Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
539625 | 2lp9 RC | 18239 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lp9
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 238
_Distance_constraint_stats_list.Viol_count 219
_Distance_constraint_stats_list.Viol_total 114.318
_Distance_constraint_stats_list.Viol_max 0.728
_Distance_constraint_stats_list.Viol_rms 0.0376
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0048
_Distance_constraint_stats_list.Viol_average_violations_only 0.0522
_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 0.317 0.034 8 0 "[ . 1]"
1 2 A 0.559 0.034 8 0 "[ . 1]"
1 3 G 0.530 0.037 2 0 "[ . 1]"
1 4 G 0.568 0.037 2 0 "[ . 1]"
1 5 A 0.279 0.031 10 0 "[ . 1]"
1 6 C 0.268 0.029 7 0 "[ . 1]"
1 7 A 0.840 0.061 6 0 "[ . 1]"
1 8 U 0.363 0.027 9 0 "[ . 1]"
1 9 A 7.175 0.728 3 5 "[ +** -* 1]"
1 10 G 0.382 0.031 10 0 "[ . 1]"
1 11 A 0.517 0.046 3 0 "[ . 1]"
1 12 U 1.086 0.414 2 0 "[ . 1]"
1 13 C 0.391 0.048 3 0 "[ . 1]"
1 14 U 0.000 0.000 . 0 "[ . 1]"
1 15 U 0.527 0.046 7 0 "[ . 1]"
1 16 C 0.429 0.046 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 H1' 1 1 G H2' 3.150 . 4.500 2.710 2.705 2.713 . 0 0 "[ . 1]" 1
2 1 1 G H1' 1 1 G H3' 3.150 . 4.500 3.745 3.740 3.751 . 0 0 "[ . 1]" 1
3 1 1 G H1' 1 1 G H4' 3.150 . 4.500 3.451 3.439 3.472 . 0 0 "[ . 1]" 1
4 1 1 G H1' 1 1 G H5' 4.500 3.000 6.000 4.937 4.598 5.265 . 0 0 "[ . 1]" 1
5 1 1 G H1' 1 1 G H8 3.150 . 4.500 3.770 3.754 3.776 . 0 0 "[ . 1]" 1
6 1 1 G H2' 1 1 G H8 3.150 . 4.500 4.110 4.091 4.154 . 0 0 "[ . 1]" 1
7 1 1 G H3' 1 1 G H8 3.150 . 4.500 2.912 2.883 2.984 . 0 0 "[ . 1]" 1
8 1 1 G H4' 1 1 G H8 4.500 3.000 6.000 4.302 4.283 4.319 . 0 0 "[ . 1]" 1
9 1 1 G H5' 1 1 G H8 3.150 . 4.500 3.238 2.378 4.096 . 0 0 "[ . 1]" 1
10 1 1 G H1' 1 2 A H1' 4.500 3.000 6.000 5.567 5.475 5.683 . 0 0 "[ . 1]" 1
11 1 1 G H2' 1 2 A H1' 3.150 . 4.500 4.062 3.992 4.095 . 0 0 "[ . 1]" 1
12 1 1 G H1' 1 2 A H8 3.150 . 4.500 4.532 4.530 4.534 0.034 8 0 "[ . 1]" 1
13 1 1 G H2' 1 2 A H8 2.400 . 3.000 2.056 2.022 2.084 . 0 0 "[ . 1]" 1
14 1 1 G H3' 1 2 A H8 3.150 . 4.500 3.040 2.970 3.086 . 0 0 "[ . 1]" 1
15 1 1 G H4' 1 2 A H8 4.500 3.000 6.000 5.501 5.450 5.555 . 0 0 "[ . 1]" 1
16 1 1 G H5' 1 2 A H8 4.500 3.000 6.000 5.623 5.272 5.918 . 0 0 "[ . 1]" 1
17 1 2 A H1' 1 2 A H2 4.500 3.000 6.000 4.777 4.770 4.786 . 0 0 "[ . 1]" 1
18 1 2 A H1' 1 2 A H2' 2.400 . 3.000 2.739 2.733 2.743 . 0 0 "[ . 1]" 1
19 1 2 A H1' 1 2 A H4' 3.150 . 4.500 3.332 3.312 3.351 . 0 0 "[ . 1]" 1
20 1 2 A H1' 1 2 A H5' 4.500 3.000 6.000 4.745 4.737 4.750 . 0 0 "[ . 1]" 1
21 1 2 A H1' 1 2 A H8 3.150 . 4.500 3.767 3.763 3.772 . 0 0 "[ . 1]" 1
22 1 2 A H2' 1 2 A H8 3.150 . 4.500 4.112 4.095 4.135 . 0 0 "[ . 1]" 1
23 1 2 A H4' 1 2 A H8 4.500 3.000 6.000 4.413 4.398 4.429 . 0 0 "[ . 1]" 1
24 1 2 A H5' 1 2 A H8 4.500 3.000 6.000 3.914 3.880 3.961 . 0 0 "[ . 1]" 1
