NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
605771 | 2n6x | 25785 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n6x 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 454 _Distance_constraint_stats_list.Viol_count 1000 _Distance_constraint_stats_list.Viol_total 4111.683 _Distance_constraint_stats_list.Viol_max 2.052 _Distance_constraint_stats_list.Viol_rms 0.2994 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0906 _Distance_constraint_stats_list.Viol_average_violations_only 0.4112 _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 18.681 1.873 10 10 [**-******+] 1 2 G 26.471 1.873 10 10 [**-******+] 1 3 U 11.886 1.662 5 7 "[ ** +** -*]" 1 4 G 22.893 2.004 4 10 [**-+******] 1 5 A 30.798 2.004 4 10 [*-*+******] 1 6 G 25.307 1.880 2 9 [*+***-***1] 1 7 U 20.884 1.880 2 9 [*+****-**1] 1 8 A 22.317 2.052 6 10 [*****+-***] 1 9 C 20.057 2.052 6 10 [*****+*-**] 1 10 G 3.394 0.874 2 3 "[ + . -*1]" 1 11 U 0.864 0.666 8 1 "[ . + 1]" 1 12 A 1.137 0.666 8 1 "[ . + 1]" 1 13 G 5.778 1.975 9 3 "[ .* *+1]" 1 14 A 22.373 1.975 9 10 [********+*] 1 15 G 26.053 1.680 7 10 [*-****+***] 1 16 U 14.973 1.458 7 8 "[ ****+**-]" 1 17 A 19.788 1.660 8 9 "[** ****+*-]" 1 18 U 15.299 1.660 8 8 "[** *.*-+**]" 1 19 A 16.206 1.617 4 10 [***+*****-] 1 20 C 30.484 1.930 1 10 [+*****-***] 1 21 U 39.928 1.930 1 10 [+*-*******] 1 22 U 3.359 0.514 6 1 "[ .+ 1]" 1 23 C 14.587 1.123 1 10 [+*-*******] 1 24 G 7.189 0.738 7 2 "[- . + 1]" 1 25 G 3.824 0.738 7 2 "[- . + 1]" 1 26 U 8.830 1.550 9 5 "[ **-. +*]" 1 27 A 21.397 1.618 6 10 [*-***+****] 1 28 U 18.916 1.618 6 10 [*****+*-**] 1 29 A 21.613 1.685 5 10 [-***+*****] 1 30 C 15.687 1.685 5 10 [****+***-*] 1 31 U 17.461 1.977 7 10 [******+*-*] 1 32 U 25.307 1.977 7 10 [******+-**] 1 33 A 24.020 1.868 3 10 [**+******-] 1 34 U 23.576 1.868 3 10 [**+*****-*] 1 35 A 13.858 1.496 2 8 "[-+ ******]" 1 36 U 16.839 1.784 4 9 "[-**+**** *]" 1 37 A 21.490 1.784 4 9 "[***+-*** *]" 1 38 C 25.194 1.660 7 10 [**-***+***] 1 39 U 26.720 1.725 8 10 [*****-*+**] 1 40 U 13.954 1.725 8 9 [****.-*+**] 1 41 A 16.991 1.738 4 8 "[***+. *-**]" 1 42 C 20.404 1.738 4 10 [***+***-**] 1 43 C 8.941 1.686 7 6 "[ * **+ -*]" 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 1 G H8 1.800 . 5.000 3.796 3.780 3.831 . 0 0 "[ . 1]" 1 2 1 1 G H8 1 1 G HO2' 1.800 . 5.000 5.239 5.123 5.484 0.484 3 0 "[ . 1]" 1 3 1 1 G H8 1 2 G H8 1.800 . 5.000 5.028 4.882 5.114 0.114 5 0 "[ . 1]" 1 4 1 1 G HO2' 1 2 G H8 1.800 . 3.000 4.557 3.696 4.873 1.873 10 10 [**-******+] 1 5 1 1 G H1' 1 2 G H8 1.800 . 5.000 5.016 4.983 5.048 0.048 4 0 "[ . 1]" 1 6 1 2 G H1' 1 2 G H8 1.800 . 5.000 3.835 3.801 3.855 . 0 0 "[ . 1]" 1 7 1 1 G HO2' 1 2 G H1' 1.800 . 6.500 5.028 3.752 5.815 . 0 0 "[ . 1]" 1 8 1 2 G H1' 1 3 U H5 1.800 . 6.500 6.184 6.005 6.351 . 0 0 "[ . 1]" 1 9 1 2 G H8 1 3 U H6 1.800 . 6.500 5.285 5.158 5.471 . 0 0 "[ . 1]" 1 10 1 2 G H1 1 42 C H41 1.800 . 3.500 2.757 2.599 3.044 . 0 0 "[ . 1]" 1 11 1 2 G H1 1 42 C H42 1.800 . 4.500 4.227 4.096 4.483 . 0 0 "[ . 1]" 1 12 1 2 G H1 1 3 U H1' 1.800 . 6.000 5.467 5.092 5.878 . 0 0 "[ . 1]" 1 13 1 2 G H1 1 41 A H2 1.800 . 6.000 4.734 4.512 5.149 . 0 0 "[ . 1]" 1 14 1 2 G H1 1 43 C H5 1.800 . 6.000 5.628 5.405 5.896 . 0 0 "[ . 1]" 1 15 1 2 G H1 1 2 G H1' 3.500 3.500 6.500 5.960 5.930 5.997 . 0 0 "[ . 1]" 1 16 1 2 G H1 1 3 U H3 3.500 3.500 6.500 4.231 3.940 4.526 . 0 0 "[ . 1]" 1 17 1 2 G H1' 1 3 U H6 1.800 . 5.000 5.006 4.969 5.038 0.038 5 0 "[ . 1]" 1 18 1 3 U H1' 1 3 U H6 1.800 . 5.000 3.664 3.634 3.679 . 0 0 "[ . 1]" 1 19 1 3 U H1' 1 3 U H5 1.800 . 6.500 5.392 5.364 5.407 . 0 0 "[ . 1]" 1 20 1 3 U H3 1 41 A H2 1.800 . 3.500 3.260 3.079 3.403 . 0 0 "[ . 1]" 1 21 1 3 U H3 1 4 G H1 1.800 . 6.000 5.583 5.140 5.918 . 0 0 "[ . 1]" 1 22 1 3 U H3 1 40 U H3 1.800 . 6.000 5.880 5.763 6.029 0.029 8 0 "[ . 1]" 1 23 1 3 U H3 1 4 G H8 3.500 3.500 6.500 5.981 5.855 6.151 . 0 0 "[ . 1]" 1 24 1 3 U H1' 1 3 U H3 3.500 3.500 6.500 4.519 4.508 4.532 . 0 0 "[ . 1]" 1 25 1 3 U H3 1 4 G H1' 3.500 3.500 6.500 6.437 6.178 6.533 0.033 5 0 "[ . 1]" 1 26 1 2 G HO2' 1 3 U H6 1.800 . 3.000 3.993 3.220 4.662 1.662 5 7 "[ ** +** -*]" 1 27 1 2 G HO2' 1 3 U H1' 1.800 . 5.000 3.930 3.133 5.095 0.095 5 0 "[ . 1]" 1 28 1 3 U H6 1 3 U HO2' 1.800 . 5.000 5.044 4.936 5.348 0.348 5 0 "[ . 1]" 1 29 1 4 G H1 1 5 A H1' 1.800 . 4.500 4.532 4.500 4.561 0.061 10 0 "[ . 1]" 1 30 1 4 G H1 1 41 A H1' 1.800 . 4.500 3.894 3.677 4.065 . 0 0 "[ . 1]" 1 31 1 4 G H1 1 41 A H2 3.500 3.500 6.500 4.322 4.039 4.589 . 0 0 "[ . 1]" 1 32 1 4 G H1 1 5 A H8 3.500 3.500 6.500 6.284 6.118 6.434 . 0 0 "[ . 1]" 1 33 1 4 G H1 1 41 A HO2' 1.800 . 6.000 6.022 5.706 6.473 0.473 1 0 "[ . 1]" 1 34 1 3 U H1' 1 4 G H8 1.800 . 5.000 4.266 4.098 4.534 . 0 0 "[ . 1]" 1 35 1 4 G H1' 1 4 G H8 1.800 . 5.000 3.785 3.774 3.802 . 0 0 "[ . 1]" 1 36 1 4 G H1 1 5 A H2 3.500 3.500 6.500 3.557 3.458 3.821 0.042 8 0 "[ . 1]" 1 37 1 4 G H1 1 40 U H1' 1.800 . 6.000 3.932 3.803 4.128 . 0 0 "[ . 1]" 1 38 1 4 G H1 1 41 A H8 3.500 3.500 6.500 4.998 4.852 5.242 . 0 0 "[ . 1]" 1 39 1 3 U HO2' 1 4 G H8 1.800 . 3.000 2.715 1.902 3.338 0.338 7 0 "[ . 1]" 1 40 1 3 U HO2' 1 4 G H1' 1.800 . 5.000 3.594 3.000 4.022 . 0 0 "[ . 1]" 1 41 1 4 G H8 1 4 G HO2' 1.800 . 5.000 5.258 5.145 5.563 0.563 3 1 "[ + . 1]" 1 42 1 4 G H8 1 41 A H2 1.800 . 6.500 5.368 5.173 5.467 . 0 0 "[ . 1]" 1 43 1 5 A H2 1 40 U H1' 1.800 . 3.000 3.064 2.987 3.096 0.096 9 0 "[ . 1]" 1 44 1 5 A H2 1 6 G H1' 1.800 . 4.000 4.006 3.764 4.072 0.072 8 0 "[ . 1]" 1 45 1 4 G H1' 1 5 A H8 1.800 . 