NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
476300 |
1bau   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bau
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 476
_Distance_constraint_stats_list.Viol_count 26
_Distance_constraint_stats_list.Viol_total 3.002
_Distance_constraint_stats_list.Viol_max 1.352
_Distance_constraint_stats_list.Viol_rms 0.0658
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.1155
_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 0.031 0.031 1 0 "[ ]"
1 2 G 0.031 0.031 1 0 "[ ]"
1 3 C 0.221 0.221 1 0 "[ ]"
1 4 A 0.040 0.040 1 0 "[ ]"
1 5 A 0.053 0.053 1 0 "[ ]"
1 6 U 0.006 0.006 1 0 "[ ]"
1 7 G 0.006 0.006 1 0 "[ ]"
1 8 A 0.000 0.000 . 0 "[ ]"
1 9 A 1.352 1.352 1 1 [+]
1 10 G 0.000 0.000 . 0 "[ ]"
1 11 C 0.049 0.049 1 0 "[ ]"
1 12 G 0.049 0.049 1 0 "[ ]"
1 13 C 0.079 0.079 1 0 "[ ]"
1 14 G 0.079 0.079 1 0 "[ ]"
1 15 C 0.011 0.011 1 0 "[ ]"
1 16 A 0.011 0.011 1 0 "[ ]"
1 17 C 0.323 0.323 1 0 "[ ]"
1 18 G 0.000 0.000 . 0 "[ ]"
1 19 U 0.053 0.053 1 0 "[ ]"
1 20 U 0.040 0.040 1 0 "[ ]"
1 21 G 0.245 0.221 1 0 "[ ]"
1 22 C 0.106 0.057 1 0 "[ ]"
1 23 C 0.106 0.057 1 0 "[ ]"
2 1 G 0.030 0.030 1 0 "[ ]"
2 2 G 0.030 0.030 1 0 "[ ]"
2 3 C 0.221 0.221 1 0 "[ ]"
2 4 A 0.100 0.060 1 0 "[ ]"
2 5 A 0.132 0.060 1 0 "[ ]"
2 6 U 0.024 0.018 1 0 "[ ]"
2 7 G 0.066 0.061 1 0 "[ ]"
2 8 A 0.061 0.061 1 0 "[ ]"
2 9 A 0.323 0.323 1 0 "[ ]"
2 10 G 0.000 0.000 . 0 "[ ]"
2 11 C 0.050 0.050 1 0 "[ ]"
2 12 G 0.050 0.050 1 0 "[ ]"
2 13 C 0.078 0.078 1 0 "[ ]"
2 14 G 0.078 0.078 1 0 "[ ]"
2 15 C 0.011 0.011 1 0 "[ ]"
2 16 A 1.362 1.352 1 1 [+]
2 17 C 0.000 0.000 . 0 "[ ]"
2 18 G 0.000 0.000 . 0 "[ ]"
2 19 U 0.054 0.054 1 0 "[ ]"
2 20 U 0.040 0.040 1 0 "[ ]"
2 21 G 0.244 0.221 1 0 "[ ]"
2 22 C 0.057 0.057 1 0 "[ ]"
2 23 C 0.057 0.057 1 0 "[ ]"
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 H2' 1 1 G H8 4.000 . 5.000 4.061 4.061 4.061 . 0 0 "[ ]" 1
2 2 1 G H2' 2 1 G H8 4.000 . 5.000 4.061 4.061 4.061 . 0 0 "[ ]" 1
3 1 1 G H3' 1 1 G H8 3.000 . 4.000 2.831 2.831 2.831 . 0 0 "[ ]" 1
4 2 1 G H3' 2 1 G H8 3.000 . 4.000 2.831 2.831 2.831 . 0 0 "[ ]" 1
5 1 1 G H8 1 2 G H8 6.000 3.000 7.000 4.534 4.534 4.534 . 0 0 "[ ]" 1
6 2 1 G H8 2 2 G H8 6.000 3.000 7.000 4.534 4.534 4.534 . 0 0 "[ ]" 1
7 1 1 G H1' 1 1 G H8 4.000 . 5.000 3.771 3.771 3.771 . 0 0 "[ ]" 1
8 2 1 G H1' 2 1 G H8 4.000 . 5.000 3.772 3.772 3.772 . 0 0 "[ ]" 1
9 1 1 G H3' 1 2 G H8 3.000 . 4.000 3.101 3.101 3.101 . 0 0 "[ ]" 1
10 2 1 G H3' 2 2 G H8 7.000 3.000 8.000 3.101 3.101 3.101 . 0 0 "[ ]" 1
11 1 1 G H2' 1 2 G H1' 7.000 3.000 8.000 4.224 4.224 4.224 . 0 0 "[ ]" 1
12 2 1 G H2' 2 2 G H1' 7.000 3.000 8.000 4.224 4.224 4.224 . 0 0 "[ ]" 1
13 1 1 G H2' 1 2 G H8 3.000 . 4.000 1.969 1.969 1.969 0.031 1 0 "[ ]" 1
14 2 1 G H2' 2 2 G H8 3.000 . 4.000 1.970 1.970 1.970 0.030 1 0 "[ ]" 1
15 1 1 G H1' 1 2 G H1' 7.000 3.000 8.000 5.587 5.587 5.587 . 0 0 "[ ]" 1
16 2 1 G H1' 2 2 G H1' 7.000 3.000 8.000 5.587 5.587 5.587 . 0 0 "[ ]" 1
17 1 1 G H1' 1 2 G H8 4.000 . 5.000 4.250 4.250 4.250 . 0 0 "[ ]" 1
18 2 1 G H1' 2 2 G H8 4.000 . 5.000 4.250 4.250 4.250 . 0 0 "[ ]" 1
19 1 2 G H2' 1 2 G H8 4.000 . 5.000 4.061 4.061 4.061 . 0 0 "[ ]" 1
20 2 2 G H2' 2 2 G H8 4.000 . 5.000 4.061 4.061 4.061 . 0 0 "[ ]" 1
21 1 2 G H3' 1 2 G H8 6.000 3.000 7.000 3.131 3.131 3.131 . 0 0 "[ ]" 1
22 2 2 G H3' 2 2 G H8 3.000 . 4.000 3.131 3.131 3.131 . 0 0 "[ ]" 1
23 1 2 G H1' 1 2 G H8 4.000 . 5.000 3.760 3.760 3.760 . 0 0 "[ ]" 1
24 2 2 G H1' 2 2 G H8 6.000 3.000 7.000 3.760 3.760 3.760 . 0 0 "[ ]" 1
25 1 2 G H3' 1 3 C H5 6.000 3.000 7.000 3.705 3.705 3.705 . 0 0 "[ ]" 1
26 2 2 G H3' 2 3 C H5 6.000 3.000 7.000 3.707 3.707 3.707 . 0 0 "[ ]" 1
27 1 2 G H2' 1 3 C H5 4.000 . 5.000 3.906 3.906 3.906 . 0 0 "[ ]" 1
28 2 2 G H2' 2 3 C H5 4.000 . 5.000 3.907 3.907 3.907 . 0 0 "[ ]" 1
29 1 2 G H2' 1 3 C H6 3.000 . 4.000 2.309 2.309 2.309 . 0 0 "[ ]" 1
30 2 2 G H2' 2 3 C H6 3.000 . 4.000 2.311 2.311 2.311 . 0 0 "[ ]" 1
31 1 2 G H1' 1 3 C H5 7.000 3.000 8.000 5.877 5.877 5.877 . 0 0 "[ ]" 1
32 2 2 G H1' 2 3 C H5 7.000 3.000 8.000 5.878 5.878 5.878 . 0 0 "[ ]" 1