25 1 2 A H1' 1 3 G H1' 4.500 3.000 6.000 5.855 5.734 5.930 . 0 0 "[ . 1]" 1
26 1 2 A H2 1 3 G H1' 3.150 . 4.500 3.758 3.686 3.849 . 0 0 "[ . 1]" 1
27 1 2 A H1' 1 3 G H8 3.150 . 4.500 4.524 4.513 4.530 0.030 8 0 "[ . 1]" 1
28 1 2 A H2 1 3 G H8 4.500 3.000 6.000 4.702 4.570 4.788 . 0 0 "[ . 1]" 1
29 1 2 A H2' 1 3 G H8 3.150 . 4.500 2.034 2.014 2.050 . 0 0 "[ . 1]" 1
30 1 2 A H8 1 3 G H8 4.500 3.000 6.000 4.732 4.684 4.804 . 0 0 "[ . 1]" 1
31 1 3 G H1' 1 3 G H2' 2.400 . 3.000 2.745 2.738 2.751 . 0 0 "[ . 1]" 1
32 1 3 G H1' 1 3 G H3' 3.150 . 4.500 3.743 3.736 3.748 . 0 0 "[ . 1]" 1
33 1 3 G H1' 1 3 G H4' 3.150 . 4.500 3.280 3.260 3.311 . 0 0 "[ . 1]" 1
34 1 3 G H1' 1 3 G H5' 4.500 3.000 6.000 4.706 4.698 4.711 . 0 0 "[ . 1]" 1
35 1 3 G H1' 1 3 G H8 3.150 . 4.500 3.753 3.744 3.757 . 0 0 "[ . 1]" 1
36 1 3 G H2' 1 3 G H8 3.150 . 4.500 4.135 4.121 4.164 . 0 0 "[ . 1]" 1
37 1 3 G H3' 1 3 G H8 3.150 . 4.500 3.081 3.052 3.143 . 0 0 "[ . 1]" 1
38 1 3 G H4' 1 3 G H8 4.500 3.000 6.000 4.466 4.442 4.483 . 0 0 "[ . 1]" 1
39 1 3 G H5' 1 3 G H8 3.150 . 4.500 3.971 3.913 4.040 . 0 0 "[ . 1]" 1
40 1 3 G H2' 1 4 G H1' 4.500 3.000 6.000 3.971 3.859 4.073 . 0 0 "[ . 1]" 1
41 1 3 G H1' 1 4 G H8 3.150 . 4.500 4.529 4.522 4.537 0.037 2 0 "[ . 1]" 1
42 1 3 G H2' 1 4 G H8 2.400 . 3.000 2.026 2.019 2.035 . 0 0 "[ . 1]" 1
43 1 3 G H3' 1 4 G H8 3.150 . 4.500 2.913 2.634 3.000 . 0 0 "[ . 1]" 1
44 1 4 G H1' 1 4 G H2' 2.400 . 3.000 2.741 2.724 2.760 . 0 0 "[ . 1]" 1
45 1 4 G H1' 1 4 G H3' 3.150 . 4.500 3.746 3.732 3.761 . 0 0 "[ . 1]" 1
46 1 4 G H1' 1 4 G H4' 3.150 . 4.500 3.320 3.270 3.375 . 0 0 "[ . 1]" 1
47 1 4 G H1' 1 4 G H5' 4.500 3.000 6.000 4.708 4.693 4.720 . 0 0 "[ . 1]" 1
48 1 4 G H1' 1 4 G H8 3.150 . 4.500 3.754 3.740 3.773 . 0 0 "[ . 1]" 1
49 1 4 G H2' 1 4 G H8 3.150 . 4.500 4.150 4.110 4.196 . 0 0 "[ . 1]" 1
50 1 4 G H3' 1 4 G H8 3.150 . 4.500 3.096 2.987 3.145 . 0 0 "[ . 1]" 1
51 1 4 G H4' 1 4 G H8 3.150 . 4.500 4.471 4.412 4.502 0.002 10 0 "[ . 1]" 1
52 1 4 G H5' 1 4 G H8 3.150 . 4.500 3.951 3.806 4.019 . 0 0 "[ . 1]" 1
53 1 4 G H2' 1 5 A H1' 3.150 . 4.500 3.999 3.920 4.084 . 0 0 "[ . 1]" 1
54 1 4 G H1' 1 5 A H8 3.150 . 4.500 4.528 4.523 4.531 0.031 10 0 "[ . 1]" 1
55 1 4 G H2' 1 5 A H8 2.400 . 3.000 2.088 2.053 2.133 . 0 0 "[ . 1]" 1
56 1 4 G H3' 1 5 A H8 3.150 . 4.500 3.009 2.876 3.159 . 0 0 "[ . 1]" 1
57 1 4 G H8 1 5 A H8 4.500 3.000 6.000 4.578 4.490 4.645 . 0 0 "[ . 1]" 1
58 1 5 A H1' 1 5 A H2 4.500 3.000 6.000 4.852 4.839 4.879 . 0 0 "[ . 1]" 1
59 1 5 A H1' 1 5 A H2' 2.400 . 3.000 2.799 2.772 2.834 . 0 0 "[ . 1]" 1
60 1 5 A H2 1 5 A H2' 4.500 3.000 6.000 4.626 4.553 4.681 . 0 0 "[ . 1]" 1
61 1 5 A H1' 1 5 A H3' 3.150 . 4.500 3.828 3.805 3.848 . 0 0 "[ . 1]" 1
62 1 5 A H1' 1 5 A H5' 4.500 3.000 6.000 4.705 4.657 4.731 . 0 0 "[ . 1]" 1
63 1 5 A H1' 1 5 A H8 3.150 . 4.500 3.714 3.693 3.737 . 0 0 "[ . 1]" 1
