NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
501444 |
2l8h   |
17408 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l8h
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 232
_Distance_constraint_stats_list.Viol_count 278
_Distance_constraint_stats_list.Viol_total 384.817
_Distance_constraint_stats_list.Viol_max 0.494
_Distance_constraint_stats_list.Viol_rms 0.0607
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0166
_Distance_constraint_stats_list.Viol_average_violations_only 0.1384
_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 0.666 0.090 9 0 "[ . 1]"
1 2 G 6.189 0.376 6 0 "[ . 1]"
1 3 C 6.364 0.376 6 0 "[ . 1]"
1 4 A 0.936 0.139 4 0 "[ . 1]"
1 5 G 6.414 0.366 3 0 "[ . 1]"
1 6 A 2.590 0.317 7 0 "[ . 1]"
1 7 U 0.000 0.000 . 0 "[ . 1]"
1 8 C 1.235 0.183 4 0 "[ . 1]"
1 9 U 0.248 0.049 8 0 "[ . 1]"
1 10 G 0.248 0.049 8 0 "[ . 1]"
1 11 A 0.000 0.000 . 0 "[ . 1]"
1 12 G 1.050 0.125 10 0 "[ . 1]"
1 13 C 5.896 0.494 5 0 "[ . 1]"
1 14 C 3.429 0.494 5 0 "[ . 1]"
1 15 U 0.000 0.000 . 0 "[ . 1]"
1 16 G 0.000 0.000 . 0 "[ . 1]"
1 17 G 0.497 0.085 3 0 "[ . 1]"
1 18 G 6.833 0.452 1 0 "[ . 1]"
1 19 A 0.000 0.000 . 0 "[ . 1]"
1 20 G 0.040 0.019 5 0 "[ . 1]"
1 21 C 3.319 0.353 8 0 "[ . 1]"
1 22 U 0.827 0.113 5 0 "[ . 1]"
1 23 C 0.026 0.026 5 0 "[ . 1]"
1 24 U 3.423 0.257 9 0 "[ . 1]"
1 25 C 7.196 0.366 3 0 "[ . 1]"
1 26 U 0.629 0.061 9 0 "[ . 1]"
1 27 G 0.963 0.063 2 0 "[ . 1]"
1 28 C 1.000 0.063 2 0 "[ . 1]"
1 29 C 0.012 0.012 10 0 "[ . 1]"
2 1 ARG 1.402 0.225 8 0 "[ . 1]"
3 1 L8H 8.024 0.452 1 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 29 C H41 4.500 . 6.000 2.929 2.867 2.972 . 0 0 "[ . 1]" 1
2 1 1 G H1 1 29 C H42 4.500 3.000 6.000 4.390 4.339 4.425 . 0 0 "[ . 1]" 1
3 1 2 G H1 1 27 G H1 4.500 3.000 6.000 4.174 4.156 4.200 . 0 0 "[ . 1]" 1
4 1 2 G H1 1 28 C H42 3.200 . 4.400 4.400 4.344 4.437 0.037 7 0 "[ . 1]" 1
5 1 2 G H1 1 28 C H41 2.500 . 3.200 2.970 2.904 3.014 . 0 0 "[ . 1]" 1
6 1 5 G H1 1 25 C H5 4.500 3.000 6.000 4.718 4.704 4.727 . 0 0 "[ . 1]" 1
7 1 5 G H1 1 25 C H41 3.200 . 4.400 1.997 1.963 2.024 0.037 8 0 "[ . 1]" 1
8 1 5 G H1 1 25 C H42 2.500 . 3.200 3.545 3.516 3.566 0.366 3 0 "[ . 1]" 1
9 1 5 G H1 1 26 U H3 4.500 3.300 5.700 3.271 3.241 3.297 0.059 5 0 "[ . 1]" 1
10 1 10 G H1 1 23 C H41 2.500 . 3.200 3.045 2.969 3.112 . 0 0 "[ . 1]" 1
11 1 12 G H22 1 22 U H3 4.500 . 6.000 4.483 4.332 4.694 . 0 0 "[ . 1]" 1
12 1 12 G H1 1 13 C H41 2.500 . 3.200 3.296 3.253 3.325 0.125 10 0 "[ . 1]" 1
13 1 12 G H1 1 22 U H3 4.500 3.000 6.000 3.072 3.000 3.173 0.000 4 0 "[ . 1]" 1
14 1 12 G H1 1 21 C H41 3.200 . 4.400 2.057 1.983 2.154 0.017 8 0 "[ . 1]" 1
15 1 12 G H1 1 21 C H42 3.200 . 4.400 3.639 3.574 3.725 . 0 0 "[ . 1]" 1
16 1 12 G H1 1 20 G H1 4.500 3.000 6.000 3.080 2.981 3.153 0.019 5 0 "[ . 1]" 1
17 1 13 C H41 1 20 G H1 3.200 . 4.400 3.176 3.088 3.278 . 0 0 "[ . 1]" 1
18 1 11 A H2 1 22 U H3 2.500 . 3.200 2.777 2.608 2.874 . 0 0 "[ . 1]" 1