33 1 2 G H1' 1 3 C H6 6.000 3.000 7.000 4.950 4.950 4.950 . 0 0 "[ ]" 1
34 2 2 G H1' 2 3 C H6 6.000 3.000 7.000 4.951 4.951 4.951 . 0 0 "[ ]" 1
35 1 2 G H8 1 3 C H6 7.000 3.000 8.000 4.992 4.992 4.992 . 0 0 "[ ]" 1
36 2 2 G H8 2 3 C H6 7.000 3.000 8.000 4.993 4.993 4.993 . 0 0 "[ ]" 1
37 1 3 C H3' 1 3 C H6 4.000 . 5.000 2.516 2.516 2.516 . 0 0 "[ ]" 1
38 2 3 C H3' 2 3 C H6 4.000 . 5.000 2.516 2.516 2.516 . 0 0 "[ ]" 1
39 1 3 C H1' 1 3 C H5 7.000 3.000 8.000 5.408 5.408 5.408 . 0 0 "[ ]" 1
40 2 3 C H1' 2 3 C H5 7.000 3.000 8.000 5.408 5.408 5.408 . 0 0 "[ ]" 1
41 1 3 C H1' 1 3 C H6 4.000 . 5.000 3.691 3.691 3.691 . 0 0 "[ ]" 1
42 2 3 C H1' 2 3 C H6 6.000 3.000 7.000 3.692 3.692 3.692 . 0 0 "[ ]" 1
43 1 3 C H5 1 3 C H6 3.000 . 4.000 2.437 2.437 2.437 . 0 0 "[ ]" 1
44 2 3 C H5 2 3 C H6 3.000 . 4.000 2.437 2.437 2.437 . 0 0 "[ ]" 1
45 1 3 C H2' 1 4 A H8 3.000 . 4.000 2.095 2.095 2.095 . 0 0 "[ ]" 1
46 2 3 C H2' 2 4 A H8 3.000 . 4.000 2.095 2.095 2.095 . 0 0 "[ ]" 1
47 1 3 C H1' 1 4 A H8 6.000 3.000 7.000 4.786 4.786 4.786 . 0 0 "[ ]" 1
48 2 3 C H1' 2 4 A H8 6.000 3.000 7.000 4.786 4.786 4.786 . 0 0 "[ ]" 1
49 1 3 C H5 1 4 A H8 6.000 3.000 7.000 5.859 5.859 5.859 . 0 0 "[ ]" 1
50 2 3 C H5 2 4 A H8 6.000 3.000 7.000 5.859 5.859 5.859 . 0 0 "[ ]" 1
51 1 3 C H6 1 4 A H8 6.000 3.000 7.000 5.039 5.039 5.039 . 0 0 "[ ]" 1
52 2 3 C H6 2 4 A H8 6.000 3.000 7.000 5.038 5.038 5.038 . 0 0 "[ ]" 1
53 1 3 C H1' 1 4 A H1' 7.000 3.000 8.000 5.362 5.362 5.362 . 0 0 "[ ]" 1
54 2 3 C H1' 2 4 A H1' 7.000 3.000 8.000 5.363 5.363 5.363 . 0 0 "[ ]" 1
55 1 4 A H2' 1 4 A H8 4.000 . 5.000 3.820 3.820 3.820 . 0 0 "[ ]" 1
56 2 4 A H2' 2 4 A H8 4.000 . 5.000 3.821 3.821 3.821 . 0 0 "[ ]" 1
57 1 4 A H1' 1 4 A H8 4.000 . 5.000 3.850 3.850 3.850 . 0 0 "[ ]" 1
58 2 4 A H1' 2 4 A H8 4.000 . 5.000 3.850 3.850 3.850 . 0 0 "[ ]" 1
59 1 4 A H1' 1 4 A H2 7.000 3.000 8.000 4.635 4.635 4.635 . 0 0 "[ ]" 1
60 2 4 A H1' 2 4 A H2 7.000 3.000 8.000 4.635 4.635 4.635 . 0 0 "[ ]" 1
61 1 4 A H3' 1 5 A H8 3.000 . 4.000 3.097 3.097 3.097 . 0 0 "[ ]" 1
62 2 4 A H3' 2 5 A H8 6.000 3.000 7.000 3.096 3.096 3.096 . 0 0 "[ ]" 1
63 1 4 A H2' 1 5 A H8 4.000 . 5.000 2.067 2.067 2.067 . 0 0 "[ ]" 1
64 2 4 A H2' 2 5 A H8 4.000 . 5.000 2.066 2.066 2.066 . 0 0 "[ ]" 1
65 1 4 A H1' 1 5 A H8 6.000 3.000 7.000 4.725 4.725 4.725 . 0 0 "[ ]" 1
66 2 4 A H1' 2 5 A H8 6.000 3.000 7.000 4.724 4.724 4.724 . 0 0 "[ ]" 1
67 1 4 A H8 1 5 A H8 6.000 3.000 7.000 4.738 4.738 4.738 . 0 0 "[ ]" 1
68 2 4 A H8 2 5 A H8 6.000 3.000 7.000 4.738 4.738 4.738 . 0 0 "[ ]" 1
69 1 4 A H2 1 5 A H2' 7.000 3.000 8.000 6.104 6.104 6.104 . 0 0 "[ ]" 1
70 2 4 A H2 2 5 A H2' 7.000 3.000 8.000 6.105 6.105 6.105 . 0 0 "[ ]" 1
71 1 4 A H2 1 5 A H1' 4.000 . 5.000 4.060 4.060 4.060 . 0 0 "[ ]" 1
72 2 4 A H2 2 5 A H1' 3.000 . 4.000 4.060 4.060 4.060 0.060 1 0 "[ ]" 1
73 1 4 A H2 1 5 A H8 6.000 3.000 7.000 5.482 5.482 5.482 . 0 0 "[ ]" 1
74 2 4 A H2 2 5 A H8 6.000 3.000 7.000 5.482 5.482 5.482 . 0 0 "[ ]" 1
75 1 4 A H2 1 5 A H2 4.000 . 5.000 4.021 4.021 4.021 . 0 0 "[ ]" 1
76 2 4 A H2 2 5 A H2 4.000 . 5.000 4.021 4.021 4.021 . 0 0 "[ ]" 1
77 1 5 A H3' 1 5 A H8 4.000 . 5.000 2.904 2.904 2.904 . 0 0 "[ ]" 1
78 2 5 A H3' 2 5 A H8 4.000 . 5.000 2.904 2.904 2.904 . 0 0 "[ ]" 1
79 1 5 A H2 1 5 A H2' 6.000 3.000 7.000 4.989 4.989 4.989 . 0 0 "[ ]" 1
80 2 5 A H2 2 5 A H2' 6.000 3.000 7.000 4.990 4.990 4.990 . 0 0 "[ ]" 1
81 1 5 A H1' 1 5 A H8 4.000 . 5.000 3.884 3.884 3.884 . 0 0 "[ ]" 1
82 2 5 A H1' 2 5 A H8 4.000 . 5.000 3.885 3.885 3.885 . 0 0 "[ ]" 1
83 1 5 A H8 1 6 U H5 6.000 3.000 7.000 3.943 3.943 3.943 . 0 0 "[ ]" 1
84 2 5 A H8 2 6 U H5 6.000 3.000 7.000 3.943 3.943 3.943 . 0 0 "[ ]" 1
85 1 5 A H3' 1 6 U H5 4.000 . 5.000 3.345 3.345 3.345 . 0 0 "[ ]" 1
86 2 5 A H3' 2 6 U H5 4.000 . 5.000 3.345 3.345 3.345 . 0 0 "[ ]" 1
87 1 5 A H3' 1 6 U H6 4.000 . 5.000 3.243 3.243 3.243 . 0 0 "[ ]" 1
88 2 5 A H3' 2 6 U H6 4.000 . 5.000 3.243 3.243 3.243 . 0 0 "[ ]" 1
89 1 5 A H2' 1 6 U H1' 6.000 3.000 7.000 3.683 3.683 3.683 . 0 0 "[ ]" 1
