NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
371910 |
1d0t   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1d0t
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 257
_Distance_constraint_stats_list.Viol_count 147
_Distance_constraint_stats_list.Viol_total 38.788
_Distance_constraint_stats_list.Viol_max 0.112
_Distance_constraint_stats_list.Viol_rms 0.0085
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0264
_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 0.000 0.000 . 0 "[ . 1]"
1 2 G 0.040 0.021 6 0 "[ . 1]"
1 3 G 0.597 0.060 9 0 "[ . 1]"
1 4 SRA 0.028 0.007 5 0 "[ . 1]"
1 5 U 0.229 0.025 9 0 "[ . 1]"
1 6 C 0.606 0.041 9 0 "[ . 1]"
1 7 SRA 1.269 0.112 9 0 "[ . 1]"
1 8 C 0.423 0.043 5 0 "[ . 1]"
1 9 C 0.028 0.014 5 0 "[ . 1]"
1 10 SRA 0.203 0.031 9 0 "[ . 1]"
1 11 U 0.991 0.105 4 0 "[ . 1]"
1 12 U 0.056 0.018 5 0 "[ . 1]"
1 13 SRA 0.082 0.018 5 0 "[ . 1]"
1 14 G 0.106 0.023 1 0 "[ . 1]"
1 15 G 0.040 0.023 1 0 "[ . 1]"
1 16 G 0.460 0.111 7 0 "[ . 1]"
1 17 SRA 0.105 0.027 4 0 "[ . 1]"
1 18 U 0.155 0.024 8 0 "[ . 1]"
1 19 C 0.042 0.023 5 0 "[ . 1]"
1 20 U 0.091 0.026 5 0 "[ . 1]"
1 21 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 1 G H1' 1 1 G H8 4.000 . 4.000 3.671 3.593 3.776 . 0 0 "[ . 1]" 1
2 1 1 G H3' 1 1 G H8 4.000 . 4.000 3.290 2.934 3.550 . 0 0 "[ . 1]" 1
3 1 1 G H4' 1 1 G H8 5.000 . 5.000 4.407 4.344 4.447 . 0 0 "[ . 1]" 1
4 1 1 G H5' 1 1 G H8 5.000 . 5.000 3.643 2.484 4.173 . 0 0 "[ . 1]" 1
5 1 1 G H5'' 1 1 G H8 5.000 . 5.000 4.038 2.521 4.593 . 0 0 "[ . 1]" 1
6 1 2 G H1' 1 2 G H8 5.000 . 5.000 3.733 3.659 3.774 . 0 0 "[ . 1]" 1
7 1 2 G H3' 1 2 G H8 5.000 . 5.000 3.001 2.806 3.312 . 0 0 "[ . 1]" 1
8 1 3 G H1' 1 3 G H8 5.000 . 5.000 3.736 3.712 3.772 . 0 0 "[ . 1]" 1
9 1 3 G H3' 1 3 G H8 5.000 . 5.000 3.070 2.855 3.215 . 0 0 "[ . 1]" 1
10 1 4 SRA H1' 1 4 SRA H8 5.000 . 5.000 3.750 3.599 3.797 . 0 0 "[ . 1]" 1
11 1 5 U H1' 1 5 U H6 5.000 . 5.000 3.663 3.609 3.695 . 0 0 "[ . 1]" 1
12 1 5 U H3' 1 5 U H6 5.000 . 5.000 2.489 2.287 2.779 . 0 0 "[ . 1]" 1
13 1 6 C H3' 1 6 C H6 5.000 . 5.000 2.258 2.096 2.380 . 0 0 "[ . 1]" 1
14 1 6 C H4' 1 6 C H6 6.000 . 6.000 4.046 4.025 4.099 . 0 0 "[ . 1]" 1
15 1 6 C H5' 1 6 C H6 6.000 . 6.000 3.497 3.352 3.714 . 0 0 "[ . 1]" 1
16 1 6 C H5'' 1 6 C H6 6.000 . 6.000 3.995 3.921 4.091 . 0 0 "[ . 1]" 1
17 1 7 SRA H1' 1 7 SRA H8 5.000 . 5.000 3.872 3.868 3.876 . 0 0 "[ . 1]" 1
18 1 7 SRA H3' 1 7 SRA H8 4.000 . 4.000 4.061 4.028 4.112 0.112 9 0 "[ . 1]" 1
19 1 7 SRA H4' 1 7 SRA H8 6.000 . 6.000 4.579 4.399 4.639 . 0 0 "[ . 1]" 1
20 1 7 SRA H5' 1 7 SRA H8 5.000 . 5.000 3.813 3.750 3.887 . 0 0 "[ . 1]" 1
21 1 7 SRA H5'' 1 7 SRA H8 5.000 . 5.000 3.801 3.389 3.908 . 0 0 "[ . 1]" 1
22 1 8 C H4' 1 8 C H6 5.000 . 5.000 4.118 4.082 4.168 . 0 0 "[ . 1]" 1
23 1 9 C H1' 1 9 C H6 5.000 . 5.000 3.583 3.486 3.628 . 0 0 "[ . 1]" 1
24 1 9 C H3' 1 9 C H6 5.000 . 5.000 2.867 2.644 3.267 . 0 0 "[ . 1]" 1
25 1 10 SRA H1' 1 10 SRA H8 5.000 . 5.000 3.741 3.700 3.770 . 0 0 "[ . 1]" 1