5.000 4.994 4.900 5.037 0.037 7 0 "[ . 1]" 1 46 1 5 A H1' 1 5 A H8 1.800 . 5.000 3.811 3.786 3.852 . 0 0 "[ . 1]" 1 47 1 4 G H1' 1 5 A H1' 1.800 . 6.500 4.681 4.551 4.955 . 0 0 "[ . 1]" 1 48 1 5 A H1' 1 5 A H2 1.800 . 6.500 4.654 4.628 4.676 . 0 0 "[ . 1]" 1 49 1 5 A H2 1 6 G H8 1.800 . 6.500 6.075 5.832 6.299 . 0 0 "[ . 1]" 1 50 1 5 A H8 1 6 G H8 1.800 . 6.500 5.632 5.007 5.986 . 0 0 "[ . 1]" 1 51 1 4 G HO2' 1 5 A H8 1.800 . 3.000 4.705 3.977 5.004 2.004 4 10 [**-+******] 1 52 1 4 G HO2' 1 5 A H1' 1.800 . 5.000 4.481 3.446 5.414 0.414 10 0 "[ . 1]" 1 53 1 5 A H8 1 5 A HO2' 1.800 . 5.000 5.380 5.234 5.637 0.637 8 2 "[ - . + 1]" 1 54 1 5 A H1' 1 6 G H8 1.800 . 5.000 4.951 4.628 5.053 0.053 8 0 "[ . 1]" 1 55 1 6 G H1' 1 6 G H8 1.800 . 5.000 3.807 3.787 3.838 . 0 0 "[ . 1]" 1 56 1 6 G H1' 1 7 U H5 1.800 . 6.500 6.094 5.768 6.285 . 0 0 "[ . 1]" 1 57 1 6 G H8 1 7 U H5 1.800 . 6.500 4.680 4.291 4.928 . 0 0 "[ . 1]" 1 58 1 6 G H1 1 38 C H41 1.800 . 3.500 2.258 2.009 2.465 . 0 0 "[ . 1]" 1 59 1 6 G H1 1 38 C H42 1.800 . 4.500 3.756 3.568 3.905 . 0 0 "[ . 1]" 1 60 1 6 G H1 1 7 U H1' 1.800 . 6.000 5.347 5.088 5.743 . 0 0 "[ . 1]" 1 61 1 6 G H1 1 39 U H1' 1.800 . 6.000 5.237 4.976 5.526 . 0 0 "[ . 1]" 1 62 1 6 G H1 1 39 U H5 1.800 . 6.000 5.939 5.532 6.055 0.055 2 0 "[ . 1]" 1 63 1 5 A H2 1 6 G H1 3.500 3.500 6.500 5.835 5.596 6.056 . 0 0 "[ . 1]" 1 64 1 6 G H1 1 7 U H6 3.500 3.500 6.500 6.524 6.470 6.566 0.066 3 0 "[ . 1]" 1 65 1 6 G H1 1 37 A H2 3.500 3.500 6.500 4.791 4.418 5.140 . 0 0 "[ . 1]" 1 66 1 5 A HO2' 1 6 G H8 1.800 . 3.000 3.523 2.218 4.437 1.437 1 4 "[+ - .** 1]" 1 67 1 5 A HO2' 1 6 G H1' 1.800 . 5.000 3.720 3.028 4.828 . 0 0 "[ . 1]" 1 68 1 6 G H8 1 6 G HO2' 1.800 . 5.000 5.279 5.097 5.456 0.456 6 0 "[ . 1]" 1 69 1 6 G H1' 1 7 U H6 1.800 . 5.000 5.000 4.926 5.038 0.038 3 0 "[ . 1]" 1 70 1 6 G H8 1 7 U H6 1.800 . 6.500 5.189 4.993 5.389 . 0 0 "[ . 1]" 1 71 1 7 U H1' 1 7 U H6 1.800 . 6.500 3.665 3.634 3.695 . 0 0 "[ . 1]" 1 72 1 7 U H3 1 37 A H2 1.800 . 3.500 3.049 2.760 3.327 . 0 0 "[ . 1]" 1 73 1 6 G H1 1 7 U H3 1.800 . 6.000 3.911 3.480 4.153 . 0 0 "[ . 1]" 1 74 1 7 U H1' 1 7 U H3 1.800 . 6.000 4.526 4.502 4.560 . 0 0 "[ . 1]" 1 75 1 7 U H3 1 8 A H1' 3.500 3.500 6.500 6.228 5.876 6.515 0.015 8 0 "[ . 1]" 1 76 1 7 U H3 1 8 A H2 3.500 3.500 6.500 6.053 5.694 6.412 . 0 0 "[ . 1]" 1 77 1 7 U H3 1 8 A H8 3.500 3.500 6.500 6.109 5.871 6.285 . 0 0 "[ . 1]" 1 78 1 7 U H3 1 38 C H1' 3.500 3.500 6.500 6.281 5.794 6.531 0.031 4 0 "[ . 1]" 1 79 1 7 U H3 1 38 C H41 3.500 3.500 6.500 4.500 4.328 4.708 . 0 0 "[ . 1]" 1 80 1 7 U H3 1 38 C H42 3.500 3.500 6.500 5.621 5.431 5.756 . 0 0 "[ . 1]" 1 81 1 7 U H3 1 38 C H5 3.500 3.500 6.500 6.547 6.462 6.606 0.106 5 0 "[ . 1]" 1 82 1 6 G HO2' 1 7 U H6 1.800 . 3.000 4.306 3.437 4.880 1.880 2 9 [*+***-***1] 1 83 1 6 G HO2' 1 7 U H1' 1.800 . 5.000 4.482 3.561 5.437 0.437 8 0 "[ . 1]" 1 84 1 7 U H6 1 7 U HO2' 1.800 . 5.000 5.012 4.916 5.170 0.170 10 0 "[ . 1]" 1 85 1 8 A H2 1 9 C H1' 1.800 . 4.000 3.880 3.606 4.029 0.029 6 0 "[ . 1]" 1 86 1 8 A H2 1 37 A H1' 1.800 . 4.000 3.924 3.411 4.094 0.094 7 0 "[ . 1]" 1 87 1 7 U H1' 1 8 A H8 1.800 . 5.000 4.732 4.419 5.046 0.046 9 0 "[ . 1]" 1 88 1 8 A H1' 1 8 A H8 1.800 . 5.000 3.831 3.815 3.851 . 0 0 "[ . 1]" 1 89 1 7 U H1' 1 8 A H1' 1.800 . 6.500 5.237 5.145 5.379 . 0 0 "[ . 1]" 1 90 1 7 U H6 1 8 A H8 1.800 . 6.500 5.587 5.404 5.757 . 0 0 "[ . 1]" 1 91 1 8 A H1' 1 8 A H2 1.800 . 6.500 4.593 4.564 4.622 . 0 0 "[ . 1]" 1 92 1 8 A H1' 1 9 C H1' 1.800 . 6.500 5.001 4.745 5.333 . 0 0 "[ . 1]" 1 93 1 8 A H1' 1 9 C H5 1.800 . 6.500 6.177 5.619 6.465 . 0 0 "[ . 1]" 1 94 1 8 A H8 1 9 C H5 1.800 . 6.500 4.601 4.185 4.817 . 0 0 "[ . 1]" 1 95 1 8 A H8 1 9 C H6 1.800 . 6.500 5.115 4.830 5.479 . 0 0 "[ . 1]" 1 96 1 8 A H8 1 37 A H2 1.800 . 6.500 5.774 5.449 6.049 . 0 0 "[ . 1]" 1 97 1 7 U HO2' 1 8 A H8 1.800 . 3.000 3.440 2.225 4.345 1.345 9 6 "[** *.*- +1]" 1 98 1 8 A H1' 1 9 C H6 1.800 . 5.000 4.955 4.380 5.128 0.128 10 0 "[ . 1]" 1 99 1 9 C H1' 1 9 C H5 1.800 . 6.500 5.242 4.604 5.425 . 0 0 "[ . 1]" 1 100 1 9 C H1' 1 9 C H6 1.800 . 6.500 3.395 2.326 3.694 . 0 0 "[ . 1]" 1 101 1 8 A HO2' 1 9 C H6 1.800 . 3.000 4.451 4.219 5.052 2.052 6 10 [-****+****] 1 102 1 8 A HO2' 1 9 C H1' 1.800 . 5.000 4.569 3.289 5.395 0.395 5 0 "[ . 1]" 1 103 1 9 C H6 1 9 C HO2' 1.800 . 5.000 4.987 4.708 5.302 0.302 7 0 "[ . 1]" 1 104 1 9 C H1' 1 10 G H8 1.800 . 5.000 4.191 3.269 5.050 0.050 9 0 "[ . 1]" 1 105 1 10 G H1' 1 10 G H8 1.800 . 5.000 3.181 2.692 3.881 . 0 0 "[ . 1]" 1 106 1 10 G H1' 1 11 U H5 1.800 . 6.500 5.259 4.526 5.716 . 0 0 "[ . 1]" 1 107 1 10 G H8 1 11 U H6 1.800 . 6.500 6.205 5.764 6.561 0.061 4 0 "[ . 1]" 1 108 1 9 C HO2' 1 10 G H8 1.800 . 3.000 3.156 2.237 3.874 0.874 2 3 "[ + . -*1]" 1 109 1 9 C HO2' 1 10 G H1' 1.800 . 5.000 3.651 2.939 4.629 . 0 0 "[ . 1]" 1 110 1 10 G H1' 1 11 U H6 1.800 . 5.000 4.692 4.275 4.973 . 0 0 "[ . 1]" 1 111 1 11 U H1' 1 11 U H6 1.800 . 5.000 2.855 2.316 3.718 . 0 0 "[ . 1]" 1 112 1 10 G HO2' 1 11 U H1' 1.800 . 5.000 4.017 3.373 4.763 . 0 0 "[ . 1]" 1 113 1 12 A H1' 1 12 A H8 1.800 . 4.000 3.860 3.796 3.901 . 0 0 "[ . 1]" 1 114 1 11 U H1' 1 12 A H8 1.800 . 5.000 4.862 4.501 5.125 0.125 4 0 "[ . 1]" 1 115 1 11 U H6 1 12 A H8 1.800 . 6.500 6.107 5.289 6.454 . 0 0 "[ . 1]" 1 116 1 12 A H2 1 13 G H1' 1.800 . 6.500 6.346 5.633 6.611 0.111 2 0 "[ . 1]" 1 117 1 12 A H8 1 13 G H8 1.800 . 6.500 6.278 6.050 6.507 0.007 1 0 "[ . 1]" 1 118 1 12 A H2 1 33 A H1' 1.800 . 