NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
589983 |
5a18   |
26568 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5a18
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 418
_Distance_constraint_stats_list.Viol_count 835
_Distance_constraint_stats_list.Viol_total 897.066
_Distance_constraint_stats_list.Viol_max 1.019
_Distance_constraint_stats_list.Viol_rms 0.0823
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0215
_Distance_constraint_stats_list.Viol_average_violations_only 0.1074
_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 1.249 0.106 3 0 "[ . 1]"
1 2 A 1.761 0.154 5 0 "[ . 1]"
1 3 C 6.826 0.476 9 0 "[ . 1]"
1 4 G 6.639 0.250 4 0 "[ . 1]"
1 5 A 11.166 0.325 5 0 "[ . 1]"
1 6 U 1.493 0.113 3 0 "[ . 1]"
1 7 A 0.389 0.052 1 0 "[ . 1]"
1 8 U 1.016 0.063 2 0 "[ . 1]"
1 9 C 0.739 0.069 8 0 "[ . 1]"
1 10 G 0.246 0.060 2 0 "[ . 1]"
1 11 A 0.725 0.073 5 0 "[ . 1]"
1 12 G 7.594 0.740 5 3 "[ *+- 1]"
1 13 C 6.530 0.339 7 0 "[ . 1]"
1 14 A 8.611 1.007 5 5 "[* *+- *1]"
1 15 U 2.464 0.247 9 0 "[ . 1]"
1 16 C 7.849 0.452 6 0 "[ . 1]"
1 17 A 7.877 1.019 1 5 "[+** .* -]"
1 18 A 1.184 0.154 7 0 "[ . 1]"
1 19 G 1.268 0.116 3 0 "[ . 1]"
1 20 A 1.719 0.116 3 0 "[ . 1]"
1 21 G 0.323 0.089 9 0 "[ . 1]"
1 22 U 0.863 0.103 6 0 "[ . 1]"
1 23 G 0.667 0.079 6 0 "[ . 1]"
1 24 A 3.522 0.285 6 0 "[ . 1]"
1 25 A 2.072 0.285 6 0 "[ . 1]"
1 26 U 2.988 0.283 9 0 "[ . 1]"
1 27 A 1.113 0.093 2 0 "[ . 1]"
1 28 U 0.525 0.057 2 0 "[ . 1]"
1 29 C 2.792 0.218 1 0 "[ . 1]"
1 30 G 3.370 0.362 8 0 "[ . 1]"
1 31 U 8.442 0.362 8 0 "[ . 1]"
1 32 C 8.985 0.896 8 10 [*******+-*]
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 15 U H3' 1 16 C H6 3.200 2.400 4.000 3.635 2.624 4.076 0.076 3 0 "[ . 1]" 1
2 1 16 C H3' 1 16 C H6 3.200 2.400 4.000 2.314 2.197 2.466 0.203 4 0 "[ . 1]" 1
3 1 15 U H2' 1 16 C H6 3.200 2.400 4.000 4.004 3.791 4.101 0.101 9 0 "[ . 1]" 1
4 1 16 C H1' 1 16 C H6 3.200 2.400 4.000 3.638 3.523 3.732 . 0 0 "[ . 1]" 1
5 1 11 A H1' 1 11 A H8 4.600 3.200 6.000 3.761 3.674 3.811 . 0 0 "[ . 1]" 1
6 1 11 A H1' 1 11 A H2' 3.200 2.400 4.000 2.798 2.778 2.835 . 0 0 "[ . 1]" 1
7 1 16 C H1' 1 16 C H3' 4.600 3.200 6.000 3.943 3.871 4.019 . 0 0 "[ . 1]" 1
8 1 11 A H1' 1 11 A H4' . 3.200 4.000 3.464 3.337 3.539 . 0 0 "[ . 1]" 1
9 1 16 C H1' 1 16 C H2' 3.200 2.400 4.000 2.814 2.775 2.839 . 0 0 "[ . 1]" 1
10 1 13 C H1' 1 13 C H2' 3.200 2.400 4.000 2.799 2.735 2.890 . 0 0 "[ . 1]" 1
11 1 13 C H1' 1 13 C H4' 3.200 2.400 4.000 3.504 3.239 3.712 . 0 0 "[ . 1]" 1
12 1 11 A H1' 1 11 A H3' 4.600 3.200 6.000 3.903 3.888 3.917 . 0 0 "[ . 1]" 1
13 1 32 C H1' 1 32 C H6 . 3.200 4.000 3.552 3.542 3.566 . 0 0 "[ . 1]" 1
14 1 32 C H5 1 32 C H6 2.200 . 3.000 2.450 2.447 2.452 . 0 0 "[ . 1]" 1
15 1 32 C H3' 1 32 C H6 3.200 2.400 4.000 3.315 3.284 3.336 . 0 0 "[ . 1]" 1
16 1 32 C H2' 1 32 C H6 3.200 2.400 4.000 3.722 3.687 3.758 . 0 0 "[ . 1]" 1
17 1 31 U H3' 1 32 C H6 3.200 3.200 4.000 3.379 3.318 3.428 . 0 0 "[ . 1]" 1
18 1 31 U H2' 1 32 C H6 2.200 . 3.000 3.008 2.987 3.016 0.016 1 0 "[ . 1]" 1
19 1 15 U H3' 1 15 U H6 3.200 2.400 4.000 3.468 2.357 4.004 0.043 9 0 "[ . 1]" 1
20 1 15 U H2' 1 15 U H6 3.200 2.400 4.000 3.885 2.808 4.143 0.143 3 0 "[ . 1]" 1
21 1 14 A H3' 1 15 U H6 3.200 2.400 4.000 3.603 3.237 4.004 0.004 3 0 "[ . 1]" 1
22 1 15 U H5 1 15 U H6 2.200 . 3.000 2.404 2.399 2.407 . 0 0 "[ . 1]" 1
23 1 32 C H1' 1 32 C H3' 3.200 2.400 4.000 3.985 3.979 3.991 . 0 0 "[ . 1]" 1
24 1 32 C H1' 1 32 C H2' . 2.400 3.000 2.864 2.855 2.869 . 0 0 "[ . 1]" 1
25 1 32 C H1' 1 32 C H4' 3.200 2.400 4.000 3.385 3.373 3.409 . 0 0 "[ . 1]" 1
26 1 31 U H2' 1 32 C H1' 4.600 3.200 6.000 4.525 4.407 4.630 . 0 0 "[ . 1]" 1
27 1 2 A H2 1 32 C H1' 4.600 3.200 6.000 4.972 4.886 5.327 . 0 0 "[ . 1]" 1
28 1 15 U H1' 1 15 U H6 4.600 3.200 6.000 3.440 3.324 3.730 . 0 0 "[ . 1]" 1
29 1 15 U H1' 1 15 U H4' 3.200 2.400 4.000 3.295 3.007 3.573 . 0 0 "[ . 1]" 1
30 1 15 U H1' 1 15 U H2' 3.200 2.400 4.000 2.870 2.761 2.944 . 0 0 "[ . 1]" 1
31 1 22 U H5 1 22 U H6 . 2.400 3.000 2.413 2.409 2.416 . 0 0 "[ . 1]" 1
32 1 22 U H2' 1 22 U H6 3.200 2.400 4.000 4.064 4.016 4.103 0.103 6 0 "[ . 1]" 1
33 1 31 U H5 1 31 U H6 2.200 . 3.000 2.381 2.379 2.384 . 0 0 "[ . 1]" 1
34 1 31 U H4' 1 31 U H6 3.200 2.400 4.000 4.018 4.007 4.031 0.031 8 0 "[ . 1]" 1
35 1 31 U H2' 1 31 U H6 . 3.200 4.000 4.108 4.091 4.126 0.126 1 0 "[ . 1]" 1
36 1 31 U H1' 1 31 U H6 3.200 2.400 4.000 3.320 3.288 3.346 . 0 0 "[ . 1]" 1
37 1 30 G H1' 1 31 U H6 3.200 3.200 4.000 4.330 4.300 4.362 0.362 8 0 "[ . 1]" 1
38 1 9 C H5 1 9 C H6 . 2.400 3.000 2.465 2.462 2.470 . 0 0 "[ . 1]" 1
39 1 9 C H1' 1 9 C H6 4.600 3.200 6.000 3.568 3.547 3.592 . 0 0 "[ . 1]" 1
40 1 9 C H3' 1 9 C H6 . 2.400 3.000 2.725 2.638 2.799 . 0 0 "[ . 1]" 1
41 1 28 U H1' 1 29 C H6 4.600 3.200 6.000 5.177 5.021 5.299 . 0 0 "[ . 1]" 1
42 1 29 C H3' 1 29 C H6 2.200 . 3.000 2.379 2.306 2.411 . 0 0 "[ . 1]" 1
43 1 28 U H2' 1 29 C H6 2.200 . 3.000 2.422 2.291 2.532 . 0 0 "[ . 1]" 1
44 1 29 C H2' 1 29 C H6 3.200 2.400 4.000 3.737 3.704 3.794 . 0 0 "[ . 1]" 1
45 1 17 A H1' 1 17 A H8 3.200 2.400 4.000 3.522 3.447 3.694 . 0 0 "[ . 1]" 1
46 1 17 A H2' 1 17 A H8 3.200 2.400 4.000 3.942 3.604 4.034 0.034 8 0 "[ . 1]" 1
47 1 16 C H3' 1 17 A H8 3.200 3.200 4.000 3.270 3.076 4.001 0.124 6 0 "[ . 1]" 1
48 1 18 A H1' 1 18 A H8 3.200 2.400 4.000 3.707 3.608 3.877 . 0 0 "[ . 1]" 1
49 1 17 A H2' 1 18 A H8 . 2.400 3.000 3.024 2.932 3.071 0.071 4 0 "[ . 1]" 1
50 1 18 A H2' 1 18 A H8 3.200 2.400 4.000 3.683 2.441 4.040 0.040 2 0 "[ . 1]" 1
51 1 23 G H2' 1 24 A H8 3.200 2.400 4.000 3.818 2.618 4.001 0.001 7 0 "[ . 1]" 1
52 1 23 G H3' 1 24 A H8 4.600 3.200 6.000 5.339 4.041 6.016 0.016 5 0 "[ . 1]" 1