19 1 11 A Q6 1 22 U H3 2.500 . 3.200 2.356 2.238 2.547 . 0 0 "[ . 1]" 1
20 1 21 C H42 1 22 U H3 4.500 3.000 6.000 4.674 4.525 4.767 . 0 0 "[ . 1]" 1
21 1 22 U H3 1 22 U H3' 4.500 3.000 6.000 6.082 6.062 6.113 0.113 5 0 "[ . 1]" 1
22 1 22 U H3 1 23 C H1' 4.500 3.000 6.000 5.062 4.972 5.170 . 0 0 "[ . 1]" 1
23 1 4 A H2 1 26 U H3 2.500 . 3.200 2.504 2.464 2.567 . 0 0 "[ . 1]" 1
24 1 25 C H41 1 26 U H3 4.500 . 6.000 3.505 3.475 3.544 . 0 0 "[ . 1]" 1
25 1 25 C H42 1 26 U H3 4.500 3.000 6.000 4.678 4.636 4.717 . 0 0 "[ . 1]" 1
26 1 26 U H3 1 27 G H1 4.500 3.000 6.000 4.595 4.439 4.673 . 0 0 "[ . 1]" 1
27 1 3 C H41 1 27 G H1 2.500 . 3.200 2.895 2.775 2.991 . 0 0 "[ . 1]" 1
28 1 27 G H1 1 28 C H41 3.200 . 4.400 4.362 4.291 4.418 0.018 7 0 "[ . 1]" 1
29 1 1 G H1' 1 1 G H8 3.200 . 4.400 3.836 3.834 3.841 . 0 0 "[ . 1]" 1
30 1 1 G H1' 1 1 G H4' 3.200 . 4.400 3.286 3.273 3.296 . 0 0 "[ . 1]" 1
31 1 1 G H4' 1 1 G H8 4.500 3.000 6.000 4.513 4.506 4.525 . 0 0 "[ . 1]" 1
32 1 1 G H1' 1 2 G H8 3.200 . 4.400 4.467 4.450 4.490 0.090 9 0 "[ . 1]" 1
33 1 2 G H1' 1 2 G H8 3.200 . 4.400 3.831 3.826 3.834 . 0 0 "[ . 1]" 1
34 1 2 G H1' 1 2 G H2' 2.500 . 3.200 2.825 2.821 2.829 . 0 0 "[ . 1]" 1
35 1 2 G H2' 1 2 G H8 3.200 . 4.400 3.650 3.635 3.659 . 0 0 "[ . 1]" 1
36 1 2 G H3' 1 2 G H8 3.200 . 4.400 3.191 3.172 3.226 . 0 0 "[ . 1]" 1
37 1 2 G H4' 1 2 G H8 4.500 3.000 6.000 4.605 4.598 4.614 . 0 0 "[ . 1]" 1
38 1 2 G H1' 1 3 C H6 3.200 . 4.400 4.266 4.253 4.277 . 0 0 "[ . 1]" 1
39 1 2 G H2' 1 3 C H5 2.500 . 3.200 3.026 2.978 3.074 . 0 0 "[ . 1]" 1
40 1 2 G H2' 1 3 C H6 2.500 . 3.200 1.594 1.578 1.607 0.222 8 0 "[ . 1]" 1
41 1 2 G H4' 1 3 C H5 4.500 3.000 6.000 6.336 6.302 6.376 0.376 6 0 "[ . 1]" 1
42 1 2 G H8 1 3 C H5 4.500 3.000 6.000 3.585 3.553 3.613 . 0 0 "[ . 1]" 1
43 1 3 C H1' 1 3 C H6 3.200 . 4.400 3.603 3.598 3.607 . 0 0 "[ . 1]" 1
44 1 3 C H1' 1 3 C H2' 2.500 . 3.200 2.809 2.804 2.814 . 0 0 "[ . 1]" 1
45 1 3 C H1' 1 3 C H3' 3.200 . 4.400 3.862 3.860 3.864 . 0 0 "[ . 1]" 1
46 1 3 C H1' 1 3 C H4' 4.500 3.000 6.000 3.218 3.206 3.238 . 0 0 "[ . 1]" 1
47 1 3 C H1' 1 4 A H8 3.200 . 4.400 4.494 4.462 4.539 0.139 4 0 "[ . 1]" 1
48 1 3 C H2' 1 4 A H8 2.500 . 3.200 1.936 1.905 1.989 . 0 0 "[ . 1]" 1
49 1 3 C H3' 1 4 A H8 3.200 . 4.400 3.466 3.430 3.502 . 0 0 "[ . 1]" 1
50 1 4 A H1' 1 4 A H2 4.500 3.000 6.000 4.613 4.609 4.620 . 0 0 "[ . 1]" 1
51 1 4 A H1' 1 4 A H8 4.500 3.000 6.000 3.847 3.844 3.850 . 0 0 "[ . 1]" 1
52 1 4 A H1' 1 4 A H2' 3.200 . 4.400 2.822 2.818 2.826 . 0 0 "[ . 1]" 1
53 1 4 A H1' 1 4 A H3' 3.200 . 4.400 3.868 3.865 3.872 . 0 0 "[ . 1]" 1
54 1 4 A H3' 1 4 A H8 3.200 . 4.400 3.072 3.049 3.095 . 0 0 "[ . 1]" 1
55 1 4 A H1' 1 4 A H4' 3.200 . 4.400 3.125 3.104 3.147 . 0 0 "[ . 1]" 1
56 1 4 A H1' 1 5 G H1' 5.000 3.000 7.000 5.591 5.546 5.638 . 0 0 "[ . 1]" 1
57 1 4 A H1' 1 5 G H8 4.500 3.000 6.000 4.996 4.930 5.037 . 0 0 "[ . 1]" 1
58 1 4 A H2 1 5 G H1' 3.200 . 4.400 3.865 3.847 3.907 . 0 0 "[ . 1]" 1