64 1 5 A H2' 1 5 A H8 3.150 . 4.500 4.132 4.089 4.194 . 0 0 "[ . 1]" 1
65 1 5 A H3' 1 5 A H8 3.150 . 4.500 3.433 3.246 3.578 . 0 0 "[ . 1]" 1
66 1 5 A H5' 1 5 A H8 3.150 . 4.500 4.049 3.923 4.216 . 0 0 "[ . 1]" 1
67 1 5 A H1' 1 6 C H1' 4.500 3.000 6.000 5.781 5.555 5.891 . 0 0 "[ . 1]" 1
68 1 5 A H2 1 6 C H1' 3.150 . 4.500 3.296 3.042 3.753 . 0 0 "[ . 1]" 1
69 1 5 A H1' 1 6 C H5 4.500 3.000 6.000 5.764 5.696 5.861 . 0 0 "[ . 1]" 1
70 1 5 A H3' 1 6 C H5 3.150 . 4.500 3.567 3.046 3.833 . 0 0 "[ . 1]" 1
71 1 5 A H2' 1 6 C H5 4.500 3.000 6.000 4.023 3.879 4.175 . 0 0 "[ . 1]" 1
72 1 5 A H8 1 6 C H5 3.150 . 4.500 3.768 3.475 3.971 . 0 0 "[ . 1]" 1
73 1 5 A H1' 1 6 C H6 4.500 3.000 6.000 4.903 4.828 5.004 . 0 0 "[ . 1]" 1
74 1 5 A H2' 1 6 C H6 3.150 . 4.500 2.333 2.233 2.448 . 0 0 "[ . 1]" 1
75 1 5 A H3' 1 6 C H6 3.150 . 4.500 2.771 2.319 2.954 . 0 0 "[ . 1]" 1
76 1 5 A H8 1 6 C H6 4.500 3.000 6.000 4.624 4.489 4.753 . 0 0 "[ . 1]" 1
77 1 6 C H1' 1 6 C H2' 2.400 . 3.000 2.847 2.809 2.895 . 0 0 "[ . 1]" 1
78 1 6 C H1' 1 6 C H3' 3.150 . 4.500 3.817 3.805 3.833 . 0 0 "[ . 1]" 1
79 1 6 C H1' 1 6 C H4' 3.150 . 4.500 3.090 2.998 3.222 . 0 0 "[ . 1]" 1
80 1 6 C H1' 1 6 C H5 5.000 3.000 7.000 5.384 5.372 5.413 . 0 0 "[ . 1]" 1
81 1 6 C H2' 1 6 C H5 4.500 3.000 6.000 5.144 4.987 5.257 . 0 0 "[ . 1]" 1
82 1 6 C H3' 1 6 C H5 4.500 3.000 6.000 4.927 4.844 5.034 . 0 0 "[ . 1]" 1
83 1 6 C H1' 1 6 C H5' 4.500 3.000 6.000 4.588 4.554 4.631 . 0 0 "[ . 1]" 1
84 1 6 C H1' 1 6 C H6 3.150 . 4.500 3.664 3.654 3.687 . 0 0 "[ . 1]" 1
85 1 6 C H2' 1 6 C H6 3.150 . 4.500 3.700 3.490 3.836 . 0 0 "[ . 1]" 1
86 1 6 C H3' 1 6 C H6 4.500 3.000 6.000 2.985 2.971 2.993 0.029 7 0 "[ . 1]" 1
87 1 6 C H4' 1 6 C H6 4.500 3.000 6.000 4.331 4.285 4.361 . 0 0 "[ . 1]" 1
88 1 6 C H5' 1 6 C H6 4.500 3.000 6.000 3.994 3.858 4.108 . 0 0 "[ . 1]" 1
89 1 6 C H2' 1 7 A H1' 3.150 . 4.500 4.481 4.397 4.521 0.021 3 0 "[ . 1]" 1
90 1 6 C H1' 1 7 A H8 5.000 3.000 7.000 5.430 5.090 5.821 . 0 0 "[ . 1]" 1
91 1 6 C H2' 1 7 A H8 3.150 . 4.500 3.551 3.256 3.756 . 0 0 "[ . 1]" 1
92 1 6 C H3' 1 7 A H8 3.150 . 4.500 2.118 2.048 2.214 . 0 0 "[ . 1]" 1
93 1 6 C H4' 1 7 A H8 5.000 3.000 7.000 5.033 4.901 5.169 . 0 0 "[ . 1]" 1
94 1 6 C H6 1 7 A H8 3.150 . 4.500 3.251 2.595 3.946 . 0 0 "[ . 1]" 1
95 1 7 A H1' 1 7 A H2 5.000 3.000 7.000 4.684 4.636 4.768 . 0 0 "[ . 1]" 1
96 1 7 A H1' 1 7 A H2' 2.400 . 3.000 3.030 3.027 3.034 0.034 10 0 "[ . 1]" 1
97 1 7 A H1' 1 7 A H3' 3.150 . 4.500 3.798 3.748 3.860 . 0 0 "[ . 1]" 1
98 1 7 A H1' 1 7 A H4' 3.150 . 4.500 3.151 3.002 3.333 . 0 0 "[ . 1]" 1
99 1 7 A H1' 1 7 A H5' 5.000 3.000 7.000 4.672 4.599 4.743 . 0 0 "[ . 1]" 1
100 1 7 A H1' 1 7 A H8 3.150 . 4.500 3.871 3.806 3.924 . 0 0 "[ . 1]" 1
101 1 7 A H2' 1 7 A H8 3.150 . 4.500 2.897 2.475 3.294 . 0 0 "[ . 1]" 1