53 1 20 A H1' 1 20 A H8 4.600 3.200 6.000 3.725 3.706 3.742 . 0 0 "[ . 1]" 1
54 1 14 A H1' 1 14 A H8 4.600 3.200 6.000 3.543 3.379 3.627 . 0 0 "[ . 1]" 1
55 1 14 A H3' 1 14 A H8 3.200 2.400 4.000 3.871 3.480 4.034 0.034 9 0 "[ . 1]" 1
56 1 14 A H5' 1 14 A H8 3.200 2.400 4.000 4.373 3.970 5.007 1.007 5 4 "[* +- *1]" 1
57 1 12 G H5' 1 14 A H8 4.600 3.200 6.000 6.256 6.009 6.740 0.740 5 3 "[ *+- 1]" 1
58 1 2 A H1' 1 2 A H8 4.600 3.200 6.000 3.666 3.659 3.673 . 0 0 "[ . 1]" 1
59 1 1 G H1' 1 2 A H8 4.600 3.200 6.000 5.136 5.104 5.172 . 0 0 "[ . 1]" 1
60 1 2 A H8 1 3 C H5 4.600 3.200 6.000 4.190 4.066 4.277 . 0 0 "[ . 1]" 1
61 1 1 G H2' 1 2 A H8 . 2.400 3.000 2.394 2.377 2.435 0.023 6 0 "[ . 1]" 1
62 1 1 G H3' 1 2 A H8 3.200 2.400 4.000 3.181 3.082 3.270 . 0 0 "[ . 1]" 1
63 1 2 A H3' 1 2 A H8 2.200 . 3.000 2.921 2.892 2.950 . 0 0 "[ . 1]" 1
64 1 27 A H1' 1 27 A H8 4.600 3.200 6.000 3.650 3.632 3.661 . 0 0 "[ . 1]" 1
65 1 26 U H1' 1 27 A H8 4.600 3.200 6.000 4.808 4.626 5.005 . 0 0 "[ . 1]" 1
66 1 27 A H3' 1 27 A H8 3.200 2.400 4.000 3.207 3.086 3.276 . 0 0 "[ . 1]" 1
67 1 27 A H2' 1 27 A H8 3.200 2.400 4.000 4.064 4.047 4.093 0.093 2 0 "[ . 1]" 1
68 1 7 A H1' 1 7 A H8 4.600 3.200 6.000 3.537 3.478 3.572 . 0 0 "[ . 1]" 1
69 1 6 U H1' 1 7 A H8 4.600 3.200 6.000 5.072 4.944 5.142 . 0 0 "[ . 1]" 1
70 1 7 A H3' 1 7 A H8 3.200 2.400 4.000 3.751 3.630 3.830 . 0 0 "[ . 1]" 1
71 1 1 G H1' 1 1 G H8 3.200 2.400 4.000 3.653 3.637 3.675 . 0 0 "[ . 1]" 1
72 1 1 G H2' 1 1 G H8 3.200 2.400 4.000 4.075 4.042 4.106 0.106 3 0 "[ . 1]" 1
73 1 1 G H3' 1 1 G H8 3.200 2.400 4.000 3.021 2.899 3.102 . 0 0 "[ . 1]" 1
74 1 1 G H4' 1 1 G H8 4.600 3.200 6.000 4.173 4.162 4.191 . 0 0 "[ . 1]" 1
75 1 1 G H5' 1 1 G H8 . 3.200 4.000 3.343 3.190 3.510 0.010 10 0 "[ . 1]" 1
76 1 24 A H1' 1 25 A H8 4.600 3.200 6.000 4.578 3.906 5.341 . 0 0 "[ . 1]" 1
77 1 25 A H2' 1 25 A H8 3.200 2.400 4.000 4.047 3.934 4.120 0.120 8 0 "[ . 1]" 1
78 1 11 A H3' 1 11 A H8 3.200 2.400 4.000 2.974 2.736 3.357 . 0 0 "[ . 1]" 1
79 1 25 A H3' 1 25 A H8 3.200 2.400 4.000 3.355 2.881 3.815 . 0 0 "[ . 1]" 1
80 1 24 A H3' 1 25 A H8 3.200 2.400 4.000 3.395 2.480 3.818 . 0 0 "[ . 1]" 1
81 1 25 A H5' 1 25 A H8 3.200 3.200 4.000 3.978 3.737 4.036 0.036 10 0 "[ . 1]" 1
82 1 5 A H1' 1 5 A H8 4.600 3.200 6.000 3.506 3.499 3.513 . 0 0 "[ . 1]" 1
83 1 4 G H1' 1 5 A H8 4.600 3.200 6.000 4.904 4.818 4.960 . 0 0 "[ . 1]" 1
84 1 5 A H8 1 6 U H5 4.600 3.200 6.000 4.486 4.375 4.597 . 0 0 "[ . 1]" 1
85 1 4 G H2' 1 5 A H8 2.200 . 3.000 2.352 2.241 2.422 . 0 0 "[ . 1]" 1
86 1 5 A H3' 1 5 A H8 . 2.400 3.000 3.126 3.109 3.137 0.137 2 0 "[ . 1]" 1
87 1 5 A H4' 1 5 A H8 3.200 2.400 4.000 4.171 4.167 4.181 0.181 4 0 "[ . 1]" 1
88 1 4 G H4' 1 5 A H8 3.200 2.400 4.000 4.237 4.231 4.250 0.250 4 0 "[ . 1]" 1
89 1 19 G H1' 1 19 G H8 4.600 3.200 6.000 3.792 3.771 3.814 . 0 0 "[ . 1]" 1
90 1 18 A H3' 1 19 G H8 4.600 3.200 6.000 5.201 4.583 5.641 . 0 0 "[ . 1]" 1
91 1 19 G H3' 1 19 G H8 4.600 3.200 6.000 3.421 3.299 3.550 . 0 0 "[ . 1]" 1
92 1 23 G H1' 1 23 G H8 4.600 3.200 6.000 3.745 3.698 3.765 . 0 0 "[ . 1]" 1
93 1 23 G H3' 1 23 G H8 3.200 3.200 4.000 3.342 3.121 4.022 0.079 6 0 "[ . 1]" 1
94 1 23 G H2' 1 23 G H8 3.200 2.400 4.000 3.855 3.482 4.042 0.042 5 0 "[ . 1]" 1
95 1 22 U H3' 1 23 G H8 4.600 3.200 6.000 3.733 3.193 4.416 0.007 6 0 "[ . 1]" 1
96 1 22 U H2' 1 23 G H8 3.200 3.200 4.000 3.367 3.189 3.667 0.011 3 0 "[ . 1]" 1
97 1 20 A H1' 1 21 G H8 4.600 3.200 6.000 5.874 5.704 6.014 0.014 6 0 "[ . 1]" 1
98 1 21 G H1' 1 21 G H8 4.600 3.200 6.000 3.621 3.597 3.677 . 0 0 "[ . 1]" 1
99 1 20 A H3' 1 21 G H8 4.600 3.200 6.000 3.332 3.161 3.631 0.039 2 0 "[ . 1]" 1
100 1 21 G H4' 1 21 G H8 4.600 3.200 6.000 4.482 4.430 4.582 . 0 0 "[ . 1]" 1
101 1 9 C H1' 1 10 G H8 4.600 3.200 6.000 5.888 5.743 6.036 0.036 10 0 "[ . 1]" 1
102 1 12 G H1' 1 12 G H8 4.600 3.200 6.000 3.684 3.661 3.703 . 0 0 "[ . 1]" 1
103 1 11 A H3' 1 12 G H8 3.200 3.200 4.000 3.666 3.471 3.917 . 0 0 "[ . 1]" 1
104 1 9 C H3' 1 10 G H8 4.600 3.200 6.000 3.999 3.863 4.359 . 0 0 "[ . 1]" 1
105 1 9 C H2' 1 10 G H8 3.200 2.400 4.000 3.255 2.984 3.732 . 0 0 "[ . 1]" 1
106 1 4 G H1' 1 4 G H8 3.200 3.200 4.000 3.527 3.513 3.538 . 0 0 "[ . 1]" 1
107 1 3 C H1' 1 4 G H8 4.600 3.200 6.000 4.927 4.885 4.971 . 0 0 "[ . 1]" 1
108 1 4 G H2' 1 4 G H8 3.200 2.400 4.000 4.189 4.177 4.203 0.203 8 0 "[ . 1]" 1
109 1 4 G H3' 1 4 G H8 . 2.400 3.000 3.083 3.067 3.092 0.092 1 0 "[ . 1]" 1
110 1 3 C H2' 1 4 G H8 2.200 . 3.000 2.020 1.974 2.068 . 0 0 "[ . 1]" 1
111 1 30 G H8 1 31 U H5 4.600 3.200 6.000 3.929 3.869 3.985 . 0 0 "[ . 1]" 1
112 1 30 G H1' 1 30 G H8 3.200 3.200 4.000 3.543 3.527 3.564 . 0 0 "[ . 1]" 1
113 1 2 A H1' 1 3 C H6 4.600 3.200 6.000 5.330 5.256 5.402 . 0 0 "[ . 1]" 1
114 1 3 C H1' 1 3 C H6 3.200 2.400 4.000 3.565 3.559 3.570 . 0 0 "[ . 1]" 1
115 1 3 C H5 1 3 C H6 2.200 . 3.000 2.430 2.427 2.434 . 0 0 "[ . 1]" 1
116 1 2 A H3' 1 3 C H6 3.200 2.400 4.000 3.134 3.021 3.213 . 0 0 "[ . 1]" 1
117 1 3 C H2' 1 3 C H6 2.200 . 3.000 3.084 3.073 3.095 0.095 10 0 "[ . 1]" 1
118 1 28 U H5 1 28 U H6 2.200 . 3.000 2.386 2.383 2.387 . 0 0 "[ . 1]" 1
119 1 28 U H1' 1 28 U H6 3.200 3.200 4.000 3.614 3.591 3.637 . 0 0 "[ . 1]" 1
120 1 27 A H1' 1 28 U H6 4.600 3.200 6.000 5.331 5.150 5.412 . 0 0 "[ . 1]" 1
121 1 27 A H3' 1 28 U H6 3.200 2.400 4.000 3.174 3.088 3.260 . 0 0 "[ . 1]" 1
122 1 27 A H2' 1 28 U H6 2.200 . 3.000 2.562 2.328 2.685 . 0 0 "[ . 1]" 1
123 1 28 U H3' 1 28 U H6 . 2.400 3.000 2.448 2.388 2.557 0.012 4 0 "[ . 1]" 1
124 1 28 U H2' 1 28 U H6 3.200 2.400 4.000 3.637 3.508 3.700 . 0 0 "[ . 1]" 1
125 1 8 U H5 1 8 U H6 . 2.400 3.000 2.402 2.397 2.409 0.003 2 0 "[ . 1]" 1
126 1 26 U H5 1 26 U H6 2.200 . 3.000 2.432 2.429 2.435 . 0 0 "[ . 1]" 1