59 1 4 A H2' 1 5 G H8 3.200 . 4.400 2.340 2.287 2.381 . 0 0 "[ . 1]" 1
60 1 4 A H2 1 27 G H1' 3.200 . 4.400 3.620 3.573 3.681 . 0 0 "[ . 1]" 1
61 1 4 A H3' 1 5 G H8 3.200 . 4.400 3.688 3.608 3.757 . 0 0 "[ . 1]" 1
62 1 5 G H1' 1 5 G H8 3.200 . 4.400 3.885 3.877 3.888 . 0 0 "[ . 1]" 1
63 1 5 G H1' 1 5 G H2' 2.500 . 3.200 2.817 2.813 2.821 . 0 0 "[ . 1]" 1
64 1 5 G H1' 1 5 G H3' 3.200 . 4.400 3.881 3.877 3.885 . 0 0 "[ . 1]" 1
65 1 5 G H3' 1 5 G H8 2.500 . 3.200 2.908 2.889 2.953 . 0 0 "[ . 1]" 1
66 1 5 G H1' 1 6 A H8 4.500 3.000 6.000 5.356 5.255 5.451 . 0 0 "[ . 1]" 1
67 1 5 G H2' 1 6 A H1' 3.200 . 4.400 4.658 4.588 4.717 0.317 7 0 "[ . 1]" 1
68 1 5 G H2' 1 6 A H8 2.500 . 3.200 2.593 2.499 2.683 . 0 0 "[ . 1]" 1
69 1 5 G H3' 1 6 A H8 3.200 . 4.400 3.689 3.605 3.742 . 0 0 "[ . 1]" 1
70 1 6 A H1' 1 6 A H2 4.500 3.000 6.000 4.471 4.470 4.472 . 0 0 "[ . 1]" 1
71 1 6 A H1' 1 6 A H8 3.200 . 4.400 3.921 3.920 3.922 . 0 0 "[ . 1]" 1
72 1 6 A H1' 1 6 A H2' 2.500 . 3.200 2.839 2.824 2.852 . 0 0 "[ . 1]" 1
73 1 6 A H1' 1 6 A H3' 3.200 . 4.400 3.980 3.967 3.995 . 0 0 "[ . 1]" 1
74 1 6 A H3' 1 6 A H8 3.200 . 4.400 2.797 2.726 2.847 . 0 0 "[ . 1]" 1
75 1 6 A H2 1 25 C H1' 3.200 . 4.400 4.255 4.019 4.383 . 0 0 "[ . 1]" 1
76 1 7 U H1' 1 7 U H4' 3.200 . 4.400 3.352 3.333 3.372 . 0 0 "[ . 1]" 1
77 1 7 U H1' 1 10 G H8 3.200 . 4.400 2.653 2.584 2.715 . 0 0 "[ . 1]" 1
78 1 7 U H4' 1 10 G H8 4.500 3.000 6.000 4.979 4.818 5.065 . 0 0 "[ . 1]" 1
79 1 8 C H2' 1 8 C H6 2.500 . 3.200 2.170 1.698 3.243 0.102 7 0 "[ . 1]" 1
80 1 8 C H1' 1 8 C H3' 3.200 . 4.400 4.029 4.003 4.049 . 0 0 "[ . 1]" 1
81 1 8 C H3' 1 8 C H6 3.200 . 4.400 3.520 3.162 4.243 . 0 0 "[ . 1]" 1
82 1 8 C H5' 1 8 C H6 4.500 3.000 6.000 3.474 2.817 3.767 0.183 4 0 "[ . 1]" 1
83 1 8 C H5'' 1 8 C H6 4.500 3.000 6.000 4.013 3.961 4.056 . 0 0 "[ . 1]" 1
84 1 9 U H2' 1 9 U H5 3.200 . 4.400 4.150 4.123 4.220 . 0 0 "[ . 1]" 1
85 1 9 U H2' 1 9 U H6 2.500 . 3.200 2.180 2.126 2.305 . 0 0 "[ . 1]" 1
86 1 9 U H1' 1 9 U H3' 3.200 . 4.400 4.052 4.043 4.055 . 0 0 "[ . 1]" 1
87 1 9 U H3' 1 9 U H6 4.500 3.000 6.000 3.167 3.088 3.264 . 0 0 "[ . 1]" 1
88 1 9 U H2' 1 10 G H8 4.500 3.000 6.000 2.983 2.951 3.031 0.049 8 0 "[ . 1]" 1
89 1 10 G H1' 1 10 G H8 4.500 3.000 6.000 3.818 3.813 3.821 . 0 0 "[ . 1]" 1
90 1 10 G H1' 1 10 G H2' 2.500 . 3.200 2.851 2.848 2.854 . 0 0 "[ . 1]" 1
91 1 10 G H3' 1 10 G H8 3.200 . 4.400 3.400 3.384 3.417 . 0 0 "[ . 1]" 1
92 1 10 G H1' 1 10 G H4' 4.500 3.000 6.000 3.038 3.024 3.050 . 0 0 "[ . 1]" 1
93 1 10 G H1' 1 11 A H8 4.500 3.000 6.000 4.693 4.657 4.751 . 0 0 "[ . 1]" 1
94 1 11 A H1' 1 11 A H8 3.200 . 4.400 3.825 3.818 3.834 . 0 0 "[ . 1]" 1
95 1 11 A H1' 1 11 A H2' 2.500 . 3.200 2.842 2.837 2.849 . 0 0 "[ . 1]" 1
96 1 11 A H1' 1 11 A H4' 3.200 . 4.400 3.058 3.041 3.074 . 0 0 "[ . 1]" 1
97 1 11 A H2 1 12 G H1' 3.200 . 4.400 3.562 3.374 3.808 . 0 0 "[ . 1]" 1
98 1 11 A H2 1 22 U H1' 4.500 3.000 6.000 5.010 4.983 5.048 . 0 0 "[ . 1]" 1
99 1 11 A H2 1 23 C H1' 3.200 . 4.400 3.493 3.356 3.734 . 0 0 "[ . 1]" 1