102 1 7 A H3' 1 7 A H8 4.500 3.000 6.000 4.715 4.349 5.031 . 0 0 "[ . 1]" 1
103 1 7 A H4' 1 7 A H8 4.500 3.000 6.000 4.702 4.666 4.738 . 0 0 "[ . 1]" 1
104 1 7 A H5' 1 7 A H8 3.150 . 4.500 4.111 3.991 4.218 . 0 0 "[ . 1]" 1
105 1 7 A H1' 1 8 U H2' 5.000 3.000 7.000 5.751 5.404 6.169 . 0 0 "[ . 1]" 1
106 1 7 A H1' 1 8 U H5 3.150 . 4.500 3.240 2.447 4.049 . 0 0 "[ . 1]" 1
107 1 7 A H1' 1 8 U H6 4.500 3.000 6.000 3.272 2.997 3.804 0.003 10 0 "[ . 1]" 1
108 1 7 A H3' 1 8 U H6 4.500 3.000 6.000 4.934 4.567 5.397 . 0 0 "[ . 1]" 1
109 1 7 A H2' 1 8 U H6 4.500 3.000 6.000 5.311 4.822 6.011 0.011 5 0 "[ . 1]" 1
110 1 8 U H1' 1 8 U H2' 2.400 . 3.000 3.024 3.021 3.027 0.027 9 0 "[ . 1]" 1
111 1 8 U H1' 1 8 U H3' 3.150 . 4.500 3.771 3.734 3.822 . 0 0 "[ . 1]" 1
112 1 8 U H1' 1 8 U H4' 3.150 . 4.500 3.140 3.025 3.318 . 0 0 "[ . 1]" 1
113 1 8 U H2' 1 8 U H5 4.500 3.000 6.000 4.625 4.564 4.658 . 0 0 "[ . 1]" 1
114 1 7 A H4' 1 8 U H5 4.500 3.000 6.000 5.781 5.117 6.009 0.009 3 0 "[ . 1]" 1
115 1 8 U H1' 1 8 U H6 3.150 . 4.500 3.737 3.725 3.743 . 0 0 "[ . 1]" 1
116 1 8 U H2' 1 8 U H6 2.400 . 3.000 2.640 2.599 2.687 . 0 0 "[ . 1]" 1
117 1 8 U H3' 1 8 U H6 3.150 . 4.500 4.432 4.328 4.504 0.004 6 0 "[ . 1]" 1
118 1 8 U H4' 1 8 U H6 4.500 3.000 6.000 4.432 4.317 4.533 . 0 0 "[ . 1]" 1
119 1 8 U H5' 1 8 U H6 3.150 . 4.500 3.480 3.037 3.803 . 0 0 "[ . 1]" 1
120 1 6 C H1' 1 9 A H2 5.000 3.000 7.000 5.099 4.487 5.665 . 0 0 "[ . 1]" 1
121 1 6 C H2' 1 9 A H2 3.150 . 4.450 3.594 3.023 4.145 . 0 0 "[ . 1]" 1
122 1 6 C H3' 1 9 A H2 5.000 3.000 7.000 5.812 5.244 6.347 . 0 0 "[ . 1]" 1
123 1 6 C H5 1 9 A H2 5.000 3.000 7.000 6.709 5.852 7.017 0.017 7 0 "[ . 1]" 1
124 1 8 U H6 1 9 A H2 5.000 3.000 7.000 5.613 5.013 6.260 . 0 0 "[ . 1]" 1
125 1 7 A H1' 1 9 A H2 5.000 3.000 7.000 4.618 4.337 4.986 . 0 0 "[ . 1]" 1
126 1 7 A H2' 1 9 A H2 5.000 3.000 7.000 6.471 6.293 6.771 . 0 0 "[ . 1]" 1
127 1 7 A H3' 1 9 A H2 5.000 3.000 7.000 5.948 5.711 6.339 . 0 0 "[ . 1]" 1
128 1 7 A H4' 1 9 A H2 4.500 3.000 6.000 3.154 2.981 3.586 0.019 9 0 "[ . 1]" 1
129 1 7 A H1' 1 9 A H8 5.000 3.000 7.000 7.038 7.010 7.061 0.061 6 0 "[ . 1]" 1
130 1 8 U H4' 1 9 A H2 4.500 3.000 6.000 4.560 3.866 5.454 . 0 0 "[ . 1]" 1
131 1 8 U H5' 1 9 A H2 3.150 . 4.500 3.522 2.835 4.108 . 0 0 "[ . 1]" 1
132 1 8 U H2' 1 9 A H8 5.000 3.000 7.000 6.149 5.884 6.483 . 0 0 "[ . 1]" 1
133 1 8 U H4' 1 9 A H8 4.500 3.000 6.000 5.138 4.101 6.019 0.019 4 0 "[ . 1]" 1
134 1 9 A H5' 1 9 A H8 4.500 3.000 6.000 6.256 5.866 6.728 0.728 3 4 "[ +** - 1]" 1
135 1 8 U H5' 1 9 A H8 5.000 3.000 7.000 6.277 5.731 6.604 . 0 0 "[ . 1]" 1
136 1 9 A H1' 1 9 A H2 3.150 . 4.500 4.600 4.567 4.612 0.112 6 0 "[ . 1]" 1
137 1 9 A H2 1 9 A H5' 5.000 3.000 7.000 6.986 6.538 7.565 0.565 7 1 "[ . + 1]" 1
138 1 9 A H1' 1 9 A H2' 2.400 . 3.000 3.038 3.032 3.045 0.045 2 0 "[ . 1]" 1