6.500 4.690 2.332 6.163 . 0 0 "[ . 1]" 1 119 1 11 U HO2' 1 12 A H1' 1.800 . 5.000 3.933 3.211 5.666 0.666 8 1 "[ . + 1]" 1 120 1 12 A H1' 1 13 G H8 1.800 . 5.000 3.722 2.926 4.704 . 0 0 "[ . 1]" 1 121 1 13 G H1' 1 13 G H8 1.800 . 6.500 3.401 2.665 3.914 . 0 0 "[ . 1]" 1 122 1 12 A HO2' 1 13 G H8 1.800 . 6.500 2.854 1.906 3.638 . 0 0 "[ . 1]" 1 123 1 13 G H8 1 13 G HO2' 1.800 . 6.500 5.087 4.539 5.920 . 0 0 "[ . 1]" 1 124 1 14 A H2 1 32 U H1' 1.800 . 3.000 3.082 2.974 3.160 0.160 7 0 "[ . 1]" 1 125 1 14 A H2 1 15 G H1' 1.800 . 4.000 3.954 3.780 4.078 0.078 5 0 "[ . 1]" 1 126 1 14 A H1' 1 14 A H8 1.800 . 5.000 3.822 3.779 3.851 . 0 0 "[ . 1]" 1 127 1 14 A H2 1 15 G H8 1.800 . 6.500 6.184 5.980 6.416 . 0 0 "[ . 1]" 1 128 1 14 A H1' 1 15 G H1' 1.800 . 6.500 4.847 4.514 5.231 . 0 0 "[ . 1]" 1 129 1 14 A H8 1 15 G H8 1.800 . 6.500 5.182 4.894 5.726 . 0 0 "[ . 1]" 1 130 1 13 G HO2' 1 14 A H8 1.800 . 3.000 3.272 1.985 4.975 1.975 9 3 "[ .- *+1]" 1 131 1 13 G HO2' 1 14 A H1' 1.800 . 5.000 4.048 3.343 5.559 0.559 9 1 "[ . +1]" 1 132 1 14 A H8 1 14 A HO2' 1.800 . 5.000 5.250 5.092 5.489 0.489 8 0 "[ . 1]" 1 133 1 14 A H1' 1 15 G H8 1.800 . 5.000 5.023 4.962 5.045 0.045 8 0 "[ . 1]" 1 134 1 15 G H1' 1 15 G H8 1.800 . 5.000 3.800 3.764 3.828 . 0 0 "[ . 1]" 1 135 1 15 G H1' 1 16 U H1' 1.800 . 6.500 5.216 4.974 5.372 . 0 0 "[ . 1]" 1 136 1 15 G H1' 1 16 U H5 1.800 . 6.500 5.951 5.744 6.066 . 0 0 "[ . 1]" 1 137 1 15 G H8 1 16 U H5 1.800 . 6.500 5.285 4.871 5.707 . 0 0 "[ . 1]" 1 138 1 15 G H1 1 30 C H41 1.800 . 3.500 2.783 2.555 2.935 . 0 0 "[ . 1]" 1 139 1 15 G H1 1 30 C H42 1.800 . 4.500 4.255 4.062 4.395 . 0 0 "[ . 1]" 1 140 1 15 G H1 1 16 U H1' 1.800 . 6.000 5.725 5.557 5.978 . 0 0 "[ . 1]" 1 141 1 15 G H1 1 29 A H2 1.800 . 6.000 5.128 4.851 5.373 . 0 0 "[ . 1]" 1 142 1 15 G H1 1 30 C H5 1.800 . 6.000 5.166 5.063 5.284 . 0 0 "[ . 1]" 1 143 1 15 G H1 1 31 U H1' 1.800 . 6.000 5.834 5.455 6.067 0.067 3 0 "[ . 1]" 1 144 1 15 G H1 1 16 U H5 3.500 3.500 6.500 6.218 6.054 6.309 . 0 0 "[ . 1]" 1 145 1 15 G H1 1 16 U H6 3.500 3.500 6.500 6.585 6.445 6.652 0.152 3 0 "[ . 1]" 1 146 1 15 G H1 1 30 C H1' 3.500 3.500 6.500 4.996 4.901 5.183 . 0 0 "[ . 1]" 1 147 1 14 A HO2' 1 15 G H8 1.800 . 3.000 4.288 3.810 4.680 1.680 7 10 [******+-**] 1 148 1 14 A HO2' 1 15 G H1' 1.800 . 5.000 4.010 3.329 5.169 0.169 10 0 "[ . 1]" 1 149 1 15 G H8 1 15 G HO2' 1.800 . 5.000 5.296 5.208 5.538 0.538 2 1 "[ + . 1]" 1 150 1 15 G H1' 1 16 U H6 1.800 . 5.000 4.853 4.682 4.947 . 0 0 "[ . 1]" 1 151 1 15 G H8 1 16 U H6 1.800 . 6.500 5.742 5.535 5.977 . 0 0 "[ . 1]" 1 152 1 16 U H1' 1 16 U H6 1.800 . 6.500 3.639 3.616 3.664 . 0 0 "[ . 1]" 1 153 1 16 U H3 1 29 A H2 1.800 . 3.500 3.071 2.887 3.259 . 0 0 "[ . 1]" 1 154 1 15 G H1 1 16 U H3 1.800 . 6.000 4.083 3.819 4.251 . 0 0 "[ . 1]" 1 155 1 16 U H1' 1 16 U H3 1.800 . 6.000 4.541 4.511 4.562 . 0 0 "[ . 1]" 1 156 1 16 U H3 1 17 A H2 1.800 . 6.000 5.820 5.612 6.010 0.010 9 0 "[ . 1]" 1 157 1 16 U H3 1 30 C H1' 1.800 . 6.000 5.974 5.751 6.070 0.070 10 0 "[ . 1]" 1 158 1 16 U H3 1 17 A H1' 3.500 3.500 6.500 6.130 5.833 6.299 . 0 0 "[ . 1]" 1 159 1 16 U H3 1 17 A H8 3.500 3.500 6.500 6.205 6.007 6.523 0.023 10 0 "[ . 1]" 1 160 1 16 U H3 1 30 C H41 3.500 3.500 6.500 5.181 4.861 5.578 . 0 0 "[ . 1]" 1 161 1 16 U H3 1 30 C H42 3.500 3.500 6.500 6.257 5.857 6.554 0.054 8 0 "[ . 1]" 1 162 1 15 G HO2' 1 16 U H6 1.800 . 3.000 3.843 2.871 4.458 1.458 7 8 "[ *-**+***]" 1 163 1 15 G HO2' 1 16 U H1' 1.800 . 5.000 4.167 3.212 4.929 . 0 0 "[ . 1]" 1 164 1 16 U H6 1 16 U HO2' 1.800 . 5.000 5.048 4.910 5.315 0.315 8 0 "[ . 1]" 1 165 1 17 A H2 1 18 U H1' 1.800 . 4.000 3.954 3.745 4.110 0.110 7 0 "[ . 1]" 1 166 1 17 A H2 1 29 A H1' 1.800 . 4.000 3.962 3.793 4.047 0.047 7 0 "[ . 1]" 1 167 1 16 U H1' 1 17 A H8 1.800 . 5.000 4.735 4.517 4.993 . 0 0 "[ . 1]" 1 168 1 17 A H1' 1 17 A H8 1.800 . 5.000 3.839 3.805 3.858 . 0 0 "[ . 1]" 1 169 1 17 A H1' 1 18 U H5 1.800 . 6.500 6.236 5.972 6.397 . 0 0 "[ . 1]" 1 170 1 17 A H8 1 18 U H5 1.800 . 5.000 4.984 4.829 5.077 0.077 2 0 "[ . 1]" 1 171 1 16 U H6 1 17 A H8 1.800 . 6.500 5.732 5.466 5.884 . 0 0 "[ . 1]" 1 172 1 17 A H1' 1 17 A H2 1.800 . 6.500 4.586 4.550 4.630 . 0 0 "[ . 1]" 1 173 1 17 A H1' 1 18 U H1' 1.800 . 6.500 4.894 4.751 5.144 . 0 0 "[ . 1]" 1 174 1 17 A H8 1 18 U H6 1.800 . 6.500 5.306 5.134 5.537 . 0 0 "[ . 1]" 1 175 1 16 U HO2' 1 17 A H8 1.800 . 3.000 3.142 1.957 4.271 1.271 7 4 "[ ** + -]" 1 176 1 16 U HO2' 1 17 A H1' 1.800 . 5.000 3.656 3.063 4.520 . 0 0 "[ . 1]" 1 177 1 17 A H8 1 17 A HO2' 1.800 . 5.000 5.223 5.106 5.486 0.486 3 0 "[ . 1]" 1 178 1 18 U H1' 1 18 U H6 1.800 . 5.000 3.652 3.635 3.674 . 0 0 "[ . 1]" 1 179 1 17 A H1' 1 18 U H6 1.800 . 6.500 4.993 4.898 5.041 . 0 0 "[ . 1]" 1 180 1 18 U H3 1 27 A H2 1.800 . 3.500 3.327 3.208 3.497 . 0 0 "[ . 1]" 1 181 1 18 U H3 1 19 A H1' 3.500 3.500 6.500 6.399 6.329 6.526 0.026 7 0 "[ . 1]" 1 182 1 18 U H3 1 19 A H8 3.500 3.500 6.500 6.255 6.037 6.451 . 0 0 "[ . 1]" 1 183 1 18 U H3 1 19 A H2 3.500 3.500 6.500 6.112 5.913 6.351 . 0 0 "[ . 1]" 1 184 1 17 A HO2' 1 18 U H6 1.800 . 3.000 4.201 3.336 4.660 1.660 8 8 "[** *.*-+**]" 1 185 1 17 A HO2' 1 18 U H1' 1.800 . 5.000 4.160 3.175 5.105 0.105 10 0 "[ . 1]" 1 186 1 18 U H6 1 18 U HO2' 1.800 . 5.000 5.048 4.917 5.300 0.300 10 0 "[ . 1]" 1 187 1 19 A H2 1 20 C H1' 1.800 . 4.000 3.923 3.791 4.041 0.041 8 0 "[ . 1]" 1 188 1 19 A H2 1 27 A H1' 1.800 . 4.000 3.916 3.672 4.049 0.049 8 0 "[ . 1]" 1 189 1 18 U H1' 1 19 A H8 1.800 . 5.000 4.439 4.203 4.714 . 