100 1 12 G H1' 1 12 G H2' 2.500 . 3.200 2.841 2.838 2.848 . 0 0 "[ . 1]" 1
101 1 12 G H1' 1 12 G H3' 4.500 3.000 6.000 3.878 3.876 3.880 . 0 0 "[ . 1]" 1
102 1 12 G H1' 1 13 C H6 4.500 3.000 6.000 5.288 4.983 5.465 . 0 0 "[ . 1]" 1
103 1 12 G H2' 1 13 C H5 3.200 . 4.400 3.712 3.495 3.841 . 0 0 "[ . 1]" 1
104 1 12 G H2' 1 13 C H6 2.500 . 3.200 2.595 2.302 2.767 . 0 0 "[ . 1]" 1
105 1 12 G H3' 1 13 C H5 4.500 3.000 6.000 4.636 4.489 4.740 . 0 0 "[ . 1]" 1
106 1 12 G H3' 1 13 C H6 4.500 3.000 6.000 4.011 3.835 4.130 . 0 0 "[ . 1]" 1
107 1 13 C H1' 1 13 C H6 3.200 . 4.400 3.727 3.712 3.733 . 0 0 "[ . 1]" 1
108 1 13 C H1' 1 13 C H2' 2.500 . 3.200 2.878 2.873 2.888 . 0 0 "[ . 1]" 1
109 1 13 C H2' 1 13 C H6 3.200 . 4.400 2.731 2.612 2.946 . 0 0 "[ . 1]" 1
110 1 13 C H1' 1 13 C H3' 4.500 3.000 6.000 3.941 3.934 3.952 . 0 0 "[ . 1]" 1
111 1 13 C H1' 1 13 C H4' 4.500 3.000 6.000 3.081 3.059 3.105 . 0 0 "[ . 1]" 1
112 1 13 C H1' 1 14 C H6 3.200 . 4.400 4.743 4.569 4.894 0.494 5 0 "[ . 1]" 1
113 1 13 C H2' 1 14 C H6 3.200 . 4.400 2.278 2.106 2.429 . 0 0 "[ . 1]" 1
114 1 13 C H3' 1 14 C H6 4.500 3.000 6.000 3.643 3.108 4.032 . 0 0 "[ . 1]" 1
115 1 13 C H5 1 14 C H5 4.500 3.000 6.000 3.874 3.529 4.048 . 0 0 "[ . 1]" 1
116 1 14 C H1' 1 14 C H6 3.200 . 4.400 3.729 3.725 3.731 . 0 0 "[ . 1]" 1
117 1 14 C H2' 1 14 C H6 2.500 . 3.200 2.649 2.538 2.779 . 0 0 "[ . 1]" 1
118 1 14 C H3' 1 14 C H6 3.200 . 4.400 2.690 2.631 2.771 . 0 0 "[ . 1]" 1
119 1 14 C H1' 1 14 C H4' 3.200 . 4.400 3.411 3.323 3.463 . 0 0 "[ . 1]" 1
120 1 15 U H2' 1 15 U H5 3.200 . 4.400 4.346 4.222 4.399 . 0 0 "[ . 1]" 1
121 1 15 U H1' 1 15 U H4' 3.200 . 4.400 3.414 3.316 3.589 . 0 0 "[ . 1]" 1
122 1 16 G H1' 1 16 G H8 3.200 . 4.400 3.880 3.795 3.919 . 0 0 "[ . 1]" 1
123 1 16 G H1' 1 16 G H2' 3.200 . 4.400 2.910 2.879 2.923 . 0 0 "[ . 1]" 1
124 1 17 G H1' 1 17 G H8 3.200 . 4.400 3.872 3.807 3.913 . 0 0 "[ . 1]" 1
125 1 17 G H1' 1 17 G H2' 4.500 3.000 6.000 2.961 2.926 2.976 0.074 1 0 "[ . 1]" 1
126 1 17 G H2' 1 17 G H8 3.200 . 4.400 2.203 1.915 3.535 0.085 3 0 "[ . 1]" 1
127 1 17 G H1' 1 17 G H3' 3.200 . 4.400 4.002 3.984 4.019 . 0 0 "[ . 1]" 1
128 1 17 G H3' 1 17 G H8 4.500 3.000 6.000 3.811 3.716 4.083 . 0 0 "[ . 1]" 1
129 1 17 G H1' 1 17 G H4' 3.200 . 4.400 3.470 3.189 3.549 . 0 0 "[ . 1]" 1
130 1 18 G H1' 1 18 G H8 3.200 . 4.400 3.896 3.866 3.908 . 0 0 "[ . 1]" 1
131 1 18 G H1' 1 18 G H2' 3.200 . 4.400 2.886 2.807 2.911 . 0 0 "[ . 1]" 1
132 1 18 G H2' 1 18 G H8 2.500 . 3.200 2.310 2.081 2.538 . 0 0 "[ . 1]" 1
133 1 18 G H2' 1 18 G H3' 3.200 . 4.400 2.274 2.267 2.278 . 0 0 "[ . 1]" 1
134 1 18 G H1' 1 18 G H4' 4.500 3.000 6.000 3.715 3.697 3.730 . 0 0 "[ . 1]" 1
135 1 18 G H2' 1 18 G H4' 3.200 . 4.400 4.035 4.017 4.074 . 0 0 "[ . 1]" 1
136 1 18 G H4' 1 18 G H8 3.200 . 4.400 4.525 4.375 4.660 0.260 9 0 "[ . 1]" 1
137 1 19 A H1' 1 20 G H1' 4.500 3.000 6.000 5.132 4.841 5.518 . 0 0 "[ . 1]" 1