127 1 26 U H1' 1 26 U H6 3.200 2.400 4.000 3.576 3.561 3.596 . 0 0 "[ . 1]" 1
128 1 7 A H1' 1 8 U H6 4.600 3.200 6.000 5.728 5.652 5.811 . 0 0 "[ . 1]" 1
129 1 26 U H3' 1 26 U H6 . 2.400 3.000 2.547 2.425 2.686 . 0 0 "[ . 1]" 1
130 1 26 U H2' 1 26 U H6 2.200 . 3.000 3.275 3.261 3.283 0.283 9 0 "[ . 1]" 1
131 1 5 A H3' 1 6 U H6 3.200 2.400 4.000 2.422 2.385 2.488 0.015 7 0 "[ . 1]" 1
132 1 7 A H3' 1 8 U H6 . 3.200 4.000 3.387 3.175 3.701 0.025 2 0 "[ . 1]" 1
133 1 7 A H2' 1 8 U H6 . 2.400 3.000 2.894 2.780 3.014 0.014 2 0 "[ . 1]" 1
134 1 8 U H3' 1 8 U H6 . 2.400 3.000 2.993 2.811 3.056 0.056 7 0 "[ . 1]" 1
135 1 8 U H2' 1 8 U H6 3.200 2.400 4.000 3.696 3.512 3.894 . 0 0 "[ . 1]" 1
136 1 5 A H1' 1 6 U H6 4.600 3.200 6.000 5.488 5.467 5.508 . 0 0 "[ . 1]" 1
137 1 6 U H1' 1 6 U H6 3.200 2.400 4.000 3.440 3.429 3.448 . 0 0 "[ . 1]" 1
138 1 6 U H5 1 6 U H6 2.200 . 3.000 2.407 2.405 2.409 . 0 0 "[ . 1]" 1
139 1 6 U H2' 1 6 U H6 3.200 2.400 4.000 3.987 3.963 4.008 0.008 4 0 "[ . 1]" 1
140 1 31 U H1' 1 32 C H6 4.600 3.200 6.000 5.786 5.728 5.808 . 0 0 "[ . 1]" 1
141 1 23 G H1' 1 23 G H2' 3.200 2.400 4.000 2.845 2.752 3.006 . 0 0 "[ . 1]" 1
142 1 23 G H1' 1 23 G H4' 3.200 2.400 4.000 3.378 2.848 3.730 . 0 0 "[ . 1]" 1
143 1 18 A H1' 1 18 A H3' 3.200 2.400 4.000 3.941 3.853 4.010 0.010 4 0 "[ . 1]" 1
144 1 18 A H1' 1 18 A H2' 3.200 2.400 4.000 2.882 2.742 3.035 . 0 0 "[ . 1]" 1
145 1 18 A H1' 1 18 A H4' . 3.200 4.000 3.446 3.140 3.708 0.060 4 0 "[ . 1]" 1
146 1 1 G H1' 1 1 G H3' 3.200 2.400 4.000 3.843 3.821 3.855 . 0 0 "[ . 1]" 1
147 1 1 G H1' 1 1 G H2' . 2.400 3.000 2.764 2.758 2.769 . 0 0 "[ . 1]" 1
148 1 1 G H1' 1 1 G H4' 3.200 2.400 4.000 3.487 3.461 3.514 . 0 0 "[ . 1]" 1
149 1 17 A H1' 1 17 A H2' . 2.400 3.000 3.045 3.025 3.064 0.064 4 0 "[ . 1]" 1
150 1 16 C H3' 1 17 A H1' 4.600 3.200 6.000 5.867 5.083 6.158 0.158 10 0 "[ . 1]" 1
151 1 17 A H1' 1 17 A H4' 3.200 2.400 4.000 2.869 2.654 3.260 . 0 0 "[ . 1]" 1
152 1 19 G H1' 1 19 G H2' 3.200 2.400 4.000 2.922 2.915 2.928 . 0 0 "[ . 1]" 1
153 1 19 G H1' 1 19 G H4' 3.200 2.400 4.000 3.033 2.991 3.081 . 0 0 "[ . 1]" 1
154 1 19 G H1' 1 19 G H3' 3.200 2.400 4.000 3.963 3.946 3.974 . 0 0 "[ . 1]" 1
155 1 20 A H1' 1 20 A H2' 3.200 2.400 4.000 2.771 2.762 2.781 . 0 0 "[ . 1]" 1
156 1 20 A H1' 1 20 A H4' 3.200 2.400 4.000 3.735 3.711 3.768 . 0 0 "[ . 1]" 1
157 1 14 A H1' 1 14 A H3' 3.200 3.200 4.000 3.939 3.907 3.979 . 0 0 "[ . 1]" 1
158 1 14 A H1' 1 14 A H2' . 2.400 3.000 2.876 2.815 2.912 . 0 0 "[ . 1]" 1
159 1 21 G H1' 1 21 G H2' 3.200 2.400 4.000 2.870 2.841 2.898 . 0 0 "[ . 1]" 1
160 1 21 G H1' 1 21 G H4' . 3.200 4.000 3.218 3.111 3.300 0.089 9 0 "[ . 1]" 1
161 1 24 A H1' 1 24 A H2' 4.600 3.200 6.000 3.025 2.924 3.077 0.276 3 0 "[ . 1]" 1
162 1 24 A H1' 1 24 A H3' 4.600 3.200 6.000 3.859 3.744 3.970 . 0 0 "[ . 1]" 1
163 1 8 U H1' 1 8 U H2' 3.200 2.400 4.000 2.867 2.815 2.918 . 0 0 "[ . 1]" 1
164 1 7 A H2 1 8 U H1' 3.200 2.400 4.000 3.940 3.725 4.052 0.052 1 0 "[ . 1]" 1
165 1 8 U H1' 1 8 U H6 4.600 3.200 6.000 3.582 3.531 3.617 . 0 0 "[ . 1]" 1
166 1 4 G H1' 1 4 G H2' . 2.400 3.000 2.764 2.758 2.768 . 0 0 "[ . 1]" 1
167 1 4 G H1' 1 4 G H3' 3.200 2.400 4.000 3.758 3.750 3.765 . 0 0 "[ . 1]" 1
168 1 4 G H1' 1 4 G H4' 3.200 2.400 4.000 3.290 3.277 3.304 . 0 0 "[ . 1]" 1
169 1 13 C H1' 1 13 C H6 4.600 3.200 6.000 3.239 3.195 3.276 0.005 9 0 "[ . 1]" 1
170 1 13 C H1' 1 20 A H2 4.600 3.200 6.000 6.047 6.039 6.058 0.058 10 0 "[ . 1]" 1
171 1 13 C H1' 1 14 A H8 4.600 3.200 6.000 5.097 4.888 5.331 . 0 0 "[ . 1]" 1
172 1 4 G H1' 1 4 G H5' 4.600 3.200 6.000 4.872 4.861 4.883 . 0 0 "[ . 1]" 1
173 1 12 G H4' 1 13 C H6 3.200 2.400 4.000 4.293 4.232 4.339 0.339 7 0 "[ . 1]" 1
174 1 1 G H2' 1 2 A H1' 3.200 3.200 4.000 3.941 3.810 4.006 0.006 1 0 "[ . 1]" 1
175 1 2 A H1' 1 2 A H3' 3.200 2.400 4.000 3.845 3.836 3.857 . 0 0 "[ . 1]" 1
176 1 5 A H1' 1 5 A H2' . 2.400 3.000 2.797 2.791 2.805 . 0 0 "[ . 1]" 1
177 1 5 A H1' 1 5 A H4' . 2.400 3.000 3.314 3.300 3.325 0.325 5 0 "[ . 1]" 1
178 1 5 A H1' 1 5 A H3' 3.200 2.400 4.000 3.779 3.770 3.787 . 0 0 "[ . 1]" 1
179 1 27 A H1' 1 27 A H3' 3.200 2.400 4.000 3.874 3.859 3.885 . 0 0 "[ . 1]" 1
180 1 7 A H1' 1 7 A H2' 2.200 . 3.000 2.869 2.841 2.895 . 0 0 "[ . 1]" 1
181 1 27 A H1' 1 27 A H2' 2.200 . 3.000 2.819 2.800 2.839 . 0 0 "[ . 1]" 1
182 1 7 A H1' 1 7 A H3' 3.200 2.400 4.000 3.909 3.893 3.932 . 0 0 "[ . 1]" 1
183 1 25 A H2 1 26 U H1' 3.200 2.400 4.000 3.578 3.453 3.700 . 0 0 "[ . 1]" 1
184 1 5 A H2 1 6 U H1' 3.200 2.400 4.000 4.013 3.989 4.020 0.020 8 0 "[ . 1]" 1
185 1 28 U H1' 1 28 U H2' 2.200 . 3.000 2.807 2.798 2.827 . 0 0 "[ . 1]" 1
186 1 26 U H1' 1 26 U H2' 2.200 . 3.000 2.867 2.845 2.885 . 0 0 "[ . 1]" 1
187 1 26 U H1' 1 26 U H3' 3.200 2.400 4.000 3.931 3.923 3.944 . 0 0 "[ . 1]" 1
188 1 6 U H1' 1 6 U H4' 3.200 2.400 4.000 3.150 3.113 3.183 . 0 0 "[ . 1]" 1
189 1 2 A H2 1 3 C H1' 3.200 2.400 4.000 4.018 4.010 4.029 0.029 8 0 "[ . 1]" 1
190 1 9 C H1' 1 24 A H2 3.200 3.200 4.000 4.001 3.818 4.069 0.069 8 0 "[ . 1]" 1
191 1 27 A H2 1 28 U H1' 3.200 2.400 4.000 4.043 4.030 4.057 0.057 2 0 "[ . 1]" 1
192 1 9 C H1' 1 9 C H2' 3.200 2.400 4.000 2.819 2.798 2.847 . 0 0 "[ . 1]" 1
193 1 5 A H2 1 29 C H1' 3.200 2.400 4.000 4.061 4.050 4.074 0.074 10 0 "[ . 1]" 1
194 1 29 C H1' 1 30 G H8 4.600 3.200 6.000 5.204 5.010 5.307 . 0 0 "[ . 1]" 1
195 1 29 C H1' 1 29 C H2' 2.200 . 3.000 2.790 2.774 2.802 . 0 0 "[ . 1]" 1
196 1 29 C H1' 1 29 C H3' 3.200 2.400 4.000 3.813 3.786 3.828 . 0 0 "[ . 1]" 1
197 1 28 U H2' 1 29 C H1' 3.200 2.400 4.000 3.434 3.232 3.636 . 0 0 "[ . 1]" 1
198 1 29 C H1' 1 29 C H4' 3.200 2.400 4.000 3.450 3.437 3.460 . 0 0 "[ . 1]" 1
199 1 31 U H1' 1 31 U H3' 3.200 2.400 4.000 3.902 3.883 3.926 . 0 0 "[ . 1]" 1