139 1 9 A H1' 1 9 A H4' 3.150 . 4.500 2.742 2.467 3.171 . 0 0 "[ . 1]" 1
140 1 9 A H1' 1 9 A H5' 4.500 3.000 6.000 4.620 4.264 4.832 . 0 0 "[ . 1]" 1
141 1 9 A H1' 1 9 A H8 3.150 . 4.500 3.729 3.696 3.780 . 0 0 "[ . 1]" 1
142 1 9 A H2' 1 9 A H8 3.150 . 4.500 2.327 2.081 2.455 . 0 0 "[ . 1]" 1
143 1 9 A H4' 1 9 A H8 4.500 3.000 6.000 5.552 5.276 5.727 . 0 0 "[ . 1]" 1
144 1 9 A H1' 1 10 G H2' 4.500 3.000 6.000 5.692 5.246 6.010 0.010 10 0 "[ . 1]" 1
145 1 9 A H2' 1 10 G H8 5.000 3.000 7.000 5.307 4.774 5.701 . 0 0 "[ . 1]" 1
146 1 10 G H1' 1 10 G H2' 2.400 . 3.000 3.023 3.007 3.031 0.031 10 0 "[ . 1]" 1
147 1 10 G H1' 1 10 G H3' 3.150 . 4.500 3.750 3.692 3.779 . 0 0 "[ . 1]" 1
148 1 10 G H1' 1 10 G H4' 3.150 . 4.500 2.799 2.452 3.127 . 0 0 "[ . 1]" 1
149 1 10 G H1' 1 10 G H5'' 4.500 3.000 6.000 4.449 4.332 4.545 . 0 0 "[ . 1]" 1
150 1 10 G H1' 1 10 G H8 3.150 . 4.500 3.868 3.786 3.913 . 0 0 "[ . 1]" 1
151 1 10 G H2' 1 10 G H8 2.400 . 3.000 2.473 2.135 3.009 0.009 1 0 "[ . 1]" 1
152 1 10 G H4' 1 10 G H8 4.500 3.000 6.000 5.174 4.823 5.485 . 0 0 "[ . 1]" 1
153 1 10 G H5'' 1 10 G H8 3.150 . 4.500 4.097 4.042 4.150 . 0 0 "[ . 1]" 1
154 1 9 A H1' 1 11 A H8 5.000 3.000 7.000 4.818 3.239 6.322 . 0 0 "[ . 1]" 1
155 1 10 G H1' 1 11 A H8 5.000 3.000 7.000 3.161 2.988 3.986 0.012 8 0 "[ . 1]" 1
156 1 10 G H4' 1 11 A H8 4.500 3.000 6.000 3.587 2.975 4.574 0.025 6 0 "[ . 1]" 1
157 1 11 A H1' 1 11 A H2 5.000 3.000 7.000 4.595 4.493 4.713 . 0 0 "[ . 1]" 1
158 1 11 A H1' 1 11 A H2' 2.400 . 3.000 2.892 2.766 3.020 0.020 3 0 "[ . 1]" 1
159 1 11 A H1' 1 11 A H4' 3.150 . 4.500 2.959 2.477 3.361 . 0 0 "[ . 1]" 1
160 1 11 A H1' 1 11 A H5' 4.500 3.000 6.000 4.508 4.328 4.646 . 0 0 "[ . 1]" 1
161 1 11 A H1' 1 11 A H8 3.150 . 4.500 3.866 3.783 3.933 . 0 0 "[ . 1]" 1
162 1 11 A H2' 1 11 A H8 2.400 . 3.000 3.027 3.002 3.046 0.046 3 0 "[ . 1]" 1
163 1 11 A H4' 1 11 A H8 4.500 3.000 6.000 4.554 4.420 4.681 . 0 0 "[ . 1]" 1
164 1 11 A H5' 1 11 A H8 3.150 . 4.500 4.262 4.150 4.493 . 0 0 "[ . 1]" 1
165 1 10 G H1' 1 12 U H1' 4.500 3.000 6.000 4.886 4.138 5.563 . 0 0 "[ . 1]" 1
166 1 11 A H2' 1 12 U H1' 4.500 3.000 6.000 3.399 2.995 4.075 0.005 10 0 "[ . 1]" 1
167 1 10 G H1' 1 12 U H5 5.000 3.000 7.000 4.092 2.991 5.343 0.009 6 0 "[ . 1]" 1
168 1 10 G H2' 1 12 U H5 3.150 . 4.500 3.956 3.144 4.450 . 0 0 "[ . 1]" 1
169 1 10 G H8 1 12 U H5 4.500 3.000 6.000 4.179 3.949 4.993 . 0 0 "[ . 1]" 1
170 1 10 G H1' 1 12 U H6 3.150 . 4.500 3.466 2.555 4.502 0.002 3 0 "[ . 1]" 1
171 1 11 A H2 1 12 U H1' 5.000 3.000 7.000 6.844 6.389 7.018 0.018 4 0 "[ . 1]" 1
172 1 10 G H2' 1 12 U H6 4.500 3.000 6.000 4.317 3.163 5.394 . 0 0 "[ . 1]" 1
173 1 11 A H2' 1 12 U H6 4.500 3.000 6.000 5.067 4.471 5.735 . 0 0 "[ . 1]" 1
174 1 12 U H1' 1 12 U H2' 3.150 . 4.500 2.757 2.722 2.856 . 0 0 "[ . 1]" 1
175 1 12 U H1' 1 12 U H3' 3.150 . 4.500 3.755 3.746 3.785 . 0 0 "[ . 1]" 1
