2 8 C H6 2 9 C H6 3.000 3.000 6.000 5.115 5.087 5.145 . 0 0 "[ . 1 . ]" 1 347 2 8 C HO2' 2 9 C H6 1.800 . 4.000 4.074 3.459 4.802 0.802 11 4 "[** . - 1+ . ]" 1 348 2 9 C H1' 2 9 C H3' 1.800 . 4.000 3.759 3.758 3.761 . 0 0 "[ . 1 . ]" 1 349 2 9 C H1' 2 9 C H4' 1.800 . 4.000 3.314 3.306 3.324 . 0 0 "[ . 1 . ]" 1 350 2 9 C H1' 2 9 C H6 1.800 . 4.000 3.620 3.617 3.624 . 0 0 "[ . 1 . ]" 1 351 2 9 C H1' 2 9 C HO2' 1.800 . 4.000 2.785 1.993 3.313 . 0 0 "[ . 1 . ]" 1 352 2 9 C H1' 2 10 A H8 2.000 . 5.000 4.790 4.770 4.826 . 0 0 "[ . 1 . ]" 1 353 2 9 C H3' 2 9 C H6 1.800 . 4.000 2.386 2.371 2.403 . 0 0 "[ . 1 . ]" 1 354 2 9 C H3' 2 10 A H8 2.000 . 5.000 2.442 2.430 2.457 . 0 0 "[ . 1 . ]" 1 355 2 9 C H5 2 10 A H8 3.000 3.000 6.000 4.867 4.719 4.952 . 0 0 "[ . 1 . ]" 1 356 2 9 C H6 2 9 C HO2' 2.000 . 5.000 4.985 4.696 5.330 0.330 12 0 "[ . 1 . ]" 1 357 2 9 C HO2' 2 10 A H8 1.800 . 4.000 4.485 4.008 4.881 0.881 9 9 "[ **-. * +* **.* ]" 1 358 2 10 A H1' 2 10 A H8 2.000 . 5.000 3.653 3.651 3.658 . 0 0 "[ . 1 . ]" 1 359 2 10 A H1' 2 10 A HO2' 1.800 . 4.000 2.504 1.931 3.253 . 0 0 "[ . 1 . ]" 1 360 2 10 A H1' 2 11 G H1' 3.000 3.000 6.000 5.549 5.524 5.574 . 0 0 "[ . 1 . ]" 1 361 2 10 A H1' 2 11 G H8 3.000 3.000 6.000 5.082 5.015 5.143 . 0 0 "[ . 1 . ]" 1 362 2 10 A H2 2 11 G H1 3.000 3.000 6.000 5.682 5.615 5.723 . 0 0 "[ . 1 . ]" 1 363 2 10 A H2 2 11 G H1' 2.000 . 5.000 3.211 3.184 3.239 . 0 0 "[ . 1 . ]" 1 364 2 10 A H2 2 11 G H8 3.000 3.000 6.000 5.282 5.252 5.323 . 0 0 "[ . 1 . ]" 1 365 2 10 A H2 2 12 A H8 3.000 3.000 7.000 7.336 7.311 7.357 0.357 8 0 "[ . 1 . ]" 1 366 2 10 A H8 2 11 G H8 3.000 3.000 6.000 4.557 4.512 4.596 . 0 0 "[ . 1 . ]" 1 367 2 10 A HO2' 2 11 G H8 2.000 . 5.000 5.190 4.647 5.436 0.436 8 0 "[ . 1 . ]" 1 368 2 11 G H1 2 12 A H2 3.000 3.000 6.000 4.454 4.338 4.571 . 0 0 "[ . 1 . ]" 1 369 2 11 G H1' 2 11 G H3' 1.800 . 4.000 3.749 3.746 3.751 . 0 0 "[ . 1 . ]" 1 370 2 11 G H1' 2 11 G H4' 1.800 . 4.000 3.007 2.965 3.065 . 0 0 "[ . 