0 0 "[ . 1]" 1 190 1 19 A H2 1 27 A H2 1.800 . 5.000 4.027 3.784 4.302 . 0 0 "[ . 1]" 1 191 1 18 U H1' 1 19 A H1' 1.800 . 6.500 5.021 4.814 5.244 . 0 0 "[ . 1]" 1 192 1 18 U H6 1 19 A H8 1.800 . 6.500 5.782 5.687 5.924 . 0 0 "[ . 1]" 1 193 1 19 A H1' 1 19 A H8 1.800 . 6.500 3.815 3.797 3.831 . 0 0 "[ . 1]" 1 194 1 19 A H1' 1 20 C H1' 1.800 . 6.500 4.967 4.786 5.318 . 0 0 "[ . 1]" 1 195 1 19 A H1' 1 20 C H5 1.800 . 6.500 6.046 5.889 6.257 . 0 0 "[ . 1]" 1 196 1 19 A H2 1 20 C H5 1.800 . 6.500 6.255 5.748 6.505 0.005 7 0 "[ . 1]" 1 197 1 19 A H8 1 20 C H6 1.800 . 6.500 5.480 5.097 5.750 . 0 0 "[ . 1]" 1 198 1 19 A H2 1 26 U H1' 1.800 . 6.500 5.164 4.848 5.415 . 0 0 "[ . 1]" 1 199 1 18 U HO2' 1 19 A H8 1.800 . 3.000 2.882 1.891 3.804 0.804 9 1 "[ . +1]" 1 200 1 18 U HO2' 1 19 A H1' 1.800 . 5.000 3.719 3.046 4.287 . 0 0 "[ . 1]" 1 201 1 19 A H8 1 19 A HO2' 1.800 . 5.000 5.311 5.085 5.593 0.593 3 2 "[ + . -]" 1 202 1 19 A H1' 1 20 C H6 1.800 . 5.000 4.897 4.815 4.988 . 0 0 "[ . 1]" 1 203 1 20 C H1' 1 20 C H6 1.800 . 5.000 3.649 3.631 3.671 . 0 0 "[ . 1]" 1 204 1 20 C H6 1 21 U H5 1.800 . 6.500 3.762 3.514 4.157 . 0 0 "[ . 1]" 1 205 1 19 A HO2' 1 20 C H6 1.800 . 3.000 3.991 3.094 4.617 1.617 4 8 "[** +**-**1]" 1 206 1 19 A HO2' 1 20 C H1' 1.800 . 5.000 4.147 3.148 5.090 0.090 4 0 "[ . 1]" 1 207 1 20 C H6 1 20 C HO2' 1.800 . 5.000 4.996 4.912 5.151 0.151 5 0 "[ . 1]" 1 208 1 20 C HO2' 1 21 U H6 1.800 . 3.000 4.679 4.201 4.930 1.930 1 10 [+***-*****] 1 209 1 20 C H1' 1 21 U H6 1.800 . 5.000 5.010 4.906 5.072 0.072 7 0 "[ . 1]" 1 210 1 21 U H4' 1 22 U H5 1.800 . 5.000 2.293 2.239 2.356 . 0 0 "[ . 1]" 1 211 1 21 U H1' 1 21 U H6 1.800 . 5.000 3.663 3.634 3.684 . 0 0 "[ . 1]" 1 212 1 21 U H1' 1 21 U HO2' 1.800 . 3.500 2.175 1.939 2.426 . 0 0 "[ . 1]" 1 213 1 21 U H2' 1 24 G H21 1.800 . 4.500 4.585 4.534 4.651 0.151 10 0 "[ . 1]" 1 214 1 21 U HO2' 1 22 U HO2' 1.800 . 5.000 4.471 3.736 5.222 0.222 9 0 "[ . 1]" 1 215 1 21 U H6 1 23 C H5 1.800 . 6.500 5.207 5.054 5.411 . 0 0 "[ . 1]" 1 216 1 20 C H5 1 21 U H5 1.800 . 5.000 3.873 3.559 4.463 . 0 0 "[ . 1]" 1 217 1 20 C H1' 1 21 U H5 1.800 . 6.500 6.000 5.830 6.144 . 0 0 "[ . 1]" 1 218 1 20 C H6 1 21 U H6 1.800 . 6.500 4.426 4.062 4.925 . 0 0 "[ . 1]" 1 219 1 21 U H1' 1 21 U H2' 1.800 . 3.500 2.835 2.814 2.846 . 0 0 "[ . 1]" 1 220 1 21 U H2' 1 21 U HO2' 1.800 . 3.500 2.432 2.246 2.717 . 0 0 "[ . 1]" 1 221 1 21 U H2' 1 23 C H5 3.500 3.500 6.500 2.544 2.377 2.785 1.123 1 10 [+**-******] 1 222 1 20 C HO2' 1 21 U H1' 1.800 . 5.000 4.972 3.873 5.816 0.816 10 1 "[ . +]" 1 223 1 21 U H6 1 21 U HO2' 1.800 . 5.000 5.008 4.926 5.119 0.119 10 0 "[ . 1]" 1 224 1 21 U H1' 1 22 U HO2' 1.800 . 6.500 6.485 5.605 7.014 0.514 6 1 "[ .+ 1]" 1 225 1 21 U H2' 1 22 U H6 1.800 . 4.500 3.739 3.669 3.815 . 0 0 "[ . 1]" 1 226 1 22 U H3' 1 22 U H6 1.800 . 4.000 3.802 3.661 3.898 . 0 0 "[ . 1]" 1 227 1 22 U H6 1 23 C H5 1.800 . 5.000 4.842 4.779 4.911 . 0 0 "[ . 1]" 1 228 1 21 U H1' 1 22 U H6 1.800 . 6.500 4.522 4.383 4.730 . 0 0 "[ . 1]" 1 229 1 22 U H1' 1 22 U H6 1.800 . 5.000 3.727 3.713 3.743 . 0 0 "[ . 1]" 1 230 1 21 U HO2' 1 22 U H1' 1.800 . 6.500 4.988 4.718 5.240 . 0 0 "[ . 1]" 1 231 1 21 U HO2' 1 23 C H5 1.800 . 4.000 4.258 3.709 4.708 0.708 9 3 "[* - . +1]" 1 232 1 22 U H6 1 23 C H6 1.800 . 6.500 5.692 5.550 5.787 . 0 0 "[ . 1]" 1 233 1 21 U HO2' 1 23 C H6 1.800 . 6.500 4.663 4.072 5.278 . 0 0 "[ . 1]" 1 234 1 22 U H3' 1 23 C H6 1.800 . 3.000 2.727 2.643 2.929 . 0 0 "[ . 1]" 1 235 1 23 C H1' 1 23 C H6 1.800 . 5.000 3.613 3.593 3.636 . 0 0 "[ . 1]" 1 236 1 21 U H1' 1 23 C H5 1.800 . 6.500 5.243 5.026 5.525 . 0 0 "[ . 1]" 1 237 1 22 U H5 1 23 C H5 1.800 . 6.500 6.594 6.526 6.635 0.135 4 0 "[ . 1]" 1 238 1 22 U HO2' 1 23 C H6 1.800 . 5.000 4.181 3.059 5.125 0.125 8 0 "[ . 1]" 1 239 1 22 U H1' 1 23 C H6 1.800 . 6.500 6.071 5.891 6.287 . 0 0 "[ . 1]" 1 240 1 23 C H1' 1 24 G H1 1.800 . 4.500 4.279 4.115 4.533 0.033 1 0 "[ . 1]" 1 241 1 21 U H2' 1 24 G H1 1.800 . 3.500 3.523 3.405 3.671 0.171 1 0 "[ . 1]" 1 242 1 22 U HO2' 1 24 G H1 3.000 3.000 6.500 4.507 3.741 5.087 . 0 0 "[ . 1]" 1 243 1 21 U HO2' 1 24 G H21 1.800 . 4.500 4.082 3.799 4.481 . 0 0 "[ . 1]" 1 244 1 21 U H5 1 24 G H1 3.000 3.000 6.500 6.904 6.808 6.971 0.471 1 0 "[ . 1]" 1 245 1 23 C H4' 1 24 G H5'' 1.800 . 4.000 2.622 2.460 2.807 . 0 0 "[ . 1]" 1 246 1 23 C H4' 1 24 G H5' 1.800 . 5.000 3.884 3.719 4.094 . 0 0 "[ . 1]" 1 247 1 23 C H4' 1 24 G H3' 1.800 . 5.000 4.823 4.721 4.955 . 0 0 "[ . 1]" 1 248 1 24 G H1' 1 24 G H8 1.800 . 3.000 2.557 2.541 2.578 . 0 0 "[ . 1]" 1 249 1 24 G H3' 1 24 G H8 1.800 . 6.500 5.614 5.574 5.654 . 0 0 "[ . 1]" 1 250 1 21 U H1' 1 24 G H1 1.800 . 4.500 2.707 2.534 2.933 . 0 0 "[ . 1]" 1 251 1 21 U HO2' 1 24 G H1 1.800 . 4.500 2.089 1.860 2.512 . 0 0 "[ . 1]" 1 252 1 23 C H6 1 24 G H1 3.500 3.500 6.500 4.470 4.277 4.736 . 0 0 "[ . 1]" 1 253 1 24 G H1 1 25 G H8 3.500 3.500 6.500 6.089 5.745 6.354 . 0 0 "[ . 1]" 1 254 1 24 G H8 1 24 G HO2' 1.800 . 5.000 4.051 3.707 4.638 . 0 0 "[ . 1]" 1 255 1 21 U HO2' 1 25 G H1 3.500 3.500 6.500 5.263 4.803 5.789 . 0 0 "[ . 1]" 1 256 1 21 U H5 1 25 G H1 3.000 3.000 6.500 5.940 5.382 6.181 . 0 0 "[ . 1]" 1 257 1 24 G H3' 1 25 G H8 1.800 . 5.000 2.507 2.317 2.834 . 0 0 "[ . 1]" 1 258 1 24 G H1' 1 25 G H8 1.800 . 6.500 5.501 5.187 5.791 . 0 0 "[ . 1]" 1 259 1 25 G H8 1 26 U H5 1.800 . 6.500 5.347 5.012 5.675 . 0 0 "[ . 1]" 1 260 1 25 G H8 1 26 U H6 1.800 . 6.500 5.503 5.339 5.831 . 0 0 "[ . 1]" 1 261 1 20 C H41 1 25 G H1 1.800 . 