26 1 10 SRA H3' 1 10 SRA H8 4.000 . 4.000 3.053 2.915 3.241 . 0 0 "[ . 1]" 1
27 1 10 SRA H4' 1 10 SRA H8 5.000 . 5.000 4.359 4.324 4.410 . 0 0 "[ . 1]" 1
28 1 11 U H1' 1 11 U H6 5.000 . 5.000 3.726 3.721 3.728 . 0 0 "[ . 1]" 1
29 1 11 U H3' 1 11 U H6 5.000 . 5.000 3.753 3.712 3.799 . 0 0 "[ . 1]" 1
30 1 11 U H4' 1 11 U H6 5.000 . 5.000 4.245 4.151 4.287 . 0 0 "[ . 1]" 1
31 1 11 U H5' 1 11 U H6 5.000 . 5.000 2.995 1.957 3.245 . 0 0 "[ . 1]" 1
32 1 11 U H5'' 1 11 U H6 5.000 . 5.000 3.720 3.644 3.763 . 0 0 "[ . 1]" 1
33 1 12 U H1' 1 12 U H6 4.000 . 4.000 3.723 3.674 3.740 . 0 0 "[ . 1]" 1
34 1 12 U H3' 1 12 U H6 5.000 . 5.000 3.993 3.770 4.299 . 0 0 "[ . 1]" 1
35 1 12 U H4' 1 12 U H6 5.000 . 5.000 4.200 4.009 4.339 . 0 0 "[ . 1]" 1
36 1 13 SRA H1' 1 13 SRA H8 4.000 . 4.000 3.789 3.689 3.844 . 0 0 "[ . 1]" 1
37 1 13 SRA H3' 1 13 SRA H8 4.000 . 4.000 3.061 2.606 3.575 . 0 0 "[ . 1]" 1
38 1 13 SRA H4' 1 13 SRA H8 5.000 . 5.000 4.300 4.255 4.451 . 0 0 "[ . 1]" 1
39 1 13 SRA H5' 1 13 SRA H8 5.000 . 5.000 3.832 3.617 4.587 . 0 0 "[ . 1]" 1
40 1 13 SRA H5'' 1 13 SRA H8 5.000 . 5.000 2.355 2.143 3.210 . 0 0 "[ . 1]" 1
41 1 14 G H1' 1 14 G H8 5.000 . 5.000 3.714 3.671 3.757 . 0 0 "[ . 1]" 1
42 1 14 G H3' 1 14 G H8 5.000 . 5.000 3.152 3.022 3.282 . 0 0 "[ . 1]" 1
43 1 14 G H4' 1 14 G H8 6.000 . 6.000 4.382 4.352 4.415 . 0 0 "[ . 1]" 1
44 1 14 G H5' 1 14 G H8 5.000 . 5.000 4.176 3.445 4.464 . 0 0 "[ . 1]" 1
45 1 14 G H5'' 1 14 G H8 5.000 . 5.000 2.768 2.549 2.916 . 0 0 "[ . 1]" 1
46 1 15 G H1' 1 15 G H8 5.000 . 5.000 3.675 3.619 3.731 . 0 0 "[ . 1]" 1
47 1 15 G H3' 1 15 G H8 4.000 . 4.000 3.286 3.128 3.439 . 0 0 "[ . 1]" 1
48 1 15 G H5' 1 15 G H8 5.000 . 5.000 4.305 3.878 4.571 . 0 0 "[ . 1]" 1
49 1 15 G H5'' 1 15 G H8 5.000 . 5.000 3.521 2.801 4.482 . 0 0 "[ . 1]" 1
50 1 16 G H1' 1 16 G H8 5.000 . 5.000 3.752 3.642 3.796 . 0 0 "[ . 1]" 1
51 1 16 G H3' 1 16 G H8 5.000 . 5.000 2.976 2.710 3.423 . 0 0 "[ . 1]" 1
52 1 17 SRA H1' 1 17 SRA H8 5.000 . 5.000 3.764 3.631 3.823 . 0 0 "[ . 1]" 1
53 1 17 SRA H3' 1 17 SRA H8 4.000 . 4.000 2.961 2.617 3.480 . 0 0 "[ . 1]" 1
54 1 18 U H1' 1 18 U H6 5.000 . 5.000 3.650 3.445 3.690 . 0 0 "[ . 1]" 1
55 1 18 U H3' 1 18 U H6 5.000 . 5.000 2.537 2.340 3.360 . 0 0 "[ . 1]" 1
56 1 18 U H5' 1 18 U H6 6.000 . 6.000 3.680 3.445 4.348 . 0 0 "[ . 1]" 1
57 1 18 U H5'' 1 18 U H6 6.000 . 6.000 3.820 2.834 3.996 . 0 0 "[ . 1]" 1
58 1 19 C H1' 1 19 C H6 5.000 . 5.000 3.632 3.528 3.680 . 0 0 "[ . 1]" 1
59 1 19 C H3' 1 19 C H6 4.000 . 4.000 2.601 2.385 3.054 . 0 0 "[ . 1]" 1
60 1 19 C H5' 1 19 C H6 6.000 . 6.000 3.645 3.340 4.082 . 0 0 "[ . 1]" 1
61 1 20 U H1' 1 20 U H6 5.000 . 5.000 3.636 3.569 3.677 . 0 0 "[ . 1]" 1
62 1 20 U H3' 1 20 U H6 4.000 . 4.000 2.617 2.425 2.844 . 0 0 "[ . 1]" 1
63 1 20 U H4' 1 20 U H6 5.000 . 5.000 4.045 3.997 4.074 . 0 0 "[ . 1]" 1
64 1 21 C H1' 1 21 C H6 4.000 . 4.000 3.662 3.606 3.695 . 0 0 "[ . 1]" 1
65 1 5 U H3' 1 5 U H5 7.000 . 7.000 4.466 4.354 4.647 . 0 0 "[ . 1]" 1
66 1 6 C H1' 1 6 C H5 7.000 . 7.000 5.420 5.408 5.434 . 0 0 "[ . 1]" 1