138 1 20 G H1' 1 20 G H8 3.200 . 4.400 3.836 3.819 3.847 . 0 0 "[ . 1]" 1
139 1 20 G H1' 1 20 G H2' 2.500 . 3.200 2.814 2.797 2.823 . 0 0 "[ . 1]" 1
140 1 20 G H2' 1 20 G H8 3.200 . 4.400 3.603 3.568 3.664 . 0 0 "[ . 1]" 1
141 1 20 G H1' 1 20 G H3' 3.200 . 4.400 3.865 3.858 3.870 . 0 0 "[ . 1]" 1
142 1 20 G H3' 1 20 G H8 3.200 . 4.400 3.014 2.925 3.125 . 0 0 "[ . 1]" 1
143 1 20 G H1' 1 21 C H5 4.500 3.000 6.000 5.774 5.666 5.906 . 0 0 "[ . 1]" 1
144 1 20 G H1' 1 21 C H6 4.500 3.000 6.000 4.450 4.399 4.516 . 0 0 "[ . 1]" 1
145 1 20 G H2' 1 21 C H5 3.200 . 4.400 3.588 3.516 3.679 . 0 0 "[ . 1]" 1
146 1 20 G H2' 1 21 C H6 2.500 . 3.200 1.830 1.794 1.884 0.006 7 0 "[ . 1]" 1
147 1 20 G H3' 1 21 C H5 4.500 3.000 6.000 4.348 4.311 4.388 . 0 0 "[ . 1]" 1
148 1 21 C H1' 1 21 C H6 3.200 . 4.400 3.657 3.653 3.659 . 0 0 "[ . 1]" 1
149 1 21 C H1' 1 21 C H2' 3.200 . 4.400 2.821 2.813 2.831 . 0 0 "[ . 1]" 1
150 1 21 C H2' 1 21 C H5 3.200 . 4.400 4.728 4.716 4.753 0.353 8 0 "[ . 1]" 1
151 1 21 C H2' 1 22 U H6 2.500 . 3.200 1.842 1.790 1.904 0.010 4 0 "[ . 1]" 1
152 1 21 C H5 1 22 U H5 3.200 . 4.400 3.316 3.226 3.405 . 0 0 "[ . 1]" 1
153 1 22 U H1' 1 22 U H6 3.200 . 4.400 3.648 3.646 3.650 . 0 0 "[ . 1]" 1
154 1 22 U H1' 1 22 U H2' 3.200 . 4.400 2.816 2.809 2.823 . 0 0 "[ . 1]" 1
155 1 22 U H1' 1 22 U H3' 3.200 . 4.400 3.852 3.850 3.855 . 0 0 "[ . 1]" 1
156 1 22 U H1' 1 22 U H4' 4.500 3.000 6.000 3.137 3.110 3.163 . 0 0 "[ . 1]" 1
157 1 23 C H1' 1 23 C H6 4.500 3.000 6.000 3.644 3.640 3.648 . 0 0 "[ . 1]" 1
158 1 23 C H1' 1 24 U H6 5.000 3.000 7.000 5.266 4.785 5.568 . 0 0 "[ . 1]" 1
159 1 23 C H2' 1 24 U H1' 3.200 . 4.400 3.999 3.825 4.121 . 0 0 "[ . 1]" 1
160 1 23 C H2' 1 24 U H6 3.200 . 4.400 2.457 1.974 2.757 0.026 5 0 "[ . 1]" 1
161 1 23 C H6 1 24 U H5 3.200 . 4.400 3.928 3.716 4.094 . 0 0 "[ . 1]" 1
162 1 24 U H1' 1 24 U H2' 2.500 . 3.200 2.799 2.792 2.807 . 0 0 "[ . 1]" 1
163 1 24 U H1' 1 25 C H6 3.200 . 4.400 4.534 4.501 4.558 0.158 3 0 "[ . 1]" 1
164 1 24 U H2' 1 25 C H5 3.200 . 4.400 3.443 3.341 3.546 . 0 0 "[ . 1]" 1
165 1 24 U H2' 1 25 C H6 3.200 . 4.400 1.795 1.743 1.844 0.257 9 0 "[ . 1]" 1
166 1 24 U H3' 1 25 C H5 4.500 3.000 6.000 3.524 3.323 3.674 . 0 0 "[ . 1]" 1
167 1 24 U H3' 1 25 C H6 3.200 . 4.400 3.015 2.920 3.123 . 0 0 "[ . 1]" 1
168 1 24 U H5 1 25 C H5 3.200 . 4.400 2.670 2.608 2.793 . 0 0 "[ . 1]" 1
169 1 25 C H1' 1 25 C H2' 2.500 . 3.200 2.794 2.783 2.802 . 0 0 "[ . 1]" 1
170 1 25 C H3' 1 25 C H6 3.200 . 4.400 2.597 2.535 2.693 . 0 0 "[ . 1]" 1
171 1 25 C H1' 1 26 U H6 3.200 . 4.400 4.375 4.329 4.427 0.027 4 0 "[ . 1]" 1
172 1 25 C H2' 1 26 U H5 3.200 . 4.400 3.502 3.440 3.592 . 0 0 "[ . 1]" 1
173 1 25 C H2' 1 26 U H6 2.500 . 3.200 1.782 1.739 1.848 0.061 9 0 "[ . 1]" 1
174 1 25 C H5 1 26 U H5 3.200 . 4.400 2.926 2.887 2.987 . 0 0 "[ . 1]" 1
175 1 25 C H6 1 26 U H5 3.200 . 4.400 3.635 3.569 3.747 . 0 0 "[ . 1]" 1
176 1 26 U H1' 1 26 U H2' 2.500 . 3.200 2.823 2.817 2.828 . 0 0 "[ . 1]" 1
