NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
439216 |
2k66   |
15859 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k66
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 369
_Distance_constraint_stats_list.Viol_count 1043
_Distance_constraint_stats_list.Viol_total 2534.524
_Distance_constraint_stats_list.Viol_max 0.397
_Distance_constraint_stats_list.Viol_rms 0.0551
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0172
_Distance_constraint_stats_list.Viol_average_violations_only 0.1215
_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 1.974 0.098 17 0 "[ . 1 . 2]"
1 2 G 1.198 0.098 17 0 "[ . 1 . 2]"
1 3 A 5.393 0.281 20 0 "[ . 1 . 2]"
1 4 G 15.739 0.285 2 0 "[ . 1 . 2]"
1 5 U 9.947 0.285 2 0 "[ . 1 . 2]"
1 6 A 12.467 0.240 2 0 "[ . 1 . 2]"
1 7 U 10.914 0.240 2 0 "[ . 1 . 2]"
1 8 G 17.328 0.261 10 0 "[ . 1 . 2]"
1 9 U 14.621 0.261 10 0 "[ . 1 . 2]"
1 10 G 13.757 0.351 3 0 "[ . 1 . 2]"
1 11 A 11.768 0.351 3 0 "[ . 1 . 2]"
1 12 A 2.893 0.123 15 0 "[ . 1 . 2]"
1 13 A 7.717 0.226 6 0 "[ . 1 . 2]"
1 14 G 3.383 0.204 10 0 "[ . 1 . 2]"
1 15 C 8.077 0.200 9 0 "[ . 1 . 2]"
1 16 A 10.997 0.200 9 0 "[ . 1 . 2]"
1 17 U 11.311 0.227 14 0 "[ . 1 . 2]"
1 18 A 20.648 0.355 15 0 "[ . 1 . 2]"
1 19 C 23.813 0.397 18 0 "[ . 1 . 2]"
1 20 U 10.861 0.372 12 0 "[ . 1 . 2]"
1 21 C 10.236 0.272 5 0 "[ . 1 . 2]"
1 22 C 6.351 0.272 5 0 "[ . 1 . 2]"
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 3.800 . 4.500 3.718 3.692 3.752 . 0 0 "[ . 1 . 2]" 1
2 1 1 G H2' 1 1 G H8 3.800 . 4.500 3.785 3.696 3.834 . 0 0 "[ . 1 . 2]" 1
3 1 1 G H3' 1 1 G H8 3.800 . 4.500 3.663 3.563 3.745 . 0 0 "[ . 1 . 2]" 1
4 1 1 G H4' 1 1 G H8 5.000 3.000 6.000 4.563 4.555 4.571 . 0 0 "[ . 1 . 2]" 1
5 1 1 G H5' 1 1 G H8 3.800 . 4.500 4.456 4.336 4.502 0.002 2 0 "[ . 1 . 2]" 1
6 1 1 G H5'' 1 1 G H8 2.500 . 3.000 3.039 3.022 3.061 0.061 13 0 "[ . 1 . 2]" 1
7 1 1 G H1' 1 2 G H1' 5.000 3.000 6.000 6.041 5.928 6.098 0.098 17 0 "[ . 1 . 2]" 1
8 1 1 G H1' 1 2 G H8 3.800 . 4.500 4.004 3.868 4.187 . 0 0 "[ . 1 . 2]" 1
9 1 1 G H2' 1 2 G H1' 5.000 3.000 6.000 5.504 5.310 5.590 . 0 0 "[ . 1 . 2]" 1
10 1 1 G H2' 1 2 G H5' 3.800 . 4.500 4.404 4.291 4.495 . 0 0 "[ . 1 . 2]" 1
11 1 1 G H2' 1 2 G H5'' 5.000 3.000 6.000 5.363 5.267 5.468 . 0 0 "[ . 1 . 2]" 1
12 1 1 G H2' 1 2 G H8 2.500 . 3.000 2.251 2.201 2.293 . 0 0 "[ . 1 . 2]" 1
13 1 1 G H3' 1 2 G H8 3.800 . 4.500 3.723 3.585 3.808 . 0 0 "[ . 1 . 2]" 1
14 1 1 G H8 1 2 G H8 5.000 3.000 6.000 6.002 5.885 6.052 0.052 1 0 "[ . 1 . 2]" 1
15 1 2 G H1' 1 2 G H8 3.800 . 4.500 3.746 3.722 3.769 . 0 0 "[ . 1 . 2]" 1
16 1 2 G H2' 1 2 G H8 3.800 . 4.500 3.936 3.861 3.989 . 0 0 "[ . 1 . 2]" 1
17 1 2 G H3' 1 2 G H8 2.500 . 3.000 2.857 2.735 2.957 . 0 0 "[ . 1 . 2]" 1
18 1 2 G H4' 1 2 G H8 5.000 3.000 6.000 4.011 3.956 4.066 . 0 0 "[ . 1 . 2]" 1
19 1 2 G H5' 1 2 G H8 3.800 . 4.500 2.895 2.745 3.045 . 0 0 "[ . 1 . 2]" 1
20 1 2 G H5'' 1 2 G H8 3.800 . 4.500 3.617 3.547 3.684 . 0 0 "[ . 1 . 2]" 1
21 1 2 G H1' 1 3 A H1' 5.000 3.000 6.000 5.610 5.412 5.856 . 0 0 "[ . 1 . 2]" 1
22 1 2 G H1' 1 3 A H8 5.000 3.000 6.000 4.792 4.756 4.818 . 0 0 "[ . 1 . 2]" 1
23 1 2 G H2' 1 3 A H1' 3.800 . 4.500 4.258 4.124 4.441 . 0 0 "[ . 1 . 2]" 1
24 1 2 G H2' 1 3 A H8 2.500 . 3.000 2.169 2.163 2.178 . 0 0 "[ . 1 . 2]" 1
25 1 2 G H3' 1 3 A H8 3.800 . 4.500 3.265 3.121 3.374 . 0 0 "[ . 1 . 2]" 1
26 1 2 G H4' 1 3 A H8 6.000 4.000 7.000 5.216 5.115 5.360 . 0 0 "[ . 1 . 2]" 1
27 1 2 G H8 1 3 A H8 5.000 3.000 6.000 5.609 5.478 5.734 . 0 0 "[ . 1 . 2]" 1
28 1 3 A H1' 1 3 A H2 5.000 3.000 6.000 4.757 4.733 4.776 . 0 0 "[ . 1 . 2]" 1
29 1 3 A H1' 1 3 A H8 3.800 . 4.500 3.760 3.749 3.774 . 0 0 "[ . 1 . 2]" 1
30 1 3 A H2 1 3 A H2' 5.000 3.000 6.000 4.717 4.680 4.791 . 0 0 "[ . 1 . 2]" 1
31 1 3 A H2' 1 3 A H8 3.800 . 4.500 4.021 3.970 4.055 . 0 0 "[ . 1 . 2]" 1
32 1 3 A H3' 1 3 A H8 2.500 . 3.000 2.624 2.559 2.665 . 0 0 "[ . 1 . 2]" 1
33 1 3 A H4' 1 3 A H8 5.000 3.000 6.000 4.013 3.963 4.094 . 0 0 "[ . 1 . 2]" 1
34 1 3 A H5'' 1 3 A H8 3.800 . 4.500 3.524 3.421 3.687 . 0 0 "[ . 1 . 2]" 1
35 1 3 A H1' 1 4 G H1' 5.000 3.000 6.000 4.908 4.782 4.987 . 0 0 "[ . 1 . 2]" 1
36 1 3 A H1' 1 4 G H8 3.800 . 4.500 4.241 4.205 4.276 . 0 0 "[ . 1 . 2]" 1
37 1 3 A H2' 1 4 G H1' 3.800 . 4.500 3.689 3.641 3.734 . 0 0 "[ . 1 . 2]" 1
38 1 3 A H2' 1 4 G H8 2.500 . 3.000 2.108 2.095 2.126 . 0 0 "[ . 1 . 2]" 1
39 1 3 A H3' 1 4 G H8 3.800 . 4.500 2.603 2.479 2.728 . 0 0 "[ . 1 . 2]" 1
40 1 3 A H4' 1 4 G H8 6.000 4.000 7.000 5.272 5.186 5.346 . 0 0 "[ . 1 . 2]" 1
41 1 3 A H2 1 4 G H1' 2.500 . 3.000 2.538 2.489 2.591 . 0 0 "[ . 1 . 2]" 1
42 1 3 A H2 1 4 G H2' 3.800 . 4.500 4.736 4.692 4.781 0.281 20 0 "[ . 1 . 2]" 1
43 1 3 A H2 1 4 G H8 5.000 3.000 6.000 4.614 4.537 4.673 . 0 0 "[ . 1 . 2]" 1
44 1 3 A H8 1 4 G H8 5.000 3.000 6.000 3.986 3.911 4.058 . 0 0 "[ . 1 . 2]" 1
45 1 3 A H2 1 20 U H1' 5.000 3.000 6.000 5.473 5.287 5.649 . 0 0 "[ . 1 . 2]" 1
46 1 3 A H2 1 21 C H1' 3.800 . 4.500 4.503 4.321 4.563 0.063 17 0 "[ . 1 . 2]" 1
47 1 3 A H2 1 21 C H2' 6.000 4.000 7.000 6.991 6.796 7.043 0.043 9 0 "[ . 1 . 2]" 1
48 1 4 G H1' 1 4 G H8 3.800 . 4.500 3.701 3.691 3.717 . 0 0 "[ . 1 . 2]" 1
49 1 4 G H2' 1 4 G H8 3.800 . 4.500 4.037 4.003 4.070 . 0 0 "[ . 1 . 2]" 1
50 1 4 G H3' 1 4 G H8 2.500 . 3.000 3.108 3.057 3.144 0.144 8 0 "[ . 1 . 2]" 1
51 1 4 G H4' 1 4 G H8 3.800 . 4.500 4.424 4.402 4.437 . 0 0 "[ . 1 . 2]" 1
52 1 4 G H5' 1 4 G H8 3.800 . 4.500 3.861 3.769 3.928 . 0 0 "[ . 1 . 2]" 1
53 1 4 G H5'' 1 4 G H8 3.800 . 4.500 4.493 4.404 4.546 0.046 16 0 "[ . 1 . 2]" 1
54 1 4 G H1' 1 5 U H1' 6.000 4.000 7.000 6.497 6.429 6.580 . 0 0 "[ . 1 . 2]" 1
55 1 4 G H1' 1 5 U H5 5.000 3.000 6.000 4.868 4.734 4.968 . 0 0 "[ . 1 . 2]" 1