1 . ]" 1 371 2 11 G H1' 2 11 G H5'' 3.000 3.000 6.000 5.120 5.102 5.144 . 0 0 "[ . 1 . ]" 1 372 2 11 G H1' 2 11 G H8 1.800 . 4.000 3.710 3.706 3.716 . 0 0 "[ . 1 . ]" 1 373 2 11 G H1' 2 11 G HO2' 1.800 . 4.000 2.530 1.875 3.369 . 0 0 "[ . 1 . ]" 1 374 2 11 G H1' 2 12 A H1' 3.000 3.000 6.000 4.465 4.443 4.491 . 0 0 "[ . 1 . ]" 1 375 2 11 G H1' 2 12 A H8 2.000 . 5.000 5.127 5.072 5.174 0.174 4 0 "[ . 1 . ]" 1 376 2 11 G H3' 2 11 G H8 1.800 . 4.000 2.832 2.766 2.879 . 0 0 "[ . 1 . ]" 1 377 2 11 G H4' 2 11 G H8 2.000 . 5.000 4.346 4.309 4.371 . 0 0 "[ . 1 . ]" 1 378 2 11 G H8 2 11 G HO2' 2.000 . 5.000 5.232 5.020 5.569 0.569 7 3 "[ . + -* . ]" 1 379 2 11 G H8 2 12 A H8 3.000 3.000 6.000 4.937 4.899 4.992 . 0 0 "[ . 1 . ]" 1 380 2 11 G HO2' 2 12 A H8 2.000 . 5.000 5.136 4.380 5.649 0.649 17 4 "[ . 1 -*.*+]" 1 381 2 12 A H1' 2 12 A H3' 1.800 . 4.000 3.765 3.761 3.771 . 0 0 "[ . 1 . ]" 1 382 2 12 A H1' 2 12 A H4' 1.800 . 4.000 3.342 3.323 3.373 . 0 0 "[ . 1 . ]" 1 383 2 12 A H1' 2 12 A H8 1.800 . 4.000 3.543 3.535 3.552 . 0 0 "[ . 1 . ]" 1 384 2 12 A H1' 2 12 A HO2' 1.800 . 4.000 2.691 1.978 3.408 . 0 0 "[ . 1 . ]" 1 385 2 12 A H1' 2 13 C H1' 3.000 3.000 6.000 5.881 5.847 5.921 . 0 0 "[ . 1 . ]" 1 386 2 12 A H1' 2 13 C H5 3.000 3.000 6.000 5.251 5.202 5.342 . 0 0 "[ . 1 . ]" 1 387 2 12 A H1' 2 13 C H6 2.000 . 5.000 4.948 4.886 5.043 0.043 7 0 "[ . 1 . ]" 1 388 2 12 A H2 2 13 C H1' 2.000 . 5.000 3.627 3.404 3.998 . 0 0 "[ . 1 . ]" 1 389 2 12 A H2 2 13 C H5 3.000 3.000 6.000 5.772 5.573 5.980 . 0 0 "[ . 1 . ]" 1 390 2 12 A H2 2 13 C H6 3.000 3.000 6.000 5.364 5.185 5.686 . 0 0 "[ . 1 . ]" 1 391 2 12 A H2 2 14 A H2 3.000 3.000 8.000 8.167 8.105 8.217 0.217 15 0 "[ . 1 . ]" 1 392 2 12 A H3' 2 12 A H8 1.800 . 4.000 3.377 3.349 3.404 . 0 0 "[ . 1 . ]" 1 393 2 12 A H8 2 12 A HO2' 2.000 . 5.000 5.456 4.985 5.842 0.842 2 9 "[ +-*.* *** *.* ]" 1 394 2 12 A H8 2 13 C H5 2.000 . 5.000 3.850 3.765 3.966 . 0 0 "[ . 1 . ]" 1 395 2 12 A H8 2 13 C H6 2.000 . 5.000 5.202 5.127 5.290 0.290 7 0 "[ . 1 . ]" 1 396 2 12 A HO2' 2 13 C H5 2.000 . 