177 1 26 U H2' 1 26 U H5 5.000 3.000 7.000 4.914 4.882 4.940 . 0 0 "[ . 1]" 1
178 1 26 U H3' 1 26 U H6 3.200 . 4.400 2.843 2.829 2.853 . 0 0 "[ . 1]" 1
179 1 26 U H1' 1 26 U H4' 4.500 3.000 6.000 3.137 3.115 3.157 . 0 0 "[ . 1]" 1
180 1 26 U H1' 1 27 G H8 3.200 . 4.400 4.400 4.366 4.425 0.025 4 0 "[ . 1]" 1
181 1 26 U H2' 1 27 G H8 2.500 . 3.200 1.866 1.826 1.887 . 0 0 "[ . 1]" 1
182 1 26 U H3' 1 27 G H8 3.200 . 4.400 3.374 3.319 3.413 . 0 0 "[ . 1]" 1
183 1 27 G H1' 1 27 G H8 3.200 . 4.400 3.828 3.826 3.831 . 0 0 "[ . 1]" 1
184 1 27 G H1' 1 27 G H2' 2.500 . 3.200 2.831 2.829 2.835 . 0 0 "[ . 1]" 1
185 1 27 G H2' 1 27 G H8 3.200 . 4.400 3.588 3.577 3.599 . 0 0 "[ . 1]" 1
186 1 27 G H1' 1 27 G H3' 4.500 3.000 6.000 3.869 3.868 3.871 . 0 0 "[ . 1]" 1
187 1 27 G H1' 1 28 C H5 4.500 3.000 6.000 5.223 5.200 5.253 . 0 0 "[ . 1]" 1
188 1 27 G H1' 1 28 C H6 3.200 . 4.400 4.444 4.423 4.462 0.062 4 0 "[ . 1]" 1
189 1 27 G H2' 1 28 C H5 3.200 . 4.400 3.298 3.284 3.311 . 0 0 "[ . 1]" 1
190 1 27 G H2' 1 28 C H6 2.500 . 3.200 1.758 1.737 1.777 0.063 2 0 "[ . 1]" 1
191 1 27 G H3' 1 28 C H5 3.200 . 4.400 3.938 3.904 3.972 . 0 0 "[ . 1]" 1
192 1 27 G H3' 1 28 C H6 4.500 3.000 6.000 3.274 3.249 3.299 . 0 0 "[ . 1]" 1
193 1 27 G H8 1 28 C H5 3.200 . 4.400 3.224 3.192 3.261 . 0 0 "[ . 1]" 1
194 1 28 C H1' 1 28 C H6 3.200 . 4.400 3.608 3.604 3.612 . 0 0 "[ . 1]" 1
195 1 28 C H1' 1 28 C H2' 2.500 . 3.200 2.833 2.829 2.836 . 0 0 "[ . 1]" 1
196 1 28 C H2' 1 28 C H6 4.500 3.000 6.000 3.523 3.503 3.534 . 0 0 "[ . 1]" 1
197 1 28 C H1' 1 28 C H3' 4.500 3.000 6.000 3.880 3.879 3.882 . 0 0 "[ . 1]" 1
198 1 28 C H1' 1 28 C H4' 3.200 . 4.400 3.095 3.086 3.102 . 0 0 "[ . 1]" 1
199 1 28 C H4' 1 28 C H6 4.500 3.000 6.000 4.243 4.240 4.248 . 0 0 "[ . 1]" 1
200 1 28 C H1' 1 29 C H1' 5.000 3.000 7.000 5.987 5.916 6.025 . 0 0 "[ . 1]" 1
201 1 28 C H2' 1 29 C H6 2.500 . 3.200 1.829 1.788 1.880 0.012 10 0 "[ . 1]" 1
202 1 28 C H5 1 29 C H5 3.200 . 4.400 3.588 3.519 3.621 . 0 0 "[ . 1]" 1
203 1 29 C H1' 1 29 C H5 5.000 3.000 7.000 5.363 5.359 5.366 . 0 0 "[ . 1]" 1
204 1 29 C H1' 1 29 C H6 3.200 . 4.400 3.632 3.629 3.635 . 0 0 "[ . 1]" 1
205 1 29 C H1' 1 29 C H2' 2.500 . 3.200 2.879 2.875 2.881 . 0 0 "[ . 1]" 1
206 1 29 C H1' 1 29 C H3' 3.200 . 4.400 3.902 3.901 3.905 . 0 0 "[ . 1]" 1
207 1 29 C H3' 1 29 C H6 3.200 . 4.400 3.248 3.226 3.271 . 0 0 "[ . 1]" 1
208 1 29 C H1' 1 29 C H4' 3.200 . 4.400 3.008 2.999 3.015 . 0 0 "[ . 1]" 1
209 2 1 ARG QB 3 1 L8H HAK 5.000 . 7.000 4.890 3.674 5.315 . 0 0 "[ . 1]" 1
210 2 1 ARG QD 3 1 L8H HAK 5.000 . 7.000 5.055 4.666 5.712 . 0 0 "[ . 1]" 1
211 2 1 ARG HA 2 1 ARG QD 4.000 . 5.500 3.972 2.310 4.543 . 0 0 "[ . 1]" 1
212 2 1 ARG HA 3 1 L8H HAJ 5.000 . 7.000 4.333 4.223 4.551 . 0 0 "[ . 1]" 1
213 2 1 ARG HA 3 1 L8H HAK 4.500 3.000 6.000 5.420 4.599 5.780 . 0 0 "[ . 1]" 1
214 2 1 ARG HA 2 1 ARG QG 2.500 . 3.200 2.834 2.213 3.282 0.082 6 0 "[ . 1]" 1
215 2 1 ARG QG 3 1 L8H HAF 5.000 . 7.000 7.095 7.033 7.225 0.225 8 0 "[ . 1]" 1