90 2 5 A H2' 2 6 U H1' 6.000 3.000 7.000 3.683 3.683 3.683 . 0 0 "[ ]" 1
91 1 5 A H2' 1 6 U H5 4.000 . 5.000 3.401 3.401 3.401 . 0 0 "[ ]" 1
92 2 5 A H2' 2 6 U H5 4.000 . 5.000 3.401 3.401 3.401 . 0 0 "[ ]" 1
93 1 5 A H2' 1 6 U H6 3.000 . 4.000 2.343 2.343 2.343 . 0 0 "[ ]" 1
94 2 5 A H2' 2 6 U H6 3.000 . 4.000 2.342 2.342 2.342 . 0 0 "[ ]" 1
95 1 5 A H1' 1 6 U H1' 6.000 3.000 7.000 5.061 5.061 5.061 . 0 0 "[ ]" 1
96 2 5 A H1' 2 6 U H1' 6.000 3.000 7.000 5.061 5.061 5.061 . 0 0 "[ ]" 1
97 1 5 A H1' 1 6 U H5 6.000 3.000 7.000 5.637 5.637 5.637 . 0 0 "[ ]" 1
98 2 5 A H1' 2 6 U H5 6.000 3.000 7.000 5.638 5.638 5.638 . 0 0 "[ ]" 1
99 1 5 A H1' 1 6 U H6 6.000 3.000 7.000 5.063 5.063 5.063 . 0 0 "[ ]" 1
100 2 5 A H1' 2 6 U H6 6.000 3.000 7.000 5.063 5.063 5.063 . 0 0 "[ ]" 1
101 1 5 A H8 1 6 U H6 7.000 3.000 8.000 5.054 5.054 5.054 . 0 0 "[ ]" 1
102 2 5 A H8 2 6 U H6 7.000 3.000 8.000 5.055 5.055 5.055 . 0 0 "[ ]" 1
103 1 5 A H2 1 6 U H2' 6.000 3.000 7.000 6.035 6.035 6.035 . 0 0 "[ ]" 1
104 2 5 A H2 2 6 U H2' 6.000 3.000 7.000 6.036 6.036 6.036 . 0 0 "[ ]" 1
105 1 5 A H2 1 6 U H1' 4.000 . 5.000 4.017 4.017 4.017 . 0 0 "[ ]" 1
106 2 5 A H2 2 6 U H1' 3.000 . 4.000 4.018 4.018 4.018 0.018 1 0 "[ ]" 1
107 1 6 U H3' 1 6 U H5 4.000 . 5.000 4.181 4.181 4.181 . 0 0 "[ ]" 1
108 2 6 U H3' 2 6 U H5 4.000 . 5.000 4.182 4.182 4.182 . 0 0 "[ ]" 1
109 1 6 U H3' 1 6 U H6 3.000 . 4.000 2.186 2.186 2.186 . 0 0 "[ ]" 1
110 2 6 U H3' 2 6 U H6 3.000 . 4.000 2.187 2.187 2.187 . 0 0 "[ ]" 1
111 1 6 U H2' 1 6 U H5 6.000 3.000 7.000 5.147 5.147 5.147 . 0 0 "[ ]" 1
112 2 6 U H2' 2 6 U H5 6.000 3.000 7.000 5.148 5.148 5.148 . 0 0 "[ ]" 1
113 1 6 U H2' 1 6 U H6 4.000 . 5.000 3.579 3.579 3.579 . 0 0 "[ ]" 1
114 2 6 U H2' 2 6 U H6 4.000 . 5.000 3.579 3.579 3.579 . 0 0 "[ ]" 1
115 1 6 U H1' 1 6 U H5 6.000 3.000 7.000 5.381 5.381 5.381 . 0 0 "[ ]" 1
116 2 6 U H1' 2 6 U H5 6.000 3.000 7.000 5.382 5.382 5.382 . 0 0 "[ ]" 1
117 1 6 U H1' 1 6 U H6 6.000 3.000 7.000 3.720 3.720 3.720 . 0 0 "[ ]" 1
118 2 6 U H1' 2 6 U H6 6.000 3.000 7.000 3.720 3.720 3.720 . 0 0 "[ ]" 1
119 1 6 U H5 1 6 U H6 3.000 . 4.000 2.356 2.356 2.356 . 0 0 "[ ]" 1
120 2 6 U H5 2 6 U H6 3.000 . 4.000 2.357 2.357 2.357 . 0 0 "[ ]" 1
121 1 6 U H3' 1 7 G H8 4.000 . 5.000 2.312 2.312 2.312 . 0 0 "[ ]" 1
122 2 6 U H3' 2 7 G H8 4.000 . 5.000 2.310 2.310 2.310 . 0 0 "[ ]" 1
123 1 6 U H2' 1 7 G H1' 6.000 3.000 7.000 4.059 4.059 4.059 . 0 0 "[ ]" 1
124 2 6 U H2' 2 7 G H1' 6.000 3.000 7.000 4.060 4.060 4.060 . 0 0 "[ ]" 1
125 1 6 U H2' 1 7 G H8 3.000 . 4.000 1.994 1.994 1.994 0.006 1 0 "[ ]" 1
126 2 6 U H2' 2 7 G H8 3.000 . 4.000 1.994 1.994 1.994 0.006 1 0 "[ ]" 1
127 1 6 U H1' 1 7 G H1' 7.000 3.000 8.000 5.708 5.708 5.708 . 0 0 "[ ]" 1
128 2 6 U H1' 2 7 G H1' 7.000 3.000 8.000 5.709 5.709 5.709 . 0 0 "[ ]" 1
129 1 6 U H1' 1 7 G H8 4.000 . 5.000 4.314 4.314 4.314 . 0 0 "[ ]" 1
130 2 6 U H1' 2 7 G H8 4.000 . 5.000 4.314 4.314 4.314 . 0 0 "[ ]" 1
131 1 6 U H6 1 7 G H8 6.000 3.000 7.000 3.454 3.454 3.454 . 0 0 "[ ]" 1
132 2 6 U H6 2 7 G H8 6.000 3.000 7.000 3.454 3.454 3.454 . 0 0 "[ ]" 1
133 1 7 G H3' 1 7 G H8 6.000 3.000 7.000 4.537 4.537 4.537 . 0 0 "[ ]" 1
134 2 7 G H3' 2 7 G H8 6.000 3.000 7.000 4.537 4.537 4.537 . 0 0 "[ ]" 1
135 1 7 G H2' 1 7 G H8 4.000 . 5.000 2.943 2.943 2.943 . 0 0 "[ ]" 1
136 2 7 G H2' 2 7 G H8 4.000 . 5.000 2.943 2.943 2.943 . 0 0 "[ ]" 1
137 1 7 G H1' 1 7 G H8 4.000 . 5.000 3.839 3.839 3.839 . 0 0 "[ ]" 1
138 2 7 G H1' 2 7 G H8 4.000 . 5.000 3.840 3.840 3.840 . 0 0 "[ ]" 1
139 1 7 G H3' 1 8 A H1' 6.000 3.000 7.000 6.297 6.297 6.297 . 0 0 "[ ]" 1
140 2 7 G H3' 2 8 A H1' 6.000 3.000 7.000 6.295 6.295 6.295 . 0 0 "[ ]" 1
141 1 7 G H3' 1 8 A H8 3.000 . 4.000 2.624 2.624 2.624 . 0 0 "[ ]" 1
142 2 7 G H3' 2 8 A H8 3.000 . 4.000 2.623 2.623 2.623 . 0 0 "[ ]" 1
143 1 7 G H2' 1 8 A H8 4.000 . 5.000 2.976 2.976 2.976 . 0 0 "[ ]" 1
144 2 7 G H2' 2 8 A H8 4.000 . 5.000 2.976 2.976 2.976 . 0 0 "[ ]" 1
145 1 7 G H1' 1 8 A H8 5.000 3.000 6.000 5.060 5.060 5.060 . 0 0 "[ ]" 1
146 2 7 G H1' 2 8 A H8 4.000 . 5.000 5.061 5.061 5.061 0.061 1 0 "[ ]" 1