200 1 31 U H1' 1 31 U H4' 3.200 2.400 4.000 3.318 3.292 3.359 . 0 0 "[ . 1]" 1
201 1 31 U H1' 1 31 U H2' . 2.400 3.000 2.837 2.825 2.846 . 0 0 "[ . 1]" 1
202 1 3 C H2' 1 3 C H5 3.200 2.400 4.000 4.467 4.459 4.476 0.476 9 0 "[ . 1]" 1
203 1 29 C H5 1 29 C H6 2.200 . 3.000 2.407 2.405 2.408 . 0 0 "[ . 1]" 1
204 1 29 C H4' 1 29 C H5 4.600 3.200 6.000 6.211 6.203 6.218 0.218 1 0 "[ . 1]" 1
205 1 28 U H2' 1 29 C H5 . 3.200 4.000 3.393 3.318 3.505 . 0 0 "[ . 1]" 1
206 1 29 C H3' 1 29 C H5 4.600 3.200 6.000 4.220 4.140 4.258 . 0 0 "[ . 1]" 1
207 1 13 C H5 1 13 C H6 3.200 2.400 4.000 2.452 2.449 2.457 . 0 0 "[ . 1]" 1
208 1 16 C H5 1 16 C H6 2.200 . 3.000 2.405 2.373 2.436 . 0 0 "[ . 1]" 1
209 1 15 U H3' 1 16 C H5 4.600 3.200 6.000 3.431 2.953 3.750 0.247 9 0 "[ . 1]" 1
210 1 15 U H4' 1 16 C H5 4.600 3.200 6.000 5.311 4.799 5.732 . 0 0 "[ . 1]" 1
211 1 31 U H3' 1 32 C H5 3.200 2.400 4.000 3.994 3.957 4.022 0.022 3 0 "[ . 1]" 1
212 1 31 U H2' 1 32 C H5 . 3.200 4.000 3.932 3.865 4.005 0.005 1 0 "[ . 1]" 1
213 1 31 U H6 1 32 C H5 4.600 3.200 6.000 5.144 5.009 5.247 . 0 0 "[ . 1]" 1
214 1 5 A H1' 1 5 A H2 4.600 3.200 6.000 5.028 5.021 5.036 . 0 0 "[ . 1]" 1
215 1 2 A H1' 1 2 A H2 4.600 3.200 6.000 4.748 4.743 4.756 . 0 0 "[ . 1]" 1
216 1 11 A H1' 1 11 A H2 4.600 3.200 6.000 4.645 4.569 4.811 . 0 0 "[ . 1]" 1
217 1 17 A H1' 1 17 A H2 4.600 3.200 6.000 5.051 4.803 5.170 . 0 0 "[ . 1]" 1
218 1 20 A H2 1 21 G H1' 4.600 3.200 6.000 4.794 4.651 4.944 . 0 0 "[ . 1]" 1
219 1 17 A H2 1 17 A H2' 4.600 3.200 6.000 4.974 4.747 5.392 . 0 0 "[ . 1]" 1
220 1 18 A H1' 1 18 A H2 4.600 3.200 6.000 4.777 4.490 4.902 . 0 0 "[ . 1]" 1
221 1 27 A H3' 1 28 U H5 3.200 2.400 4.000 3.457 3.347 3.615 . 0 0 "[ . 1]" 1
222 1 31 U H4' 1 31 U H5 4.600 3.200 6.000 6.346 6.334 6.352 0.352 3 0 "[ . 1]" 1
223 1 15 U H2' 1 15 U H5 4.600 3.200 6.000 5.345 4.649 5.510 . 0 0 "[ . 1]" 1
224 1 21 G H2' 1 22 U H5 4.600 3.200 6.000 5.471 4.892 5.974 . 0 0 "[ . 1]" 1
225 1 14 A H3' 1 15 U H5 3.200 2.400 4.000 4.034 4.011 4.061 0.061 6 0 "[ . 1]" 1
226 1 32 C H4' 1 32 C H5' 2.200 . 3.000 2.371 2.357 2.381 . 0 0 "[ . 1]" 1
227 1 32 C H2' 1 32 C H4' 4.600 3.200 6.000 3.932 3.924 3.938 . 0 0 "[ . 1]" 1
228 1 32 C H3' 1 32 C H4' 3.200 2.400 4.000 2.958 2.954 2.962 . 0 0 "[ . 1]" 1
229 1 32 C H4' 1 32 C H6 4.600 3.200 6.000 4.070 4.050 4.081 . 0 0 "[ . 1]" 1
230 1 32 C H2' 1 32 C H5 4.600 3.200 6.000 5.106 5.083 5.135 . 0 0 "[ . 1]" 1
231 1 32 C H2' 1 32 C H3' 2.200 . 3.000 2.318 2.316 2.322 . 0 0 "[ . 1]" 1
232 1 32 C H2' 1 32 C H5' 3.200 2.400 4.000 4.863 4.845 4.896 0.896 8 10 [*******+-*] 1
233 1 23 G H3' 1 23 G H4' 3.200 2.400 4.000 2.968 2.936 3.003 . 0 0 "[ . 1]" 1
234 1 23 G H4' 1 23 G H5' 3.200 2.400 4.000 2.411 2.340 2.546 0.060 9 0 "[ . 1]" 1
235 1 18 A H3' 1 18 A H4' 3.200 2.400 4.000 2.906 2.623 2.995 . 0 0 "[ . 1]" 1
236 1 18 A H4' 1 18 A H5' 2.200 . 3.000 2.346 2.229 2.527 . 0 0 "[ . 1]" 1
237 1 17 A H4' 1 17 A H5' . 2.400 3.000 2.413 2.194 2.769 0.206 5 0 "[ . 1]" 1
238 1 17 A H2' 1 17 A H4' 3.200 2.400 4.000 3.890 3.854 3.907 . 0 0 "[ . 1]" 1
239 1 15 U H3' 1 15 U H4' 2.200 . 3.000 2.974 2.936 3.000 . 10 0 "[ . 1]" 1
240 1 15 U H4' 1 15 U H5' 2.200 . 3.000 2.327 2.190 2.814 . 0 0 "[ . 1]" 1
241 1 15 U H4' 1 16 C H6 4.600 3.200 6.000 4.514 3.552 5.338 . 0 0 "[ . 1]" 1
242 1 15 U H4' 1 15 U H6 4.600 3.200 6.000 4.141 3.979 4.285 . 0 0 "[ . 1]" 1
243 1 16 C H4' 1 17 A H8 4.600 3.200 6.000 4.437 3.276 6.022 0.022 8 0 "[ . 1]" 1
244 1 16 C H1' 1 16 C H4' 3.200 2.400 4.000 3.455 3.244 3.671 . 0 0 "[ . 1]" 1
245 1 16 C H3' 1 16 C H4' 2.200 . 3.000 2.976 2.930 3.012 0.012 3 0 "[ . 1]" 1
246 1 16 C H4' 1 16 C H6 4.600 3.200 6.000 3.947 3.811 4.053 . 0 0 "[ . 1]" 1
247 1 16 C H4' 1 16 C H5' 2.200 . 3.000 2.658 2.262 2.892 . 0 0 "[ . 1]" 1
248 1 19 G H4' 1 19 G H5' 2.200 . 3.000 2.602 2.237 2.981 . 0 0 "[ . 1]" 1
249 1 19 G H3' 1 19 G H4' 2.200 . 3.000 2.996 2.991 3.002 0.002 1 0 "[ . 1]" 1
250 1 12 G H1' 1 12 G H4' 3.200 2.400 4.000 3.324 3.244 3.411 . 0 0 "[ . 1]" 1
251 1 11 A H2' 1 11 A H4' 3.200 2.400 4.000 3.863 3.836 3.882 . 0 0 "[ . 1]" 1
252 1 14 A H4' 1 14 A H8 4.600 3.200 6.000 4.518 4.377 4.581 . 0 0 "[ . 1]" 1
253 1 14 A H1' 1 14 A H4' 3.200 2.400 4.000 3.192 3.069 3.388 . 0 0 "[ . 1]" 1
254 1 20 A H4' 1 20 A H5' 2.200 . 3.000 2.207 2.198 2.219 . 0 0 "[ . 1]" 1
255 1 20 A H3' 1 20 A H4' 2.200 . 3.000 2.927 2.920 2.939 . 0 0 "[ . 1]" 1
256 1 14 A H3' 1 14 A H4' 2.200 . 3.000 2.995 2.983 3.009 0.009 7 0 "[ . 1]" 1
257 1 14 A H4' 1 14 A H5' 2.200 . 3.000 2.424 2.221 2.591 . 0 0 "[ . 1]" 1
258 1 1 G H2' 1 1 G H4' . 3.200 4.000 3.809 3.781 3.828 . 0 0 "[ . 1]" 1
259 1 1 G H3' 1 1 G H4' . 2.400 3.000 3.000 2.999 3.004 0.004 9 0 "[ . 1]" 1
260 1 1 G H4' 1 1 G H5' 2.200 . 3.000 2.631 2.442 2.810 . 0 0 "[ . 1]" 1
261 1 11 A H3' 1 11 A H4' . 2.400 3.000 2.991 2.984 2.999 . 0 0 "[ . 1]" 1
262 1 24 A H1' 1 24 A H4' 3.200 2.400 4.000 2.925 2.773 3.254 . 0 0 "[ . 1]" 1
263 1 24 A H4' 1 24 A H8 4.600 3.200 6.000 4.641 4.579 4.679 . 0 0 "[ . 1]" 1
264 1 25 A H4' 1 25 A H8 4.600 3.200 6.000 4.278 4.159 4.357 . 0 0 "[ . 1]" 1
265 1 24 A H3' 1 24 A H4' 2.200 . 3.000 2.912 2.777 3.006 0.006 3 0 "[ . 1]" 1
266 1 25 A H4' 1 25 A H5' 2.200 . 3.000 2.255 2.206 2.347 . 0 0 "[ . 1]" 1
267 1 8 U H1' 1 8 U H4' 3.200 2.400 4.000 3.238 3.089 3.388 . 0 0 "[ . 1]" 1
268 1 8 U H4' 1 8 U H6 4.600 3.200 6.000 4.143 4.013 4.247 . 0 0 "[ . 1]" 1
269 1 9 C H4' 1 9 C H6 4.600 3.200 6.000 3.970 3.909 4.056 . 0 0 "[ . 1]" 1
270 1 31 U H4' 1 31 U H5' 2.200 . 3.000 2.451 2.430 2.495 . 0 0 "[ . 1]" 1
271 1 31 U H3' 1 31 U H4' 2.200 . 3.000 2.987 2.978 2.993 . 0 0 "[ . 1]" 1
272 1 9 C H3' 1 9 C H4' 2.200 . 3.000 3.002 3.000 3.004 0.004 10 0 "[ . 1]" 1