216 2 1 ARG QG 3 1 L8H HAH 5.000 . 7.000 5.192 5.085 5.391 . 0 0 "[ . 1]" 1
217 2 1 ARG QG 3 1 L8H HAJ 5.000 . 7.000 4.023 3.680 4.192 . 0 0 "[ . 1]" 1
218 2 1 ARG QG 3 1 L8H HAK 4.000 . 6.000 3.325 3.178 3.622 . 0 0 "[ . 1]" 1
219 1 12 G H1 2 1 ARG QB 5.000 . 7.000 6.571 5.909 7.038 0.038 8 0 "[ . 1]" 1
220 1 13 C H41 2 1 ARG QB 5.000 . 7.000 5.103 4.369 5.874 . 0 0 "[ . 1]" 1
221 1 21 C H41 2 1 ARG QB 5.000 . 7.000 4.812 4.050 5.427 . 0 0 "[ . 1]" 1
222 1 6 A H8 2 1 ARG QG 5.000 . 7.000 4.695 4.082 5.304 . 0 0 "[ . 1]" 1
223 1 13 C H41 2 1 ARG QG 5.000 . 7.000 3.853 3.128 4.783 . 0 0 "[ . 1]" 1
224 1 21 C H41 2 1 ARG QG 5.000 . 7.000 4.122 3.498 4.578 . 0 0 "[ . 1]" 1
225 1 6 A H8 2 1 ARG QD 3.200 . 4.400 3.597 2.433 4.405 0.005 4 0 "[ . 1]" 1
226 1 22 U H3 2 1 ARG QD 5.000 . 7.000 6.138 5.164 6.993 . 0 0 "[ . 1]" 1
227 1 13 C H2' 3 1 L8H HAF 5.000 . 7.000 6.967 6.370 7.206 0.206 7 0 "[ . 1]" 1
228 1 18 G H1' 3 1 L8H HAF 5.000 . 7.000 6.790 6.384 7.140 0.140 4 0 "[ . 1]" 1
229 1 13 C H2' 3 1 L8H HAG 5.000 . 7.000 6.540 5.877 7.184 0.184 5 0 "[ . 1]" 1
230 1 18 G H1' 3 1 L8H HAG 5.000 . 7.000 7.241 6.960 7.366 0.366 7 0 "[ . 1]" 1
231 1 18 G H1' 3 1 L8H HAH 5.000 . 7.000 6.059 5.560 6.651 . 0 0 "[ . 1]" 1
232 1 18 G H1' 3 1 L8H HAK 4.000 . 5.500 5.777 5.690 5.952 0.452 1 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 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 1 G 0.000 0.000 . 0 "[ . 1]"
1 2 G 0.000 0.000 . 0 "[ . 1]"
1 3 C 0.000 0.000 . 0 "[ . 1]"
1 4 A 0.000 0.000 . 0 "[ . 1]"
1 5 G 0.000 0.000 . 0 "[ . 1]"
1 7 U 0.000 0.000 . 0 "[ . 1]"
1 10 G 0.000 0.000 . 0 "[ . 1]"
1 11 A 0.000 0.000 . 0 "[ . 1]"
1 12 G 0.000 0.000 . 0 "[ . 1]"
1 13 C 0.000 0.000 . 0 "[ . 1]"
1 20 G 0.000 0.000 . 0 "[ . 1]"
1 21 C 0.000 0.000 . 0 "[ . 1]"
1 22 U 0.000 0.000 . 0 "[ . 1]"
1 23 C 0.000 0.000 . 0 "[ . 1]"
1 25 C 0.000 0.000 . 0 "[ . 1]"
1 26 U 0.000 0.000 . 0 "[ . 1]"
1 27 G 0.000 0.000 . 0 "[ . 1]"
1 28 C 0.000 0.000 . 0 "[ . 1]"
1 29 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 N1 1 29 C N3 2.950 2.750 3.150 2.938 2.935 2.940 . 0 0 "[ . 1]" 2
2 1 1 G O6 1 29 C N4 2.910 2.710 3.110 2.899 2.895 2.902 . 0 0 "[ . 1]" 2
3 1 1 G N2 1 29 C O2 2.860 2.660 3.060 2.869 2.865 2.874 . 0 0 "[ . 1]" 2
4 1 1 G H1 1 29 C N3 1.950 . 2.150 1.980 1.976 1.984 . 0 0 "[ . 1]" 2
5 1 1 G O6 1 29 C H41 1.910 . 2.110 1.922 1.914 1.930 . 0 0 "[ . 1]" 2
6 1 1 G H21 1 29 C O2 1.860 . 2.060 1.864 1.861 1.868 . 0 0 "[ . 1]" 2
7 1 2 G N1 1 28 C N3 2.950 2.750 3.150 2.889 2.885 2.894 . 0 0 "[ . 1]" 2
8 1 2 G O6 1 28 C N4 2.910 2.710 3.110 2.912 2.905 2.914 . 0 0 "[ . 1]" 2
9 1 2 G N2 1 28 C O2 2.860 2.660 3.060 2.832 2.827 2.836 . 0 0 "[ . 1]" 2
10 1 2 G H1 1 28 C N3 1.950 . 2.150 1.951 1.946 1.956 . 0 0 "[ . 1]" 2
11 1 2 G O6 1 28 C H41 1.910 . 2.110 1.938 1.932 1.944 . 0 0 "[ . 1]" 2
12 1 2 G H21 1 28 C O2 1.860 . 2.060 1.906 1.894 1.917 . 0 0 "[ . 1]" 2
13 1 3 C N3 1 27 G N1 2.950 2.750 3.150 2.892 2.886 2.900 . 0 0 "[ . 1]" 2