147 1 7 G H8 1 8 A H8 6.000 3.000 7.000 5.859 5.859 5.859 . 0 0 "[ ]" 1
148 2 7 G H8 2 8 A H8 6.000 3.000 7.000 5.860 5.860 5.860 . 0 0 "[ ]" 1
149 1 8 A H3' 1 8 A H8 3.000 . 4.000 2.723 2.723 2.723 . 0 0 "[ ]" 1
150 2 8 A H3' 2 8 A H8 3.000 . 4.000 2.722 2.722 2.722 . 0 0 "[ ]" 1
151 1 8 A H1' 1 8 A H8 4.000 . 5.000 3.892 3.892 3.892 . 0 0 "[ ]" 1
152 2 8 A H1' 2 8 A H8 4.000 . 5.000 3.892 3.892 3.892 . 0 0 "[ ]" 1
153 1 9 A H3' 1 9 A H8 4.000 . 5.000 3.996 3.996 3.996 . 0 0 "[ ]" 1
154 2 9 A H3' 2 9 A H8 4.000 . 5.000 3.997 3.997 3.997 . 0 0 "[ ]" 1
155 1 9 A H2' 1 9 A H8 4.000 . 5.000 4.257 4.257 4.257 . 0 0 "[ ]" 1
156 2 9 A H2' 2 9 A H8 4.000 . 5.000 4.257 4.257 4.257 . 0 0 "[ ]" 1
157 1 9 A H1' 1 9 A H8 4.000 . 5.000 3.339 3.339 3.339 . 0 0 "[ ]" 1
158 2 9 A H1' 2 9 A H8 4.000 . 5.000 3.339 3.339 3.339 . 0 0 "[ ]" 1
159 1 9 A H2' 1 10 G H8 4.000 . 5.000 3.225 3.225 3.225 . 0 0 "[ ]" 1
160 2 9 A H2' 2 10 G H8 4.000 . 5.000 3.224 3.224 3.224 . 0 0 "[ ]" 1
161 1 9 A H1' 1 10 G H1' 6.000 3.000 7.000 5.841 5.841 5.841 . 0 0 "[ ]" 1
162 2 9 A H1' 2 10 G H1' 6.000 3.000 7.000 5.841 5.841 5.841 . 0 0 "[ ]" 1
163 1 9 A H1' 1 10 G H8 6.000 3.000 7.000 5.738 5.738 5.738 . 0 0 "[ ]" 1
164 2 9 A H1' 2 10 G H8 6.000 3.000 7.000 5.738 5.738 5.738 . 0 0 "[ ]" 1
165 1 10 G H3' 1 10 G H8 4.000 . 5.000 2.812 2.812 2.812 . 0 0 "[ ]" 1
166 2 10 G H3' 2 10 G H8 4.000 . 5.000 2.812 2.812 2.812 . 0 0 "[ ]" 1
167 1 10 G H2' 1 10 G H8 4.000 . 5.000 3.469 3.469 3.469 . 0 0 "[ ]" 1
168 2 10 G H2' 2 10 G H8 3.000 . 4.000 3.468 3.468 3.468 . 0 0 "[ ]" 1
169 1 10 G H1' 1 10 G H8 3.000 . 4.000 3.593 3.593 3.593 . 0 0 "[ ]" 1
170 2 10 G H1' 2 10 G H8 3.000 . 4.000 3.593 3.593 3.593 . 0 0 "[ ]" 1
171 1 10 G H3' 1 11 C H6 6.000 3.000 7.000 4.290 4.290 4.290 . 0 0 "[ ]" 1
172 2 10 G H3' 2 11 C H6 6.000 3.000 7.000 4.290 4.290 4.290 . 0 0 "[ ]" 1
173 1 10 G H2' 1 11 C H5 4.000 . 5.000 3.688 3.688 3.688 . 0 0 "[ ]" 1
174 2 10 G H2' 2 11 C H5 4.000 . 5.000 3.689 3.689 3.689 . 0 0 "[ ]" 1
175 1 10 G H2' 1 11 C H6 4.000 . 5.000 2.225 2.225 2.225 . 0 0 "[ ]" 1
176 2 10 G H2' 2 11 C H6 4.000 . 5.000 2.225 2.225 2.225 . 0 0 "[ ]" 1
177 1 10 G H1' 1 11 C H1' 6.000 3.000 7.000 5.496 5.496 5.496 . 0 0 "[ ]" 1
178 2 10 G H1' 2 11 C H1' 6.000 3.000 7.000 5.496 5.496 5.496 . 0 0 "[ ]" 1
179 1 10 G H1' 1 11 C H5 6.000 3.000 7.000 5.157 5.157 5.157 . 0 0 "[ ]" 1
180 2 10 G H1' 2 11 C H5 6.000 3.000 7.000 5.157 5.157 5.157 . 0 0 "[ ]" 1
181 1 10 G H1' 1 11 C H6 4.000 . 5.000 4.354 4.354 4.354 . 0 0 "[ ]" 1
182 2 10 G H1' 2 11 C H6 4.000 . 5.000 4.353 4.353 4.353 . 0 0 "[ ]" 1
183 1 11 C H2' 1 11 C H6 3.000 . 4.000 3.198 3.198 3.198 . 0 0 "[ ]" 1
184 2 11 C H2' 2 11 C H6 3.000 . 4.000 3.198 3.198 3.198 . 0 0 "[ ]" 1
185 1 11 C H1' 1 11 C H5 6.000 3.000 7.000 5.401 5.401 5.401 . 0 0 "[ ]" 1
186 2 11 C H1' 2 11 C H5 6.000 3.000 7.000 5.402 5.402 5.402 . 0 0 "[ ]" 1
187 1 11 C H1' 1 11 C H6 4.000 . 5.000 3.726 3.726 3.726 . 0 0 "[ ]" 1
188 2 11 C H1' 2 11 C H6 4.000 . 5.000 3.726 3.726 3.726 . 0 0 "[ ]" 1
189 1 11 C H5 1 11 C H6 3.000 . 4.000 2.351 2.351 2.351 . 0 0 "[ ]" 1
190 2 11 C H5 2 11 C H6 3.000 . 4.000 2.352 2.352 2.352 . 0 0 "[ ]" 1
191 1 11 C H2' 1 12 G H8 4.000 . 5.000 1.951 1.951 1.951 0.049 1 0 "[ ]" 1
192 2 11 C H2' 2 12 G H8 4.000 . 5.000 1.950 1.950 1.950 0.050 1 0 "[ ]" 1
193 1 11 C H1' 1 12 G H8 4.000 . 5.000 4.459 4.459 4.459 . 0 0 "[ ]" 1
194 2 11 C H1' 2 12 G H8 4.000 . 5.000 4.459 4.459 4.459 . 0 0 "[ ]" 1
195 1 11 C H6 1 12 G H8 6.000 3.000 7.000 3.303 3.303 3.303 . 0 0 "[ ]" 1
196 2 11 C H6 2 12 G H8 6.000 3.000 7.000 3.302 3.302 3.302 . 0 0 "[ ]" 1
197 1 12 G H3' 1 12 G H8 4.000 . 5.000 3.019 3.019 3.019 . 0 0 "[ ]" 1
198 2 12 G H3' 2 12 G H8 4.000 . 5.000 3.019 3.019 3.019 . 0 0 "[ ]" 1
199 1 12 G H1' 1 12 G H8 4.000 . 5.000 3.799 3.799 3.799 . 0 0 "[ ]" 1
200 2 12 G H1' 2 12 G H8 4.000 . 5.000 3.800 3.800 3.800 . 0 0 "[ ]" 1
201 1 12 G H1' 1 13 C H1' 7.000 3.000 8.000 6.037 6.037 6.037 . 0 0 "[ ]" 1
202 2 12 G H1' 2 13 C H1' 7.000 3.000 8.000 6.037 6.037 6.037 . 0 0 "[ ]" 1
203 1 12 G H1' 1 13 C H6 4.000 . 5.000 4.369 4.369 4.369 . 0 0 "[ ]" 1