56 1 4 G H1' 1 5 U H6 3.800 . 4.500 4.777 4.766 4.785 0.285 2 0 "[ . 1 . 2]" 1
57 1 4 G H2' 1 5 U H1' 3.800 . 4.500 4.537 4.508 4.582 0.082 4 0 "[ . 1 . 2]" 1
58 1 4 G H2' 1 5 U H5 3.800 . 4.500 2.712 2.596 2.791 . 0 0 "[ . 1 . 2]" 1
59 1 4 G H2' 1 5 U H6 2.500 . 3.000 2.088 2.078 2.100 . 0 0 "[ . 1 . 2]" 1
60 1 4 G H3' 1 5 U H5 2.500 . 3.000 2.491 2.344 2.621 . 0 0 "[ . 1 . 2]" 1
61 1 4 G H3' 1 5 U H6 2.500 . 3.000 3.115 3.094 3.137 0.137 5 0 "[ . 1 . 2]" 1
62 1 4 G H8 1 5 U H5 3.800 . 4.500 3.868 3.739 3.983 . 0 0 "[ . 1 . 2]" 1
63 1 4 G H8 1 5 U H6 5.000 3.000 6.000 5.479 5.386 5.546 . 0 0 "[ . 1 . 2]" 1
64 1 5 U H1' 1 5 U H5 5.000 3.000 6.000 5.347 5.335 5.358 . 0 0 "[ . 1 . 2]" 1
65 1 5 U H1' 1 5 U H6 3.800 . 4.500 3.597 3.585 3.608 . 0 0 "[ . 1 . 2]" 1
66 1 5 U H2' 1 5 U H5 5.000 3.000 6.000 5.315 5.294 5.358 . 0 0 "[ . 1 . 2]" 1
67 1 5 U H2' 1 5 U H6 3.800 . 4.500 3.869 3.845 3.907 . 0 0 "[ . 1 . 2]" 1
68 1 5 U H3' 1 5 U H5 3.800 . 4.500 4.290 4.180 4.343 . 0 0 "[ . 1 . 2]" 1
69 1 5 U H3' 1 5 U H6 2.500 . 3.000 2.599 2.491 2.652 . 0 0 "[ . 1 . 2]" 1
70 1 5 U H4' 1 5 U H5 6.000 4.000 7.000 6.229 6.195 6.272 . 0 0 "[ . 1 . 2]" 1
71 1 5 U H4' 1 5 U H6 5.000 3.000 6.000 3.829 3.797 3.872 . 0 0 "[ . 1 . 2]" 1
72 1 5 U H5 1 5 U H5'' 6.000 4.000 7.000 5.668 5.586 5.749 . 0 0 "[ . 1 . 2]" 1
73 1 5 U H5'' 1 5 U H6 3.800 . 4.500 3.618 3.560 3.686 . 0 0 "[ . 1 . 2]" 1
74 1 5 U H1' 1 6 A H1' 5.000 3.000 6.000 6.068 6.045 6.091 0.091 9 0 "[ . 1 . 2]" 1
75 1 5 U H1' 1 6 A H8 5.000 3.000 6.000 4.806 4.775 4.825 . 0 0 "[ . 1 . 2]" 1
76 1 5 U H1' 1 18 A H2 5.000 3.000 6.000 4.798 4.564 5.027 . 0 0 "[ . 1 . 2]" 1
77 1 5 U H2' 1 6 A H1' 3.800 . 4.500 4.325 4.274 4.420 . 0 0 "[ . 1 . 2]" 1
78 1 5 U H2' 1 6 A H8 2.500 . 3.000 2.140 2.127 2.160 . 0 0 "[ . 1 . 2]" 1
79 1 5 U H2' 1 18 A H2 5.000 3.000 6.000 4.655 4.484 4.785 . 0 0 "[ . 1 . 2]" 1
80 1 5 U H3' 1 6 A H8 3.800 . 4.500 3.039 2.972 3.188 . 0 0 "[ . 1 . 2]" 1
81 1 5 U H5 1 6 A H8 6.000 4.000 7.000 5.999 5.813 6.207 . 0 0 "[ . 1 . 2]" 1
82 1 5 U H6 1 6 A H8 5.000 3.000 6.000 5.099 4.958 5.274 . 0 0 "[ . 1 . 2]" 1
83 1 6 A H1' 1 6 A H2 3.800 . 4.500 4.594 4.583 4.609 0.109 7 0 "[ . 1 . 2]" 1
84 1 6 A H1' 1 6 A H8 3.800 . 4.500 3.806 3.797 3.810 . 0 0 "[ . 1 . 2]" 1
85 1 6 A H2 1 6 A H2' 5.000 3.000 6.000 4.928 4.863 4.963 . 0 0 "[ . 1 . 2]" 1
86 1 6 A H2' 1 6 A H8 3.800 . 4.500 3.806 3.787 3.850 . 0 0 "[ . 1 . 2]" 1
87 1 6 A H3' 1 6 A H8 2.500 . 3.000 2.521 2.483 2.581 . 0 0 "[ . 1 . 2]" 1
88 1 6 A H4' 1 6 A H8 5.000 3.000 6.000 4.141 4.102 4.178 . 0 0 "[ . 1 . 2]" 1
89 1 6 A H5'' 1 6 A H8 3.800 . 4.500 3.862 3.765 3.942 . 0 0 "[ . 1 . 2]" 1
90 1 6 A H1' 1 7 U H1' 5.000 3.000 6.000 6.134 6.101 6.158 0.158 3 0 "[ . 1 . 2]" 1
91 1 6 A H1' 1 7 U H5 5.000 3.000 6.000 5.068 5.005 5.191 . 0 0 "[ . 1 . 2]" 1
92 1 6 A H1' 1 7 U H6 5.000 3.000 6.000 4.659 4.627 4.686 . 0 0 "[ . 1 . 2]" 1
93 1 6 A H1' 1 18 A H2 3.800 . 4.500 4.215 4.192 4.253 . 0 0 "[ . 1 . 2]" 1
94 1 6 A H2' 1 7 U H1' 5.000 3.000 6.000 4.597 4.569 4.657 . 0 0 "[ . 1 . 2]" 1
95 1 6 A H2' 1 7 U H5 3.800 . 4.500 3.178 3.036 3.264 . 0 0 "[ . 1 . 2]" 1
96 1 6 A H2' 1 7 U H6 3.800 . 4.500 2.093 2.084 2.103 . 0 0 "[ . 1 . 2]" 1
97 1 6 A H2' 1 18 A H2 5.000 3.000 6.000 6.052 6.034 6.066 0.066 13 0 "[ . 1 . 2]" 1
98 1 6 A H3' 1 7 U H6 3.800 . 4.500 3.384 3.296 3.532 . 0 0 "[ . 1 . 2]" 1
99 1 6 A H3' 1 7 U H5 2.500 . 3.000 3.209 3.174 3.240 0.240 2 0 "[ . 1 . 2]" 1
100 1 6 A H2 1 7 U H1' 3.800 . 4.500 4.489 4.372 4.541 0.041 12 0 "[ . 1 . 2]" 1
101 1 6 A H2 1 7 U H2' 6.000 4.000 7.000 6.565 6.469 6.611 . 0 0 "[ . 1 . 2]" 1
102 1 6 A H2 1 7 U H6 5.000 3.000 6.000 5.308 5.241 5.351 . 0 0 "[ . 1 . 2]" 1
103 1 6 A H2 1 18 A H1' 3.800 . 4.500 4.030 3.930 4.114 . 0 0 "[ . 1 . 2]" 1
104 1 6 A H2 1 18 A H2' 5.000 3.000 6.000 6.055 6.012 6.078 0.078 10 0 "[ . 1 . 2]" 1
105 1 6 A H2 1 18 A H2 3.800 . 4.500 3.855 3.691 4.031 . 0 0 "[ . 1 . 2]" 1
106 1 6 A H2 1 18 A H8 5.000 3.000 6.000 5.385 5.242 5.555 . 0 0 "[ . 1 . 2]" 1
107 1 6 A H2 1 16 A H2 5.000 3.000 6.000 5.378 5.321 5.488 . 0 0 "[ . 1 . 2]" 1
108 1 6 A H2 1 17 U H1' 5.000 3.000 6.000 5.013 4.808 5.205 . 0 0 "[ . 1 . 2]" 1
109 1 6 A H2 1 17 U H2' 5.000 3.000 6.000 5.172 5.009 5.347 . 0 0 "[ . 1 . 2]" 1
110 1 6 A H8 1 7 U H5 3.800 . 4.500 3.672 3.491 4.070 . 0 0 "[ . 1 . 2]" 1
111 1 6 A H8 1 7 U H6 5.000 3.000 6.000 4.951 4.790 5.258 . 0 0 "[ . 1 . 2]" 1
112 1 6 A H8 1 18 A H2 5.000 3.000 6.000 5.389 5.218 5.536 . 0 0 "[ . 1 . 2]" 1
113 1 7 U H1' 1 7 U H5 5.000 3.000 6.000 5.379 5.376 5.381 . 0 0 "[ . 1 . 2]" 1
114 1 7 U H1' 1 7 U H6 3.800 . 4.500 3.647 3.640 3.652 . 0 0 "[ . 1 . 2]" 1
115 1 7 U H2' 1 7 U H5 5.000 3.000 6.000 5.088 5.071 5.109 . 0 0 "[ . 1 . 2]" 1
116 1 7 U H2' 1 7 U H6 3.800 . 4.500 3.507 3.487 3.544 . 0 0 "[ . 1 . 2]" 1
117 1 7 U H4' 1 7 U H6 5.000 3.000 6.000 3.863 3.782 3.911 . 0 0 "[ . 1 . 2]" 1
118 1 7 U H1' 1 8 G H1' 5.000 3.000 6.000 4.776 4.484 4.996 . 0 0 "[ . 1 . 2]" 1
119 1 7 U H1' 1 8 G H5'' 6.000 4.000 7.000 6.020 5.779 6.221 . 0 0 "[ . 1 . 2]" 1
120 1 7 U H1' 1 8 G H8 3.800 . 4.500 4.562 4.541 4.590 0.090 3 0 "[ . 1 . 2]" 1
121 1 7 U H1' 1 16 A H2 6.000 4.000 7.000 5.112 5.029 5.222 . 0 0 "[ . 1 . 2]" 1
122 1 7 U H2' 1 8 G H1' 3.800 . 4.500 3.672 3.563 3.747 . 0 0 "[ . 1 . 2]" 1
123 1 7 U H2' 1 8 G H8 2.500 . 3.000 2.134 2.129 2.138 . 0 0 "[ . 1 . 2]" 1
124 1 7 U H2' 1 16 A H2 6.000 4.000 7.000 5.413 5.339 5.483 . 0 0 "[ . 1 . 2]" 1
125 1 7 U H5 1 8 G H8 3.800 . 4.500 4.630 4.601 4.683 0.183 16 0 "[ . 1 . 2]" 1
126 1 7 U H6 1 8 G H8 3.800 . 4.500 3.955 3.922 4.032 . 0 0 "[ . 1 . 2]" 1
127 1 8 G H1' 1 8 G H8 3.800 . 4.500 3.784 3.779 3.790 . 0 0 "[ . 1 . 2]" 1