3.500 2.934 2.678 3.110 . 0 0 "[ . 1]" 1 262 1 20 C H42 1 25 G H1 1.800 . 4.500 4.331 4.089 4.533 0.033 1 0 "[ . 1]" 1 263 1 20 C H5 1 25 G H1 1.800 . 6.000 5.135 4.967 5.320 . 0 0 "[ . 1]" 1 264 1 21 U H1' 1 25 G H1 1.800 . 6.000 3.573 3.266 3.942 . 0 0 "[ . 1]" 1 265 1 25 G H1 1 26 U H1' 1.800 . 6.000 5.470 5.326 5.695 . 0 0 "[ . 1]" 1 266 1 20 C H1' 1 25 G H1 3.500 3.500 6.500 4.936 4.855 5.089 . 0 0 "[ . 1]" 1 267 1 23 C H41 1 25 G H1 3.500 3.500 6.500 6.597 6.463 6.649 0.149 9 0 "[ . 1]" 1 268 1 24 G H1 1 25 G H1 3.500 3.500 6.500 4.263 3.823 4.759 . 0 0 "[ . 1]" 1 269 1 25 G H1 1 26 U H6 3.500 3.500 6.500 6.595 6.540 6.651 0.151 9 0 "[ . 1]" 1 270 1 25 G H1' 1 25 G H8 1.800 . 4.000 3.782 3.742 3.807 . 0 0 "[ . 1]" 1 271 1 24 G HO2' 1 25 G H1' 1.800 . 5.000 4.925 4.180 5.738 0.738 7 2 "[- . + 1]" 1 272 1 24 G HO2' 1 25 G H8 1.800 . 5.000 4.716 4.021 5.040 0.040 5 0 "[ . 1]" 1 273 1 26 U H1' 1 26 U H6 1.800 . 5.000 3.621 3.604 3.639 . 0 0 "[ . 1]" 1 274 1 19 A H2 1 26 U H3 1.800 . 3.500 2.887 2.659 3.307 . 0 0 "[ . 1]" 1 275 1 20 C H1' 1 26 U H3 1.800 . 6.000 6.035 5.883 6.101 0.101 1 0 "[ . 1]" 1 276 1 20 C H41 1 26 U H3 1.800 . 6.000 4.545 4.091 4.828 . 0 0 "[ . 1]" 1 277 1 25 G H1 1 26 U H3 1.800 . 6.000 4.210 3.965 4.388 . 0 0 "[ . 1]" 1 278 1 26 U H1' 1 26 U H3 1.800 . 6.000 4.567 4.539 4.584 . 0 0 "[ . 1]" 1 279 1 25 G H21 1 26 U H3 3.500 3.500 6.500 4.500 3.926 4.822 . 0 0 "[ . 1]" 1 280 1 26 U H3 1 27 A H1' 3.500 3.500 6.500 5.628 5.096 6.250 . 0 0 "[ . 1]" 1 281 1 26 U H3 1 27 A H2 3.500 3.500 6.500 5.663 5.445 5.814 . 0 0 "[ . 1]" 1 282 1 26 U H3 1 27 A H8 3.500 3.500 6.500 6.075 5.646 6.313 . 0 0 "[ . 1]" 1 283 1 25 G H1' 1 26 U H6 1.800 . 5.000 4.939 4.854 4.997 . 0 0 "[ . 1]" 1 284 1 26 U H6 1 26 U HO2' 1.800 . 5.000 5.140 4.923 5.413 0.413 5 0 "[ . 1]" 1 285 1 25 G H1' 1 26 U H1' 1.800 . 6.500 4.853 4.645 5.171 . 0 0 "[ . 1]" 1 286 1 19 A H1' 1 27 A H2 1.800 . 4.000 4.076 4.022 4.143 0.143 1 0 "[ . 1]" 1 287 1 27 A H2 1 28 U H1' 1.800 . 4.000 3.994 3.869 4.114 0.114 2 0 "[ . 1]" 1 288 1 26 U H1' 1 27 A H8 1.800 . 5.000 4.951 4.806 5.040 0.040 2 0 "[ . 1]" 1 289 1 27 A H1' 1 27 A H8 1.800 . 5.000 3.825 3.790 3.840 . 0 0 "[ . 1]" 1 290 1 26 U H6 1 27 A H8 1.800 . 6.500 5.701 5.407 5.887 . 0 0 "[ . 1]" 1 291 1 27 A H8 1 28 U H6 1.800 . 6.500 5.566 5.275 5.956 . 0 0 "[ . 1]" 1 292 1 26 U HO2' 1 27 A H8 1.800 . 3.000 3.351 2.076 4.550 1.550 9 5 "[ **-. +*]" 1 293 1 26 U HO2' 1 27 A H1' 1.800 . 5.000 3.633 3.024 4.522 . 0 0 "[ . 1]" 1 294 1 27 A H8 1 27 A HO2' 1.800 . 5.000 5.220 5.104 5.324 0.324 10 0 "[ . 1]" 1 295 1 19 A H2 1 27 A H8 1.800 . 6.500 6.148 6.001 6.374 . 0 0 "[ . 1]" 1 296 1 27 A H1' 1 28 U H5 1.800 . 6.500 6.130 5.776 6.369 . 0 0 "[ . 1]" 1 297 1 27 A H1' 1 28 U H6 1.800 . 5.000 4.941 4.676 5.032 0.032 7 0 "[ . 1]" 1 298 1 17 A H2 1 28 U H3 1.800 . 3.500 3.196 3.037 3.343 . 0 0 "[ . 1]" 1 299 1 28 U H3 1 29 A H1' 1.800 . 6.000 6.001 5.864 6.079 0.079 5 0 "[ . 1]" 1 300 1 28 U H3 1 29 A H8 3.500 3.500 6.500 6.088 5.989 6.235 . 0 0 "[ . 1]" 1 301 1 27 A HO2' 1 28 U H6 1.800 . 3.000 4.198 3.645 4.618 1.618 6 10 [*-***+****] 1 302 1 27 A HO2' 1 28 U H1' 1.800 . 5.000 4.246 3.397 5.231 0.231 9 0 "[ . 1]" 1 303 1 28 U H6 1 28 U HO2' 1.800 . 5.000 5.002 4.896 5.140 0.140 3 0 "[ . 1]" 1 304 1 17 A H1' 1 29 A H2 1.800 . 4.000 4.042 3.933 4.087 0.087 10 0 "[ . 1]" 1 305 1 29 A H2 1 30 C H1' 1.800 . 4.000 3.893 3.717 3.999 . 0 0 "[ . 1]" 1 306 1 17 A H2 1 29 A H2 1.800 . 5.000 3.933 3.724 4.247 . 0 0 "[ . 1]" 1 307 1 28 U H1' 1 29 A H8 1.800 . 5.000 4.730 4.371 4.963 . 0 0 "[ . 1]" 1 308 1 29 A H1' 1 29 A H8 1.800 . 5.000 3.834 3.801 3.847 . 0 0 "[ . 1]" 1 309 1 16 U H1' 1 29 A H2 1.800 . 6.500 4.889 4.641 4.998 . 0 0 "[ . 1]" 1 310 1 28 U H6 1 29 A H8 1.800 . 6.500 5.677 5.528 5.848 . 0 0 "[ . 1]" 1 311 1 29 A H1' 1 29 A H2 1.800 . 6.500 4.592 4.570 4.627 . 0 0 "[ . 1]" 1 312 1 29 A H1' 1 30 C H1' 1.800 . 6.500 4.853 4.661 5.086 . 0 0 "[ . 1]" 1 313 1 29 A H1' 1 30 C H5 1.800 . 6.500 6.329 6.192 6.531 0.031 8 0 "[ . 1]" 1 314 1 29 A H8 1 30 C H5 1.800 . 6.500 5.057 4.674 5.332 . 0 0 "[ . 1]" 1 315 1 29 A H8 1 30 C H6 1.800 . 6.500 5.263 5.026 5.466 . 0 0 "[ . 1]" 1 316 1 28 U HO2' 1 29 A H8 1.800 . 3.000 3.496 2.090 4.216 1.216 2 6 "[ + ** -**]" 1 317 1 28 U HO2' 1 29 A H1' 1.800 . 5.000 3.875 3.082 4.755 . 0 0 "[ . 1]" 1 318 1 29 A H8 1 29 A HO2' 1.800 . 5.000 5.264 5.122 5.456 0.456 1 0 "[ . 1]" 1 319 1 17 A H2 1 29 A H8 1.800 . 6.500 6.048 5.921 6.165 . 0 0 "[ . 1]" 1 320 1 29 A H1' 1 30 C H6 1.800 . 5.000 5.006 4.988 5.033 0.033 2 0 "[ . 1]" 1 321 1 30 C H1' 1 30 C H6 1.800 . 5.000 3.648 3.601 3.668 . 0 0 "[ . 1]" 1 322 1 30 C H1' 1 30 C H5 1.800 . 6.500 5.379 5.344 5.395 . 0 0 "[ . 1]" 1 323 1 29 A HO2' 1 30 C H6 1.800 . 3.000 4.194 3.622 4.685 1.685 5 10 [-***+*****] 1 324 1 29 A HO2' 1 30 C H1' 1.800 . 5.000 4.007 3.273 4.916 . 0 0 "[ . 1]" 1 325 1 30 C H6 1 30 C HO2' 1.800 . 5.000 5.088 4.958 5.352 0.352 3 0 "[ . 1]" 1 326 1 31 U H1' 1 31 U H6 1.800 . 5.000 3.613 3.590 3.632 . 0 0 "[ . 1]" 1 327 1 14 A H2 1 31 U H3 1.800 . 3.500 3.183 2.889 3.456 . 0 0 "[ . 1]" 1 328 1 31 U H3 1 31 U H5 3.500 3.500 6.500 4.209 4.204 4.214 . 0 0 "[ . 1]" 1 329 1 30 C HO2' 1 31 U H6 1.800 . 3.000 2.921 1.849 3.543 0.543 5 2 "[ + -1]" 1 330 1 30 C HO2' 1 31 U H1' 1.800 . 5.000 3.761 3.036 4.447 . 0 0 "[ . 1]" 1 331 1 31 U H6 1 31 U HO2' 1.800 . 5.000 5.088 4.907 5.310 0.310 6 0 "[ . 1]" 1 332 1 30 C H6 1 31 U H6 1.800 . 6.500 5.819 5.744 6.000 . 0 0 "[ . 