5.000 5.667 5.451 5.863 0.863 5 13 "[* * +*** 1***-***]" 1 397 2 12 A HO2' 2 13 C H6 1.800 . 4.000 4.250 3.701 4.702 0.702 11 6 "[* * * 1+ - * ]" 1 398 2 13 C H1' 2 13 C H3' 1.800 . 4.000 3.763 3.761 3.765 . 0 0 "[ . 1 . ]" 1 399 2 13 C H1' 2 13 C H5 3.000 3.000 6.000 5.333 5.329 5.336 . 0 0 "[ . 1 . ]" 1 400 2 13 C H1' 2 13 C H6 1.800 . 4.000 3.588 3.582 3.592 . 0 0 "[ . 1 . ]" 1 401 2 13 C H1' 2 13 C HO2' 1.800 . 4.000 2.808 1.930 3.391 . 0 0 "[ . 1 . ]" 1 402 2 13 C H1' 2 14 A H8 2.000 . 5.000 4.972 4.940 5.008 0.008 8 0 "[ . 1 . ]" 1 403 2 13 C H3' 2 13 C H6 1.800 . 4.000 2.570 2.549 2.596 . 0 0 "[ . 1 . ]" 1 404 2 13 C H3' 2 14 A H8 2.000 . 5.000 2.909 2.852 3.005 . 0 0 "[ . 1 . ]" 1 405 2 13 C H5 2 14 A H8 3.000 3.000 6.000 5.608 5.532 5.682 . 0 0 "[ . 1 . ]" 1 406 2 13 C H6 2 13 C HO2' 2.000 . 5.000 5.079 4.757 5.395 0.395 16 0 "[ . 1 . ]" 1 407 2 13 C H6 2 14 A H8 3.000 3.000 6.000 4.745 4.685 4.828 . 0 0 "[ . 1 . ]" 1 408 2 13 C HO2' 2 14 A H8 2.000 . 5.000 4.319 3.725 4.905 . 0 0 "[ . 1 . ]" 1 409 2 14 A H1' 2 14 A H3' 1.800 . 4.000 3.737 3.734 3.741 . 0 0 "[ . 1 . ]" 1 410 2 14 A H1' 2 14 A H4' 1.800 . 4.000 3.294 3.266 3.315 . 0 0 "[ . 1 . ]" 1 411 2 14 A H1' 2 14 A H8 1.800 . 4.000 3.739 3.737 3.742 . 0 0 "[ . 1 . ]" 1 412 2 14 A H1' 2 14 A HO2' 1.800 . 4.000 3.002 1.979 3.409 . 0 0 "[ . 1 . ]" 1 413 2 14 A H1' 2 15 G H1' 3.000 3.000 6.000 6.026 5.981 6.047 0.047 6 0 "[ . 1 . ]" 1 414 2 14 A H1' 2 15 G H8 2.000 . 5.000 4.814 4.706 4.853 . 0 0 "[ . 1 . ]" 1 415 2 14 A H2 2 15 G H1 3.000 3.000 6.000 6.118 6.096 6.146 0.146 17 0 "[ . 1 . ]" 1 416 2 14 A H2 2 15 G H1' 2.000 . 5.000 4.814 4.606 4.950 . 0 0 "[ . 1 . ]" 1 417 2 14 A H2 2 15 G H8 3.000 3.000 6.000 5.479 5.259 5.602 . 0 0 "[ . 1 . ]" 1 418 2 14 A H3' 2 14 A H8 1.800 . 4.000 2.590 2.577 2.600 . 0 0 "[ . 1 . ]" 1 419 2 14 A H3' 2 15 G H8 3.000 3.000 6.000 3.180 3.079 3.271 . 0 0 "[ . 1 . ]" 1 420 2 14 A H4' 2 14 A H8 2.000 . 5.000 4.160 4.143 4.182 . 0 0 "[ . 