128 1 8 G H2' 1 8 G H8 3.800 . 4.500 3.832 3.813 3.854 . 0 0 "[ . 1 . 2]" 1
129 1 8 G H3' 1 8 G H8 2.500 . 3.000 2.970 2.928 3.005 0.005 16 0 "[ . 1 . 2]" 1
130 1 8 G H5'' 1 8 G H8 3.800 . 4.500 4.494 4.445 4.522 0.022 2 0 "[ . 1 . 2]" 1
131 1 8 G H1' 1 9 U H1' 6.000 4.000 7.000 6.618 6.567 6.659 . 0 0 "[ . 1 . 2]" 1
132 1 8 G H1' 1 9 U H5 5.000 3.000 6.000 4.830 4.814 4.851 . 0 0 "[ . 1 . 2]" 1
133 1 8 G H1' 1 9 U H6 3.800 . 4.500 4.745 4.729 4.761 0.261 10 0 "[ . 1 . 2]" 1
134 1 8 G H1' 1 16 A H2 3.800 . 4.500 3.425 3.155 3.752 . 0 0 "[ . 1 . 2]" 1
135 1 8 G H2' 1 9 U H1' 3.800 . 4.500 4.636 4.613 4.654 0.154 5 0 "[ . 1 . 2]" 1
136 1 8 G H2' 1 9 U H5 2.500 . 3.000 3.060 3.047 3.070 0.070 4 0 "[ . 1 . 2]" 1
137 1 8 G H2' 1 9 U H6 2.500 . 3.000 2.064 2.054 2.071 . 0 0 "[ . 1 . 2]" 1
138 1 8 G H2' 1 16 A H2 5.000 3.000 6.000 5.567 5.222 5.903 . 0 0 "[ . 1 . 2]" 1
139 1 8 G H3' 1 9 U H5 2.500 . 3.000 3.142 3.126 3.162 0.162 10 0 "[ . 1 . 2]" 1
140 1 8 G H3' 1 9 U H6 3.800 . 4.500 3.111 3.075 3.147 . 0 0 "[ . 1 . 2]" 1
141 1 8 G H8 1 9 U H5 2.500 . 3.000 3.087 3.065 3.127 0.127 16 0 "[ . 1 . 2]" 1
142 1 8 G H8 1 9 U H6 5.000 3.000 5.700 4.711 4.682 4.750 . 0 0 "[ . 1 . 2]" 1
143 1 8 G H8 1 16 A H2 5.000 3.000 6.000 5.536 5.424 5.681 . 0 0 "[ . 1 . 2]" 1
144 1 9 U H1' 1 9 U H5 5.000 3.000 6.000 5.381 5.378 5.384 . 0 0 "[ . 1 . 2]" 1
145 1 9 U H1' 1 9 U H6 3.800 . 4.500 3.659 3.655 3.662 . 0 0 "[ . 1 . 2]" 1
146 1 9 U H2' 1 9 U H5 5.000 3.000 6.000 4.968 4.939 5.003 . 0 0 "[ . 1 . 2]" 1
147 1 9 U H2' 1 9 U H6 3.800 . 4.500 3.386 3.362 3.412 . 0 0 "[ . 1 . 2]" 1
148 1 9 U H3' 1 9 U H5 5.000 3.000 6.000 4.649 4.607 4.712 . 0 0 "[ . 1 . 2]" 1
149 1 9 U H3' 1 9 U H6 2.500 . 3.000 2.594 2.559 2.651 . 0 0 "[ . 1 . 2]" 1
150 1 9 U H4' 1 9 U H6 3.800 . 4.500 4.049 4.029 4.075 . 0 0 "[ . 1 . 2]" 1
151 1 9 U H5' 1 9 U H6 3.800 . 4.500 3.288 3.260 3.322 . 0 0 "[ . 1 . 2]" 1
152 1 9 U H5'' 1 9 U H6 3.800 . 4.500 4.092 4.051 4.144 . 0 0 "[ . 1 . 2]" 1
153 1 9 U H1' 1 10 G H1' 5.000 3.000 6.000 6.059 6.045 6.074 0.074 15 0 "[ . 1 . 2]" 1
154 1 9 U H1' 1 10 G H8 5.000 3.000 6.000 4.948 4.887 4.989 . 0 0 "[ . 1 . 2]" 1
155 1 9 U H2' 1 10 G H1' 3.800 . 4.500 4.223 4.153 4.297 . 0 0 "[ . 1 . 2]" 1
156 1 9 U H2' 1 10 G H8 2.500 . 3.000 2.191 2.178 2.202 . 0 0 "[ . 1 . 2]" 1
157 1 9 U H3' 1 10 G H8 3.800 . 4.500 2.814 2.665 2.957 . 0 0 "[ . 1 . 2]" 1
158 1 9 U H5 1 10 G H8 5.000 3.000 6.000 5.290 5.017 5.629 . 0 0 "[ . 1 . 2]" 1
159 1 9 U H6 1 10 G H8 3.800 . 4.500 4.265 4.056 4.526 0.026 20 0 "[ . 1 . 2]" 1
160 1 10 G H1' 1 10 G H8 3.800 . 4.500 3.890 3.887 3.892 . 0 0 "[ . 1 . 2]" 1
161 1 10 G H2' 1 10 G H8 3.800 . 4.500 3.340 3.307 3.390 . 0 0 "[ . 1 . 2]" 1
162 1 10 G H3' 1 10 G H8 3.800 . 4.500 2.147 2.140 2.158 . 0 0 "[ . 1 . 2]" 1
163 1 10 G H4' 1 10 G H8 5.000 3.000 6.000 4.176 4.124 4.245 . 0 0 "[ . 1 . 2]" 1
164 1 10 G H5' 1 10 G H8 3.800 . 4.500 3.214 3.124 3.346 . 0 0 "[ . 1 . 2]" 1
165 1 10 G H5'' 1 10 G H8 3.800 . 4.500 4.074 3.938 4.247 . 0 0 "[ . 1 . 2]" 1
166 1 10 G H1' 1 11 A H1' 6.000 4.000 7.000 7.316 7.285 7.351 0.351 3 0 "[ . 1 . 2]" 1
167 1 10 G H1' 1 11 A H8 3.800 . 4.500 4.719 4.700 4.741 0.241 14 0 "[ . 1 . 2]" 1
168 1 10 G H1' 1 12 A H8 3.800 . 4.500 3.469 3.392 3.536 . 0 0 "[ . 1 . 2]" 1
169 1 10 G H2' 1 11 A H1' 6.000 4.000 7.000 6.108 6.078 6.138 . 0 0 "[ . 1 . 2]" 1
170 1 10 G H2' 1 11 A H8 3.800 . 4.500 4.200 4.141 4.231 . 0 0 "[ . 1 . 2]" 1
171 1 10 G H2' 1 12 A H8 3.800 . 4.500 3.858 3.841 3.908 . 0 0 "[ . 1 . 2]" 1
172 1 10 G H3' 1 11 A H8 5.000 3.000 6.000 5.737 5.688 5.794 . 0 0 "[ . 1 . 2]" 1
173 1 10 G H3' 1 12 A H8 5.000 3.000 6.000 6.091 6.075 6.123 0.123 15 0 "[ . 1 . 2]" 1
174 1 11 A H1' 1 11 A H2 5.000 3.000 6.000 4.523 4.517 4.530 . 0 0 "[ . 1 . 2]" 1
175 1 11 A H1' 1 11 A H8 3.800 . 4.500 3.870 3.867 3.872 . 0 0 "[ . 1 . 2]" 1
176 1 11 A H2 1 11 A H2' 5.000 3.000 6.000 5.598 5.573 5.624 . 0 0 "[ . 1 . 2]" 1
177 1 11 A H2' 1 11 A H8 3.800 . 4.500 3.146 3.131 3.169 . 0 0 "[ . 1 . 2]" 1
178 1 11 A H3' 1 11 A H8 3.800 . 4.500 2.993 2.967 3.022 . 0 0 "[ . 1 . 2]" 1
179 1 11 A H4' 1 11 A H8 5.000 3.000 6.000 4.204 4.194 4.216 . 0 0 "[ . 1 . 2]" 1
180 1 11 A H5'' 1 11 A H8 3.800 . 4.500 2.807 2.781 2.835 . 0 0 "[ . 1 . 2]" 1
181 1 11 A H1' 1 12 A H1' 5.000 3.000 6.000 4.344 4.314 4.373 . 0 0 "[ . 1 . 2]" 1
182 1 11 A H1' 1 12 A H8 5.000 3.000 6.000 5.419 5.399 5.449 . 0 0 "[ . 1 . 2]" 1
183 1 11 A H2' 1 12 A H1' 3.800 . 4.500 2.789 2.755 2.820 . 0 0 "[ . 1 . 2]" 1
184 1 11 A H2' 1 12 A H8 2.500 . 3.000 2.739 2.690 2.815 . 0 0 "[ . 1 . 2]" 1
185 1 11 A H3' 1 12 A H8 3.800 . 4.500 2.766 2.713 2.826 . 0 0 "[ . 1 . 2]" 1
186 1 11 A H4' 1 12 A H8 5.000 3.000 6.000 5.408 5.377 5.458 . 0 0 "[ . 1 . 2]" 1
187 1 11 A H2 1 12 A H1' 3.800 . 4.500 4.509 4.472 4.541 0.041 19 0 "[ . 1 . 2]" 1
188 1 11 A H2 1 12 A H2' 6.000 4.000 7.000 7.042 7.030 7.055 0.055 6 0 "[ . 1 . 2]" 1
189 1 11 A H8 1 12 A H8 6.000 4.000 7.000 4.831 4.679 4.990 . 0 0 "[ . 1 . 2]" 1
190 1 12 A H1' 1 12 A H2 5.000 3.000 6.000 4.533 4.525 4.542 . 0 0 "[ . 1 . 2]" 1
191 1 12 A H1' 1 12 A H8 3.800 . 4.500 3.876 3.871 3.881 . 0 0 "[ . 1 . 2]" 1
192 1 12 A H2 1 12 A H2' 5.000 3.000 6.000 5.427 5.405 5.445 . 0 0 "[ . 1 . 2]" 1
193 1 12 A H2' 1 12 A H8 3.800 . 4.500 3.539 3.498 3.564 . 0 0 "[ . 1 . 2]" 1
194 1 12 A H3' 1 12 A H8 3.800 . 4.500 2.351 2.294 2.435 . 0 0 "[ . 1 . 2]" 1
195 1 12 A H4' 1 12 A H8 5.000 3.000 6.000 4.101 4.013 4.207 . 0 0 "[ . 1 . 2]" 1
196 1 12 A H5' 1 12 A H8 3.800 . 4.500 3.633 3.475 3.835 . 0 0 "[ . 1 . 2]" 1
197 1 12 A H5'' 1 12 A H8 5.000 3.000 6.000 3.462 3.283 3.652 . 0 0 "[ . 1 . 2]" 1