273 1 9 C H1' 1 9 C H4' 3.200 2.400 4.000 3.394 3.302 3.456 . 0 0 "[ . 1]" 1
274 1 2 A H1' 1 2 A H4' 3.200 2.400 4.000 3.450 3.435 3.468 . 0 0 "[ . 1]" 1
275 1 2 A H4' 1 2 A H8 3.200 2.400 4.000 4.146 4.138 4.154 0.154 5 0 "[ . 1]" 1
276 1 2 A H3' 1 2 A H4' 3.200 2.400 4.000 3.000 2.997 3.003 . 0 0 "[ . 1]" 1
277 1 27 A H1' 1 27 A H4' 3.200 2.400 4.000 3.369 3.292 3.437 . 0 0 "[ . 1]" 1
278 1 7 A H1' 1 7 A H4' 3.200 2.400 4.000 3.226 3.147 3.340 . 0 0 "[ . 1]" 1
279 1 27 A H3' 1 27 A H4' 2.200 . 3.000 3.005 3.002 3.008 0.008 2 0 "[ . 1]" 1
280 1 7 A H4' 1 7 A H8 4.600 3.200 6.000 4.512 4.480 4.535 . 0 0 "[ . 1]" 1
281 1 5 A H3' 1 5 A H4' 2.200 . 3.000 3.004 3.002 3.005 0.005 2 0 "[ . 1]" 1
282 1 30 G H1' 1 30 G H4' 3.200 2.400 4.000 3.300 3.211 3.355 . 0 0 "[ . 1]" 1
283 1 26 U H1' 1 26 U H4' 3.200 2.400 4.000 3.259 3.178 3.363 . 0 0 "[ . 1]" 1
284 1 26 U H4' 1 26 U H6 3.200 2.400 4.000 4.009 3.940 4.057 0.057 1 0 "[ . 1]" 1
285 1 4 G H4' 1 4 G H8 4.600 3.200 6.000 4.355 4.349 4.361 . 0 0 "[ . 1]" 1
286 1 30 G H4' 1 30 G H8 4.600 3.200 6.000 4.429 4.409 4.465 . 0 0 "[ . 1]" 1
287 1 3 C H1' 1 3 C H4' 3.200 2.400 4.000 3.122 3.104 3.158 . 0 0 "[ . 1]" 1
288 1 28 U H4' 1 28 U H6 3.200 2.400 4.000 4.001 3.971 4.025 0.025 4 0 "[ . 1]" 1
289 1 29 C H4' 1 29 C H6 3.200 2.400 4.000 3.810 3.802 3.815 . 0 0 "[ . 1]" 1
290 1 28 U H1' 1 28 U H4' 3.200 2.400 4.000 3.338 3.307 3.373 . 0 0 "[ . 1]" 1
291 1 29 C H2' 1 29 C H4' 3.200 2.400 4.000 3.757 3.734 3.771 . 0 0 "[ . 1]" 1
292 1 29 C H3' 1 29 C H4' 2.200 . 3.000 2.999 2.997 3.001 0.001 9 0 "[ . 1]" 1
293 1 3 C H4' 1 3 C H6 3.200 2.400 4.000 4.103 4.085 4.112 0.112 5 0 "[ . 1]" 1
294 1 32 C H3' 1 32 C H5' 3.200 2.400 4.000 2.826 2.800 2.872 . 0 0 "[ . 1]" 1
295 1 31 U H2' 1 32 C H3' 4.600 3.200 6.000 6.004 5.940 6.033 0.033 3 0 "[ . 1]" 1
296 1 32 C H3' 1 32 C H5 4.600 3.200 6.000 5.126 5.064 5.165 . 0 0 "[ . 1]" 1
297 1 23 G H2' 1 23 G H3' 2.200 . 3.000 2.364 2.324 2.396 . 0 0 "[ . 1]" 1
298 1 23 G H3' 1 23 G H5' 3.200 2.400 4.000 3.215 2.451 3.739 . 0 0 "[ . 1]" 1
299 1 18 A H3' 1 18 A H8 3.200 2.400 4.000 3.561 2.801 4.154 0.154 7 0 "[ . 1]" 1
300 1 18 A H2' 1 18 A H3' 2.200 . 3.000 2.375 2.325 2.406 . 0 0 "[ . 1]" 1
301 1 18 A H2' 1 18 A H4' 3.200 2.400 4.000 3.884 3.838 3.951 . 0 0 "[ . 1]" 1
302 1 14 A H2' 1 14 A H8 3.200 2.400 4.000 4.128 4.032 4.305 0.305 1 0 "[ . 1]" 1
303 1 14 A H2' 1 15 U H6 3.200 2.400 4.000 3.335 2.393 4.037 0.037 9 0 "[ . 1]" 1
304 1 14 A H2' 1 14 A H3' 2.200 . 3.000 2.356 2.343 2.381 . 0 0 "[ . 1]" 1
305 1 16 C H3' 1 16 C H5 3.200 2.400 4.000 4.255 4.122 4.389 0.389 4 0 "[ . 1]" 1
306 1 16 C H2' 1 16 C H6 2.200 . 3.000 3.139 2.679 3.452 0.452 6 0 "[ . 1]" 1
307 1 16 C H2' 1 16 C H3' 2.200 . 3.000 2.352 2.338 2.362 . 0 0 "[ . 1]" 1
308 1 25 A H1' 1 25 A H2' 3.200 2.400 4.000 2.798 2.765 2.827 . 0 0 "[ . 1]" 1
309 1 23 G H2' 1 23 G H4' 3.200 2.400 4.000 3.918 3.828 3.992 . 0 0 "[ . 1]" 1
310 1 25 A H2' 1 25 A H4' 3.200 2.400 4.000 3.878 3.837 3.919 . 0 0 "[ . 1]" 1
311 1 11 A H2' 1 11 A H8 4.600 3.200 6.000 3.882 3.768 4.059 . 0 0 "[ . 1]" 1
312 1 20 A H2' 1 20 A H8 4.600 3.200 6.000 3.986 3.926 4.042 . 0 0 "[ . 1]" 1
313 1 5 A H2' 1 6 U H6 2.200 . 3.000 3.031 3.018 3.049 0.049 3 0 "[ . 1]" 1
314 1 2 A H2' 1 3 C H6 2.200 . 3.000 2.792 2.675 2.884 . 0 0 "[ . 1]" 1
315 1 29 C H2' 1 30 G H8 2.200 . 3.000 2.901 2.664 3.019 0.019 3 0 "[ . 1]" 1
316 1 8 U H2' 1 9 C H6 2.200 . 3.000 2.933 2.859 3.017 0.017 3 0 "[ . 1]" 1
317 1 2 A H1' 1 2 A H2' 3.200 2.400 4.000 2.806 2.800 2.813 . 0 0 "[ . 1]" 1
318 1 3 C H1' 1 3 C H2' 2.200 . 3.000 2.914 2.906 2.919 . 0 0 "[ . 1]" 1
319 1 2 A H2' 1 3 C H1' 4.600 3.200 6.000 3.901 3.795 4.005 . 0 0 "[ . 1]" 1
320 1 15 U H2' 1 15 U H3' . 2.400 3.000 2.367 2.359 2.380 0.041 8 0 "[ . 1]" 1
321 1 7 A H2' 1 7 A H3' 2.200 . 3.000 2.385 2.370 2.395 . 0 0 "[ . 1]" 1
322 1 27 A H2' 1 27 A H3' 2.200 . 3.000 2.394 2.390 2.401 . 0 0 "[ . 1]" 1
323 1 30 G H1' 1 30 G H2' 3.200 2.400 4.000 2.792 2.771 2.819 . 0 0 "[ . 1]" 1
324 1 31 U H2' 1 31 U H3' . 2.400 3.000 2.384 2.375 2.391 0.025 2 0 "[ . 1]" 1
325 1 13 C H2' 1 13 C H6 3.200 2.400 4.000 4.265 4.155 4.335 0.335 10 0 "[ . 1]" 1
326 1 13 C H2' 1 14 A H8 3.200 2.400 4.000 4.045 3.986 4.117 0.117 1 0 "[ . 1]" 1
327 1 26 U H2' 1 27 A H8 2.200 . 3.000 1.982 1.852 2.149 . 0 0 "[ . 1]" 1
328 1 6 U H2' 1 7 A H8 2.200 . 3.000 2.448 2.255 2.553 . 0 0 "[ . 1]" 1
329 1 13 C H2' 1 13 C H3' 2.200 . 3.000 2.361 2.346 2.390 . 0 0 "[ . 1]" 1
330 1 28 U H2' 1 28 U H3' 2.200 . 3.000 2.418 2.409 2.422 . 0 0 "[ . 1]" 1
331 1 30 G H2' 1 31 U H6 2.200 . 3.000 1.595 1.531 1.648 . 0 0 "[ . 1]" 1
332 1 4 G H2' 1 5 A H1' 4.600 3.200 6.000 3.209 3.183 3.261 0.017 9 0 "[ . 1]" 1
333 1 8 U H2' 1 9 C H5 3.200 2.400 4.000 4.029 3.999 4.063 0.063 2 0 "[ . 1]" 1
334 1 22 U H1' 1 22 U H2' 3.200 2.400 4.000 2.789 2.760 2.842 . 0 0 "[ . 1]" 1
335 1 9 C H2' 1 9 C H3' 2.200 . 3.000 2.397 2.390 2.405 . 0 0 "[ . 1]" 1
336 1 6 U H1' 1 6 U H2' 2.200 . 3.000 2.865 2.859 2.871 . 0 0 "[ . 1]" 1
337 1 6 U H2' 1 6 U H4' 3.200 2.400 4.000 3.714 3.698 3.729 . 0 0 "[ . 1]" 1
338 1 22 U H2' 1 22 U H3' 3.200 2.400 4.000 2.380 2.372 2.386 0.028 6 0 "[ . 1]" 1
339 1 3 C H2' 1 4 G H1' 3.200 2.400 4.000 3.192 3.080 3.276 . 0 0 "[ . 1]" 1
340 1 7 A H2 1 7 A H2' 4.600 3.200 6.000 4.378 4.261 4.487 . 0 0 "[ . 1]" 1
341 1 24 A H2' 1 25 A H8 3.200 2.400 4.000 3.344 2.382 4.285 0.285 6 0 "[ . 1]" 1
342 1 10 G H2' 1 11 A H8 3.200 2.400 4.000 2.694 2.388 2.932 0.012 9 0 "[ . 1]" 1
343 1 20 A H1' 1 20 A H3' 4.600 3.200 6.000 3.975 3.957 3.991 . 0 0 "[ . 1]" 1
344 1 19 G H2' 1 20 A H8 4.600 3.200 6.000 3.120 3.084 3.166 0.116 3 0 "[ . 1]" 1
345 1 20 A H3' 1 20 A H8 4.600 3.200 6.000 3.163 3.139 3.177 0.061 3 0 "[ . 1]" 1