1]" 1 333 1 31 U H6 1 32 U H6 1.800 . 6.500 5.504 4.809 5.750 . 0 0 "[ . 1]" 1 334 1 32 U H1' 1 32 U H6 1.800 . 5.000 3.566 2.332 3.736 . 0 0 "[ . 1]" 1 335 1 31 U H1' 1 32 U H5 1.800 . 6.500 6.370 6.059 6.493 . 0 0 "[ . 1]" 1 336 1 31 U H1' 1 32 U H6 1.800 . 6.500 5.228 4.571 5.456 . 0 0 "[ . 1]" 1 337 1 31 U H5 1 32 U H5 1.800 . 6.500 5.296 3.635 5.790 . 0 0 "[ . 1]" 1 338 1 32 U H1' 1 32 U H5 1.800 . 6.500 5.348 4.593 5.458 . 0 0 "[ . 1]" 1 339 1 31 U HO2' 1 32 U H6 1.800 . 3.000 4.363 3.770 4.977 1.977 7 10 [******+-**] 1 340 1 31 U HO2' 1 32 U H1' 1.800 . 5.000 4.065 3.227 5.176 0.176 10 0 "[ . 1]" 1 341 1 32 U H6 1 32 U HO2' 1.800 . 5.000 4.909 4.766 5.211 0.211 10 0 "[ . 1]" 1 342 1 33 A H2 1 34 U H1' 1.800 . 4.000 3.852 3.447 4.063 0.063 4 0 "[ . 1]" 1 343 1 12 A H1' 1 33 A H2 1.800 . 5.000 4.200 3.352 5.057 0.057 9 0 "[ . 1]" 1 344 1 32 U H1' 1 33 A H8 1.800 . 5.000 4.959 4.695 5.117 0.117 9 0 "[ . 1]" 1 345 1 33 A H1' 1 33 A H8 1.800 . 5.000 3.759 3.687 3.796 . 0 0 "[ . 1]" 1 346 1 32 U H6 1 33 A H8 1.800 . 6.500 5.049 3.933 6.397 . 0 0 "[ . 1]" 1 347 1 33 A H1' 1 34 U H1' 1.800 . 6.500 5.550 4.981 5.910 . 0 0 "[ . 1]" 1 348 1 33 A H1' 1 34 U H5 1.800 . 6.500 6.183 5.775 6.547 0.047 6 0 "[ . 1]" 1 349 1 33 A H8 1 34 U H5 1.800 . 6.500 5.465 5.060 5.980 . 0 0 "[ . 1]" 1 350 1 33 A H8 1 34 U H6 1.800 . 6.500 6.267 5.953 6.459 . 0 0 "[ . 1]" 1 351 1 32 U HO2' 1 33 A H8 1.800 . 3.000 3.536 2.229 4.589 1.589 3 6 "[* +-.* **1]" 1 352 1 12 A H2 1 33 A H2 1.800 . 5.000 3.771 2.901 4.804 . 0 0 "[ . 1]" 1 353 1 32 U HO2' 1 33 A H1' 1.800 . 5.000 4.688 3.469 6.068 1.068 8 2 "[ - . + 1]" 1 354 1 11 U H1' 1 33 A H2 1.800 . 6.500 5.495 4.484 6.205 . 0 0 "[ . 1]" 1 355 1 33 A HO2' 1 34 U H6 1.800 . 3.000 4.330 3.627 4.868 1.868 3 10 [**+******-] 1 356 1 34 U H6 1 34 U HO2' 1.800 . 4.000 4.741 4.711 4.803 0.803 4 10 [***+*-****] 1 357 1 33 A HO2' 1 34 U H1' 1.800 . 5.000 4.325 3.177 5.148 0.148 2 0 "[ . 1]" 1 358 1 10 G H1' 1 35 A H2 1.800 . 4.000 3.507 2.846 3.902 . 0 0 "[ . 1]" 1 359 1 35 A H2 1 36 U H1' 1.800 . 4.000 3.909 3.613 4.036 0.036 3 0 "[ . 1]" 1 360 1 34 U H1' 1 35 A H8 1.800 . 5.000 3.851 3.373 4.414 . 0 0 "[ . 1]" 1 361 1 35 A H1' 1 35 A H8 1.800 . 5.000 3.749 3.687 3.783 . 0 0 "[ . 1]" 1 362 1 10 G H8 1 35 A H2 1.800 . 6.500 4.791 3.013 6.523 0.023 10 0 "[ . 1]" 1 363 1 34 U H5 1 35 A H8 1.800 . 6.500 6.578 6.427 6.711 0.211 2 0 "[ . 1]" 1 364 1 34 U H6 1 35 A H8 1.800 . 6.500 5.168 5.045 5.275 . 0 0 "[ . 1]" 1 365 1 35 A H8 1 36 U H5 1.800 . 6.500 5.771 5.364 6.395 . 0 0 "[ . 1]" 1 366 1 35 A H8 1 36 U H6 1.800 . 6.500 6.076 5.609 6.356 . 0 0 "[ . 1]" 1 367 1 34 U HO2' 1 35 A H8 1.800 . 3.000 2.940 1.951 3.605 0.605 9 1 "[ . +1]" 1 368 1 35 A H8 1 35 A HO2' 1.800 . 5.000 5.405 5.204 5.722 0.722 9 2 "[ . +-]" 1 369 1 35 A H1' 1 36 U H6 1.800 . 5.000 4.828 4.493 5.067 0.067 5 0 "[ . 1]" 1 370 1 36 U H1' 1 36 U H6 1.800 . 6.500 3.592 3.555 3.612 . 0 0 "[ . 1]" 1 371 1 8 A H2 1 36 U H3 1.800 . 3.500 2.963 2.552 3.393 . 0 0 "[ . 1]" 1 372 1 35 A HO2' 1 36 U H6 1.800 . 3.000 3.461 2.300 4.496 1.496 2 6 "[-+ **** 1]" 1 373 1 35 A HO2' 1 36 U H1' 1.800 . 5.000 4.221 3.133 5.618 0.618 5 1 "[ + 1]" 1 374 1 36 U H6 1 36 U HO2' 1.800 . 5.000 5.222 4.942 5.463 0.463 2 0 "[ . 1]" 1 375 1 8 A H1' 1 37 A H2 1.800 . 4.000 4.043 3.917 4.140 0.140 1 0 "[ . 1]" 1 376 1 37 A H2 1 38 C H1' 1.800 . 4.000 3.960 3.636 4.106 0.106 10 0 "[ . 1]" 1 377 1 36 U H1' 1 37 A H8 1.800 . 5.000 4.950 4.809 5.047 0.047 1 0 "[ . 1]" 1 378 1 37 A H1' 1 37 A H8 1.800 . 5.000 3.818 3.789 3.851 . 0 0 "[ . 1]" 1 379 1 7 U H1' 1 37 A H2 1.800 . 6.500 4.739 4.555 5.097 . 0 0 "[ . 1]" 1 380 1 8 A H2 1 37 A H2 1.800 . 6.500 4.208 3.769 4.473 . 0 0 "[ . 1]" 1 381 1 36 U H6 1 37 A H8 1.800 . 6.500 5.594 4.931 5.932 . 0 0 "[ . 1]" 1 382 1 37 A H8 1 38 C H6 1.800 . 6.500 5.610 5.143 5.997 . 0 0 "[ . 1]" 1 383 1 37 A H1' 1 38 C H5 1.800 . 6.500 5.909 5.335 6.284 . 0 0 "[ . 1]" 1 384 1 36 U HO2' 1 37 A H8 1.800 . 3.000 3.499 2.431 4.784 1.784 4 6 "[* *+- * *]" 1 385 1 36 U HO2' 1 37 A H1' 1.800 . 5.000 3.930 2.962 5.471 0.471 4 0 "[ . 1]" 1 386 1 37 A H8 1 37 A HO2' 1.800 . 5.000 5.232 5.108 5.478 0.478 9 0 "[ . 1]" 1 387 1 37 A H1' 1 37 A H2 1.800 . 6.500 4.618 4.571 4.670 . 0 0 "[ . 1]" 1 388 1 37 A H2 1 38 C H6 1.800 . 6.500 5.776 5.461 6.049 . 0 0 "[ . 1]" 1 389 1 37 A H1' 1 38 C H6 1.800 . 5.000 4.824 4.401 5.001 0.001 6 0 "[ . 1]" 1 390 1 38 C H1' 1 38 C H6 1.800 . 5.000 3.651 3.637 3.674 . 0 0 "[ . 1]" 1 391 1 38 C H5 1 38 C H6 1.800 . 6.500 2.452 2.449 2.455 . 0 0 "[ . 1]" 1 392 1 38 C H6 1 39 U H5 1.800 . 6.500 4.951 4.698 5.176 . 0 0 "[ . 1]" 1 393 1 37 A HO2' 1 38 C H6 1.800 . 3.000 4.016 2.584 4.660 1.660 7 8 "[**- **+* *]" 1 394 1 37 A HO2' 1 38 C H1' 1.800 . 5.000 4.379 3.204 5.081 0.081 6 0 "[ . 1]" 1 395 1 38 C H6 1 38 C HO2' 1.800 . 5.000 4.989 4.910 5.142 0.142 3 0 "[ . 1]" 1 396 1 38 C H1' 1 39 U H6 1.800 . 5.000 4.961 4.838 5.022 0.022 2 0 "[ . 1]" 1 397 1 39 U H1' 1 39 U H6 1.800 . 5.000 3.647 3.630 3.675 . 0 0 "[ . 1]" 1 398 1 38 C H6 1 39 U H6 1.800 . 6.500 5.341 5.235 5.526 . 0 0 "[ . 1]" 1 399 1 39 U H6 1 40 U H5 1.800 . 6.500 5.038 4.695 5.434 . 0 0 "[ . 1]" 1 400 1 5 A H2 1 39 U H3 1.800 . 3.500 3.294 3.088 3.485 . 0 0 "[ . 1]" 1 401 1 6 G H1' 1 39 U H3 1.800 . 6.000 6.110 6.038 6.207 0.207 2 0 "[ . 1]" 1 402 1 38 C H42 1 39 U H3 1.800 . 6.000 5.820 5.712 5.923 . 0 0 "[ . 1]" 1 403 1 39 U H3 1 40 U H1' 1.800 . 6.000 5.111 4.939 5.370 . 0 0 "[ . 1]" 1 404 1 6 G H1 1 39 U H3 3.500 3.500 6.500 4.020 3.756 4.230 . 