176 1 12 U H2' 1 12 U H5 4.500 3.000 6.000 5.411 5.103 5.570 . 0 0 "[ . 1]" 1
177 1 12 U H3' 1 12 U H5 4.500 3.000 6.000 4.776 4.574 5.110 . 0 0 "[ . 1]" 1
178 1 12 U H1' 1 12 U H6 3.150 . 4.500 3.598 3.566 3.642 . 0 0 "[ . 1]" 1
179 1 12 U H2' 1 12 U H6 3.150 . 4.500 3.973 3.701 4.145 . 0 0 "[ . 1]" 1
180 1 12 U H3' 1 12 U H6 3.150 . 4.500 2.970 2.838 3.177 . 0 0 "[ . 1]" 1
181 1 12 U H4' 1 12 U H6 3.150 . 4.500 4.228 4.082 4.480 . 0 0 "[ . 1]" 1
182 1 12 U H5' 1 12 U H6 3.150 . 4.500 4.056 2.634 4.914 0.414 2 0 "[ . 1]" 1
183 1 5 A H2 1 13 C H1' 3.150 . 4.500 2.869 2.603 3.433 . 0 0 "[ . 1]" 1
184 1 5 A H2 1 13 C H2' 4.500 3.000 6.000 5.096 4.851 5.371 . 0 0 "[ . 1]" 1
185 1 12 U H2' 1 13 C H5 3.150 . 4.500 3.661 2.909 3.830 . 0 0 "[ . 1]" 1
186 1 12 U H3' 1 13 C H5 3.150 . 4.500 3.553 3.105 4.137 . 0 0 "[ . 1]" 1
187 1 12 U H5 1 13 C H5 4.500 3.000 6.000 3.591 3.410 4.392 . 0 0 "[ . 1]" 1
188 1 12 U H6 1 13 C H5 4.500 3.000 6.000 3.838 3.624 4.431 . 0 0 "[ . 1]" 1
189 1 12 U H1' 1 13 C H6 3.150 . 4.500 4.539 4.531 4.548 0.048 3 0 "[ . 1]" 1
190 1 12 U H3' 1 13 C H6 3.150 . 4.500 2.997 2.615 3.806 . 0 0 "[ . 1]" 1
191 1 12 U H2' 1 13 C H6 3.150 . 4.500 2.024 1.953 2.085 . 0 0 "[ . 1]" 1
192 1 13 C H1' 1 13 C H2' 2.400 . 3.000 2.784 2.771 2.807 . 0 0 "[ . 1]" 1
193 1 13 C H1' 1 13 C H3' 3.150 . 4.500 3.765 3.760 3.775 . 0 0 "[ . 1]" 1
194 1 13 C H1' 1 13 C H4' 3.150 . 4.500 3.245 3.131 3.308 . 0 0 "[ . 1]" 1
195 1 13 C H1' 1 13 C H6 3.150 . 4.500 3.598 3.571 3.619 . 0 0 "[ . 1]" 1
196 1 13 C H3' 1 13 C H6 3.150 . 4.500 3.000 2.802 3.108 . 0 0 "[ . 1]" 1
197 1 13 C H2' 1 14 U H5 3.150 . 4.500 3.876 3.763 3.979 . 0 0 "[ . 1]" 1
198 1 13 C H3' 1 14 U H5 3.150 . 4.500 3.778 3.334 4.028 . 0 0 "[ . 1]" 1
199 1 13 C H3' 1 14 U H6 3.150 . 4.500 3.137 2.733 3.359 . 0 0 "[ . 1]" 1
200 1 14 U H1' 1 14 U H2' 2.400 . 3.000 2.775 2.772 2.780 . 0 0 "[ . 1]" 1
201 1 14 U H1' 1 14 U H3' 3.150 . 4.500 3.757 3.752 3.764 . 0 0 "[ . 1]" 1
202 1 14 U H1' 1 14 U H4' 3.150 . 4.500 3.232 3.207 3.267 . 0 0 "[ . 1]" 1
203 1 14 U H1' 1 14 U H6 3.150 . 4.500 3.644 3.618 3.655 . 0 0 "[ . 1]" 1
204 1 14 U H2' 1 14 U H6 3.150 . 4.500 3.853 3.815 3.932 . 0 0 "[ . 1]" 1
205 1 14 U H5' 1 14 U H6 3.150 . 4.500 3.869 3.738 3.952 . 0 0 "[ . 1]" 1
206 1 2 A H2 1 15 U H1' 4.500 3.000 6.000 5.498 5.425 5.538 . 0 0 "[ . 1]" 1
207 1 2 A H2 1 15 U H2' 4.500 3.000 6.000 5.428 5.298 5.495 . 0 0 "[ . 1]" 1
208 1 14 U H2' 1 15 U H1' 3.150 . 4.500 4.062 4.015 4.117 . 0 0 "[ . 1]" 1
209 1 14 U H2' 1 15 U H5 3.150 . 4.500 3.748 3.664 3.817 . 0 0 "[ . 1]" 1
210 1 14 U H3' 1 15 U H5 3.150 . 4.500 4.011 3.919 4.081 . 0 0 "[ . 1]" 1
211 1 14 U H2' 1 15 U H6 2.400 . 3.000 2.177 2.155 2.230 . 0 0 "[ . 1]" 1
212 1 15 U H1' 1 15 U H2' 2.400 . 3.000 2.734 2.731 2.738 . 0 0 "[ . 1]" 1