198 1 12 A H1' 1 13 A H1' 5.000 3.000 6.000 5.418 5.304 5.519 . 0 0 "[ . 1 . 2]" 1
199 1 12 A H1' 1 13 A H2 6.000 4.000 7.000 6.053 5.895 6.227 . 0 0 "[ . 1 . 2]" 1
200 1 12 A H1' 1 13 A H8 5.000 3.000 6.000 5.525 5.509 5.548 . 0 0 "[ . 1 . 2]" 1
201 1 12 A H2' 1 13 A H1' 3.800 . 4.500 3.647 3.561 3.716 . 0 0 "[ . 1 . 2]" 1
202 1 12 A H2' 1 13 A H8 2.500 . 3.000 2.865 2.840 2.898 . 0 0 "[ . 1 . 2]" 1
203 1 12 A H3' 1 13 A H8 3.800 . 4.500 3.151 3.111 3.210 . 0 0 "[ . 1 . 2]" 1
204 1 12 A H2 1 13 A H1' 6.000 4.000 7.000 5.736 5.601 5.920 . 0 0 "[ . 1 . 2]" 1
205 1 12 A H2 1 13 A H2 3.800 . 4.500 3.430 3.181 3.762 . 0 0 "[ . 1 . 2]" 1
206 1 12 A H8 1 13 A H8 5.000 3.000 6.000 5.029 4.967 5.110 . 0 0 "[ . 1 . 2]" 1
207 1 13 A H1' 1 13 A H2 5.000 3.000 6.000 4.546 4.537 4.554 . 0 0 "[ . 1 . 2]" 1
208 1 13 A H1' 1 13 A H8 3.800 . 4.500 3.862 3.861 3.865 . 0 0 "[ . 1 . 2]" 1
209 1 13 A H2' 1 13 A H8 3.800 . 4.500 3.482 3.452 3.505 . 0 0 "[ . 1 . 2]" 1
210 1 13 A H3' 1 13 A H8 2.500 . 3.000 2.147 2.140 2.156 . 0 0 "[ . 1 . 2]" 1
211 1 13 A H4' 1 13 A H8 5.000 3.000 6.000 3.887 3.877 3.894 . 0 0 "[ . 1 . 2]" 1
212 1 13 A H5'' 1 13 A H8 2.500 . 3.000 3.217 3.205 3.226 0.226 6 0 "[ . 1 . 2]" 1
213 1 13 A H1' 1 14 G H8 3.800 . 4.500 4.669 4.643 4.704 0.204 10 0 "[ . 1 . 2]" 1
214 1 13 A H2' 1 14 G H8 2.500 . 3.000 2.130 2.117 2.144 . 0 0 "[ . 1 . 2]" 1
215 1 13 A H3' 1 14 G H8 2.500 . 3.000 2.334 2.208 2.461 . 0 0 "[ . 1 . 2]" 1
216 1 13 A H2 1 14 G H8 6.000 4.000 7.000 6.788 6.737 6.829 . 0 0 "[ . 1 . 2]" 1
217 1 13 A H8 1 14 G H8 3.800 . 4.500 3.677 3.525 3.852 . 0 0 "[ . 1 . 2]" 1
218 1 14 G H1' 1 14 G H8 3.800 . 4.500 3.814 3.800 3.822 . 0 0 "[ . 1 . 2]" 1
219 1 14 G H2' 1 14 G H8 3.800 . 4.500 3.800 3.757 3.861 . 0 0 "[ . 1 . 2]" 1
220 1 14 G H3' 1 14 G H8 2.500 . 3.000 2.487 2.418 2.546 . 0 0 "[ . 1 . 2]" 1
221 1 14 G H5'' 1 14 G H8 3.800 . 4.500 3.849 3.773 3.937 . 0 0 "[ . 1 . 2]" 1
222 1 14 G H1' 1 15 C H5 5.000 3.000 6.000 5.464 5.405 5.549 . 0 0 "[ . 1 . 2]" 1
223 1 14 G H1' 1 15 C H6 3.800 . 4.500 4.394 4.369 4.423 . 0 0 "[ . 1 . 2]" 1
224 1 14 G H2' 1 15 C H1' 3.800 . 4.500 3.981 3.914 4.077 . 0 0 "[ . 1 . 2]" 1
225 1 14 G H2' 1 15 C H5 3.800 . 4.500 4.136 4.089 4.207 . 0 0 "[ . 1 . 2]" 1
226 1 14 G H2' 1 15 C H6 2.500 . 3.000 2.154 2.146 2.168 . 0 0 "[ . 1 . 2]" 1
227 1 14 G H3' 1 15 C H6 3.800 . 4.500 2.622 2.563 2.695 . 0 0 "[ . 1 . 2]" 1
228 1 14 G H8 1 15 C H5 3.800 . 4.500 2.961 2.846 3.093 . 0 0 "[ . 1 . 2]" 1
229 1 14 G H8 1 15 C H6 3.800 . 4.500 3.684 3.599 3.778 . 0 0 "[ . 1 . 2]" 1
230 1 15 C H1' 1 15 C H5 5.000 3.000 6.000 5.306 5.301 5.315 . 0 0 "[ . 1 . 2]" 1
231 1 15 C H1' 1 15 C H6 3.800 . 4.500 3.531 3.522 3.544 . 0 0 "[ . 1 . 2]" 1
232 1 15 C H2' 1 15 C H5 5.000 3.000 6.000 5.256 5.234 5.269 . 0 0 "[ . 1 . 2]" 1
233 1 15 C H2' 1 15 C H6 6.000 4.000 7.000 3.899 3.879 3.916 0.121 16 0 "[ . 1 . 2]" 1
234 1 15 C H3' 1 15 C H5 5.000 3.000 6.000 4.937 4.840 5.037 . 0 0 "[ . 1 . 2]" 1
235 1 15 C H3' 1 15 C H6 3.800 . 4.500 3.184 3.095 3.267 . 0 0 "[ . 1 . 2]" 1
236 1 15 C H1' 1 16 A H1' 5.000 3.000 6.000 5.786 5.532 5.942 . 0 0 "[ . 1 . 2]" 1
237 1 15 C H1' 1 16 A H8 3.800 . 4.500 4.639 4.603 4.669 0.169 12 0 "[ . 1 . 2]" 1
238 1 15 C H2' 1 16 A H1' 3.800 . 4.500 4.661 4.611 4.700 0.200 9 0 "[ . 1 . 2]" 1
239 1 15 C H2' 1 16 A H8 2.500 . 3.000 2.092 2.070 2.107 . 0 0 "[ . 1 . 2]" 1
240 1 15 C H3' 1 16 A H8 3.800 . 4.500 3.531 3.497 3.571 . 0 0 "[ . 1 . 2]" 1
241 1 15 C H5 1 16 A H8 6.000 4.000 7.000 6.955 6.821 7.022 0.022 7 0 "[ . 1 . 2]" 1
242 1 15 C H6 1 16 A H8 5.000 3.000 6.000 5.839 5.763 5.874 . 0 0 "[ . 1 . 2]" 1
243 1 16 A H1' 1 16 A H2 5.000 3.000 6.000 4.709 4.700 4.717 . 0 0 "[ . 1 . 2]" 1
244 1 16 A H1' 1 16 A H8 3.800 . 4.500 3.745 3.739 3.751 . 0 0 "[ . 1 . 2]" 1
245 1 16 A H2 1 16 A H2' 5.000 3.000 6.000 4.703 4.671 4.732 . 0 0 "[ . 1 . 2]" 1
246 1 16 A H2' 1 16 A H8 3.800 . 4.500 3.959 3.933 3.979 . 0 0 "[ . 1 . 2]" 1
247 1 16 A H3' 1 16 A H8 2.500 . 3.000 2.746 2.720 2.768 . 0 0 "[ . 1 . 2]" 1
248 1 16 A H4' 1 16 A H8 5.000 3.000 6.000 4.070 4.043 4.107 . 0 0 "[ . 1 . 2]" 1
249 1 16 A H5'' 1 16 A H8 3.800 . 4.500 3.645 3.582 3.726 . 0 0 "[ . 1 . 2]" 1
250 1 16 A H1' 1 17 U H1' 6.000 4.000 7.000 6.186 6.093 6.256 . 0 0 "[ . 1 . 2]" 1
251 1 16 A H1' 1 17 U H5 5.000 3.000 6.000 5.203 5.125 5.383 . 0 0 "[ . 1 . 2]" 1
252 1 16 A H1' 1 17 U H6 5.000 3.000 6.000 4.720 4.698 4.757 . 0 0 "[ . 1 . 2]" 1
253 1 16 A H2' 1 17 U H1' 3.800 . 4.500 4.552 4.525 4.570 0.070 7 0 "[ . 1 . 2]" 1
254 1 16 A H2' 1 17 U H5 3.800 . 4.500 3.337 3.268 3.406 . 0 0 "[ . 1 . 2]" 1
255 1 16 A H2' 1 17 U H6 2.500 . 3.000 2.143 2.129 2.152 . 0 0 "[ . 1 . 2]" 1
256 1 16 A H3' 1 17 U H5 2.500 . 3.000 3.120 3.078 3.147 0.147 12 0 "[ . 1 . 2]" 1
257 1 16 A H3' 1 17 U H6 3.800 . 4.500 3.238 3.139 3.307 . 0 0 "[ . 1 . 2]" 1
258 1 16 A H2 1 17 U H1' 3.800 . 4.500 3.938 3.810 3.990 . 0 0 "[ . 1 . 2]" 1
259 1 16 A H2 1 17 U H2' 5.000 3.000 6.000 6.076 6.050 6.087 0.087 3 0 "[ . 1 . 2]" 1
260 1 16 A H2 1 17 U H6 5.000 3.000 6.000 4.983 4.944 5.027 . 0 0 "[ . 1 . 2]" 1
261 1 16 A H8 1 17 U H5 3.800 . 4.500 3.851 3.680 4.101 . 0 0 "[ . 1 . 2]" 1
262 1 16 A H8 1 17 U H6 5.000 3.000 6.000 5.064 4.934 5.211 . 0 0 "[ . 1 . 2]" 1
263 1 17 U H1' 1 17 U H5 5.000 3.000 6.000 5.382 5.378 5.387 . 0 0 "[ . 1 . 2]" 1
264 1 17 U H1' 1 17 U H6 3.800 . 4.500 3.658 3.654 3.663 . 0 0 "[ . 1 . 2]" 1
265 1 17 U H2' 1 17 U H5 5.000 3.000 6.000 5.017 4.996 5.035 . 0 0 "[ . 1 . 2]" 1
266 1 17 U H2' 1 17 U H6 3.800 . 4.500 3.437 3.414 3.464 . 0 0 "[ . 1 . 2]" 1
267 1 17 U H3' 1 17 U H5 5.000 3.000 6.000 4.346 4.318 4.403 . 0 0 "[ . 1 . 2]" 1
268 1 17 U H3' 1 17 U H6 2.500 . 3.000 2.347 2.325 2.399 . 0 0 "[ . 1 . 2]" 1