204 2 12 G H1' 2 13 C H6 4.000 . 5.000 4.368 4.368 4.368 . 0 0 "[ ]" 1
205 1 12 G H8 1 13 C H6 6.000 3.000 7.000 4.521 4.521 4.521 . 0 0 "[ ]" 1
206 2 12 G H8 2 13 C H6 6.000 3.000 7.000 4.521 4.521 4.521 . 0 0 "[ ]" 1
207 1 13 C H3' 1 13 C H6 4.000 . 5.000 2.789 2.789 2.789 . 0 0 "[ ]" 1
208 2 13 C H3' 2 13 C H6 4.000 . 5.000 2.790 2.790 2.790 . 0 0 "[ ]" 1
209 1 13 C H1' 1 13 C H6 4.000 . 5.000 3.725 3.725 3.725 . 0 0 "[ ]" 1
210 2 13 C H1' 2 13 C H6 4.000 . 5.000 3.726 3.726 3.726 . 0 0 "[ ]" 1
211 1 13 C H2' 1 14 G H8 4.000 . 5.000 1.921 1.921 1.921 0.079 1 0 "[ ]" 1
212 2 13 C H2' 2 14 G H8 4.000 . 5.000 1.922 1.922 1.922 0.078 1 0 "[ ]" 1
213 1 13 C H1' 1 14 G H1' 7.000 3.000 8.000 6.239 6.239 6.239 . 0 0 "[ ]" 1
214 2 13 C H1' 2 14 G H1' 7.000 3.000 8.000 6.239 6.239 6.239 . 0 0 "[ ]" 1
215 1 13 C H1' 1 14 G H8 4.000 . 5.000 4.483 4.483 4.483 . 0 0 "[ ]" 1
216 2 13 C H1' 2 14 G H8 4.000 . 5.000 4.483 4.483 4.483 . 0 0 "[ ]" 1
217 1 14 G H3' 1 14 G H8 4.000 . 5.000 2.493 2.493 2.493 . 0 0 "[ ]" 1
218 2 14 G H3' 2 14 G H8 4.000 . 5.000 2.492 2.492 2.492 . 0 0 "[ ]" 1
219 1 14 G H1' 1 14 G H8 4.000 . 5.000 3.840 3.840 3.840 . 0 0 "[ ]" 1
220 2 14 G H1' 2 14 G H8 4.000 . 5.000 3.840 3.840 3.840 . 0 0 "[ ]" 1
221 1 14 G H2' 1 15 C H1' 4.000 . 5.000 3.767 3.767 3.767 . 0 0 "[ ]" 1
222 2 14 G H2' 2 15 C H1' 4.000 . 5.000 3.767 3.767 3.767 . 0 0 "[ ]" 1
223 1 14 G H2' 1 15 C H6 3.000 . 4.000 2.422 2.422 2.422 . 0 0 "[ ]" 1
224 2 14 G H2' 2 15 C H6 3.000 . 4.000 2.421 2.421 2.421 . 0 0 "[ ]" 1
225 1 14 G H1' 1 15 C H1' 6.000 3.000 7.000 5.306 5.306 5.306 . 0 0 "[ ]" 1
226 2 14 G H1' 2 15 C H1' 6.000 3.000 7.000 5.307 5.307 5.307 . 0 0 "[ ]" 1
227 1 14 G H8 1 15 C H5 6.000 3.000 7.000 4.004 4.004 4.004 . 0 0 "[ ]" 1
228 2 14 G H8 2 15 C H5 6.000 3.000 7.000 4.004 4.004 4.004 . 0 0 "[ ]" 1
229 1 15 C H1' 1 15 C H6 4.000 . 5.000 3.671 3.671 3.671 . 0 0 "[ ]" 1
230 2 15 C H1' 2 15 C H6 4.000 . 5.000 3.671 3.671 3.671 . 0 0 "[ ]" 1
231 1 15 C H5 1 15 C H6 3.000 . 4.000 2.445 2.445 2.445 . 0 0 "[ ]" 1
232 2 15 C H5 2 15 C H6 3.000 . 4.000 2.445 2.445 2.445 . 0 0 "[ ]" 1
233 1 15 C H2' 1 16 A H8 3.000 . 4.000 1.989 1.989 1.989 0.011 1 0 "[ ]" 1
234 2 15 C H2' 2 16 A H8 3.000 . 4.000 1.989 1.989 1.989 0.011 1 0 "[ ]" 1
235 1 15 C H1' 1 16 A H8 4.000 . 5.000 4.258 4.258 4.258 . 0 0 "[ ]" 1
236 2 15 C H1' 2 16 A H8 4.000 . 5.000 4.258 4.258 4.258 . 0 0 "[ ]" 1
237 1 16 A H1' 1 16 A H8 6.000 3.000 7.000 3.366 3.366 3.366 . 0 0 "[ ]" 1
238 2 16 A H1' 2 16 A H8 6.000 3.000 7.000 3.366 3.366 3.366 . 0 0 "[ ]" 1
239 1 16 A H1' 1 16 A H2 6.000 3.000 7.000 5.060 5.060 5.060 . 0 0 "[ ]" 1
240 2 16 A H1' 2 16 A H2 6.000 3.000 7.000 5.059 5.059 5.059 . 0 0 "[ ]" 1
241 1 16 A H2 1 16 A H8 6.000 3.000 7.000 6.227 6.227 6.227 . 0 0 "[ ]" 1
242 2 16 A H2 2 16 A H8 6.000 3.000 7.000 6.227 6.227 6.227 . 0 0 "[ ]" 1
243 1 16 A H2' 1 17 C H1' 6.000 3.000 7.000 5.534 5.534 5.534 . 0 0 "[ ]" 1
244 2 16 A H2' 2 17 C H1' 6.000 3.000 7.000 5.533 5.533 5.533 . 0 0 "[ ]" 1
245 1 16 A H2' 1 17 C H6 3.000 . 4.000 3.086 3.086 3.086 . 0 0 "[ ]" 1
246 2 16 A H2' 2 17 C H6 3.000 . 4.000 3.086 3.086 3.086 . 0 0 "[ ]" 1
247 1 16 A H1' 1 17 C H1' 6.000 3.000 7.000 6.001 6.001 6.001 . 0 0 "[ ]" 1
248 2 16 A H1' 2 17 C H1' 6.000 3.000 7.000 6.001 6.001 6.001 . 0 0 "[ ]" 1
249 1 16 A H1' 1 17 C H6 6.000 3.000 7.000 3.261 3.261 3.261 . 0 0 "[ ]" 1
250 2 16 A H1' 2 17 C H6 6.000 3.000 7.000 3.261 3.261 3.261 . 0 0 "[ ]" 1
251 1 16 A H8 1 17 C H5 4.000 . 5.000 4.714 4.714 4.714 . 0 0 "[ ]" 1
252 2 16 A H8 2 17 C H5 4.000 . 5.000 4.713 4.713 4.713 . 0 0 "[ ]" 1
253 1 16 A H2 1 17 C H1' 7.000 3.000 8.000 7.214 7.214 7.214 . 0 0 "[ ]" 1
254 2 16 A H2 2 17 C H1' 7.000 3.000 8.000 7.213 7.213 7.213 . 0 0 "[ ]" 1
255 1 17 C H3' 1 17 C H6 4.000 . 5.000 4.021 4.021 4.021 . 0 0 "[ ]" 1
256 2 17 C H3' 2 17 C H6 4.000 . 5.000 4.021 4.021 4.021 . 0 0 "[ ]" 1
257 1 17 C H1' 1 17 C H6 4.000 . 5.000 2.781 2.781 2.781 . 0 0 "[ ]" 1
258 2 17 C H1' 2 17 C H6 4.000 . 5.000 2.780 2.780 2.780 . 0 0 "[ ]" 1