213 1 15 U H1' 1 15 U H3' 3.150 . 4.500 3.739 3.737 3.741 . 0 0 "[ . 1]" 1
214 1 15 U H1' 1 15 U H4' 3.150 . 4.500 3.249 3.238 3.262 . 0 0 "[ . 1]" 1
215 1 15 U H3' 1 15 U H5 3.150 . 4.500 4.510 4.508 4.512 0.012 5 0 "[ . 1]" 1
216 1 15 U H1' 1 15 U H6 3.150 . 4.500 3.661 3.655 3.663 . 0 0 "[ . 1]" 1
217 1 15 U H2' 1 15 U H6 3.150 . 4.500 3.799 3.782 3.831 . 0 0 "[ . 1]" 1
218 1 15 U H3' 1 15 U H6 3.150 . 4.500 2.625 2.608 2.648 . 0 0 "[ . 1]" 1
219 1 15 U H4' 1 15 U H6 3.150 . 4.500 4.196 4.184 4.205 . 0 0 "[ . 1]" 1
220 1 2 A H2 1 16 C H1' 3.150 . 4.500 2.986 2.775 3.135 . 0 0 "[ . 1]" 1
221 1 2 A H2 1 16 C H2' 5.000 3.000 7.000 5.272 5.110 5.400 . 0 0 "[ . 1]" 1
222 1 15 U H1' 1 16 C H1' 4.500 3.000 6.000 5.364 5.311 5.458 . 0 0 "[ . 1]" 1
223 1 15 U H2' 1 16 C H1' 3.150 . 4.500 4.014 3.988 4.066 . 0 0 "[ . 1]" 1
224 1 15 U H2' 1 16 C H5 3.150 . 4.500 3.778 3.746 3.803 . 0 0 "[ . 1]" 1
225 1 15 U H6 1 16 C H5 4.500 3.000 6.000 4.098 4.049 4.156 . 0 0 "[ . 1]" 1
226 1 15 U H1' 1 16 C H6 3.150 . 4.500 4.543 4.537 4.546 0.046 7 0 "[ . 1]" 1
227 1 15 U H2' 1 16 C H6 2.400 . 3.000 2.023 2.011 2.041 . 0 0 "[ . 1]" 1
228 1 15 U H3' 1 16 C H6 3.150 . 4.500 3.285 3.238 3.361 . 0 0 "[ . 1]" 1
229 1 15 U H6 1 16 C H6 4.500 3.000 6.000 4.578 4.554 4.606 . 0 0 "[ . 1]" 1
230 1 16 C H1' 1 16 C H2' 2.400 . 3.000 2.803 2.799 2.807 . 0 0 "[ . 1]" 1
231 1 16 C H1' 1 16 C H3' 3.150 . 4.500 3.786 3.784 3.789 . 0 0 "[ . 1]" 1
232 1 16 C H1' 1 16 C H4' 3.150 . 4.500 3.228 3.213 3.241 . 0 0 "[ . 1]" 1
233 1 16 C H1' 1 16 C H5' 4.500 3.000 6.000 4.703 4.685 4.714 . 0 0 "[ . 1]" 1
234 1 16 C H1' 1 16 C H6 3.150 . 4.500 3.630 3.619 3.637 . 0 0 "[ . 1]" 1
235 1 16 C H2' 1 16 C H6 3.150 . 4.500 3.874 3.854 3.908 . 0 0 "[ . 1]" 1
236 1 16 C H3' 1 16 C H6 2.400 . 3.000 2.877 2.847 2.939 . 0 0 "[ . 1]" 1
237 1 16 C H4' 1 16 C H6 3.150 . 4.500 4.244 4.236 4.254 . 0 0 "[ . 1]" 1
238 1 16 C H5' 1 16 C H6 3.150 . 4.500 3.907 3.890 3.940 . 0 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 19
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 3 G 0.000 0.000 . 0 "[ . 1]"
1 4 G 0.000 0.000 . 0 "[ . 1]"
1 5 A 0.000 0.000 . 0 "[ . 1]"
1 12 U 0.000 0.000 . 0 "[ . 1]"
1 13 C 0.000 0.000 . 0 "[ . 1]"
1 14 U 0.000 0.000 . 0 "[ . 1]"
1 15 U 0.000 0.000 . 0 "[ . 1]"
1 16 C 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 3 G H1 1 4 G H1 5.000 3.000 7.000 3.955 3.884 4.013 . 0 0 "[ . 1]" 2
2 1 3 G H1 1 4 G H1' 4.000 . 6.000 4.851 4.667 5.011 . 0 0 "[ . 1]" 2
3 1 4 G H1 1 5 A H1' 4.000 . 6.000 4.660 4.479 4.856 . 0 0 "[ . 1]" 2
4 1 4 G H1 1 5 A H2 4.000 . 6.000 4.343 4.120 4.621 . 0 0 "[ . 1]" 2
5 1 4 G H1 1 13 C H1' 4.000 . 6.000 5.057 4.879 5.629 . 0 0 "[ . 1]" 2
6 1 12 U H5 1 13 C H42 5.000 3.000 7.000 3.771 3.456 4.504 . 0 0 "[ . 1]" 2
7 1 3 G H1 1 14 U H1' 4.000 . 6.000 4.612 4.522 4.666 . 0 0 "[ . 1]" 2