67 1 6 C H3' 1 6 C H5 6.000 . 6.000 4.371 4.309 4.449 . 0 0 "[ . 1]" 1
68 1 9 C H3' 1 9 C H5 7.000 . 7.000 4.694 4.528 4.988 . 0 0 "[ . 1]" 1
69 1 11 U H1' 1 11 U H5 7.000 . 7.000 5.434 5.429 5.437 . 0 0 "[ . 1]" 1
70 1 11 U H3' 1 11 U H5 6.000 . 6.000 6.082 6.066 6.105 0.105 4 0 "[ . 1]" 1
71 1 18 U H1' 1 18 U H5 6.000 . 6.000 5.387 5.252 5.417 . 0 0 "[ . 1]" 1
72 1 18 U H3' 1 18 U H5 6.000 . 6.000 4.497 4.377 4.986 . 0 0 "[ . 1]" 1
73 1 7 SRA H1' 1 7 SRA H2 7.000 . 7.000 4.520 4.513 4.528 . 0 0 "[ . 1]" 1
74 1 10 SRA H1' 1 10 SRA H2 6.000 . 6.000 4.744 4.698 4.812 . 0 0 "[ . 1]" 1
75 1 13 SRA H1' 1 13 SRA H2 7.000 . 7.000 4.667 4.585 4.828 . 0 0 "[ . 1]" 1
76 1 17 SRA H1' 1 17 SRA H2 6.000 . 6.000 4.712 4.616 4.920 . 0 0 "[ . 1]" 1
77 1 1 G H1' 1 2 G H8 5.000 . 5.000 4.623 4.483 4.808 . 0 0 "[ . 1]" 1
78 1 1 G H3' 1 2 G H8 5.000 . 5.000 3.462 3.106 3.826 . 0 0 "[ . 1]" 1
79 1 2 G H1' 1 3 G H8 5.000 . 5.000 4.507 4.451 4.668 . 0 0 "[ . 1]" 1
80 1 2 G H3' 1 3 G H8 5.000 . 5.000 2.772 2.391 2.930 . 0 0 "[ . 1]" 1
81 1 3 G H1' 1 4 SRA H8 5.000 . 5.000 4.734 4.627 4.824 . 0 0 "[ . 1]" 1
82 1 3 G H3' 1 4 SRA H8 5.000 . 5.000 2.970 2.756 3.413 . 0 0 "[ . 1]" 1
83 1 4 SRA H1' 1 5 U H6 5.000 . 5.000 4.818 4.745 4.915 . 0 0 "[ . 1]" 1
84 1 5 U H1' 1 6 C H6 5.000 . 5.000 4.947 4.794 5.019 0.019 8 0 "[ . 1]" 1
85 1 5 U H3' 1 6 C H6 5.000 . 5.000 3.513 3.325 3.894 . 0 0 "[ . 1]" 1
86 1 6 C H1' 1 7 SRA H8 6.000 . 6.000 6.029 6.012 6.041 0.041 9 0 "[ . 1]" 1
87 1 6 C H3' 1 7 SRA H8 7.000 3.000 7.000 3.095 2.976 3.513 0.024 10 0 "[ . 1]" 1
88 1 6 C H1' 1 8 C H6 5.000 . 5.000 4.763 3.973 5.025 0.025 4 0 "[ . 1]" 1
89 1 6 C H3' 1 8 C H6 7.000 . 7.000 6.230 5.902 6.343 . 0 0 "[ . 1]" 1
90 1 7 SRA H1' 1 8 C H6 7.000 3.000 7.000 3.467 3.280 3.558 . 0 0 "[ . 1]" 1
91 1 7 SRA H3' 1 8 C H6 6.000 . 6.000 5.468 5.337 5.626 . 0 0 "[ . 1]" 1
92 1 9 C H1' 1 10 SRA H8 5.000 . 5.000 4.774 4.634 4.862 . 0 0 "[ . 1]" 1
93 1 9 C H3' 1 10 SRA H8 4.000 . 4.000 2.051 1.957 2.176 . 0 0 "[ . 1]" 1
94 1 10 SRA H1' 1 11 U H6 5.000 . 5.000 5.014 4.973 5.031 0.031 9 0 "[ . 1]" 1
95 1 10 SRA H3' 1 11 U H6 5.000 . 5.000 2.877 2.383 3.226 . 0 0 "[ . 1]" 1
96 1 11 U H1' 1 12 U H6 5.000 . 5.000 3.957 3.293 4.907 . 0 0 "[ . 1]" 1
97 1 11 U H4' 1 12 U H6 7.000 . 7.000 5.145 3.438 6.832 . 0 0 "[ . 1]" 1
98 1 12 U H6 1 13 SRA H1' 7.000 . 7.000 6.565 5.889 7.003 0.003 8 0 "[ . 1]" 1
99 1 11 U H1' 1 13 SRA H8 7.000 . 7.000 6.039 4.931 6.961 . 0 0 "[ . 1]" 1
100 1 11 U H4' 1 13 SRA H8 7.000 . 7.000 5.958 4.706 7.002 0.002 4 0 "[ . 1]" 1
101 1 12 U H1' 1 13 SRA H8 7.000 . 7.000 2.428 2.228 2.884 . 0 0 "[ . 1]" 1
102 1 12 U H3' 1 13 SRA H8 5.000 . 5.000 4.735 4.109 5.014 0.014 4 0 "[ . 1]" 1
103 1 12 U H4' 1 13 SRA H8 5.000 . 5.000 3.497 2.991 3.883 . 0 0 "[ . 1]" 1
104 1 12 U H5' 1 13 SRA H8 7.000 . 7.000 5.724 5.220 6.082 . 0 0 "[ . 1]" 1
105 1 12 U H5'' 1 13 SRA H8 7.000 . 7.000 5.590 5.365 5.867 . 0 0 "[ . 1]" 1
106 1 13 SRA H8 1 14 G H1' 7.000 . 7.000 6.435 5.945 6.894 . 0 0 "[ . 1]" 1
107 1 13 SRA H1' 1 14 G H8 6.000 . 6.000 5.526 5.300 6.015 0.015 7 0 "[ . 1]" 1