259 1 17 C H5 1 17 C H6 4.000 . 5.000 2.477 2.477 2.477 . 0 0 "[ ]" 1
260 2 17 C H5 2 17 C H6 4.000 . 5.000 2.478 2.478 2.478 . 0 0 "[ ]" 1
261 1 17 C H2' 1 18 G H1' 4.000 . 5.000 3.924 3.924 3.924 . 0 0 "[ ]" 1
262 2 17 C H2' 2 18 G H1' 4.000 . 5.000 3.923 3.923 3.923 . 0 0 "[ ]" 1
263 1 17 C H2' 1 18 G H8 3.000 . 4.000 2.002 2.002 2.002 . 0 0 "[ ]" 1
264 2 17 C H2' 2 18 G H8 3.000 . 4.000 2.002 2.002 2.002 . 0 0 "[ ]" 1
265 1 17 C H1' 1 18 G H1' 6.000 3.000 7.000 5.230 5.230 5.230 . 0 0 "[ ]" 1
266 2 17 C H1' 2 18 G H1' 6.000 3.000 7.000 5.229 5.229 5.229 . 0 0 "[ ]" 1
267 1 17 C H1' 1 18 G H8 4.000 . 5.000 4.447 4.447 4.447 . 0 0 "[ ]" 1
268 2 17 C H1' 2 18 G H8 4.000 . 5.000 4.448 4.448 4.448 . 0 0 "[ ]" 1
269 1 17 C H6 1 18 G H8 6.000 3.000 7.000 5.599 5.599 5.599 . 0 0 "[ ]" 1
270 2 17 C H6 2 18 G H8 6.000 3.000 7.000 5.600 5.600 5.600 . 0 0 "[ ]" 1
271 1 18 G H3' 1 18 G H8 4.000 . 5.000 3.065 3.065 3.065 . 0 0 "[ ]" 1
272 2 18 G H3' 2 18 G H8 4.000 . 5.000 3.065 3.065 3.065 . 0 0 "[ ]" 1
273 1 18 G H2' 1 18 G H8 4.000 . 5.000 4.075 4.075 4.075 . 0 0 "[ ]" 1
274 2 18 G H2' 2 18 G H8 4.000 . 5.000 4.074 4.074 4.074 . 0 0 "[ ]" 1
275 1 18 G H1' 1 18 G H8 4.000 . 5.000 3.702 3.702 3.702 . 0 0 "[ ]" 1
276 2 18 G H1' 2 18 G H8 4.000 . 5.000 3.701 3.701 3.701 . 0 0 "[ ]" 1
277 1 18 G H3' 1 19 U H5 4.000 . 5.000 3.595 3.595 3.595 . 0 0 "[ ]" 1
278 2 18 G H3' 2 19 U H5 4.000 . 5.000 3.594 3.594 3.594 . 0 0 "[ ]" 1
279 1 18 G H3' 1 19 U H6 4.000 . 5.000 2.844 2.844 2.844 . 0 0 "[ ]" 1
280 2 18 G H3' 2 19 U H6 4.000 . 5.000 2.843 2.843 2.843 . 0 0 "[ ]" 1
281 1 18 G H2' 1 19 U H6 4.000 . 5.000 2.337 2.337 2.337 . 0 0 "[ ]" 1
282 2 18 G H2' 2 19 U H6 4.000 . 5.000 2.337 2.337 2.337 . 0 0 "[ ]" 1
283 1 18 G H1' 1 19 U H5 6.000 3.000 7.000 6.062 6.062 6.062 . 0 0 "[ ]" 1
284 2 18 G H1' 2 19 U H5 6.000 3.000 7.000 6.062 6.062 6.062 . 0 0 "[ ]" 1
285 1 18 G H1' 1 19 U H6 6.000 3.000 7.000 4.809 4.809 4.809 . 0 0 "[ ]" 1
286 2 18 G H1' 2 19 U H6 6.000 3.000 7.000 4.810 4.810 4.810 . 0 0 "[ ]" 1
287 1 18 G H8 1 19 U H5 4.000 . 5.000 4.208 4.208 4.208 . 0 0 "[ ]" 1
288 2 18 G H8 2 19 U H5 4.000 . 5.000 4.207 4.207 4.207 . 0 0 "[ ]" 1
289 1 18 G H8 1 19 U H6 6.000 3.000 7.000 4.582 4.582 4.582 . 0 0 "[ ]" 1
290 2 18 G H8 2 19 U H6 6.000 3.000 7.000 4.581 4.581 4.581 . 0 0 "[ ]" 1
291 1 19 U H2' 1 19 U H5 4.000 . 5.000 4.433 4.433 4.433 . 0 0 "[ ]" 1
292 2 19 U H2' 2 19 U H5 4.000 . 5.000 4.432 4.432 4.432 . 0 0 "[ ]" 1
293 1 19 U H1' 1 19 U H6 6.000 3.000 7.000 3.637 3.637 3.637 . 0 0 "[ ]" 1
294 2 19 U H1' 2 19 U H6 6.000 3.000 7.000 3.637 3.637 3.637 . 0 0 "[ ]" 1
295 1 19 U H5 1 19 U H6 4.000 . 5.000 2.356 2.356 2.356 . 0 0 "[ ]" 1
296 2 19 U H5 2 19 U H6 4.000 . 5.000 2.355 2.355 2.355 . 0 0 "[ ]" 1
297 1 20 U H3' 1 20 U H5 4.000 . 5.000 4.000 4.000 4.000 . 0 0 "[ ]" 1
298 2 20 U H3' 2 20 U H5 4.000 . 5.000 3.999 3.999 3.999 . 0 0 "[ ]" 1
299 1 20 U H3' 1 20 U H6 4.000 . 5.000 2.217 2.217 2.217 . 0 0 "[ ]" 1
300 2 20 U H3' 2 20 U H6 4.000 . 5.000 2.218 2.218 2.218 . 0 0 "[ ]" 1
301 1 20 U H2' 1 20 U H5 4.000 . 5.000 4.215 4.215 4.215 . 0 0 "[ ]" 1
302 2 20 U H2' 2 20 U H5 4.000 . 5.000 4.215 4.215 4.215 . 0 0 "[ ]" 1
303 1 20 U H2' 1 20 U H6 6.000 3.000 7.000 3.086 3.086 3.086 . 0 0 "[ ]" 1
304 2 20 U H2' 2 20 U H6 6.000 3.000 7.000 3.087 3.087 3.087 . 0 0 "[ ]" 1
305 1 20 U H1' 1 20 U H5 6.000 3.000 7.000 5.401 5.401 5.401 . 0 0 "[ ]" 1
306 2 20 U H1' 2 20 U H5 6.000 3.000 7.000 5.400 5.400 5.400 . 0 0 "[ ]" 1
307 1 20 U H1' 1 20 U H6 4.000 . 5.000 3.727 3.727 3.727 . 0 0 "[ ]" 1
308 2 20 U H1' 2 20 U H6 4.000 . 5.000 3.727 3.727 3.727 . 0 0 "[ ]" 1
309 1 20 U H5 1 20 U H6 3.000 . 4.000 2.391 2.391 2.391 . 0 0 "[ ]" 1
310 2 20 U H5 2 20 U H6 3.000 . 4.000 2.390 2.390 2.390 . 0 0 "[ ]" 1
311 1 20 U H3' 1 21 G H8 6.000 3.000 7.000 3.496 3.496 3.496 . 0 0 "[ ]" 1
312 2 20 U H3' 2 21 G H8 6.000 3.000 7.000 3.497 3.497 3.497 . 0 0 "[ ]" 1
313 1 20 U H2' 1 21 G H8 3.000 . 4.000 2.087 2.087 2.087 . 0 0 "[ ]" 1
314 2 20 U H2' 2 21 G H8 3.000 . 4.000 2.087 2.087 2.087 . 0 0 "[ ]" 1