346 1 1 G H2' 1 1 G H3' 2.200 . 3.000 2.402 2.392 2.416 . 0 0 "[ . 1]" 1
347 1 1 G H3' 1 1 G H5' 3.200 2.400 4.000 3.023 2.317 3.727 0.083 3 0 "[ . 1]" 1
348 1 12 G H3' 1 12 G H5' 3.200 2.400 4.000 2.917 2.492 3.230 . 0 0 "[ . 1]" 1
349 1 12 G H3' 1 12 G H8 2.200 . 3.000 3.172 3.133 3.219 0.219 9 0 "[ . 1]" 1
350 1 12 G H3' 1 12 G H4' 3.200 2.400 4.000 2.981 2.975 2.986 . 0 0 "[ . 1]" 1
351 1 21 G H3' 1 21 G H4' 2.200 . 3.000 3.004 2.996 3.009 0.009 3 0 "[ . 1]" 1
352 1 24 A H3' 1 24 A H8 4.600 3.200 6.000 4.391 3.349 5.236 . 0 0 "[ . 1]" 1
353 1 10 G H3' 1 10 G H8 3.200 2.400 4.000 3.469 3.241 3.777 . 0 0 "[ . 1]" 1
354 1 10 G H3' 1 11 A H8 3.200 2.400 4.000 3.942 3.396 4.060 0.060 2 0 "[ . 1]" 1
355 1 11 A H3' 1 11 A H5' 3.200 2.400 4.000 3.707 3.668 3.732 . 0 0 "[ . 1]" 1
356 1 11 A H3' 1 12 G H4' 3.200 2.400 4.000 4.039 4.005 4.073 0.073 5 0 "[ . 1]" 1
357 1 11 A H2' 1 11 A H3' 3.200 2.400 4.000 2.387 2.383 2.390 0.017 1 0 "[ . 1]" 1
358 1 4 G H3' 1 5 A H8 3.200 2.400 4.000 2.251 2.242 2.257 0.158 8 0 "[ . 1]" 1
359 1 30 G H3' 1 31 U H6 2.200 . 3.000 2.533 2.398 2.727 . 0 0 "[ . 1]" 1
360 1 30 G H3' 1 30 G H8 3.200 2.400 4.000 3.307 3.291 3.320 . 0 0 "[ . 1]" 1
361 1 9 C H1' 1 9 C H3' 4.600 3.200 6.000 3.884 3.863 3.901 . 0 0 "[ . 1]" 1
362 1 30 G H1' 1 30 G H3' 3.200 2.400 4.000 3.773 3.757 3.789 . 0 0 "[ . 1]" 1
363 1 26 U H3' 1 27 A H8 3.200 2.400 4.000 3.162 2.878 3.315 . 0 0 "[ . 1]" 1
364 1 8 U H2' 1 8 U H3' 3.200 2.400 4.000 2.379 2.367 2.393 0.033 1 0 "[ . 1]" 1
365 1 8 U H1' 1 8 U H3' 4.600 3.200 6.000 3.920 3.886 3.948 . 0 0 "[ . 1]" 1
366 1 5 A H2' 1 5 A H3' 2.200 . 3.000 2.423 2.420 2.429 . 0 0 "[ . 1]" 1
367 1 3 C H1' 1 3 C H3' 3.200 2.400 4.000 3.981 3.972 3.989 . 0 0 "[ . 1]" 1
368 1 6 U H3' 1 6 U H6 2.200 . 3.000 3.085 3.075 3.113 0.113 3 0 "[ . 1]" 1
369 1 31 U H3' 1 31 U H6 3.200 2.400 4.000 3.424 3.332 3.519 . 0 0 "[ . 1]" 1
370 1 28 U H3' 1 29 C H6 3.200 2.400 4.000 3.532 3.411 3.739 . 0 0 "[ . 1]" 1
371 1 6 U H3' 1 7 A H8 3.200 2.400 4.000 2.413 2.357 2.522 0.043 7 0 "[ . 1]" 1
372 1 6 U H1' 1 6 U H3' 3.200 2.400 4.000 3.828 3.819 3.836 . 0 0 "[ . 1]" 1
373 1 28 U H3' 1 29 C H5 4.600 3.200 6.000 3.750 3.625 4.054 . 0 0 "[ . 1]" 1
374 1 4 G H2' 1 4 G H3' 2.200 . 3.000 2.444 2.441 2.447 . 0 0 "[ . 1]" 1
375 1 19 G H3' 1 19 G H5' 3.200 2.400 4.000 3.367 2.295 3.723 0.105 5 0 "[ . 1]" 1
376 1 1 G H1' 1 1 G H5' 4.600 3.200 6.000 4.828 4.626 5.024 . 0 0 "[ . 1]" 1
377 1 18 A H3' 1 18 A H5' 2.200 . 3.000 2.933 2.345 3.112 0.112 10 0 "[ . 1]" 1
378 1 17 A H2' 1 17 A H5' 3.200 2.400 4.000 4.426 3.291 5.019 1.019 1 5 "[+** .* -]" 1
379 1 17 A H5' 1 17 A H8 4.600 3.200 6.000 5.261 4.906 5.484 . 0 0 "[ . 1]" 1
380 1 16 C H5' 1 16 C H6 3.200 2.400 4.000 3.135 2.392 4.025 0.025 3 0 "[ . 1]" 1
381 1 14 A H3' 1 14 A H5' 3.200 2.400 4.000 3.305 2.559 3.742 . 0 0 "[ . 1]" 1
382 1 2 A H5' 1 2 A H8 3.200 2.400 4.000 3.274 3.233 3.324 . 0 0 "[ . 1]" 1
383 1 4 G H5' 1 4 G H8 4.600 3.200 6.000 4.414 4.394 4.425 . 0 0 "[ . 1]" 1
384 1 32 C H5' 1 32 C H6 3.200 2.400 4.000 4.007 3.983 4.016 0.016 2 0 "[ . 1]" 1
385 1 31 U H5' 1 31 U H6 4.600 3.200 6.000 3.355 3.222 3.447 . 0 0 "[ . 1]" 1
386 1 32 C H1' 1 32 C H5' 4.600 3.200 6.000 5.161 5.156 5.173 . 0 0 "[ . 1]" 1
387 1 27 A H5' 1 27 A H8 4.600 3.200 6.000 4.179 4.051 4.316 . 0 0 "[ . 1]" 1
388 1 7 A H5' 1 7 A H8 4.600 3.200 6.000 4.469 4.354 4.531 . 0 0 "[ . 1]" 1
389 1 27 A H1' 1 27 A H5' 4.600 3.200 6.000 4.885 4.849 4.918 . 0 0 "[ . 1]" 1
390 1 7 A H3' 1 7 A H5' 3.200 2.400 4.000 3.713 3.703 3.722 . 0 0 "[ . 1]" 1
391 1 29 C H5' 1 29 C H6 4.600 3.200 6.000 3.406 3.295 3.595 . 0 0 "[ . 1]" 1
392 1 9 C H5' 1 9 C H6 4.600 3.200 6.000 3.849 3.738 4.009 . 0 0 "[ . 1]" 1
393 1 26 U H5' 1 26 U H6 4.600 3.200 6.000 3.948 3.813 4.057 . 0 0 "[ . 1]" 1
394 1 3 C H5' 1 3 C H6 3.200 2.400 4.000 3.993 3.864 4.029 0.029 10 0 "[ . 1]" 1
395 1 9 C H4' 1 9 C H5' 2.200 . 3.000 2.245 2.243 2.246 . 0 0 "[ . 1]" 1
396 1 5 A H5' 1 5 A H8 3.200 2.400 4.000 3.532 3.514 3.563 . 0 0 "[ . 1]" 1
397 1 3 C H1' 1 3 C H5' 4.600 3.200 6.000 4.618 4.589 4.636 . 0 0 "[ . 1]" 1
398 1 29 C H1' 1 29 C H5' 4.600 3.200 6.000 4.706 4.640 4.847 . 0 0 "[ . 1]" 1
399 1 28 U H5' 1 28 U H6 4.600 3.200 6.000 3.371 3.257 3.466 . 0 0 "[ . 1]" 1
400 1 6 U H5' 1 6 U H6 4.600 3.200 6.000 3.809 3.720 3.938 . 0 0 "[ . 1]" 1
401 1 15 U H5' 1 15 U H6 4.600 3.200 6.000 4.154 3.195 4.748 0.005 9 0 "[ . 1]" 1
402 1 15 U H5' 1 16 C H5 4.600 3.200 6.000 5.742 4.847 6.154 0.154 9 0 "[ . 1]" 1
403 1 20 A H1' 1 20 A H5' 4.600 3.200 6.000 5.196 5.177 5.215 . 0 0 "[ . 1]" 1
404 1 20 A H3' 1 20 A H5' 3.200 2.400 4.000 3.273 3.203 3.362 . 0 0 "[ . 1]" 1
405 1 1 G H1' 1 2 A H5' 4.600 3.200 6.000 4.354 4.338 4.368 . 0 0 "[ . 1]" 1
406 1 2 A H3' 1 2 A H5' 4.600 3.200 6.000 3.693 3.688 3.701 . 0 0 "[ . 1]" 1
407 1 6 U H1' 1 6 U H5' 4.600 3.200 6.000 4.531 4.514 4.546 . 0 0 "[ . 1]" 1
408 1 10 G H5' 1 10 G H8 4.600 3.200 6.000 4.611 4.323 4.816 . 0 0 "[ . 1]" 1
409 1 12 G H5' 1 12 G H8 4.600 3.200 6.000 4.392 4.138 4.564 . 0 0 "[ . 1]" 1
410 1 11 A H5' 1 11 A H8 4.600 3.200 6.000 3.693 3.356 4.165 . 0 0 "[ . 1]" 1
411 1 13 C H3' 1 13 C H6 3.200 2.400 4.000 3.796 3.532 4.004 0.004 2 0 "[ . 1]" 1
412 1 11 A H2 1 12 G H1' 4.600 3.200 6.000 4.473 3.889 4.855 . 0 0 "[ . 1]" 1
413 1 17 A H2 1 19 G H1' 4.600 3.200 6.000 5.702 4.579 6.072 0.072 5 0 "[ . 1]" 1
414 1 24 A H2 1 25 A H1' 4.600 3.200 6.000 4.766 3.858 6.036 0.036 9 0 "[ . 1]" 1
415 1 14 A H1' 1 14 A H2 4.600 3.200 6.000 4.992 4.870 5.184 . 0 0 "[ . 1]" 1
416 1 20 A H1' 1 20 A H2 4.600 3.200 6.000 4.736 4.684 4.775 . 0 0 "[ . 1]" 1
417 1 11 A H2 1 22 U H1' 4.600 3.200 6.000 5.051 4.246 6.007 0.007 6 0 "[ . 1]" 1