269 1 17 U H4' 1 17 U H5 6.000 4.000 7.000 6.317 6.289 6.345 . 0 0 "[ . 1 . 2]" 1
270 1 17 U H4' 1 17 U H6 5.000 3.000 6.000 3.904 3.876 3.932 . 0 0 "[ . 1 . 2]" 1
271 1 17 U H1' 1 18 A H1' 5.000 3.000 6.000 5.850 5.689 6.002 0.002 16 0 "[ . 1 . 2]" 1
272 1 17 U H1' 1 18 A H8 3.800 . 4.500 4.608 4.588 4.624 0.124 10 0 "[ . 1 . 2]" 1
273 1 17 U H2' 1 18 A H1' 3.800 . 4.500 4.187 4.071 4.270 . 0 0 "[ . 1 . 2]" 1
274 1 17 U H2' 1 18 A H8 2.500 . 3.000 2.157 2.152 2.167 . 0 0 "[ . 1 . 2]" 1
275 1 17 U H3' 1 18 A H8 3.800 . 4.500 2.932 2.817 3.015 . 0 0 "[ . 1 . 2]" 1
276 1 17 U H5 1 18 A H8 5.000 3.000 6.000 4.465 4.405 4.507 . 0 0 "[ . 1 . 2]" 1
277 1 17 U H5 1 18 A H2' 6.000 4.000 7.000 7.210 7.194 7.227 0.227 14 0 "[ . 1 . 2]" 1
278 1 17 U H6 1 18 A H8 3.800 . 4.500 3.798 3.722 3.837 . 0 0 "[ . 1 . 2]" 1
279 1 18 A H1' 1 18 A H2 3.800 . 4.500 4.543 4.538 4.550 0.050 7 0 "[ . 1 . 2]" 1
280 1 18 A H1' 1 18 A H8 3.800 . 4.500 3.841 3.838 3.844 . 0 0 "[ . 1 . 2]" 1
281 1 18 A H2 1 18 A H2' 5.000 3.000 6.000 5.363 5.293 5.415 . 0 0 "[ . 1 . 2]" 1
282 1 18 A H2' 1 18 A H8 3.800 . 4.500 3.256 3.206 3.336 . 0 0 "[ . 1 . 2]" 1
283 1 18 A H3' 1 18 A H8 2.500 . 3.000 2.652 2.623 2.693 . 0 0 "[ . 1 . 2]" 1
284 1 18 A H4' 1 18 A H8 5.000 3.000 6.000 4.445 4.426 4.456 . 0 0 "[ . 1 . 2]" 1
285 1 18 A H5'' 1 18 A H8 3.800 . 4.500 4.607 4.572 4.640 0.140 12 0 "[ . 1 . 2]" 1
286 1 18 A H1' 1 19 C H1' 5.000 3.000 6.000 5.286 5.060 5.481 . 0 0 "[ . 1 . 2]" 1
287 1 18 A H1' 1 19 C H5 5.000 3.000 6.000 5.380 5.306 5.501 . 0 0 "[ . 1 . 2]" 1
288 1 18 A H1' 1 19 C H6 3.800 . 4.500 4.634 4.594 4.680 0.180 4 0 "[ . 1 . 2]" 1
289 1 18 A H2' 1 19 C H1' 3.800 . 4.500 4.436 4.293 4.511 0.011 16 0 "[ . 1 . 2]" 1
290 1 18 A H2' 1 19 C H5 3.800 . 4.500 2.962 2.880 3.074 . 0 0 "[ . 1 . 2]" 1
291 1 18 A H2' 1 19 C H6 2.500 . 3.000 2.065 2.047 2.074 . 0 0 "[ . 1 . 2]" 1
292 1 18 A H3' 1 19 C H5 3.800 . 4.500 3.785 3.593 3.932 . 0 0 "[ . 1 . 2]" 1
293 1 18 A H3' 1 19 C H6 3.800 . 4.500 3.687 3.605 3.751 . 0 0 "[ . 1 . 2]" 1
294 1 18 A H2 1 19 C H1' 3.800 . 4.500 4.420 4.207 4.518 0.018 1 0 "[ . 1 . 2]" 1
295 1 18 A H2 1 19 C H2' 6.000 4.000 7.000 6.706 6.514 6.799 . 0 0 "[ . 1 . 2]" 1
296 1 18 A H8 1 19 C H5 5.000 3.000 6.000 3.801 3.641 3.934 . 0 0 "[ . 1 . 2]" 1
297 1 18 A H8 1 19 C H6 3.800 . 4.500 4.820 4.782 4.855 0.355 15 0 "[ . 1 . 2]" 1
298 1 19 C H1' 1 19 C H5 5.000 3.000 6.000 5.357 5.339 5.371 . 0 0 "[ . 1 . 2]" 1
299 1 19 C H1' 1 19 C H6 3.800 . 4.500 3.662 3.643 3.679 . 0 0 "[ . 1 . 2]" 1
300 1 19 C H2' 1 19 C H5 5.000 3.000 6.000 5.086 5.026 5.130 . 0 0 "[ . 1 . 2]" 1
301 1 19 C H2' 1 19 C H6 3.800 . 4.500 3.495 3.414 3.566 . 0 0 "[ . 1 . 2]" 1
302 1 19 C H3' 1 19 C H5 3.800 . 4.500 4.329 4.254 4.458 . 0 0 "[ . 1 . 2]" 1
303 1 19 C H3' 1 19 C H6 2.500 . 3.000 2.295 2.192 2.435 . 0 0 "[ . 1 . 2]" 1
304 1 19 C H4' 1 19 C H5 5.000 3.000 6.000 6.364 6.336 6.397 0.397 18 0 "[ . 1 . 2]" 1
305 1 19 C H4' 1 19 C H6 5.000 3.000 6.000 3.958 3.929 3.993 . 0 0 "[ . 1 . 2]" 1
306 1 19 C H5 1 19 C H5'' 6.000 4.000 7.000 6.183 6.092 6.273 . 0 0 "[ . 1 . 2]" 1
307 1 19 C H5'' 1 19 C H6 3.800 . 4.500 3.958 3.881 4.037 . 0 0 "[ . 1 . 2]" 1
308 1 19 C H1' 1 20 U H1' 5.000 3.000 6.000 5.575 5.392 5.850 . 0 0 "[ . 1 . 2]" 1
309 1 19 C H1' 1 20 U H5 5.000 3.000 6.000 5.316 5.252 5.387 . 0 0 "[ . 1 . 2]" 1
310 1 19 C H1' 1 20 U H6 3.800 . 4.500 4.519 4.497 4.548 0.048 18 0 "[ . 1 . 2]" 1
311 1 19 C H2' 1 20 U H1' 3.800 . 4.500 4.120 4.017 4.268 . 0 0 "[ . 1 . 2]" 1
312 1 19 C H2' 1 20 U H5 3.800 . 4.500 3.780 3.714 3.865 . 0 0 "[ . 1 . 2]" 1
313 1 19 C H2' 1 20 U H6 2.500 . 3.000 2.089 2.077 2.105 . 0 0 "[ . 1 . 2]" 1
314 1 19 C H3' 1 20 U H5 3.800 . 4.500 3.791 3.722 3.862 . 0 0 "[ . 1 . 2]" 1
315 1 19 C H3' 1 20 U H6 3.800 . 4.500 3.168 3.073 3.263 . 0 0 "[ . 1 . 2]" 1
316 1 19 C H5 1 20 U H5 2.500 . 3.000 2.776 2.726 2.813 . 0 0 "[ . 1 . 2]" 1
317 1 19 C H5 1 20 U H6 5.000 3.000 6.000 4.727 4.629 4.819 . 0 0 "[ . 1 . 2]" 1
318 1 19 C H6 1 20 U H5 2.500 . 3.000 3.350 3.321 3.372 0.372 12 0 "[ . 1 . 2]" 1
319 1 19 C H6 1 20 U H6 3.800 . 4.500 4.027 3.934 4.110 . 0 0 "[ . 1 . 2]" 1
320 1 20 U H1' 1 20 U H5 5.000 3.000 6.000 5.375 5.367 5.387 . 0 0 "[ . 1 . 2]" 1
321 1 20 U H1' 1 20 U H6 3.800 . 4.500 3.653 3.643 3.664 . 0 0 "[ . 1 . 2]" 1
322 1 20 U H2' 1 20 U H5 5.000 3.000 6.000 4.943 4.893 5.006 . 0 0 "[ . 1 . 2]" 1
323 1 20 U H2' 1 20 U H6 3.800 . 4.500 3.347 3.279 3.419 . 0 0 "[ . 1 . 2]" 1
324 1 20 U H3' 1 20 U H5 5.000 3.000 6.000 5.049 4.928 5.139 . 0 0 "[ . 1 . 2]" 1
325 1 20 U H3' 1 20 U H6 2.500 . 3.000 2.935 2.820 3.009 0.009 12 0 "[ . 1 . 2]" 1
326 1 20 U H5 1 20 U H5'' 6.000 4.000 7.000 6.789 6.745 6.833 . 0 0 "[ . 1 . 2]" 1
327 1 20 U H5'' 1 20 U H6 3.800 . 4.500 4.470 4.433 4.509 0.009 14 0 "[ . 1 . 2]" 1
328 1 20 U H1' 1 21 C H1' 6.000 4.000 7.000 5.288 5.211 5.433 . 0 0 "[ . 1 . 2]" 1
329 1 20 U H1' 1 21 C H5 5.000 3.000 6.000 5.554 5.466 5.620 . 0 0 "[ . 1 . 2]" 1
330 1 20 U H1' 1 21 C H6 3.800 . 4.500 4.598 4.588 4.622 0.122 7 0 "[ . 1 . 2]" 1
331 1 20 U H2' 1 21 C H1' 3.800 . 4.500 4.574 4.554 4.604 0.104 7 0 "[ . 1 . 2]" 1
332 1 20 U H2' 1 21 C H5 3.800 . 4.500 2.756 2.673 2.811 . 0 0 "[ . 1 . 2]" 1
333 1 20 U H2' 1 21 C H6 3.800 . 4.500 2.222 2.190 2.293 . 0 0 "[ . 1 . 2]" 1
334 1 20 U H3' 1 21 C H5 3.800 . 4.500 3.608 3.473 3.703 . 0 0 "[ . 1 . 2]" 1
335 1 20 U H3' 1 21 C H6 3.800 . 4.500 3.696 3.658 3.718 . 0 0 "[ . 1 . 2]" 1
336 1 20 U H5 1 21 C H5 5.000 3.000 6.000 5.514 5.276 5.701 . 0 0 "[ . 1 . 2]" 1
337 1 20 U H5 1 21 C H6 6.000 4.000 7.000 6.847 6.696 6.986 . 0 0 "[ . 1 . 2]" 1
338 1 20 U H6 1 21 C H5 5.000 3.000 6.000 4.759 4.609 4.903 . 0 0 "[ . 1 . 2]" 1