315 1 20 U H1' 1 21 G H1' 6.000 3.000 7.000 5.466 5.466 5.466 . 0 0 "[ ]" 1
316 2 20 U H1' 2 21 G H1' 6.000 3.000 7.000 5.466 5.466 5.466 . 0 0 "[ ]" 1
317 1 20 U H1' 1 21 G H8 6.000 3.000 7.000 4.729 4.729 4.729 . 0 0 "[ ]" 1
318 2 20 U H1' 2 21 G H8 6.000 3.000 7.000 4.730 4.730 4.730 . 0 0 "[ ]" 1
319 1 21 G H3' 1 21 G H8 6.000 3.000 7.000 2.976 2.976 2.976 0.024 1 0 "[ ]" 1
320 2 21 G H3' 2 21 G H8 6.000 3.000 7.000 2.977 2.977 2.977 0.023 1 0 "[ ]" 1
321 1 21 G H1' 1 21 G H8 3.000 . 4.000 3.515 3.515 3.515 . 0 0 "[ ]" 1
322 2 21 G H1' 2 21 G H8 3.000 . 4.000 3.514 3.514 3.514 . 0 0 "[ ]" 1
323 1 21 G H1' 1 22 C H1' 7.000 3.000 8.000 5.608 5.608 5.608 . 0 0 "[ ]" 1
324 2 21 G H1' 2 22 C H1' 7.000 3.000 8.000 5.608 5.608 5.608 . 0 0 "[ ]" 1
325 1 21 G H8 1 22 C H6 6.000 3.000 7.000 5.816 5.816 5.816 . 0 0 "[ ]" 1
326 2 21 G H8 2 22 C H6 6.000 3.000 7.000 5.815 5.815 5.815 . 0 0 "[ ]" 1
327 1 21 G H2' 1 22 C H5 6.000 3.000 7.000 3.185 3.185 3.185 . 0 0 "[ ]" 1
328 2 21 G H2' 2 22 C H5 6.000 3.000 7.000 3.185 3.185 3.185 . 0 0 "[ ]" 1
329 1 21 G H2' 1 22 C H6 4.000 . 5.000 2.558 2.558 2.558 . 0 0 "[ ]" 1
330 2 21 G H2' 2 22 C H6 4.000 . 5.000 2.558 2.558 2.558 . 0 0 "[ ]" 1
331 1 21 G H1' 1 22 C H3' 7.000 3.000 8.000 6.748 6.748 6.748 . 0 0 "[ ]" 1
332 2 21 G H1' 2 22 C H3' 7.000 3.000 8.000 6.748 6.748 6.748 . 0 0 "[ ]" 1
333 1 21 G H1' 1 22 C H5 6.000 3.000 7.000 5.648 5.648 5.648 . 0 0 "[ ]" 1
334 2 21 G H1' 2 22 C H5 6.000 3.000 7.000 5.649 5.649 5.649 . 0 0 "[ ]" 1
335 1 21 G H1' 1 22 C H6 6.000 3.000 7.000 5.280 5.280 5.280 . 0 0 "[ ]" 1
336 2 21 G H1' 2 22 C H6 6.000 3.000 7.000 5.279 5.279 5.279 . 0 0 "[ ]" 1
337 1 21 G H8 1 22 C H5 7.000 3.000 8.000 4.829 4.829 4.829 . 0 0 "[ ]" 1
338 2 21 G H8 2 22 C H5 7.000 3.000 8.000 4.829 4.829 4.829 . 0 0 "[ ]" 1
339 1 22 C H3' 1 22 C H5 4.000 . 5.000 4.197 4.197 4.197 . 0 0 "[ ]" 1
340 2 22 C H3' 2 22 C H5 4.000 . 5.000 4.197 4.197 4.197 . 0 0 "[ ]" 1
341 1 22 C H3' 1 22 C H6 3.000 . 4.000 2.053 2.053 2.053 . 0 0 "[ ]" 1
342 2 22 C H3' 2 22 C H6 3.000 . 4.000 2.053 2.053 2.053 . 0 0 "[ ]" 1
343 1 22 C H1' 1 22 C H5 6.000 3.000 7.000 5.384 5.384 5.384 . 0 0 "[ ]" 1
344 2 22 C H1' 2 22 C H5 6.000 3.000 7.000 5.384 5.384 5.384 . 0 0 "[ ]" 1
345 1 22 C H1' 1 22 C H6 4.000 . 5.000 3.744 3.744 3.744 . 0 0 "[ ]" 1
346 2 22 C H1' 2 22 C H6 4.000 . 5.000 3.744 3.744 3.744 . 0 0 "[ ]" 1
347 1 22 C H5 1 22 C H6 3.000 . 4.000 2.346 2.346 2.346 . 0 0 "[ ]" 1
348 2 22 C H5 2 22 C H6 3.000 . 4.000 2.346 2.346 2.346 . 0 0 "[ ]" 1
349 1 22 C H2' 1 23 C H1' 6.000 3.000 7.000 3.916 3.916 3.916 . 0 0 "[ ]" 1
350 2 22 C H2' 2 23 C H1' 6.000 3.000 7.000 3.917 3.917 3.917 . 0 0 "[ ]" 1
351 1 22 C H2' 1 23 C H5 4.000 . 5.000 3.817 3.817 3.817 . 0 0 "[ ]" 1
352 2 22 C H2' 2 23 C H5 4.000 . 5.000 3.817 3.817 3.817 . 0 0 "[ ]" 1
353 1 22 C H2' 1 23 C H6 3.000 . 4.000 1.943 1.943 1.943 0.057 1 0 "[ ]" 1
354 2 22 C H2' 2 23 C H6 3.000 . 4.000 1.943 1.943 1.943 0.057 1 0 "[ ]" 1
355 1 22 C H1' 1 23 C H6 4.000 . 5.000 4.329 4.329 4.329 . 0 0 "[ ]" 1
356 2 22 C H1' 2 23 C H6 4.000 . 5.000 4.329 4.329 4.329 . 0 0 "[ ]" 1
357 1 22 C H3' 1 23 C H6 6.000 3.000 7.000 2.951 2.951 2.951 0.049 1 0 "[ ]" 1
358 2 22 C H3' 2 23 C H6 3.000 . 4.000 2.952 2.952 2.952 . 0 0 "[ ]" 1
359 1 22 C H6 1 23 C H6 7.000 3.000 8.000 3.757 3.757 3.757 . 0 0 "[ ]" 1
360 2 22 C H6 2 23 C H6 7.000 3.000 8.000 3.757 3.757 3.757 . 0 0 "[ ]" 1
361 1 23 C H3' 1 23 C H5 4.000 . 5.000 4.083 4.083 4.083 . 0 0 "[ ]" 1
362 2 23 C H3' 2 23 C H5 4.000 . 5.000 4.084 4.084 4.084 . 0 0 "[ ]" 1
363 1 23 C H3' 1 23 C H6 3.000 . 4.000 2.504 2.504 2.504 . 0 0 "[ ]" 1
364 2 23 C H3' 2 23 C H6 3.000 . 4.000 2.504 2.504 2.504 . 0 0 "[ ]" 1
365 1 23 C H2' 1 23 C H5 6.000 3.000 7.000 4.764 4.764 4.764 . 0 0 "[ ]" 1
366 2 23 C H2' 2 23 C H5 6.000 3.000 7.000 4.764 4.764 4.764 . 0 0 "[ ]" 1
367 1 23 C H2' 1 23 C H6 4.000 . 5.000 3.600 3.600 3.600 . 0 0 "[ ]" 1
368 2 23 C H2' 2 23 C H6 4.000 . 5.000 3.600 3.600 3.600 . 0 0 "[ ]" 1
369 1 23 C H1' 1 23 C H5 6.000 3.000 7.000 5.423 5.423 5.423 . 0 0 "[ ]" 1