0 0 "[ . 1]" 1 405 1 38 C H41 1 39 U H3 3.500 3.500 6.500 4.899 4.751 5.101 . 0 0 "[ . 1]" 1 406 1 38 C H5 1 39 U H3 3.500 3.500 6.500 6.603 6.546 6.639 0.139 7 0 "[ . 1]" 1 407 1 39 U H3 1 40 U H5 3.500 3.500 6.500 5.958 5.745 6.116 . 0 0 "[ . 1]" 1 408 1 39 U H3 1 40 U H6 3.500 3.500 6.500 5.953 5.837 6.086 . 0 0 "[ . 1]" 1 409 1 38 C HO2' 1 39 U H6 1.800 . 3.000 4.231 3.733 4.520 1.520 4 10 [**-+******] 1 410 1 38 C HO2' 1 39 U H1' 1.800 . 5.000 4.432 3.423 4.936 . 0 0 "[ . 1]" 1 411 1 39 U H6 1 39 U HO2' 1.800 . 5.000 4.990 4.866 5.132 0.132 5 0 "[ . 1]" 1 412 1 39 U H1' 1 40 U H6 1.800 . 5.000 5.019 4.874 5.078 0.078 7 0 "[ . 1]" 1 413 1 40 U H1' 1 40 U H6 1.800 . 5.000 3.655 3.630 3.674 . 0 0 "[ . 1]" 1 414 1 39 U H1' 1 40 U H5 1.800 . 6.500 6.271 6.160 6.484 . 0 0 "[ . 1]" 1 415 1 39 U H5 1 40 U H5 1.800 . 6.500 5.352 4.892 5.972 . 0 0 "[ . 1]" 1 416 1 39 U H6 1 40 U H6 1.800 . 6.500 5.270 4.963 5.624 . 0 0 "[ . 1]" 1 417 1 40 U H1' 1 40 U H5 1.800 . 6.500 5.388 5.364 5.401 . 0 0 "[ . 1]" 1 418 1 4 G H1 1 40 U H3 1.800 . 3.500 2.920 2.645 3.139 . 0 0 "[ . 1]" 1 419 1 5 A H2 1 40 U H3 1.800 . 4.500 4.531 4.489 4.582 0.082 8 0 "[ . 1]" 1 420 1 40 U H3 1 41 A H1' 3.500 3.500 6.500 6.556 6.442 6.603 0.103 7 0 "[ . 1]" 1 421 1 40 U H1' 1 40 U H3 3.500 3.500 6.500 4.533 4.521 4.542 . 0 0 "[ . 1]" 1 422 1 40 U H3 1 41 A H8 3.500 3.500 6.500 6.210 6.049 6.312 . 0 0 "[ . 1]" 1 423 1 39 U HO2' 1 40 U H6 1.800 . 3.000 4.141 3.411 4.725 1.725 8 9 [****.-*+**] 1 424 1 39 U HO2' 1 40 U H1' 1.800 . 5.000 4.150 3.139 4.952 . 0 0 "[ . 1]" 1 425 1 40 U H6 1 40 U HO2' 1.800 . 5.000 5.001 4.902 5.131 0.131 5 0 "[ . 1]" 1 426 1 4 G H1' 1 41 A H2 1.800 . 4.000 3.945 3.760 4.100 0.100 10 0 "[ . 1]" 1 427 1 41 A H2 1 42 C H1' 1.800 . 4.000 4.016 3.771 4.108 0.108 4 0 "[ . 1]" 1 428 1 40 U H1' 1 41 A H8 1.800 . 5.000 4.235 4.119 4.301 . 0 0 "[ . 1]" 1 429 1 41 A H1' 1 41 A H8 1.800 . 5.000 3.801 3.776 3.821 . 0 0 "[ . 1]" 1 430 1 3 U H1' 1 41 A H2 1.800 . 6.500 4.667 4.543 4.784 . 0 0 "[ . 1]" 1 431 1 5 A H2 1 41 A H8 1.800 . 6.500 6.612 6.561 6.646 0.146 6 0 "[ . 1]" 1 432 1 40 U H6 1 41 A H8 1.800 . 6.500 5.724 5.640 5.854 . 0 0 "[ . 1]" 1 433 1 41 A H1' 1 41 A H2 1.800 . 6.500 4.614 4.587 4.656 . 0 0 "[ . 1]" 1 434 1 41 A H1' 1 42 C H1' 1.800 . 6.500 5.025 4.902 5.232 . 0 0 "[ . 1]" 1 435 1 41 A H1' 1 42 C H5 1.800 . 6.500 6.110 5.975 6.296 . 0 0 "[ . 1]" 1 436 1 41 A H8 1 42 C H5 1.800 . 6.500 5.269 4.959 5.481 . 0 0 "[ . 1]" 1 437 1 41 A H8 1 42 C H6 1.800 . 6.500 5.616 5.259 5.849 . 0 0 "[ . 1]" 1 438 1 40 U HO2' 1 41 A H8 1.800 . 3.000 2.894 2.523 3.179 0.179 8 0 "[ . 1]" 1 439 1 41 A H8 1 41 A HO2' 1.800 . 5.000 5.246 5.097 5.469 0.469 8 0 "[ . 1]" 1 440 1 40 U HO2' 1 41 A H1' 1.800 . 6.500 4.045 3.224 4.376 . 0 0 "[ . 1]" 1 441 1 41 A H1' 1 42 C H6 1.800 . 5.000 4.939 4.813 5.011 0.011 8 0 "[ . 1]" 1 442 1 42 C H1' 1 42 C H6 1.800 . 5.000 3.652 3.635 3.671 . 0 0 "[ . 1]" 1 443 1 42 C H1' 1 42 C H5 1.800 . 6.500 5.387 5.378 5.402 . 0 0 "[ . 1]" 1 444 1 41 A HO2' 1 42 C H6 1.800 . 3.000 4.056 3.324 4.738 1.738 4 8 "[***+. *-**]" 1 445 1 41 A HO2' 1 42 C H1' 1.800 . 5.000 4.198 3.275 5.278 0.278 1 0 "[ . 1]" 1 446 1 42 C H6 1 42 C HO2' 1.800 . 5.000 5.080 4.899 5.341 0.341 4 0 "[ . 1]" 1 447 1 43 C H1' 1 43 C H6 1.800 . 5.000 3.672 3.649 3.711 . 0 0 "[ . 1]" 1 448 1 42 C H1' 1 43 C H1' 1.800 . 6.500 5.843 5.445 6.107 . 0 0 "[ . 1]" 1 449 1 42 C H5 1 43 C H5 1.800 . 6.500 5.182 4.819 5.583 . 0 0 "[ . 1]" 1 450 1 42 C H6 1 43 C H6 1.800 . 6.500 5.553 5.357 5.777 . 0 0 "[ . 1]" 1 451 1 43 C H1' 1 43 C H5 1.800 . 6.500 5.408 5.395 5.438 . 0 0 "[ . 1]" 1 452 1 42 C HO2' 1 43 C H6 1.800 . 3.000 3.560 2.119 4.686 1.686 7 6 "[ * **+ -*]" 1 453 1 42 C HO2' 1 43 C H1' 1.800 . 5.000 4.348 3.523 5.380 0.380 7 0 "[ . 1]" 1 454 1 43 C H6 1 43 C HO2' 1.800 . 5.000 5.050 4.807 5.215 0.215 5 0 "[ . 1]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 72 _Distance_constraint_stats_list.Viol_count 169 _Distance_constraint_stats_list.Viol_total 76.828 _Distance_constraint_stats_list.Viol_max 0.142 _Distance_constraint_stats_list.Viol_rms 0.0251 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0107 _Distance_constraint_stats_list.Viol_average_violations_only 0.0455 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . 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 0.539 0.070 8 0 "[ . 1]" 1 2 G 0.883 0.098 2 0 "[ . 1]" 1 3 U 1.132 0.131 7 0 "[ . 1]" 1 4 G 0.103 0.059 9 0 "[ . 1]" 1 5 A 0.072 0.035 10 0 "[ . 1]" 1 6 G 0.365 0.082 2 0 "[ . 1]" 1 7 U 0.492 0.094 5 0 "[ . 1]" 1 8 A 0.518 0.112 10 0 "[ . 1]" 1 14 A 0.314 0.062 8 0 "[ . 1]" 1 15 G 1.372 0.142 6 0 "[ . 1]" 1 16 U 0.116 0.067 10 0 "[ . 1]" 1 17 A 0.399 0.073 1 0 "[ . 1]" 1 18 U 0.995 0.109 2 0 "[ . 1]" 1 19 A 0.035 0.024 4 0 "[ . 1]" 1 20 C 0.291 0.055 4 0 "[ . 1]" 1 21 U 0.057 0.031 5 0 "[ . 1]" 1 24 G 0.057 0.031 5 0 "[ . 1]" 1 25 G 0.291 0.055 4 0 "[ . 1]" 1 26 U 0.035 0.024 4 0 "[ . 1]" 1 27 A 0.995 0.109 2 0 "[ . 1]" 1 28 U 0.399 0.073 1 0 "[ . 1]" 1 29 A 0.116 0.067 10 0 "[ . 1]" 1 30 C 1.372 0.142 6 0 "[ . 1]" 1 31 U 0.314 0.062 8 0 "[ . 1]" 1 36 U 0.518 0.112 10 0 "[ . 1]" 1 37 A 0.492 0.094 5 0 "[ . 1]" 1 38 C 0.365 0.082 2 0 "[ . 1]" 1 39 U 0.072 0.035 10 0 "[ . 1]" 1 40 U 0.103 0.059 9 0 "[ . 1]" 1 41 A 1.132 0.131 7 0 "[ . 1]" 1 42 C 0.883 0.098 2 0 "[ . 1]" 1 43 C 0.539 0.070 8 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 G N1 1 43 C N3 2.800 2.600 3.000 2.984 2.891 3.051 0.051 7 0 "[ . 