108 1 14 G H1' 1 15 G H8 5.000 . 5.000 4.679 4.575 4.900 . 0 0 "[ . 1]" 1
109 1 14 G H3' 1 15 G H8 5.000 . 5.000 3.306 2.815 3.634 . 0 0 "[ . 1]" 1
110 1 15 G H1' 1 16 G H8 5.000 . 5.000 4.653 4.572 4.743 . 0 0 "[ . 1]" 1
111 1 15 G H3' 1 16 G H8 5.000 . 5.000 2.982 2.710 3.258 . 0 0 "[ . 1]" 1
112 1 16 G H1' 1 17 SRA H8 5.000 . 5.000 4.774 4.702 4.864 . 0 0 "[ . 1]" 1
113 1 16 G H3' 1 17 SRA H8 4.000 . 4.000 3.030 2.752 3.293 . 0 0 "[ . 1]" 1
114 1 17 SRA H1' 1 18 U H6 5.000 . 5.000 4.885 4.803 5.008 0.008 2 0 "[ . 1]" 1
115 1 17 SRA H3' 1 18 U H6 5.000 . 5.000 3.107 2.729 3.417 . 0 0 "[ . 1]" 1
116 1 18 U H1' 1 19 C H6 5.000 . 5.000 4.824 4.742 5.003 0.003 7 0 "[ . 1]" 1
117 1 18 U H3' 1 19 C H6 5.000 . 5.000 3.297 2.731 3.523 . 0 0 "[ . 1]" 1
118 1 19 C H1' 1 20 U H6 5.000 . 5.000 4.777 4.641 4.941 . 0 0 "[ . 1]" 1
119 1 19 C H3' 1 20 U H6 4.000 . 4.000 3.251 2.902 3.583 . 0 0 "[ . 1]" 1
120 1 20 U H1' 1 21 C H6 7.000 . 7.000 4.776 4.623 4.947 . 0 0 "[ . 1]" 1
121 1 20 U H3' 1 21 C H6 5.000 . 5.000 3.336 2.739 3.742 . 0 0 "[ . 1]" 1
122 1 4 SRA H1' 1 5 U H5 7.000 . 7.000 5.519 5.311 6.028 . 0 0 "[ . 1]" 1
123 1 5 U H3' 1 6 C H5 6.000 . 6.000 3.629 3.407 4.036 . 0 0 "[ . 1]" 1
124 1 6 C H1' 1 8 C H5 6.000 . 6.000 4.091 3.643 4.694 . 0 0 "[ . 1]" 1
125 1 6 C H2' 1 8 C H5 5.000 . 5.000 2.858 2.396 3.583 . 0 0 "[ . 1]" 1
126 1 6 C H3' 1 8 C H5 7.000 . 7.000 4.892 4.524 5.390 . 0 0 "[ . 1]" 1
127 1 7 SRA H1' 1 8 C H5 7.000 3.000 7.000 2.971 2.957 2.984 0.043 5 0 "[ . 1]" 1
128 1 8 C H3' 1 9 C H5 6.000 . 6.000 3.093 2.614 4.060 . 0 0 "[ . 1]" 1
129 1 10 SRA H1' 1 11 U H5 7.000 . 7.000 5.098 4.604 5.448 . 0 0 "[ . 1]" 1
130 1 10 SRA H3' 1 11 U H5 5.000 . 5.000 2.605 2.138 3.333 . 0 0 "[ . 1]" 1
131 1 17 SRA H1' 1 18 U H5 6.000 . 6.000 5.741 5.560 6.000 . 0 0 "[ . 1]" 1
132 1 19 C H3' 1 20 U H5 6.000 . 6.000 3.582 3.157 4.289 . 0 0 "[ . 1]" 1
133 1 4 SRA H2 1 5 U H1' 5.000 . 5.000 3.793 2.478 4.410 . 0 0 "[ . 1]" 1
134 1 10 SRA H2 1 14 G H1' 7.000 . 7.000 6.471 5.851 6.825 . 0 0 "[ . 1]" 1
135 1 10 SRA H1' 1 13 SRA H2 7.000 . 7.000 3.929 2.973 4.680 . 0 0 "[ . 1]" 1
136 1 11 U H4' 1 13 SRA H2 5.000 . 5.000 3.617 2.826 4.865 . 0 0 "[ . 1]" 1
137 1 11 U H5' 1 13 SRA H2 5.000 . 5.000 3.215 2.577 3.841 . 0 0 "[ . 1]" 1
138 1 11 U H5'' 1 13 SRA H2 5.000 . 5.000 4.343 3.129 5.000 0.000 9 0 "[ . 1]" 1
139 1 12 U H4' 1 13 SRA H2 7.000 . 7.000 6.711 6.292 7.018 0.018 5 0 "[ . 1]" 1
140 1 13 SRA H2 1 14 G H1' 4.000 . 4.000 3.482 3.170 3.878 . 0 0 "[ . 1]" 1
141 1 17 SRA H2 1 18 U H1' 4.000 . 4.000 3.497 3.050 3.789 . 0 0 "[ . 1]" 1
142 1 1 G H8 1 2 G H8 6.000 . 6.000 5.287 4.489 5.605 . 0 0 "[ . 1]" 1
143 1 2 G H8 1 3 G H8 6.000 . 6.000 4.223 4.052 4.635 . 0 0 "[ . 1]" 1
144 1 3 G H8 1 4 SRA H8 6.000 . 6.000 4.689 4.264 5.061 . 0 0 "[ . 1]" 1
145 1 6 C H6 1 7 SRA H8 7.000 . 7.000 4.637 4.448 4.950 . 0 0 "[ . 1]" 1
146 1 7 SRA H8 1 8 C H6 7.000 . 7.000 5.993 5.669 6.141 . 0 0 "[ . 1]" 1
147 1 9 C H6 1 10 SRA H8 6.000 . 6.000 3.847 3.531 4.177 . 0 0 "[ . 1]" 1