418 1 14 A H2 1 15 U H1' 4.600 3.200 6.000 5.150 3.700 6.013 0.013 10 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 52
_Distance_constraint_stats_list.Viol_count 80
_Distance_constraint_stats_list.Viol_total 158.814
_Distance_constraint_stats_list.Viol_max 1.312
_Distance_constraint_stats_list.Viol_rms 0.1137
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0305
_Distance_constraint_stats_list.Viol_average_violations_only 0.1985
_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 0.546 0.071 5 0 "[ . 1]"
1 2 A 0.546 0.071 5 0 "[ . 1]"
1 3 C 0.000 0.000 . 0 "[ . 1]"
1 4 G 4.705 0.475 1 0 "[ . 1]"
1 5 A 4.705 0.475 1 0 "[ . 1]"
1 6 U 0.000 0.000 . 0 "[ . 1]"
1 7 A 0.006 0.006 2 0 "[ . 1]"
1 8 U 0.000 0.000 . 0 "[ . 1]"
1 9 C 0.000 0.000 . 0 "[ . 1]"
1 13 C 0.803 0.176 1 0 "[ . 1]"
1 14 A 0.009 0.009 2 0 "[ . 1]"
1 15 U 0.009 0.009 2 0 "[ . 1]"
1 16 C 0.411 0.116 7 0 "[ . 1]"
1 17 A 0.494 0.116 7 0 "[ . 1]"
1 18 A 0.537 0.108 1 0 "[ . 1]"
1 19 G 0.453 0.108 1 0 "[ . 1]"
1 20 A 0.000 0.000 . 0 "[ . 1]"
1 21 G 0.000 0.000 . 0 "[ . 1]"
1 22 U 4.483 1.312 9 2 "[- . +1]"
1 23 G 4.774 1.312 9 2 "[- . +1]"
1 24 A 4.830 1.312 9 2 "[- . +1]"
1 25 A 1.150 0.234 6 0 "[ . 1]"
1 26 U 0.000 0.000 . 0 "[ . 1]"
1 27 A 0.006 0.006 2 0 "[ . 1]"
1 28 U 0.000 0.000 . 0 "[ . 1]"
1 29 C 2.041 0.243 7 0 "[ . 1]"
1 30 G 4.034 0.243 7 0 "[ . 1]"
1 31 U 0.000 0.000 . 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 14 A H2' 1 15 U H6 3.200 2.400 4.000 3.312 2.391 3.997 0.009 2 0 "[ . 1]" 2
2 1 30 G H2' 1 31 U H6 2.200 . 3.000 1.577 1.523 1.621 . 0 0 "[ . 1]" 2
3 1 8 U H2' 1 9 C H6 2.200 . 3.000 2.832 2.777 2.905 . 0 0 "[ . 1]" 2
4 1 8 U H3' 1 9 C H6 3.200 2.400 4.000 3.468 3.408 3.504 . 0 0 "[ . 1]" 2
5 1 29 C H1' 1 29 C H6 2.200 . 3.000 2.371 2.370 2.373 . 0 0 "[ . 1]" 2
6 1 28 U H3' 1 29 C H6 3.200 2.400 4.000 3.252 3.183 3.362 . 0 0 "[ . 1]" 2
7 1 16 C H2' 1 17 A H8 3.200 2.400 4.000 3.527 2.755 4.025 0.025 6 0 "[ . 1]" 2
8 1 19 G H3' 1 20 A H8 3.200 2.400 4.000 3.077 3.060 3.090 . 0 0 "[ . 1]" 2
9 1 19 G H2' 1 20 A H8 3.200 2.400 4.000 3.014 2.987 3.052 . 0 0 "[ . 1]" 2
10 1 14 A H2' 1 14 A H8 3.200 2.400 4.000 3.823 3.764 3.933 . 0 0 "[ . 1]" 2
11 1 2 A H2' 1 2 A H8 3.200 2.400 4.000 3.648 3.644 3.657 . 0 0 "[ . 1]" 2
12 1 27 A H4' 1 27 A H8 3.200 2.400 4.000 3.787 3.694 3.881 . 0 0 "[ . 1]" 2
13 1 26 U H2' 1 27 A H8 2.200 . 3.000 1.960 1.837 2.092 . 0 0 "[ . 1]" 2
14 1 6 U H2' 1 7 A H8 2.200 . 3.000 2.432 2.247 2.533 . 0 0 "[ . 1]" 2
15 1 24 A H2' 1 25 A H8 3.200 2.400 4.000 3.128 2.368 3.847 0.032 1 0 "[ . 1]" 2
16 1 18 A H2' 1 19 G H8 4.600 3.200 6.000 3.264 3.092 3.556 0.108 1 0 "[ . 1]" 2
17 1 20 A H2' 1 21 G H8 4.600 3.200 6.000 3.303 3.247 3.357 . 0 0 "[ . 1]" 2
18 1 20 A H4' 1 21 G H8 4.600 3.200 6.000 4.027 3.918 4.087 . 0 0 "[ . 1]" 2
19 1 30 G H2' 1 30 G H8 2.200 . 3.000 3.199 3.184 3.216 0.216 2 0 "[ . 1]" 2
20 1 29 C H2' 1 30 G H8 2.200 . 3.000 2.267 2.108 2.382 . 0 0 "[ . 1]" 2
21 1 29 C H1' 1 30 G H8 3.200 2.400 4.000 4.204 4.160 4.243 0.243 7 0 "[ . 1]" 2
22 1 2 A H2' 1 3 C H6 2.200 . 3.000 2.786 2.671 2.877 . 0 0 "[ . 1]" 2
23 1 5 A H2' 1 6 U H6 2.200 . 3.000 2.724 2.713 2.744 . 0 0 "[ . 1]" 2
24 1 1 G H1' 1 1 G H8 3.200 2.400 4.000 3.579 3.568 3.596 . 0 0 "[ . 1]" 2
25 1 7 A H1' 1 7 A H2 3.200 2.400 4.000 3.805 3.698 4.006 0.006 2 0 "[ . 1]" 2
26 1 7 A H2 1 7 A H2' 4.600 3.200 6.000 3.962 3.892 4.017 . 0 0 "[ . 1]" 2
27 1 7 A H2 1 8 U H1' 3.200 2.400 4.000 3.544 3.435 3.601 . 0 0 "[ . 1]" 2
28 1 16 C H2' 1 17 A H1' 4.600 3.200 6.000 5.728 4.456 6.116 0.116 7 0 "[ . 1]" 2
29 1 23 G H2' 1 24 A H1' 3.200 2.400 4.000 3.561 2.370 4.234 0.234 6 0 "[ . 1]" 2
30 1 22 U H1' 1 22 U H2' 3.200 2.400 4.000 2.690 2.679 2.701 . 0 0 "[ . 1]" 2
31 1 21 G H1' 1 21 G H8 3.200 2.400 4.000 3.107 3.091 3.131 . 0 0 "[ . 1]" 2
32 1 8 U H1' 1 8 U H3' 3.200 2.400 4.000 3.090 2.984 3.190 . 0 0 "[ . 1]" 2
33 1 2 A H1' 1 2 A H2' 2.200 . 3.000 2.690 2.687 2.692 . 0 0 "[ . 1]" 2
34 1 7 A H1' 1 7 A H4' 3.200 2.400 4.000 2.932 2.873 2.981 . 0 0 "[ . 1]" 2
35 1 6 U H1' 1 6 U H6 3.200 2.400 4.000 3.121 3.113 3.133 . 0 0 "[ . 1]" 2
36 1 6 U H1' 1 6 U H2' 2.200 . 3.000 2.788 2.783 2.793 . 0 0 "[ . 1]" 2
37 1 30 G H1' 1 30 G H2' 2.200 . 3.000 2.723 2.703 2.746 . 0 0 "[ . 1]" 2
38 1 8 U H4' 1 9 C H5 4.600 3.200 6.000 5.922 5.870 5.996 . 0 0 "[ . 1]" 2
39 1 8 U H2' 1 9 C H5 4.600 3.200 6.000 3.917 3.889 3.949 . 0 0 "[ . 1]" 2
40 1 30 G H2' 1 31 U H5 3.200 2.400 4.000 2.591 2.473 2.712 . 0 0 "[ . 1]" 2
41 1 13 C H1' 1 13 C H4' 4.600 3.200 6.000 3.124 3.024 3.224 0.176 1 0 "[ . 1]" 2
42 1 1 G H4' 1 1 G H8 3.200 2.400 4.000 4.055 4.041 4.071 0.071 5 0 "[ . 1]" 2
43 1 8 U H4' 1 8 U H5' 2.200 . 3.000 2.037 1.998 2.097 . 0 0 "[ . 1]" 2
44 1 7 A H4' 1 7 A H5' 2.200 . 3.000 1.999 1.999 2.001 . 0 0 "[ . 1]" 2
45 1 22 U H5' 1 23 G H3' 3.200 2.400 4.000 4.129 3.508 5.312 1.312 9 2 "[- . +1]" 2
46 1 16 C H2' 1 16 C H3' 2.200 . 3.000 2.268 2.250 2.281 . 0 0 "[ . 1]" 2
47 1 4 G H2' 1 4 G H4' 2.200 . 3.000 3.471 3.460 3.475 0.475 1 0 "[ . 1]" 2
48 1 21 G H3' 1 21 G H8 3.200 2.400 4.000 3.235 2.925 3.407 . 0 0 "[ . 1]" 2
49 1 3 C H3' 1 3 C H6 2.200 . 3.000 2.596 2.545 2.639 . 0 0 "[ . 1]" 2
50 1 16 C H2' 1 16 C H5' 2.200 . 3.000 2.645 2.260 2.862 . 0 0 "[ . 1]" 2
51 1 3 C H3' 1 3 C H5' 2.200 . 3.000 2.325 2.311 2.367 . 0 0 "[ . 1]" 2
52 1 17 A H1' 1 17 A H2 3.200 2.400 4.000 3.433 2.393 4.039 0.039 9 0 "[ . 1]" 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 62
_Distance_constraint_stats_list.Viol_count 262
_Distance_constraint_stats_list.Viol_total 99.557
_Distance_constraint_stats_list.Viol_max 0.111
_Distance_constraint_stats_list.Viol_rms 0.0260
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0161
_Distance_constraint_stats_list.Viol_average_violations_only 0.0380