1 . ]" 1 421 2 14 A H5'' 2 14 A H8 3.000 3.000 6.000 4.155 4.078 4.226 . 0 0 "[ . 1 . ]" 1 422 2 14 A H8 2 14 A HO2' 2.000 . 5.000 5.360 5.105 5.516 0.516 3 3 "[ + . * - ]" 1 423 2 14 A H8 2 15 G H8 3.000 3.000 6.000 4.723 4.513 4.840 . 0 0 "[ . 1 . ]" 1 424 2 14 A HO2' 2 15 G H8 1.800 . 4.000 4.237 3.888 4.705 0.705 14 4 "[ - . 1 *+. *]" 1 425 2 15 G H1' 2 15 G H4' 1.800 . 4.000 3.223 3.145 3.260 . 0 0 "[ . 1 . ]" 1 426 2 15 G H1' 2 15 G H8 1.800 . 4.000 3.610 3.592 3.626 . 0 0 "[ . 1 . ]" 1 427 2 15 G H1' 2 15 G HO2' 1.800 . 4.000 2.703 1.937 3.366 . 0 0 "[ . 1 . ]" 1 428 2 15 G H1' 2 16 C H1' 3.000 3.000 6.000 6.040 6.005 6.064 0.064 7 0 "[ . 1 . ]" 1 429 2 15 G H1' 2 16 C H5 3.000 3.000 6.000 5.950 5.854 6.044 0.044 17 0 "[ . 1 . ]" 1 430 2 15 G H1' 2 16 C H6 2.000 . 5.000 4.809 4.696 4.901 . 0 0 "[ . 1 . ]" 1 431 2 15 G H3' 2 15 G H8 1.800 . 4.000 3.095 3.037 3.172 . 0 0 "[ . 1 . ]" 1 432 2 15 G H3' 2 16 C H6 2.000 . 5.000 3.310 3.242 3.437 . 0 0 "[ . 1 . ]" 1 433 2 15 G H8 2 15 G HO2' 2.000 . 5.000 5.327 4.966 5.728 0.728 4 5 "[* +. * - *. ]" 1 434 2 15 G H8 2 16 C H5 2.000 . 5.000 4.652 4.507 4.756 . 0 0 "[ . 1 . ]" 1 435 2 15 G H8 2 16 C H6 3.000 3.000 6.000 5.014 4.944 5.083 . 0 0 "[ . 1 . ]" 1 436 2 15 G HO2' 2 16 C H5 2.000 . 5.000 6.600 6.264 6.888 1.888 2 17 [*+*******-*******] 1 437 2 15 G HO2' 2 16 C H6 1.800 . 4.000 4.706 4.167 5.170 1.170 5 11 "[ *- + **1*** ***]" 1 438 2 16 C H1' 2 16 C H3' 1.800 . 4.000 3.771 3.769 3.772 . 0 0 "[ . 1 . ]" 1 439 2 16 C H1' 2 16 C H4' 1.800 . 4.000 3.042 3.021 3.061 . 0 0 "[ . 1 . ]" 1 440 2 16 C H1' 2 16 C H6 1.800 . 4.000 3.445 3.442 3.447 . 0 0 "[ . 1 . ]" 1 441 2 16 C H1' 2 16 C HO2' 1.800 . 4.000 2.565 1.876 3.361 . 0 0 "[ . 1 . ]" 1 442 2 16 C H3' 2 16 C H6 1.800 . 4.000 3.192 3.180 3.200 . 0 0 "[ . 1 . ]" 1 443 2 16 C H4' 2 16 C H6 2.000 . 5.000 4.150 4.144 4.158 . 0 0 "[ . 1 . ]" 1 444 2 16 C H6 2 16 C HO2' 2.000 . 5.000 5.248 4.879 5.635 0.635 4 7 "[ * +.* -1 **.* ]" 1 stop_ save_
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