14 1 3 C N4 1 27 G O6 2.910 2.710 3.110 2.920 2.914 2.926 . 0 0 "[ . 1]" 2
15 1 3 C O2 1 27 G N2 2.860 2.660 3.060 2.836 2.831 2.843 . 0 0 "[ . 1]" 2
16 1 3 C N3 1 27 G H1 1.950 . 2.150 1.935 1.930 1.941 . 0 0 "[ . 1]" 2
17 1 3 C H41 1 27 G O6 1.910 . 2.110 1.966 1.954 1.971 . 0 0 "[ . 1]" 2
18 1 3 C O2 1 27 G H21 1.860 . 2.060 1.883 1.877 1.887 . 0 0 "[ . 1]" 2
19 1 4 A N1 1 26 U N3 2.730 2.530 2.930 2.760 2.756 2.765 . 0 0 "[ . 1]" 2
20 1 4 A N6 1 26 U O4 2.920 2.720 3.120 2.826 2.819 2.835 . 0 0 "[ . 1]" 2
21 1 4 A N1 1 26 U H3 1.730 . 1.930 1.793 1.786 1.800 . 0 0 "[ . 1]" 2
22 1 4 A Q6 1 26 U O4 1.920 . 2.120 1.948 1.943 1.950 . 0 0 "[ . 1]" 2
23 1 5 G N1 1 25 C N3 2.950 2.750 3.150 2.792 2.784 2.798 . 0 0 "[ . 1]" 2
24 1 5 G O6 1 25 C N4 2.910 2.710 3.110 2.891 2.886 2.896 . 0 0 "[ . 1]" 2
25 1 5 G N2 1 25 C O2 2.860 2.660 3.060 2.916 2.907 2.923 . 0 0 "[ . 1]" 2
26 1 5 G H1 1 25 C N3 1.950 . 2.150 1.836 1.825 1.845 . 0 0 "[ . 1]" 2
27 1 5 G O6 1 25 C H41 1.910 . 2.110 1.994 1.987 2.008 . 0 0 "[ . 1]" 2
28 1 5 G H21 1 25 C O2 1.860 . 2.060 1.992 1.988 2.001 . 0 0 "[ . 1]" 2
29 1 10 G N1 1 23 C N3 2.950 2.750 3.150 2.875 2.866 2.887 . 0 0 "[ . 1]" 2
30 1 10 G O6 1 23 C N4 2.910 2.710 3.110 2.919 2.910 2.924 . 0 0 "[ . 1]" 2
31 1 10 G N2 1 23 C O2 2.860 2.660 3.060 2.808 2.794 2.820 . 0 0 "[ . 1]" 2
32 1 10 G H1 1 23 C N3 1.950 . 2.150 1.956 1.950 1.962 . 0 0 "[ . 1]" 2
33 1 10 G O6 1 23 C H41 1.910 . 2.110 1.960 1.951 1.971 . 0 0 "[ . 1]" 2
34 1 10 G H21 1 23 C O2 1.860 . 2.060 1.918 1.898 1.929 . 0 0 "[ . 1]" 2
35 1 11 A N1 1 22 U N3 2.730 2.530 2.930 2.714 2.704 2.720 . 0 0 "[ . 1]" 2
36 1 11 A N6 1 22 U O4 2.920 2.720 3.120 2.877 2.870 2.888 . 0 0 "[ . 1]" 2
37 1 11 A N1 1 22 U H3 1.730 . 1.930 1.744 1.735 1.750 . 0 0 "[ . 1]" 2
38 1 11 A Q6 1 22 U O4 1.920 . 2.120 1.960 1.954 1.964 . 0 0 "[ . 1]" 2
39 1 12 G N1 1 21 C N3 2.950 2.750 3.150 2.908 2.891 2.934 . 0 0 "[ . 1]" 2
40 1 12 G O6 1 21 C N4 2.910 2.710 3.110 2.911 2.902 2.917 . 0 0 "[ . 1]" 2
41 1 12 G N2 1 21 C O2 2.860 2.660 3.060 2.851 2.841 2.861 . 0 0 "[ . 1]" 2
42 1 12 G H1 1 21 C N3 1.950 . 2.150 1.950 1.936 1.973 . 0 0 "[ . 1]" 2
43 1 12 G O6 1 21 C H41 1.910 . 2.110 1.924 1.907 1.934 . 0 0 "[ . 1]" 2
44 1 12 G H21 1 21 C O2 1.860 . 2.060 1.897 1.883 1.910 . 0 0 "[ . 1]" 2
45 1 13 C N3 1 20 G N1 2.950 2.750 3.150 2.912 2.900 2.921 . 0 0 "[ . 1]" 2
46 1 13 C N4 1 20 G O6 2.910 2.710 3.110 2.869 2.856 2.881 . 0 0 "[ . 1]" 2
47 1 13 C O2 1 20 G N2 2.860 2.660 3.060 2.842 2.824 2.858 . 0 0 "[ . 1]" 2
48 1 13 C N3 1 20 G H1 1.950 . 2.150 1.988 1.980 2.001 . 0 0 "[ . 1]" 2
49 1 13 C H41 1 20 G O6 1.910 . 2.110 1.960 1.949 1.979 . 0 0 "[ . 1]" 2
50 1 13 C O2 1 20 G H21 1.860 . 2.060 1.861 1.855 1.869 . 0 0 "[ . 1]" 2
51 1 7 U H3 1 11 A N7 1.700 . 1.900 1.759 1.742 1.777 . 0 0 "[ . 1]" 2
52 1 7 U N3 1 11 A N7 2.700 2.500 2.900 2.656 2.631 2.669 . 0 0 "[ . 1]" 2
stop_
save_
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