339 1 20 U H6 1 21 C H6 5.000 3.000 6.000 5.469 5.373 5.557 . 0 0 "[ . 1 . 2]" 1
340 1 21 C H1' 1 21 C H5 5.000 3.000 6.000 5.371 5.361 5.381 . 0 0 "[ . 1 . 2]" 1
341 1 21 C H1' 1 21 C H6 3.800 . 4.500 3.650 3.636 3.663 . 0 0 "[ . 1 . 2]" 1
342 1 21 C H2' 1 21 C H5 5.000 3.000 6.000 5.142 5.084 5.189 . 0 0 "[ . 1 . 2]" 1
343 1 21 C H2' 1 21 C H6 3.800 . 4.500 3.621 3.535 3.679 . 0 0 "[ . 1 . 2]" 1
344 1 21 C H3' 1 21 C H5 5.000 3.000 6.000 4.389 4.334 4.459 . 0 0 "[ . 1 . 2]" 1
345 1 21 C H3' 1 21 C H6 2.500 . 3.000 2.467 2.395 2.566 . 0 0 "[ . 1 . 2]" 1
346 1 21 C H5 1 21 C H5'' 6.000 4.000 7.000 5.824 5.675 5.930 . 0 0 "[ . 1 . 2]" 1
347 1 21 C H5'' 1 21 C H6 3.800 . 4.500 3.640 3.524 3.720 . 0 0 "[ . 1 . 2]" 1
348 1 21 C H1' 1 22 C H1' 3.800 . 4.500 4.143 4.052 4.272 . 0 0 "[ . 1 . 2]" 1
349 1 21 C H1' 1 22 C H5 5.000 3.000 6.000 6.054 5.996 6.096 0.096 6 0 "[ . 1 . 2]" 1
350 1 21 C H1' 1 22 C H6 3.800 . 4.500 4.752 4.716 4.772 0.272 5 0 "[ . 1 . 2]" 1
351 1 21 C H2' 1 22 C H1' 3.800 . 4.500 2.797 2.727 2.904 . 0 0 "[ . 1 . 2]" 1
352 1 21 C H2' 1 22 C H5 3.800 . 4.500 3.975 3.927 4.038 . 0 0 "[ . 1 . 2]" 1
353 1 21 C H2' 1 22 C H6 2.500 . 3.000 2.121 2.112 2.129 . 0 0 "[ . 1 . 2]" 1
354 1 21 C H3' 1 22 C H5 3.800 . 4.500 3.402 3.254 3.509 . 0 0 "[ . 1 . 2]" 1
355 1 21 C H3' 1 22 C H6 3.800 . 4.500 2.580 2.450 2.680 . 0 0 "[ . 1 . 2]" 1
356 1 21 C H5 1 22 C H5 3.800 . 4.500 3.959 3.489 4.194 . 0 0 "[ . 1 . 2]" 1
357 1 21 C H5 1 22 C H6 6.000 4.000 7.000 5.258 4.918 5.439 . 0 0 "[ . 1 . 2]" 1
358 1 21 C H6 1 22 C H5 3.800 . 4.500 4.070 3.699 4.243 . 0 0 "[ . 1 . 2]" 1
359 1 21 C H6 1 22 C H6 3.800 . 4.500 4.289 3.975 4.438 . 0 0 "[ . 1 . 2]" 1
360 1 22 C H1' 1 22 C H5 5.000 3.000 6.000 5.322 5.306 5.345 . 0 0 "[ . 1 . 2]" 1
361 1 22 C H1' 1 22 C H6 3.800 . 4.500 3.565 3.543 3.599 . 0 0 "[ . 1 . 2]" 1
362 1 22 C H2' 1 22 C H5 5.000 3.000 6.000 5.215 5.113 5.285 . 0 0 "[ . 1 . 2]" 1
363 1 22 C H2' 1 22 C H6 3.800 . 4.500 3.807 3.672 3.891 . 0 0 "[ . 1 . 2]" 1
364 1 22 C H3' 1 22 C H5 5.000 3.000 6.000 4.825 4.756 4.883 . 0 0 "[ . 1 . 2]" 1
365 1 22 C H3' 1 22 C H6 2.500 . 3.000 3.005 2.947 3.026 0.026 9 0 "[ . 1 . 2]" 1
366 1 22 C H4' 1 22 C H5 6.000 4.000 7.000 6.529 6.488 6.578 . 0 0 "[ . 1 . 2]" 1
367 1 22 C H4' 1 22 C H6 3.800 . 4.500 4.111 4.067 4.160 . 0 0 "[ . 1 . 2]" 1
368 1 22 C H5 1 22 C H5'' 6.000 4.000 7.000 6.068 5.889 6.360 . 0 0 "[ . 1 . 2]" 1
369 1 22 C H5'' 1 22 C H6 3.800 . 4.500 3.932 3.820 4.123 . 0 0 "[ . 1 . 2]" 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 102
_Distance_constraint_stats_list.Viol_count 396
_Distance_constraint_stats_list.Viol_total 772.655
_Distance_constraint_stats_list.Viol_max 0.239
_Distance_constraint_stats_list.Viol_rms 0.0491
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0189
_Distance_constraint_stats_list.Viol_average_violations_only 0.0976
_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 2.781 0.174 18 0 "[ . 1 . 2]"
1 2 G 1.374 0.076 15 0 "[ . 1 . 2]"
1 3 A 5.983 0.208 9 0 "[ . 1 . 2]"
1 4 G 0.017 0.017 7 0 "[ . 1 . 2]"
1 5 U 4.228 0.166 6 0 "[ . 1 . 2]"
1 6 A 0.857 0.090 15 0 "[ . 1 . 2]"
1 7 U 11.069 0.239 16 0 "[ . 1 . 2]"
1 8 G 3.381 0.197 16 0 "[ . 1 . 2]"
1 9 U 7.390 0.220 9 0 "[ . 1 . 2]"
1 10 G 5.987 0.237 15 0 "[ . 1 . 2]"
1 12 A 3.694 0.237 15 0 "[ . 1 . 2]"
1 13 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 G 4.667 0.130 10 0 "[ . 1 . 2]"
1 15 C 5.015 0.220 9 0 "[ . 1 . 2]"
1 16 A 0.027 0.011 7 0 "[ . 1 . 2]"
1 17 U 10.444 0.239 16 0 "[ . 1 . 2]"
1 18 A 0.007 0.003 2 0 "[ . 1 . 2]"
1 19 C 0.625 0.047 9 0 "[ . 1 . 2]"
1 20 U 5.983 0.208 9 0 "[ . 1 . 2]"
1 21 C 3.486 0.174 18 0 "[ . 1 . 2]"
1 22 C 0.252 0.032 18 0 "[ . 1 . 2]"
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 2 G H1' 6.000 4.000 7.000 6.977 6.854 7.058 0.058 7 0 "[ . 1 . 2]" 2
2 1 1 G H1 1 2 G H1 5.000 3.000 6.000 3.668 3.588 3.840 . 0 0 "[ . 1 . 2]" 2
3 1 1 G H1 1 2 G H8 6.000 4.000 7.000 6.710 6.653 6.764 . 0 0 "[ . 1 . 2]" 2
4 1 1 G H1 1 21 C H1' 6.000 4.000 7.000 7.127 7.080 7.174 0.174 18 0 "[ . 1 . 2]" 2
5 1 1 G H1 1 22 C H41 2.500 . 3.000 2.950 2.586 3.017 0.017 17 0 "[ . 1 . 2]" 2
6 1 1 G H1 1 22 C H42 3.800 . 4.500 4.362 4.056 4.427 . 0 0 "[ . 1 . 2]" 2
7 1 1 G H1 1 22 C H5 6.000 4.000 7.000 5.145 4.994 5.191 . 0 0 "[ . 1 . 2]" 2
8 1 1 G H1 1 22 C H6 6.000 4.000 7.000 5.598 5.586 5.625 . 0 0 "[ . 1 . 2]" 2
9 1 2 G H1 1 3 A H1' 6.000 4.000 7.000 6.478 6.184 6.635 . 0 0 "[ . 1 . 2]" 2
10 1 2 G H1 1 3 A H2 5.000 3.000 6.000 5.328 5.181 5.494 . 0 0 "[ . 1 . 2]" 2
11 1 2 G H1 1 3 A H8 6.000 4.000 7.000 6.848 6.682 6.983 . 0 0 "[ . 1 . 2]" 2
12 1 2 G H1 1 20 U H3 5.000 3.000 6.000 4.939 4.767 5.088 . 0 0 "[ . 1 . 2]" 2
13 1 2 G H1 1 21 C H41 2.500 . 3.000 3.047 3.017 3.076 0.076 15 0 "[ . 1 . 2]" 2
14 1 2 G H1 1 21 C H42 3.800 . 4.500 4.471 4.427 4.502 0.002 14 0 "[ . 1 . 2]" 2
15 1 2 G H1 1 21 C H5 6.000 4.000 7.000 5.253 5.198 5.313 . 0 0 "[ . 1 . 2]" 2
16 1 2 G H1 1 21 C H6 6.000 4.000 7.000 5.679 5.624 5.751 . 0 0 "[ . 1 . 2]" 2
17 1 2 G H1 1 22 C H5 6.000 4.000 7.000 6.237 6.122 6.300 . 0 0 "[ . 1 . 2]" 2
18 1 2 G H1 1 22 C H6 5.000 3.000 6.000 6.002 5.955 6.032 0.032 18 0 "[ . 1 . 2]" 2
19 1 3 A H2 1 4 G H1 5.000 3.000 6.000 5.395 5.287 5.500 . 0 0 "[ . 1 . 2]" 2
20 1 4 G H1 1 5 U H1' 6.000 4.000 7.000 5.850 5.720 5.949 . 0 0 "[ . 1 . 2]" 2
21 1 4 G H1 1 5 U H3 3.800 . 4.800 3.603 3.525 3.669 . 0 0 "[ . 1 . 2]" 2
22 1 4 G H1 1 5 U H5 6.000 4.000 7.000 5.561 5.437 5.630 . 0 0 "[ . 1 . 2]" 2
23 1 4 G H1 1 5 U H6 6.000 4.000 7.000 6.260 6.182 6.329 . 0 0 "[ . 1 . 2]" 2
24 1 4 G H1 1 19 C H2' 6.000 4.000 7.000 5.535 5.462 5.633 . 0 0 "[ . 1 . 2]" 2