1]" 2 2 1 1 G N2 1 43 C O2 2.800 2.600 3.000 3.018 2.942 3.070 0.070 8 0 "[ . 1]" 2 3 1 1 G O6 1 43 C N4 2.800 2.600 3.000 2.847 2.659 3.035 0.035 3 0 "[ . 1]" 2 4 1 1 G H1 1 43 C N3 1.900 . 2.100 2.018 1.898 2.105 0.005 9 0 "[ . 1]" 2 5 1 1 G H21 1 43 C O2 1.900 . 2.100 2.030 1.952 2.088 . 0 0 "[ . 1]" 2 6 1 1 G O6 1 43 C H41 1.900 . 2.100 1.882 1.660 2.087 0.040 4 0 "[ . 1]" 2 7 1 2 G N1 1 42 C N3 2.800 2.600 3.000 2.901 2.853 3.014 0.014 10 0 "[ . 1]" 2 8 1 2 G N2 1 42 C O2 2.800 2.600 3.000 2.677 2.605 2.843 . 0 0 "[ . 1]" 2 9 1 2 G O6 1 42 C N4 2.800 2.600 3.000 3.014 2.824 3.094 0.094 7 0 "[ . 1]" 2 10 1 2 G H1 1 42 C N3 1.900 . 2.100 1.902 1.847 2.034 . 0 0 "[ . 1]" 2 11 1 2 G H21 1 42 C O2 1.900 . 2.100 1.680 1.602 1.856 0.098 2 0 "[ . 1]" 2 12 1 2 G O6 1 42 C H41 1.900 . 2.100 2.026 1.821 2.114 0.014 7 0 "[ . 1]" 2 13 1 3 U O4 1 41 A N6 2.800 2.600 3.000 3.101 3.071 3.131 0.131 7 0 "[ . 1]" 2 14 1 3 U N3 1 41 A N1 2.800 2.600 3.000 2.850 2.772 2.918 . 0 0 "[ . 1]" 2 15 1 3 U O4 1 41 A H61 1.900 . 2.100 2.109 2.071 2.132 0.032 9 0 "[ . 1]" 2 16 1 3 U H3 1 41 A N1 1.900 . 2.100 1.940 1.847 2.019 . 0 0 "[ . 1]" 2 17 1 4 G O6 1 40 U N3 2.800 2.600 3.000 2.801 2.639 3.059 0.059 9 0 "[ . 1]" 2 18 1 4 G N1 1 40 U O2 2.800 2.600 3.000 2.770 2.672 2.972 . 0 0 "[ . 1]" 2 19 1 4 G O6 1 40 U H3 1.900 . 2.100 1.839 1.679 2.092 0.021 7 0 "[ . 1]" 2 20 1 4 G H1 1 40 U O2 1.900 . 2.100 1.804 1.704 1.991 . 0 0 "[ . 1]" 2 21 1 5 A N6 1 39 U O4 2.800 2.600 3.000 2.891 2.786 3.035 0.035 10 0 "[ . 1]" 2 22 1 5 A N1 1 39 U N3 2.800 2.600 3.000 2.936 2.843 3.002 0.002 4 0 "[ . 1]" 2 23 1 5 A H61 1 39 U O4 1.900 . 2.100 1.958 1.839 2.098 . 0 0 "[ . 1]" 2 24 1 5 A N1 1 39 U H3 1.900 . 2.100 2.035 1.940 2.123 0.023 1 0 "[ . 1]" 2 25 1 6 G N1 1 38 C N3 2.800 2.600 3.000 2.775 2.712 2.866 . 0 0 "[ . 1]" 2 26 1 6 G N2 1 38 C O2 2.800 2.600 3.000 2.633 2.578 2.756 0.022 10 0 "[ . 1]" 2 27 1 6 G O6 1 38 C N4 2.800 2.600 3.000 2.850 2.694 2.995 . 0 0 "[ . 1]" 2 28 1 6 G H1 1 38 C N3 1.900 . 2.100 1.783 1.715 1.903 . 0 0 "[ . 1]" 2 29 1 6 G H21 1 38 C O2 1.900 . 2.100 1.690 1.618 1.814 0.082 2 0 "[ . 1]" 2 30 1 6 G O6 1 38 C H41 1.900 . 2.100 1.846 1.695 1.989 0.005 7 0 "[ . 1]" 2 31 1 7 U O4 1 37 A N6 2.800 2.600 3.000 3.030 2.820 3.094 0.094 5 0 "[ . 1]" 2 32 1 7 U N3 1 37 A N1 2.800 2.600 3.000 2.787 2.692 2.876 . 0 0 "[ . 1]" 2 33 1 7 U O4 1 37 A H61 1.900 . 2.100 2.040 1.832 2.111 0.011 8 0 "[ . 1]" 2 34 1 7 U H3 1 37 A N1 1.900 . 2.100 1.848 1.713 1.975 . 0 0 "[ . 1]" 2 35 1 8 A N6 1 36 U O4 2.800 2.600 3.000 3.027 2.892 3.112 0.112 10 0 "[ . 1]" 2 36 1 8 A N1 1 36 U N3 2.800 2.600 3.000 2.861 2.700 3.035 0.035 1 0 "[ . 1]" 2 37 1 8 A H61 1 36 U O4 1.900 . 2.100 2.037 1.887 2.134 0.034 10 0 "[ . 1]" 2 38 1 8 A N1 1 36 U H3 1.900 . 2.100 1.889 1.720 2.041 . 0 0 "[ . 1]" 2 39 1 14 A N6 1 31 U O4 2.800 2.600 3.000 3.000 2.826 3.062 0.062 8 0 "[ . 1]" 2 40 1 14 A N1 1 31 U N3 2.800 2.600 3.000 2.895 2.761 3.024 0.024 1 0 "[ . 1]" 2 41 1 14 A H61 1 31 U O4 1.900 . 2.100 2.030 1.854 2.139 0.039 9 0 "[ . 1]" 2 42 1 14 A N1 1 31 U H3 1.900 . 2.100 1.932 1.772 2.085 . 0 0 "[ . 1]" 2 43 1 15 G N1 1 30 C N3 2.800 2.600 3.000 2.928 2.883 3.016 0.016 7 0 "[ . 1]" 2 44 1 15 G N2 1 30 C O2 2.800 2.600 3.000 2.660 2.605 2.771 . 0 0 "[ . 1]" 2 45 1 15 G O6 1 30 C N4 2.800 2.600 3.000 3.081 3.023 3.142 0.142 6 0 "[ . 1]" 2 46 1 15 G H1 1 30 C N3 1.900 . 2.100 1.928 1.880 2.016 . 0 0 "[ . 1]" 2 47 1 15 G H21 1 30 C O2 1.900 . 2.100 1.665 1.609 1.762 0.091 10 0 "[ . 1]" 2 48 1 15 G O6 1 30 C H41 1.900 . 2.100 2.102 2.036 2.160 0.060 6 0 "[ . 1]" 2 49 1 16 U O4 1 29 A N6 2.800 2.600 3.000 2.983 2.872 3.067 0.067 10 0 "[ . 1]" 2 50 1 16 U N3 1 29 A N1 2.800 2.600 3.000 2.820 2.722 2.909 . 0 0 "[ . 1]" 2 51 1 16 U O4 1 29 A H61 1.900 . 2.100 1.996 1.868 2.078 . 0 0 "[ . 1]" 2 52 1 16 U H3 1 29 A N1 1.900 . 2.100 1.863 1.767 1.952 . 0 0 "[ . 1]" 2 53 1 17 A N6 1 28 U O4 2.800 2.600 3.000 3.034 2.939 3.073 0.073 1 0 "[ . 1]" 2 54 1 17 A N1 1 28 U N3 2.800 2.600 3.000 2.897 2.815 2.978 . 0 0 "[ . 1]" 2 55 1 17 A H61 1 28 U O4 1.900 . 2.100 2.044 1.958 2.088 . 0 0 "[ . 1]" 2 56 1 17 A N1 1 28 U H3 1.900 . 2.100 1.935 1.837 2.017 . 0 0 "[ . 1]" 2 57 1 18 U O4 1 27 A N6 2.800 2.600 3.000 3.087 3.063 3.109 0.109 2 0 "[ . 1]" 2 58 1 18 U N3 1 27 A N1 2.800 2.600 3.000 2.921 2.860 2.980 . 0 0 "[ . 1]" 2 59 1 18 U O4 1 27 A H61 1.900 . 2.100 2.110 2.080 2.133 0.033 2 0 "[ . 1]" 2 60 1 18 U H3 1 27 A N1 1.900 . 2.100 1.991 1.924 2.100 . 0 0 "[ . 1]" 2 61 1 19 A N6 1 26 U O4 2.800 2.600 3.000 2.855 2.660 3.024 0.024 4 0 "[ . 1]" 2 62 1 19 A N1 1 26 U N3 2.800 2.600 3.000 2.824 2.700 2.952 . 0 0 "[ . 1]" 2 63 1 19 A H61 1 26 U O4 1.900 . 2.100 1.884 1.689 2.065 0.011 10 0 "[ . 1]" 2 64 1 19 A N1 1 26 U H3 1.900 . 2.100 1.850 1.736 1.989 . 0 0 "[ . 1]" 2 65 1 20 C N3 1 25 G N1 2.800 2.600 3.000 2.876 2.780 2.982 . 0 0 "[ . 1]" 2 66 1 20 C O2 1 25 G N2 2.800 2.600 3.000 2.747 2.671 2.915 . 0 0 "[ . 1]" 2 67 1 20 C N4 1 25 G O6 2.800 2.600 3.000 2.951 2.678 3.055 0.055 4 0 "[ . 1]" 2 68 1 20 C N3 1 25 G H1 1.900 . 2.100 1.917 1.834 2.017 . 0 0 "[ . 1]" 2 69 1 20 C O2 1 25 G H21 1.900 . 2.100 1.750 1.669 1.926 0.031 9 0 "[ . 1]" 2 70 1 20 C H41 1 25 G O6 1.900 . 2.100 2.078 1.852 2.131 0.031 9 0 "[ . 1]" 2 71 1 21 U O2 1 24 G N1 2.800 2.600 3.000 2.929 2.795 3.016 0.016 5 0 "[ . 1]" 2 72 1 21 U O2 1 24 G H1 1.900 . 2.100 2.056 1.895 2.131 0.031 5 0 "[ . 1]" 2 stop_ save_
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