148 1 10 SRA H8 1 11 U H6 6.000 . 6.000 5.062 4.389 5.222 . 0 0 "[ . 1]" 1
149 1 12 U H6 1 13 SRA H8 6.000 . 6.000 5.664 5.326 5.877 . 0 0 "[ . 1]" 1
150 1 13 SRA H8 1 14 G H8 6.000 . 6.000 5.042 4.583 5.933 . 0 0 "[ . 1]" 1
151 1 14 G H8 1 15 G H8 6.000 . 6.000 4.920 4.729 5.187 . 0 0 "[ . 1]" 1
152 1 15 G H8 1 16 G H8 6.000 . 6.000 4.696 4.422 4.900 . 0 0 "[ . 1]" 1
153 1 16 G H8 1 17 SRA H8 6.000 . 6.000 4.696 4.019 5.045 . 0 0 "[ . 1]" 1
154 1 17 SRA H8 1 18 U H6 6.000 . 6.000 4.861 4.535 5.249 . 0 0 "[ . 1]" 1
155 1 19 C H6 1 20 U H6 6.000 . 6.000 4.718 4.457 5.155 . 0 0 "[ . 1]" 1
156 1 17 SRA H2 1 18 U H5 7.000 . 7.000 6.313 5.779 6.754 . 0 0 "[ . 1]" 1
157 1 4 SRA H8 1 5 U H5 6.000 . 6.000 4.359 3.999 5.165 . 0 0 "[ . 1]" 1
158 1 5 U H5 1 6 C H5 6.000 . 6.000 3.761 3.257 4.856 . 0 0 "[ . 1]" 1
159 1 5 U H6 1 6 C H5 7.000 . 7.000 3.897 3.488 4.803 . 0 0 "[ . 1]" 1
160 1 8 C H5 1 9 C H5 6.000 . 6.000 4.434 3.777 5.115 . 0 0 "[ . 1]" 1
161 1 9 C H5 1 10 SRA H8 5.000 . 5.000 4.691 4.313 5.014 0.014 7 0 "[ . 1]" 1
162 1 10 SRA H8 1 11 U H5 5.000 . 5.000 3.474 2.553 3.886 . 0 0 "[ . 1]" 1
163 1 17 SRA H8 1 18 U H5 6.000 . 6.000 3.975 3.609 4.706 . 0 0 "[ . 1]" 1
164 1 18 U H5 1 19 C H6 6.000 . 6.000 5.639 5.004 6.017 0.017 2 0 "[ . 1]" 1
165 1 19 C H6 1 20 U H5 6.000 . 6.000 3.990 3.824 4.270 . 0 0 "[ . 1]" 1
166 1 11 U H4' 1 12 U H4' 7.000 . 7.000 4.721 3.450 5.658 . 0 0 "[ . 1]" 1
167 1 11 U H4' 1 12 U H5' 7.000 . 7.000 5.630 4.354 6.330 . 0 0 "[ . 1]" 1
168 1 11 U H4' 1 12 U H5'' 7.000 . 7.000 5.198 4.156 6.816 . 0 0 "[ . 1]" 1
169 1 13 SRA H1' 1 14 G H1' 6.000 . 6.000 4.430 3.939 4.871 . 0 0 "[ . 1]" 1
170 1 14 G H1' 1 15 G H1' 6.000 . 6.000 5.787 5.333 6.023 0.023 1 0 "[ . 1]" 1
171 1 17 SRA H1' 1 18 U H1' 7.000 . 7.000 5.353 4.909 5.803 . 0 0 "[ . 1]" 1
172 1 2 G H1 1 2 G H1' 7.000 . 7.000 6.075 6.032 6.164 . 0 0 "[ . 1]" 1
173 1 2 G H1 1 3 G H1 6.000 . 6.000 4.275 4.106 4.524 . 0 0 "[ . 1]" 1
174 1 2 G H1 1 3 G H8 6.000 . 6.000 5.437 5.121 5.562 . 0 0 "[ . 1]" 1
175 1 2 G H1 1 3 G H1' 6.000 . 6.000 4.277 3.993 4.622 . 0 0 "[ . 1]" 1
176 1 2 G H1 1 20 U H3 3.000 . 3.000 2.229 2.162 2.306 . 0 0 "[ . 1]" 1
177 1 2 G H1 1 21 C H5 6.000 . 6.000 5.171 4.628 5.628 . 0 0 "[ . 1]" 1
178 1 2 G H1 1 21 C H6 6.000 . 6.000 4.919 4.549 5.363 . 0 0 "[ . 1]" 1
179 1 3 G H1 1 3 G H1' 6.000 . 6.000 6.043 6.023 6.060 0.060 9 0 "[ . 1]" 1
180 1 3 G H1 1 4 SRA H8 6.000 . 6.000 5.803 5.270 6.007 0.007 5 0 "[ . 1]" 1
181 1 3 G H1 1 4 SRA H1' 6.000 . 6.000 4.853 4.381 5.254 . 0 0 "[ . 1]" 1
182 1 3 G H1 1 18 U H3 6.000 . 6.000 4.353 4.031 4.749 . 0 0 "[ . 1]" 1
183 1 3 G H1 1 20 U H3 6.000 . 6.000 3.056 2.746 3.549 . 0 0 "[ . 1]" 1
184 1 3 G H1 1 20 U H6 6.000 . 6.000 5.392 5.090 5.671 . 0 0 "[ . 1]" 1
185 1 3 G H1 1 20 U H1' 6.000 . 6.000 4.771 4.256 5.382 . 0 0 "[ . 1]" 1
186 1 5 U H1' 1 5 U H3 6.000 . 6.000 4.528 4.503 4.567 . 0 0 "[ . 1]" 1
187 1 5 U H3 1 6 C H5 6.000 . 6.000 4.569 4.301 4.856 . 0 0 "[ . 1]" 1
188 1 5 U H3 1 6 C H1' 6.000 . 6.000 5.799 5.265 6.025 0.025 9 0 "[ . 1]" 1