8 1 3 G H1 1 14 U H2' 5.000 3.000 7.000 4.645 4.564 4.674 . 0 0 "[ . 1]" 2
9 1 4 G H1 1 14 U H2' 5.000 3.000 7.000 5.903 5.742 6.411 . 0 0 "[ . 1]" 2
10 1 4 G H1 1 14 U H3 4.000 . 6.000 3.571 3.354 3.691 . 0 0 "[ . 1]" 2
11 1 4 G H1' 1 14 U H3 5.000 3.000 7.000 6.431 6.297 6.528 . 0 0 "[ . 1]" 2
12 1 13 C H41 1 14 U H6 4.000 . 6.000 5.798 5.609 5.906 . 0 0 "[ . 1]" 2
13 1 14 U H1' 1 14 U H3 4.000 . 6.000 4.638 4.631 4.655 . 0 0 "[ . 1]" 2
14 1 14 U H2' 1 14 U H3 5.000 3.000 7.000 4.564 4.537 4.580 . 0 0 "[ . 1]" 2
15 1 3 G H1 1 15 U H1' 4.000 . 6.000 3.798 3.705 3.900 . 0 0 "[ . 1]" 2
16 1 14 U H3 1 15 U H1' 5.000 3.000 7.000 4.909 4.791 5.019 . 0 0 "[ . 1]" 2
17 1 14 U H3 1 15 U H6 5.000 3.000 7.000 4.618 4.549 4.656 . 0 0 "[ . 1]" 2
18 1 3 G H1 1 15 U H6 5.000 3.000 7.000 4.826 4.779 4.883 . 0 0 "[ . 1]" 2
19 1 15 U H6 1 16 C H42 5.000 3.000 7.000 5.602 5.544 5.680 . 0 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 15
_Distance_constraint_stats_list.Viol_count 145
_Distance_constraint_stats_list.Viol_total 26.452
_Distance_constraint_stats_list.Viol_max 0.049
_Distance_constraint_stats_list.Viol_rms 0.0091
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0176
_Distance_constraint_stats_list.Viol_average_violations_only 0.0182
_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 0.532 0.030 2 0 "[ . 1]"
1 2 A 0.403 0.031 6 0 "[ . 1]"
1 3 G 0.196 0.019 4 0 "[ . 1]"
1 4 G 0.418 0.033 4 0 "[ . 1]"
1 5 A 0.434 0.044 6 0 "[ . 1]"
1 6 C 0.662 0.049 9 0 "[ . 1]"
1 10 G 0.662 0.049 9 0 "[ . 1]"
1 12 U 0.434 0.044 6 0 "[ . 1]"
1 13 C 0.418 0.033 4 0 "[ . 1]"
1 14 U 0.196 0.019 4 0 "[ . 1]"
1 15 U 0.403 0.031 6 0 "[ . 1]"
1 16 C 0.532 0.030 2 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 C O2 1 10 G H22 1.920 . 2.100 2.109 2.082 2.122 0.022 10 0 "[ . 1]" 3
2 1 6 C N3 1 10 G H1 1.920 . 2.100 2.132 2.120 2.149 0.049 9 0 "[ . 1]" 3
3 1 6 C H41 1 10 G O6 1.920 . 2.100 2.124 2.114 2.130 0.030 6 0 "[ . 1]" 3
4 1 1 G H22 1 16 C O2 1.920 . 2.100 2.117 2.109 2.124 0.024 5 0 "[ . 1]" 3
5 1 1 G H1 1 16 C N3 1.920 . 2.100 2.119 2.112 2.130 0.030 2 0 "[ . 1]" 3
6 1 1 G O6 1 16 C H41 1.920 . 2.100 2.117 2.110 2.122 0.022 5 0 "[ . 1]" 3
7 1 4 G H22 1 13 C O2 1.920 . 2.100 2.112 2.090 2.119 0.019 6 0 "[ . 1]" 3
8 1 4 G H1 1 13 C N3 1.920 . 2.100 2.099 2.032 2.116 0.016 1 0 "[ . 1]" 3
9 1 4 G O6 1 13 C H41 1.920 . 2.100 2.122 2.103 2.133 0.033 4 0 "[ . 1]" 3
10 1 2 A N1 1 15 U H3 1.920 . 2.100 2.118 2.112 2.122 0.022 8 0 "[ . 1]" 3
11 1 2 A H61 1 15 U O4 1.920 . 2.100 2.122 2.115 2.131 0.031 6 0 "[ . 1]" 3
12 1 5 A N1 1 12 U H3 1.920 . 2.100 2.127 2.122 2.144 0.044 6 0 "[ . 1]" 3
13 1 5 A H61 1 12 U O4 1.920 . 2.100 2.116 2.106 2.125 0.025 10 0 "[ . 1]" 3
14 1 3 G O6 1 14 U H3 1.920 . 2.100 2.115 2.108 2.119 0.019 4 0 "[ . 1]" 3
15 1 3 G H1 1 14 U O2 1.920 . 2.100 2.096 2.017 2.114 0.014 2 0 "[ . 1]" 3
stop_
save_