25 1 4 G H1 1 19 C H41 2.500 . 3.000 1.872 1.783 1.945 0.017 7 0 "[ . 1 . 2]" 2
26 1 4 G H1 1 19 C H42 3.800 . 4.500 3.430 3.367 3.484 . 0 0 "[ . 1 . 2]" 2
27 1 4 G H1 1 19 C H5 5.000 3.000 6.000 4.636 4.622 4.646 . 0 0 "[ . 1 . 2]" 2
28 1 4 G H1 1 20 U H3 3.800 . 4.500 3.005 2.945 3.061 . 0 0 "[ . 1 . 2]" 2
29 1 4 G H1 1 20 U H5 5.000 3.000 6.000 4.219 4.150 4.308 . 0 0 "[ . 1 . 2]" 2
30 1 4 G H1 1 20 U H6 5.000 3.000 6.000 5.060 4.965 5.120 . 0 0 "[ . 1 . 2]" 2
31 1 4 G H22 1 5 U H3 6.000 4.000 7.000 4.988 4.856 5.088 . 0 0 "[ . 1 . 2]" 2
32 1 5 U H1' 1 5 U H3 5.000 3.000 6.000 4.582 4.575 4.589 . 0 0 "[ . 1 . 2]" 2
33 1 5 U H3 1 6 A H1' 5.000 3.000 6.000 6.043 6.002 6.090 0.090 15 0 "[ . 1 . 2]" 2
34 1 5 U H3 1 6 A H8 5.000 3.000 6.000 5.178 5.074 5.278 . 0 0 "[ . 1 . 2]" 2
35 1 5 U H3 1 17 U H3 3.800 . 4.500 4.638 4.618 4.666 0.166 6 0 "[ . 1 . 2]" 2
36 1 5 U H3 1 18 A H2 3.800 . 4.500 3.010 2.952 3.068 . 0 0 "[ . 1 . 2]" 2
37 1 5 U H3 1 18 A H61 2.500 . 3.000 2.013 1.963 2.072 . 0 0 "[ . 1 . 2]" 2
38 1 5 U H3 1 18 A H62 3.800 3.500 4.200 3.534 3.497 3.581 0.003 2 0 "[ . 1 . 2]" 2
39 1 5 U H3 1 19 C H1' 6.000 4.000 7.000 6.260 6.083 6.405 . 0 0 "[ . 1 . 2]" 2
40 1 5 U H3 1 19 C H41 3.800 3.500 4.200 4.230 4.211 4.247 0.047 9 0 "[ . 1 . 2]" 2
41 1 6 A H2 1 7 U H3 5.000 3.000 6.000 4.235 4.177 4.352 . 0 0 "[ . 1 . 2]" 2
42 1 7 U H1' 1 7 U H3 5.000 3.000 6.000 4.531 4.524 4.542 . 0 0 "[ . 1 . 2]" 2
43 1 7 U H3 1 8 G H1' 5.000 3.000 6.000 4.460 4.228 4.692 . 0 0 "[ . 1 . 2]" 2
44 1 7 U H3 1 8 G H1 3.800 . 4.500 4.668 4.628 4.697 0.197 16 0 "[ . 1 . 2]" 2
45 1 7 U H3 1 8 G H8 5.000 3.000 6.000 4.615 4.550 4.705 . 0 0 "[ . 1 . 2]" 2
46 1 7 U H3 1 16 A H2 3.800 . 4.500 2.443 2.403 2.607 . 0 0 "[ . 1 . 2]" 2
47 1 7 U H3 1 16 A H61 2.500 . 3.000 2.723 2.525 2.799 . 0 0 "[ . 1 . 2]" 2
48 1 7 U H3 1 16 A H62 3.800 3.500 4.200 4.142 3.974 4.211 0.011 7 0 "[ . 1 . 2]" 2
49 1 7 U H3 1 17 U H5 5.000 3.000 6.000 5.710 5.612 5.875 . 0 0 "[ . 1 . 2]" 2
50 1 7 U H3 1 17 U H6 5.000 3.000 6.000 6.190 6.157 6.209 0.209 7 0 "[ . 1 . 2]" 2
51 1 8 G H1 1 9 U H1' 6.000 4.000 7.000 5.684 5.535 5.814 . 0 0 "[ . 1 . 2]" 2
52 1 8 G H1 1 9 U H3 3.800 . 4.500 3.330 3.290 3.378 . 0 0 "[ . 1 . 2]" 2
53 1 8 G H1 1 9 U H5 6.000 4.000 7.000 5.285 5.254 5.318 . 0 0 "[ . 1 . 2]" 2
54 1 8 G H1 1 9 U H6 6.000 4.000 7.000 6.000 5.936 6.051 . 0 0 "[ . 1 . 2]" 2
55 1 8 G H1 1 14 G H1 5.000 3.000 6.000 4.469 4.388 4.570 . 0 0 "[ . 1 . 2]" 2
56 1 8 G H1 1 14 G H22 6.000 4.000 7.000 5.846 5.722 5.959 . 0 0 "[ . 1 . 2]" 2
57 1 8 G H1 1 15 C H41 2.500 . 3.000 2.932 2.868 2.967 . 0 0 "[ . 1 . 2]" 2
58 1 8 G H1 1 15 C H42 3.800 . 4.500 4.330 4.272 4.359 . 0 0 "[ . 1 . 2]" 2
59 1 8 G H1 1 15 C H5 6.000 4.000 7.000 5.108 5.065 5.132 . 0 0 "[ . 1 . 2]" 2
60 1 8 G H1 1 15 C H6 6.000 4.000 7.000 5.564 5.547 5.578 . 0 0 "[ . 1 . 2]" 2
61 1 8 G H1 1 16 A H2 5.000 3.000 6.000 4.873 4.716 5.033 . 0 0 "[ . 1 . 2]" 2
62 1 8 G H1 1 16 A H61 6.000 4.000 7.000 4.033 3.990 4.152 0.010 9 0 "[ . 1 . 2]" 2
63 1 8 G H21 1 9 U H3 5.000 3.000 6.000 4.580 4.527 4.629 . 0 0 "[ . 1 . 2]" 2
64 1 9 U H3 1 10 G H1 5.000 3.000 6.000 4.291 4.007 4.658 . 0 0 "[ . 1 . 2]" 2
65 1 9 U H3 1 10 G H1' 5.000 3.000 6.000 5.412 5.272 5.564 . 0 0 "[ . 1 . 2]" 2
66 1 9 U H3 1 14 G H1 . . 2.100 2.181 2.174 2.190 0.090 17 0 "[ . 1 . 2]" 2
67 1 9 U H3 1 14 G H21 5.000 3.000 6.000 5.632 5.626 5.641 . 0 0 "[ . 1 . 2]" 2
68 1 9 U H3 1 14 G H22 3.800 3.500 4.200 4.238 4.207 4.254 0.054 13 0 "[ . 1 . 2]" 2
69 1 9 U H3 1 15 C H41 3.800 3.500 4.200 3.465 3.450 3.481 0.050 15 0 "[ . 1 . 2]" 2
70 1 9 U H3 1 15 C H42 3.800 3.500 4.200 4.230 4.214 4.246 0.046 16 0 "[ . 1 . 2]" 2
71 1 9 U H3 1 15 C H5 6.000 4.000 7.000 5.326 5.304 5.342 . 0 0 "[ . 1 . 2]" 2
72 1 9 U H3 1 15 C H6 5.000 3.000 6.000 6.186 6.162 6.220 0.220 9 0 "[ . 1 . 2]" 2
73 1 9 U H6 1 10 G H1 6.000 4.000 7.000 6.823 6.597 6.990 . 0 0 "[ . 1 . 2]" 2
74 1 10 G H1 1 12 A H2' 6.000 4.000 7.000 6.486 6.417 6.582 . 0 0 "[ . 1 . 2]" 2
75 1 10 G H1 1 12 A H8 3.800 . 4.500 4.685 4.640 4.737 0.237 15 0 "[ . 1 . 2]" 2
76 1 10 G H1 1 13 A H8 5.000 3.000 6.000 5.639 5.576 5.690 . 0 0 "[ . 1 . 2]" 2
77 1 14 G H1 1 15 C H41 6.000 4.000 7.000 4.965 4.898 5.010 . 0 0 "[ . 1 . 2]" 2
78 1 14 G H1 1 15 C H42 5.000 3.000 6.000 5.207 5.133 5.268 . 0 0 "[ . 1 . 2]" 2
79 1 14 G H1 1 15 C H5 6.000 4.000 7.000 5.367 5.254 5.448 . 0 0 "[ . 1 . 2]" 2
80 1 8 G H21 1 14 G H1 5.000 3.000 6.000 4.950 4.886 5.058 . 0 0 "[ . 1 . 2]" 2
81 1 9 U H1' 1 14 G H1 5.000 3.000 6.000 4.203 4.130 4.276 . 0 0 "[ . 1 . 2]" 2
82 1 9 U H5 1 14 G H1 6.000 4.000 7.000 6.090 6.054 6.118 . 0 0 "[ . 1 . 2]" 2
83 1 9 U H6 1 14 G H1 6.000 4.000 7.000 5.971 5.912 6.020 . 0 0 "[ . 1 . 2]" 2
84 1 10 G H1' 1 14 G H1 3.800 . 4.500 4.615 4.599 4.630 0.130 10 0 "[ . 1 . 2]" 2
85 1 14 G H1 1 15 C H1' 6.000 4.000 7.000 4.797 4.674 4.939 . 0 0 "[ . 1 . 2]" 2
86 1 14 G H1 1 15 C H6 6.000 4.000 7.000 5.509 5.394 5.593 . 0 0 "[ . 1 . 2]" 2
87 1 16 A H2 1 17 U H3 5.000 3.000 6.000 3.999 3.920 4.197 . 0 0 "[ . 1 . 2]" 2
88 1 17 U H3 1 18 A H1' 5.000 3.000 6.000 5.310 5.118 5.490 . 0 0 "[ . 1 . 2]" 2
89 1 17 U H3 1 18 A H8 5.000 3.000 6.000 4.773 4.725 4.823 . 0 0 "[ . 1 . 2]" 2
90 1 6 A H2 1 17 U H3 3.800 . 4.500 2.489 2.434 2.549 . 0 0 "[ . 1 . 2]" 2
91 1 6 A H61 1 17 U H3 2.500 . 3.000 2.638 2.518 2.752 . 0 0 "[ . 1 . 2]" 2
92 1 6 A H62 1 17 U H3 3.800 3.500 4.200 4.043 3.928 4.156 . 0 0 "[ . 1 . 2]" 2
93 1 7 U H3 1 17 U H3 3.800 . 4.500 2.979 2.893 3.176 . 0 0 "[ . 1 . 2]" 2
94 1 7 U H5 1 17 U H3 5.000 3.000 6.000 5.540 5.477 5.620 . 0 0 "[ . 1 . 2]" 2
95 1 7 U H6 1 17 U H3 5.000 3.000 6.000 6.195 6.170 6.239 0.239 16 0 "[ . 1 . 2]" 2