189 1 5 U H3 1 16 G H1 6.000 . 6.000 4.251 3.934 4.797 . 0 0 "[ . 1]" 1
190 1 5 U H3 1 17 SRA H2 3.000 . 3.000 2.942 2.706 3.018 0.018 2 0 "[ . 1]" 1
191 1 5 U H3 1 18 U H3 5.000 . 5.000 2.790 2.502 3.254 . 0 0 "[ . 1]" 1
192 1 9 C H5 1 14 G H1 6.000 . 6.000 4.921 4.829 5.053 . 0 0 "[ . 1]" 1
193 1 9 C H1' 1 14 G H1 6.000 . 6.000 5.847 5.611 6.014 0.014 5 0 "[ . 1]" 1
194 1 10 SRA H2 1 14 G H1 6.000 . 6.000 3.338 2.991 3.794 . 0 0 "[ . 1]" 1
195 1 10 SRA H8 1 14 G H1 6.000 . 6.000 5.741 5.373 6.019 0.019 9 0 "[ . 1]" 1
196 1 10 SRA H1' 1 14 G H1 6.000 . 6.000 3.435 3.178 3.782 . 0 0 "[ . 1]" 1
197 1 13 SRA H2 1 14 G H1 6.000 . 6.000 4.974 4.413 5.770 . 0 0 "[ . 1]" 1
198 1 14 G H1 1 15 G H1 6.000 . 6.000 3.621 3.398 3.770 . 0 0 "[ . 1]" 1
199 1 14 G H1 1 15 G H8 6.000 . 6.000 5.302 5.075 5.549 . 0 0 "[ . 1]" 1
200 1 14 G H1 1 15 G H1' 6.000 . 6.000 5.485 4.720 5.881 . 0 0 "[ . 1]" 1
201 1 7 SRA H2 1 15 G H1 6.000 . 6.000 4.337 3.890 4.542 . 0 0 "[ . 1]" 1
202 1 9 C H5 1 15 G H1 6.000 . 6.000 4.390 3.933 5.217 . 0 0 "[ . 1]" 1
203 1 9 C H1' 1 15 G H1 6.000 . 6.000 5.260 4.919 5.814 . 0 0 "[ . 1]" 1
204 1 15 G H1 1 16 G H1 6.000 . 6.000 4.204 3.667 4.641 . 0 0 "[ . 1]" 1
205 1 15 G H1 1 16 G H8 6.000 . 6.000 5.156 4.927 5.330 . 0 0 "[ . 1]" 1
206 1 15 G H1 1 16 G H1' 6.000 . 6.000 4.535 4.139 5.165 . 0 0 "[ . 1]" 1
207 1 6 C H5 1 16 G H1 6.000 . 6.000 5.261 5.097 5.382 . 0 0 "[ . 1]" 1
208 1 8 C H6 1 16 G H1 6.000 . 6.000 5.192 4.708 5.531 . 0 0 "[ . 1]" 1
209 1 16 G H1 1 16 G H1' 6.000 . 6.000 6.035 6.010 6.111 0.111 7 0 "[ . 1]" 1
210 1 16 G H1 1 17 SRA H2 5.000 . 5.000 3.310 3.130 3.765 . 0 0 "[ . 1]" 1
211 1 16 G H1 1 17 SRA H8 6.000 . 6.000 5.913 5.650 6.027 0.027 4 0 "[ . 1]" 1
212 1 16 G H1 1 17 SRA H1' 6.000 . 6.000 4.896 4.302 5.264 . 0 0 "[ . 1]" 1
213 1 4 SRA H2 1 18 U H3 3.000 . 3.000 2.870 2.583 3.005 0.005 8 0 "[ . 1]" 1
214 1 5 U H5 1 18 U H3 6.000 . 6.000 5.984 5.749 6.024 0.024 8 0 "[ . 1]" 1
215 1 3 G H1' 1 20 U H3 6.000 . 6.000 5.966 5.673 6.026 0.026 5 0 "[ . 1]" 1
216 1 20 U H3 1 21 C H5 5.000 . 5.000 4.487 4.032 4.897 . 0 0 "[ . 1]" 1
217 1 20 U H3 1 21 C H6 6.000 . 6.000 5.248 4.745 5.613 . 0 0 "[ . 1]" 1
218 1 2 G H21 1 3 G H8 6.000 . 6.000 5.881 5.405 6.021 0.021 6 0 "[ . 1]" 1
219 1 2 G H21 1 20 U H3 5.000 . 5.000 4.326 4.258 4.404 . 0 0 "[ . 1]" 1
220 1 2 G H21 1 21 C H6 6.000 . 6.000 5.070 4.523 5.734 . 0 0 "[ . 1]" 1
221 1 2 G H21 1 21 C H1' 5.000 . 5.000 2.757 2.170 3.207 . 0 0 "[ . 1]" 1
222 1 3 G H22 1 4 SRA H1' 6.000 . 6.000 2.903 2.330 3.581 . 0 0 "[ . 1]" 1
223 1 3 G H21 1 4 SRA H1' 6.000 . 6.000 3.758 3.311 4.265 . 0 0 "[ . 1]" 1
224 1 3 G H22 1 20 U H1' 6.000 . 6.000 2.936 2.142 3.297 . 0 0 "[ . 1]" 1
225 1 3 G H21 1 20 U H1' 6.000 . 6.000 3.101 2.626 3.630 . 0 0 "[ . 1]" 1
226 1 5 U H3 1 6 C H42 5.000 . 5.000 4.197 3.508 4.483 . 0 0 "[ . 1]" 1
227 1 5 U H3 1 6 C H41 5.000 . 5.000 3.949 3.029 4.219 . 0 0 "[ . 1]" 1
228 1 5 U H5 1 6 C H41 6.000 . 6.000 4.717 4.215 5.669 . 0 0 "[ . 1]" 1