_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 0.742 0.060 7 0 "[ . 1]"
1 2 A 0.664 0.078 5 0 "[ . 1]"
1 3 C 0.942 0.077 10 0 "[ . 1]"
1 4 G 1.792 0.111 8 0 "[ . 1]"
1 5 A 1.403 0.110 7 0 "[ . 1]"
1 6 U 0.655 0.061 8 0 "[ . 1]"
1 7 A 0.701 0.078 4 0 "[ . 1]"
1 8 U 0.310 0.056 1 0 "[ . 1]"
1 9 C 0.533 0.066 3 0 "[ . 1]"
1 10 G 0.466 0.038 1 0 "[ . 1]"
1 11 A 0.558 0.044 6 0 "[ . 1]"
1 12 G 0.296 0.052 3 0 "[ . 1]"
1 13 C 0.895 0.092 10 0 "[ . 1]"
1 19 G 0.895 0.092 10 0 "[ . 1]"
1 20 A 0.296 0.052 3 0 "[ . 1]"
1 21 G 0.558 0.044 6 0 "[ . 1]"
1 22 U 0.466 0.038 1 0 "[ . 1]"
1 23 G 0.533 0.066 3 0 "[ . 1]"
1 25 A 0.310 0.056 1 0 "[ . 1]"
1 26 U 0.701 0.078 4 0 "[ . 1]"
1 27 A 0.655 0.061 8 0 "[ . 1]"
1 28 U 1.403 0.110 7 0 "[ . 1]"
1 29 C 1.792 0.111 8 0 "[ . 1]"
1 30 G 0.942 0.077 10 0 "[ . 1]"
1 31 U 0.664 0.078 5 0 "[ . 1]"
1 32 C 0.742 0.060 7 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 32 C N3 2.950 2.750 3.150 3.066 3.058 3.078 . 0 0 "[ . 1]" 3
2 1 1 G H1 1 32 C N3 1.890 . 2.090 2.104 2.098 2.108 0.018 1 0 "[ . 1]" 3
3 1 1 G H22 1 32 C O2 2.080 . 2.280 2.326 2.310 2.340 0.060 7 0 "[ . 1]" 3
4 1 1 G N2 1 32 C O2 3.080 2.880 3.280 3.272 3.246 3.295 0.015 3 0 "[ . 1]" 3
5 1 1 G O6 1 32 C H42 1.710 . 1.910 1.916 1.881 1.932 0.022 10 0 "[ . 1]" 3
6 1 1 G O6 1 32 C N4 2.720 2.520 2.920 2.749 2.731 2.766 . 0 0 "[ . 1]" 3
7 1 3 C N3 1 30 G N1 2.950 2.750 3.150 2.936 2.922 2.947 . 0 0 "[ . 1]" 3
8 1 3 C N3 1 30 G H1 1.890 . 2.090 1.965 1.950 1.976 . 0 0 "[ . 1]" 3
9 1 3 C O2 1 30 G H22 2.080 . 2.280 1.942 1.914 1.971 . 0 0 "[ . 1]" 3
10 1 3 C O2 1 30 G N2 3.080 2.880 3.280 2.871 2.851 2.896 0.029 4 0 "[ . 1]" 3
11 1 3 C H42 1 30 G O6 1.710 . 1.910 1.970 1.958 1.987 0.077 10 0 "[ . 1]" 3
12 1 3 C N4 1 30 G O6 2.720 2.520 2.920 2.943 2.924 2.958 0.038 1 0 "[ . 1]" 3
13 1 4 G N1 1 29 C N3 2.950 2.750 3.150 2.870 2.860 2.883 . 0 0 "[ . 1]" 3
14 1 4 G H1 1 29 C N3 1.890 . 2.090 1.957 1.944 1.975 . 0 0 "[ . 1]" 3
15 1 4 G H22 1 29 C O2 2.080 . 2.280 2.011 2.001 2.023 . 0 0 "[ . 1]" 3
16 1 4 G N2 1 29 C O2 3.080 2.880 3.280 2.829 2.818 2.841 0.062 5 0 "[ . 1]" 3
17 1 4 G O6 1 29 C H42 1.710 . 1.910 2.011 2.004 2.021 0.111 8 0 "[ . 1]" 3
18 1 4 G O6 1 29 C N4 2.720 2.520 2.920 2.947 2.937 2.956 0.036 2 0 "[ . 1]" 3
19 1 9 C N3 1 23 G N1 2.950 2.750 3.150 3.008 2.920 3.142 . 0 0 "[ . 1]" 3
20 1 9 C N3 1 23 G H1 1.890 . 2.090 2.072 1.989 2.156 0.066 3 0 "[ . 1]" 3
21 1 9 C O2 1 23 G H22 2.080 . 2.280 2.079 1.918 2.274 . 0 0 "[ . 1]" 3
22 1 9 C O2 1 23 G N2 3.080 2.880 3.280 3.044 2.871 3.272 0.009 4 0 "[ . 1]" 3
23 1 9 C H42 1 23 G O6 1.710 . 1.910 1.935 1.907 1.957 0.047 5 0 "[ . 1]" 3
24 1 9 C N4 1 23 G O6 2.720 2.520 2.920 2.890 2.818 2.936 0.016 6 0 "[ . 1]" 3
25 1 13 C N3 1 19 G N1 2.950 2.750 3.150 2.986 2.943 3.084 . 0 0 "[ . 1]" 3
26 1 13 C N3 1 19 G H1 1.890 . 2.090 2.054 2.016 2.092 0.002 5 0 "[ . 1]" 3
27 1 13 C O2 1 19 G H22 2.080 . 2.280 1.965 1.898 2.074 . 0 0 "[ . 1]" 3
28 1 13 C O2 1 19 G N2 3.080 2.880 3.280 2.929 2.858 3.083 0.022 10 0 "[ . 1]" 3
29 1 13 C H42 1 19 G O6 1.710 . 1.910 1.980 1.952 2.002 0.092 10 0 "[ . 1]" 3
30 1 13 C N4 1 19 G O6 2.720 2.520 2.920 2.926 2.875 2.958 0.038 7 0 "[ . 1]" 3
31 1 2 A N1 1 31 U N3 2.950 2.750 3.150 2.838 2.795 2.895 . 0 0 "[ . 1]" 3
32 1 2 A N1 1 31 U H3 1.930 . 2.130 1.967 1.934 2.002 . 0 0 "[ . 1]" 3
33 1 2 A H62 1 31 U O4 1.800 . 2.000 2.066 2.057 2.078 0.078 5 0 "[ . 1]" 3
34 1 2 A N6 1 31 U O4 2.830 2.630 3.030 2.947 2.922 2.986 . 0 0 "[ . 1]" 3
35 1 5 A N1 1 28 U N3 2.950 2.750 3.150 2.831 2.817 2.848 . 0 0 "[ . 1]" 3
36 1 5 A N1 1 28 U H3 1.930 . 2.130 1.979 1.948 1.996 . 0 0 "[ . 1]" 3
37 1 5 A H62 1 28 U O4 1.800 . 2.000 2.106 2.101 2.110 0.110 7 0 "[ . 1]" 3
38 1 5 A N6 1 28 U O4 2.830 2.630 3.030 3.064 3.058 3.072 0.042 4 0 "[ . 1]" 3
39 1 6 U N3 1 27 A N1 2.950 2.750 3.150 2.886 2.846 2.931 . 0 0 "[ . 1]" 3
40 1 6 U H3 1 27 A N1 1.930 . 2.130 1.897 1.841 1.941 . 0 0 "[ . 1]" 3
41 1 6 U O4 1 27 A H62 1.800 . 2.000 2.048 2.041 2.061 0.061 8 0 "[ . 1]" 3
42 1 6 U O4 1 27 A N6 2.830 2.630 3.030 3.047 3.034 3.055 0.025 7 0 "[ . 1]" 3
43 1 7 A N1 1 26 U N3 2.950 2.750 3.150 2.889 2.774 3.098 . 0 0 "[ . 1]" 3
44 1 7 A N1 1 26 U H3 1.930 . 2.130 1.994 1.883 2.160 0.030 2 0 "[ . 1]" 3
45 1 7 A H62 1 26 U O4 1.800 . 2.000 2.063 2.026 2.078 0.078 4 0 "[ . 1]" 3
46 1 7 A N6 1 26 U O4 2.830 2.630 3.030 3.004 2.897 3.045 0.015 10 0 "[ . 1]" 3
47 1 8 U N3 1 25 A N1 2.950 2.750 3.150 3.034 2.899 3.127 . 0 0 "[ . 1]" 3
48 1 8 U H3 1 25 A N1 1.930 . 2.130 2.127 2.013 2.186 0.056 1 0 "[ . 1]" 3
49 1 8 U O4 1 25 A H62 1.800 . 2.000 1.996 1.926 2.038 0.038 10 0 "[ . 1]" 3
50 1 8 U O4 1 25 A N6 2.830 2.630 3.030 2.867 2.735 2.978 . 0 0 "[ . 1]" 3
51 1 10 G N1 1 22 U O2 2.770 2.570 2.970 2.909 2.890 2.935 . 0 0 "[ . 1]" 3
52 1 10 G H1 1 22 U O2 1.770 . 1.970 1.997 1.983 2.008 0.038 6 0 "[ . 1]" 3
53 1 10 G N2 1 22 U N3 4.560 4.360 4.760 4.547 4.504 4.572 . 0 0 "[ . 1]" 3
54 1 10 G N2 1 22 U H3 3.890 3.690 4.090 4.102 4.044 4.128 0.038 1 0 "[ . 1]" 3
55 1 11 A N1 1 21 G H1 1.890 . 1.990 2.014 1.994 2.032 0.042 7 0 "[ . 1]" 3
56 1 11 A N1 1 21 G N1 2.850 2.750 2.950 2.963 2.945 2.982 0.032 4 0 "[ . 1]" 3
57 1 11 A H62 1 21 G O6 1.840 . 1.940 1.957 1.927 1.984 0.044 6 0 "[ . 1]" 3
58 1 11 A N6 1 21 G O6 2.850 2.750 2.950 2.892 2.838 2.945 . 0 0 "[ . 1]" 3
59 1 12 G H1 1 20 A N1 1.890 . 1.990 1.945 1.917 1.989 . 0 0 "[ . 1]" 3
60 1 12 G N1 1 20 A N1 2.850 2.750 2.950 2.858 2.821 2.903 . 0 0 "[ . 1]" 3
61 1 12 G O6 1 20 A H62 1.840 . 1.940 1.969 1.956 1.992 0.052 3 0 "[ . 1]" 3
62 1 12 G O6 1 20 A N6 2.850 2.750 2.950 2.914 2.883 2.953 0.003 9 0 "[ . 1]" 3
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