96 1 20 U H3 1 21 C H5 5.000 3.000 6.000 5.795 5.655 5.987 . 0 0 "[ . 1 . 2]" 2
97 1 20 U H3 1 21 C H6 6.000 4.000 7.000 6.114 6.048 6.233 . 0 0 "[ . 1 . 2]" 2
98 1 3 A H2 1 20 U H3 3.800 . 4.500 3.604 3.583 3.622 . 0 0 "[ . 1 . 2]" 2
99 1 3 A H8 1 20 U H3 6.000 4.000 7.000 7.195 7.178 7.208 0.208 9 0 "[ . 1 . 2]" 2
100 1 3 A H61 1 20 U H3 2.500 . 3.000 1.764 1.758 1.768 0.042 1 0 "[ . 1 . 2]" 2
101 1 3 A H62 1 20 U H3 3.800 3.500 4.200 3.432 3.425 3.436 0.075 18 0 "[ . 1 . 2]" 2
102 1 4 G H1' 1 20 U H3 6.000 4.000 7.000 5.459 5.384 5.564 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 48
_Distance_constraint_stats_list.Viol_count 304
_Distance_constraint_stats_list.Viol_total 412.215
_Distance_constraint_stats_list.Viol_max 0.203
_Distance_constraint_stats_list.Viol_rms 0.0415
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0215
_Distance_constraint_stats_list.Viol_average_violations_only 0.0678
_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 1.024 0.066 12 0 "[ . 1 . 2]"
1 2 G 0.807 0.080 14 0 "[ . 1 . 2]"
1 3 A 0.175 0.026 14 0 "[ . 1 . 2]"
1 4 G 1.527 0.107 19 0 "[ . 1 . 2]"
1 5 U 1.477 0.107 4 0 "[ . 1 . 2]"
1 6 A 3.336 0.186 8 0 "[ . 1 . 2]"
1 7 U 2.206 0.118 12 0 "[ . 1 . 2]"
1 8 G 2.516 0.087 14 0 "[ . 1 . 2]"
1 9 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 G 7.544 0.203 15 0 "[ . 1 . 2]"
1 13 A 7.544 0.203 15 0 "[ . 1 . 2]"
1 14 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 C 2.516 0.087 14 0 "[ . 1 . 2]"
1 16 A 2.206 0.118 12 0 "[ . 1 . 2]"
1 17 U 3.336 0.186 8 0 "[ . 1 . 2]"
1 18 A 1.477 0.107 4 0 "[ . 1 . 2]"
1 19 C 1.527 0.107 19 0 "[ . 1 . 2]"
1 20 U 0.175 0.026 14 0 "[ . 1 . 2]"
1 21 C 0.807 0.080 14 0 "[ . 1 . 2]"
1 22 C 1.024 0.066 12 0 "[ . 1 . 2]"
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 22 C N3 2.000 . 2.200 1.831 1.800 1.864 0.000 11 0 "[ . 1 . 2]" 3
2 1 1 G N1 1 22 C N3 2.900 2.600 3.200 2.811 2.798 2.838 . 0 0 "[ . 1 . 2]" 3
3 1 1 G O6 1 22 C H41 2.000 . 2.200 1.806 1.757 1.860 0.043 11 0 "[ . 1 . 2]" 3
4 1 1 G O6 1 22 C N4 2.900 2.600 3.200 2.780 2.741 2.828 . 0 0 "[ . 1 . 2]" 3
5 1 1 G H21 1 22 C O2 2.000 . 2.200 1.756 1.734 1.780 0.066 12 0 "[ . 1 . 2]" 3
6 1 1 G N2 1 22 C O2 2.900 2.600 3.200 2.749 2.726 2.773 . 0 0 "[ . 1 . 2]" 3
7 1 2 G H1 1 21 C N3 2.000 . 2.200 1.926 1.868 1.993 . 0 0 "[ . 1 . 2]" 3
8 1 2 G N1 1 21 C N3 2.900 2.600 3.200 2.908 2.840 2.986 . 0 0 "[ . 1 . 2]" 3
9 1 2 G O6 1 21 C H41 2.000 . 2.200 2.000 1.822 2.189 . 0 0 "[ . 1 . 2]" 3
10 1 2 G O6 1 21 C N4 2.900 2.600 3.200 2.965 2.785 3.157 . 0 0 "[ . 1 . 2]" 3
11 1 2 G H21 1 21 C O2 2.000 . 2.200 1.760 1.720 1.808 0.080 14 0 "[ . 1 . 2]" 3
12 1 2 G N2 1 21 C O2 2.900 2.600 3.200 2.754 2.720 2.798 . 0 0 "[ . 1 . 2]" 3
13 1 3 A N1 1 20 U H3 2.000 . 2.200 2.207 2.183 2.226 0.026 14 0 "[ . 1 . 2]" 3
14 1 3 A N1 1 20 U N3 2.900 2.600 3.200 3.183 3.154 3.207 0.007 14 0 "[ . 1 . 2]" 3
15 1 3 A H61 1 20 U O4 2.000 . 2.200 2.025 1.917 2.123 . 0 0 "[ . 1 . 2]" 3
16 1 3 A N6 1 20 U O4 2.900 2.600 3.200 2.960 2.836 3.072 . 0 0 "[ . 1 . 2]" 3
17 1 4 G H1 1 19 C N3 2.000 . 2.200 1.820 1.773 1.879 0.027 16 0 "[ . 1 . 2]" 3
18 1 4 G N1 1 19 C N3 2.900 2.600 3.200 2.798 2.752 2.854 . 0 0 "[ . 1 . 2]" 3
19 1 4 G O6 1 19 C H41 2.000 . 2.200 1.730 1.693 1.765 0.107 19 0 "[ . 1 . 2]" 3
20 1 4 G O6 1 19 C N4 2.900 2.600 3.200 2.699 2.654 2.748 . 0 0 "[ . 1 . 2]" 3
21 1 4 G H21 1 19 C O2 2.000 . 2.200 1.894 1.777 2.031 0.023 17 0 "[ . 1 . 2]" 3
22 1 4 G N2 1 19 C O2 2.900 2.600 3.200 2.821 2.690 2.961 . 0 0 "[ . 1 . 2]" 3
23 1 5 U H3 1 18 A N1 2.000 . 2.200 1.727 1.693 1.757 0.107 4 0 "[ . 1 . 2]" 3
24 1 5 U N3 1 18 A N1 2.900 2.600 3.200 2.699 2.666 2.724 . 0 0 "[ . 1 . 2]" 3
25 1 5 U O4 1 18 A H61 2.000 . 2.200 1.915 1.785 2.057 0.015 7 0 "[ . 1 . 2]" 3
26 1 5 U O4 1 18 A N6 2.900 2.600 3.200 2.912 2.772 3.063 . 0 0 "[ . 1 . 2]" 3
27 1 6 A N1 1 17 U H3 2.000 . 2.200 1.661 1.614 1.711 0.186 8 0 "[ . 1 . 2]" 3
28 1 6 A N1 1 17 U N3 2.900 2.600 3.200 2.640 2.592 2.685 0.008 20 0 "[ . 1 . 2]" 3
29 1 6 A H61 1 17 U O4 2.000 . 2.200 1.777 1.738 1.851 0.062 7 0 "[ . 1 . 2]" 3
30 1 6 A N6 1 17 U O4 2.900 2.600 3.200 2.752 2.689 2.840 . 0 0 "[ . 1 . 2]" 3
31 1 7 U H3 1 16 A N1 2.000 . 2.200 1.712 1.682 1.739 0.118 12 0 "[ . 1 . 2]" 3
32 1 7 U N3 1 16 A N1 2.900 2.600 3.200 2.712 2.688 2.730 . 0 0 "[ . 1 . 2]" 3
33 1 7 U O4 1 16 A H61 2.000 . 2.200 1.781 1.746 1.822 0.054 4 0 "[ . 1 . 2]" 3
34 1 7 U O4 1 16 A N6 2.900 2.600 3.200 2.755 2.708 2.803 . 0 0 "[ . 1 . 2]" 3
35 1 8 G H1 1 15 C N3 2.000 . 2.200 1.804 1.779 1.822 0.021 18 0 "[ . 1 . 2]" 3
36 1 8 G N1 1 15 C N3 2.900 2.600 3.200 2.764 2.746 2.777 . 0 0 "[ . 1 . 2]" 3
37 1 8 G O6 1 15 C H41 2.000 . 2.200 1.746 1.716 1.775 0.084 13 0 "[ . 1 . 2]" 3
38 1 8 G O6 1 15 C N4 2.900 2.600 3.200 2.710 2.685 2.737 . 0 0 "[ . 1 . 2]" 3
39 1 8 G H21 1 15 C O2 2.000 . 2.200 1.732 1.713 1.762 0.087 14 0 "[ . 1 . 2]" 3
40 1 8 G N2 1 15 C O2 2.900 2.600 3.200 2.723 2.703 2.753 . 0 0 "[ . 1 . 2]" 3
41 1 9 U H3 1 14 G O6 1.900 . 2.100 1.912 1.828 2.055 . 0 0 "[ . 1 . 2]" 3
42 1 9 U N3 1 14 G O6 2.900 2.800 3.100 2.903 2.814 3.048 . 0 0 "[ . 1 . 2]" 3
43 1 9 U O2 1 14 G H1 1.900 . 2.100 1.897 1.825 1.962 . 0 0 "[ . 1 . 2]" 3
44 1 9 U O2 1 14 G N1 2.900 2.800 3.100 2.880 2.809 2.948 . 0 0 "[ . 1 . 2]" 3
45 1 10 G H21 1 13 A N7 1.900 . 2.100 1.713 1.704 1.727 0.096 9 0 "[ . 1 . 2]" 3
46 1 10 G N2 1 13 A N7 2.900 2.800 3.100 2.630 2.597 2.658 0.203 15 0 "[ . 1 . 2]" 3
47 1 10 G N3 1 13 A H62 2.000 . 2.200 1.947 1.920 1.975 . 0 0 "[ . 1 . 2]" 3
48 1 10 G N3 1 13 A N6 2.500 2.400 2.700 2.821 2.793 2.858 0.158 18 0 "[ . 1 . 2]" 3
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