229 1 5 U H6 1 6 C H42 6.000 . 6.000 4.938 4.591 5.655 . 0 0 "[ . 1]" 1
230 1 6 C H42 1 8 C H42 6.000 . 6.000 3.412 3.107 3.677 . 0 0 "[ . 1]" 1
231 1 6 C H41 1 8 C H42 6.000 . 6.000 2.623 2.001 3.205 . 0 0 "[ . 1]" 1
232 1 6 C H41 1 8 C H41 6.000 . 6.000 2.776 2.447 3.222 . 0 0 "[ . 1]" 1
233 1 6 C H41 1 8 C H5 6.000 . 6.000 4.710 3.947 5.064 . 0 0 "[ . 1]" 1
234 1 6 C H41 1 8 C H6 7.000 . 7.000 6.878 6.225 7.025 0.025 9 0 "[ . 1]" 1
235 1 6 C H41 1 15 G H1 6.000 . 6.000 5.031 4.465 5.498 . 0 0 "[ . 1]" 1
236 1 6 C H42 1 16 G H1 5.000 . 5.000 4.277 4.059 4.497 . 0 0 "[ . 1]" 1
237 1 6 C H41 1 16 G H1 3.000 . 3.000 2.765 2.503 3.022 0.022 4 0 "[ . 1]" 1
238 1 6 C H5 1 8 C H42 7.000 . 7.000 4.166 3.804 4.526 . 0 0 "[ . 1]" 1
239 1 8 C H41 1 9 C H42 6.000 . 6.000 3.199 2.655 4.174 . 0 0 "[ . 1]" 1
240 1 8 C H41 1 9 C H41 6.000 . 6.000 2.972 2.682 3.892 . 0 0 "[ . 1]" 1
241 1 8 C H42 1 9 C H41 6.000 . 6.000 3.901 3.475 4.741 . 0 0 "[ . 1]" 1
242 1 8 C H42 1 14 G H1 6.000 . 6.000 5.649 5.252 6.019 0.019 9 0 "[ . 1]" 1
243 1 8 C H41 1 14 G H1 6.000 . 6.000 4.346 3.911 4.747 . 0 0 "[ . 1]" 1
244 1 8 C H42 1 15 G H1 5.000 . 5.000 4.003 3.642 4.428 . 0 0 "[ . 1]" 1
245 1 8 C H41 1 15 G H1 3.000 . 3.000 2.520 2.080 3.009 0.009 4 0 "[ . 1]" 1
246 1 8 C H42 1 16 G H1 6.000 . 6.000 2.870 2.670 3.497 . 0 0 "[ . 1]" 1
247 1 8 C H41 1 16 G H1 6.000 . 6.000 2.877 2.642 3.124 . 0 0 "[ . 1]" 1
248 1 9 C H42 1 10 SRA H2 6.000 . 6.000 4.167 3.874 4.542 . 0 0 "[ . 1]" 1
249 1 9 C H42 1 14 G H1 5.000 . 5.000 3.608 3.470 3.783 . 0 0 "[ . 1]" 1
250 1 9 C H41 1 14 G H1 3.000 . 3.000 2.006 1.823 2.229 . 0 0 "[ . 1]" 1
251 1 9 C H42 1 15 G H1 6.000 . 6.000 3.766 3.425 4.657 . 0 0 "[ . 1]" 1
252 1 9 C H41 1 15 G H1 6.000 . 6.000 3.173 3.003 3.746 . 0 0 "[ . 1]" 1
253 1 18 U H3 1 19 C H42 5.000 . 5.000 3.978 2.911 4.710 . 0 0 "[ . 1]" 1
254 1 18 U H3 1 19 C H41 5.000 . 5.000 3.801 3.055 4.728 . 0 0 "[ . 1]" 1
255 1 18 U H6 1 19 C H42 6.000 . 6.000 4.861 4.516 5.556 . 0 0 "[ . 1]" 1
256 1 3 G H1 1 19 C H42 5.000 . 5.000 3.905 3.454 4.453 . 0 0 "[ . 1]" 1
257 1 3 G H1 1 19 C H41 3.000 . 3.000 2.384 1.895 3.023 0.023 5 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 40
_Distance_constraint_stats_list.Viol_count 12
_Distance_constraint_stats_list.Viol_total 1.084
_Distance_constraint_stats_list.Viol_max 0.031
_Distance_constraint_stats_list.Viol_rms 0.0021
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0090
_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 0.017 0.017 10 0 "[ . 1]"
1 2 G 0.044 0.031 8 0 "[ . 1]"
1 3 G 0.005 0.004 7 0 "[ . 1]"
1 4 SRA 0.000 0.000 . 0 "[ . 1]"
1 5 U 0.000 0.000 . 0 "[ . 1]"
1 6 C 0.000 0.000 . 0 "[ . 1]"
1 8 C 0.018 0.005 7 0 "[ . 1]"
1 9 C 0.024 0.016 5 0 "[ . 1]"
1 14 G 0.024 0.016 5 0 "[ . 1]"
1 15 G 0.018 0.005 7 0 "[ . 1]"
1 16 G 0.000 0.000 . 0 "[ . 1]"
1 17 SRA 0.000 0.000 . 0 "[ . 1]"
1 18 U 0.000 0.000 . 0 "[ . 1]"
1 19 C 0.005 0.004 7 0 "[ . 1]"
1 20 U 0.044 0.031 8 0 "[ . 1]"
1 21 C 0.017 0.017 10 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 O6 1 21 C H41 2.000 . 2.500 2.041 1.817 2.259 . 0 0 "[ . 1]" 2
2 1 1 G O6 1 21 C N4 2.900 2.600 3.600 2.958 2.822 3.072 . 0 0 "[ . 1]" 2
3 1 1 G H1 1 21 C N3 2.000 . 2.500 2.098 1.842 2.399 . 0 0 "[ . 1]" 2
4 1 1 G N1 1 21 C N3 2.900 2.600 3.600 3.034 2.850 3.212 . 0 0 "[ . 1]" 2
5 1 1 G H21 1 21 C O2 2.000 . 2.500 2.123 1.880 2.517 0.017 10 0 "[ . 1]" 2
6 1 1 G N2 1 21 C O2 2.900 2.600 3.600 3.073 2.825 3.365 . 0 0 "[ . 1]" 2
7 1 2 G O6 1 20 U H3 2.000 . 2.500 1.848 1.769 2.035 0.031 8 0 "[ . 1]" 2
8 1 2 G O6 1 20 U N3 2.900 2.600 3.600 2.818 2.716 3.038 . 0 0 "[ . 1]" 2
9 1 2 G H1 1 20 U O2 2.000 . 2.500 2.112 1.844 2.497 . 0 0 "[ . 1]" 2
10 1 2 G N1 1 20 U O2 2.900 2.600 3.600 3.088 2.832 3.447 . 0 0 "[ . 1]" 2
11 1 3 G O6 1 19 C H41 2.000 . 2.500 1.957 1.796 2.220 0.004 7 0 "[ . 1]" 2
12 1 3 G O6 1 19 C N4 2.900 2.600 3.600 2.942 2.744 3.178 . 0 0 "[ . 1]" 2
13 1 3 G H1 1 19 C N3 2.000 . 2.500 1.915 1.860 1.991 . 0 0 "[ . 1]" 2
14 1 3 G N1 1 19 C N3 2.900 2.600 3.600 2.903 2.867 2.951 . 0 0 "[ . 1]" 2
15 1 3 G H21 1 19 C O2 2.000 . 2.500 1.874 1.799 2.103 0.001 9 0 "[ . 1]" 2
16 1 3 G N2 1 19 C O2 2.900 2.600 3.600 2.837 2.759 3.024 . 0 0 "[ . 1]" 2
17 1 4 SRA N6 1 18 U O4 2.900 2.600 3.600 3.159 2.719 3.450 . 0 0 "[ . 1]" 2
18 1 4 SRA N1 1 18 U H3 2.000 . 2.500 1.935 1.818 2.104 . 0 0 "[ . 1]" 2
19 1 4 SRA N1 1 18 U N3 2.900 2.600 3.600 2.873 2.753 3.008 . 0 0 "[ . 1]" 2
20 1 5 U O4 1 17 SRA N6 2.900 2.600 3.600 2.846 2.736 2.992 . 0 0 "[ . 1]" 2
21 1 5 U H3 1 17 SRA N1 2.000 . 2.500 1.906 1.805 2.014 . 0 0 "[ . 1]" 2
22 1 5 U N3 1 17 SRA N1 2.900 2.600 3.600 2.853 2.772 2.954 . 0 0 "[ . 1]" 2
23 1 6 C H41 1 16 G O6 2.000 . 2.500 2.007 1.834 2.214 . 0 0 "[ . 1]" 2
24 1 6 C N4 1 16 G O6 2.900 2.600 3.600 2.967 2.826 3.156 . 0 0 "[ . 1]" 2
25 1 6 C N3 1 16 G H1 2.000 . 2.500 2.084 2.001 2.202 . 0 0 "[ . 1]" 2
26 1 6 C N3 1 16 G N1 2.900 2.600 3.600 3.071 2.977 3.201 . 0 0 "[ . 1]" 2
27 1 6 C O2 1 16 G H21 2.000 . 2.500 2.121 1.820 2.431 . 0 0 "[ . 1]" 2
28 1 6 C O2 1 16 G N2 2.900 2.600 3.600 3.114 2.807 3.432 . 0 0 "[ . 1]" 2
29 1 8 C H41 1 15 G O6 2.000 . 2.500 1.857 1.795 1.993 0.005 5 0 "[ . 1]" 2
30 1 8 C N4 1 15 G O6 2.900 2.600 3.600 2.829 2.735 2.977 . 0 0 "[ . 1]" 2
31 1 8 C N3 1 15 G H1 2.000 . 2.500 1.885 1.835 1.963 . 0 0 "[ . 1]" 2
32 1 8 C N3 1 15 G N1 2.900 2.600 3.600 2.864 2.813 2.920 . 0 0 "[ . 1]" 2
33 1 8 C O2 1 15 G H21 2.000 . 2.500 1.813 1.795 1.864 0.005 7 0 "[ . 1]" 2
34 1 8 C O2 1 15 G N2 2.900 2.600 3.600 2.790 2.732 2.855 . 0 0 "[ . 1]" 2
35 1 9 C H41 1 14 G O6 2.000 . 2.500 2.264 2.029 2.516 0.016 5 0 "[ . 1]" 2
36 1 9 C N4 1 14 G O6 2.900 2.600 3.600 3.218 2.992 3.461 . 0 0 "[ . 1]" 2
37 1 9 C N3 1 14 G H1 2.000 . 2.500 2.188 2.041 2.347 . 0 0 "[ . 1]" 2
38 1 9 C N3 1 14 G N1 2.900 2.600 3.600 3.142 3.021 3.273 . 0 0 "[ . 1]" 2
39 1 9 C O2 1 14 G H21 2.000 . 2.500 2.031 1.844 2.163 . 0 0 "[ . 1]" 2
40 1 9 C O2 1 14 G N2 2.900 2.600 3.600 2.941 2.758 3.135 . 0 0 "[ . 1]" 2
stop_
save_
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