370 2 23 C H1' 2 23 C H5 6.000 3.000 7.000 5.423 5.423 5.423 . 0 0 "[ ]" 1
371 1 23 C H1' 1 23 C H6 4.000 . 5.000 3.678 3.678 3.678 . 0 0 "[ ]" 1
372 2 23 C H1' 2 23 C H6 4.000 . 5.000 3.679 3.679 3.679 . 0 0 "[ ]" 1
373 1 23 C H5 1 23 C H6 3.000 . 4.000 2.407 2.407 2.407 . 0 0 "[ ]" 1
374 2 23 C H5 2 23 C H6 3.000 . 4.000 2.406 2.406 2.406 . 0 0 "[ ]" 1
375 1 4 A H2 1 21 G H1' 6.000 3.000 7.000 4.869 4.869 4.869 . 0 0 "[ ]" 1
376 2 4 A H2 2 21 G H1' 7.000 3.000 8.000 4.869 4.869 4.869 . 0 0 "[ ]" 1
377 1 5 A H2 1 20 U H1' 6.000 3.000 7.000 4.133 4.133 4.133 . 0 0 "[ ]" 1
378 2 5 A H2 2 20 U H1' 6.000 3.000 7.000 4.132 4.132 4.132 . 0 0 "[ ]" 1
379 1 8 A H2 1 16 A H2 6.000 3.000 7.000 3.533 3.533 3.533 . 0 0 "[ ]" 1
380 2 8 A H2 2 16 A H2 6.000 3.000 7.000 3.533 3.533 3.533 . 0 0 "[ ]" 1
381 1 8 A H2 1 16 A H8 6.000 3.000 7.000 6.309 6.309 6.309 . 0 0 "[ ]" 1
382 2 8 A H2 2 16 A H8 6.000 3.000 7.000 6.309 6.309 6.309 . 0 0 "[ ]" 1
383 1 8 A H2 1 16 A H1' 6.000 3.000 7.000 4.742 4.742 4.742 . 0 0 "[ ]" 1
384 2 8 A H2 2 16 A H1' 6.000 3.000 7.000 4.742 4.742 4.742 . 0 0 "[ ]" 1
385 1 8 A H2' 2 9 A H8 4.000 . 5.000 4.639 4.639 4.639 . 0 0 "[ ]" 1
386 1 9 A H8 2 8 A H2' 4.000 . 5.000 4.282 4.282 4.282 . 0 0 "[ ]" 1
387 1 8 A H1' 2 9 A H1' 5.000 3.000 6.000 5.397 5.397 5.397 . 0 0 "[ ]" 1
388 1 9 A H1' 2 8 A H1' 5.000 3.000 6.000 5.063 5.063 5.063 . 0 0 "[ ]" 1
389 1 8 A H1' 2 9 A H8 4.000 . 5.000 3.944 3.944 3.944 . 0 0 "[ ]" 1
390 1 9 A H8 2 8 A H1' 4.000 . 5.000 3.337 3.337 3.337 . 0 0 "[ ]" 1
391 1 8 A H2 2 9 A H2 6.000 3.000 7.000 3.426 3.426 3.426 . 0 0 "[ ]" 1
392 1 9 A H2 2 8 A H2 6.000 3.000 7.000 3.010 3.010 3.010 . 0 0 "[ ]" 1
393 1 8 A H1' 2 9 A H2 4.000 . 5.000 4.076 4.076 4.076 . 0 0 "[ ]" 1
394 1 9 A H2 2 8 A H1' 4.000 . 5.000 4.425 4.425 4.425 . 0 0 "[ ]" 1
395 1 9 A H2 2 16 A H1' 4.000 . 5.000 3.312 3.312 3.312 . 0 0 "[ ]" 1
396 1 16 A H1' 2 9 A H2 4.000 . 5.000 3.474 3.474 3.474 . 0 0 "[ ]" 1
397 1 9 A H2 2 16 A H2 3.000 . 4.000 5.352 5.352 5.352 1.352 1 1 [+] 1
398 1 16 A H2 2 9 A H2 7.000 3.000 8.000 5.554 5.554 5.554 . 0 0 "[ ]" 1
399 1 9 A H2 2 16 A H8 6.000 3.000 7.000 5.925 5.925 5.925 . 0 0 "[ ]" 1
400 1 16 A H8 2 9 A H2 6.000 3.000 7.000 6.339 6.339 6.339 . 0 0 "[ ]" 1
401 1 9 A H8 2 17 C H6 4.000 . 5.000 4.898 4.898 4.898 . 0 0 "[ ]" 1
402 1 17 C H6 2 9 A H8 4.000 . 5.000 5.323 5.323 5.323 0.323 1 0 "[ ]" 1
403 1 9 A H8 2 17 C H1' 4.000 . 5.000 3.271 3.271 3.271 . 0 0 "[ ]" 1
404 1 17 C H1' 2 9 A H8 4.000 . 5.000 3.404 3.404 3.404 . 0 0 "[ ]" 1
405 1 9 A H2 2 17 C H1' 6.000 3.000 7.000 6.411 6.411 6.411 . 0 0 "[ ]" 1
406 1 17 C H1' 2 9 A H2 6.000 3.000 7.000 5.892 5.892 5.892 . 0 0 "[ ]" 1
407 1 1 G H1 1 2 G H1 6.000 3.000 7.000 3.805 3.805 3.805 . 0 0 "[ ]" 1
408 2 1 G H1 2 2 G H1 6.000 3.000 7.000 3.805 3.805 3.805 . 0 0 "[ ]" 1
409 1 1 G H1 1 22 C H41 6.000 3.000 7.000 4.182 4.182 4.182 . 0 0 "[ ]" 1
410 2 1 G H1 2 22 C H41 6.000 3.000 7.000 4.182 4.182 4.182 . 0 0 "[ ]" 1
411 1 1 G H1 1 22 C H5 6.000 3.000 7.000 6.078 6.078 6.078 . 0 0 "[ ]" 1
412 2 1 G H1 2 22 C H5 6.000 3.000 7.000 6.078 6.078 6.078 . 0 0 "[ ]" 1
413 1 2 G H1 1 3 C H41 6.000 3.000 7.000 4.403 4.403 4.403 . 0 0 "[ ]" 1
414 2 2 G H1 2 3 C H41 6.000 3.000 7.000 4.402 4.402 4.402 . 0 0 "[ ]" 1
415 1 2 G H1 1 3 C H5 6.000 3.000 7.000 5.896 5.896 5.896 . 0 0 "[ ]" 1
416 2 2 G H1 2 3 C H5 6.000 3.000 7.000 5.894 5.894 5.894 . 0 0 "[ ]" 1
417 1 2 G H1 1 21 G H1 6.000 3.000 7.000 3.258 3.258 3.258 . 0 0 "[ ]" 1
418 2 2 G H1 2 21 G H1 6.000 3.000 7.000 3.257 3.257 3.257 . 0 0 "[ ]" 1
419 1 3 C H41 1 21 G H1 6.000 3.000 7.000 2.779 2.779 2.779 0.221 1 0 "[ ]" 1
420 2 3 C H41 2 21 G H1 6.000 3.000 7.000 2.779 2.779 2.779 0.221 1 0 "[ ]" 1
421 1 3 C H42 1 21 G H1 6.000 3.000 7.000 4.278 4.278 4.278 . 0 0 "[ ]" 1
422 2 3 C H42 2 21 G H1 6.000 3.000 7.000 4.278 4.278 4.278 . 0 0 "[ ]" 1
423 1 3 C H5 1 21 G H1 6.000 3.000 7.000 5.168 5.168 5.168 . 0 0 "[ ]" 1
424 2 3 C H5 2 21 G H1 6.000 3.000 7.000 5.166 5.166 5.166 . 0 0 "[ ]" 1
425 1 3 C H41 1 20 U H3 6.000 3.000 7.000 5.475 5.475 5.475 . 0 0 "[ ]" 1
426 2 3 C H41 2 20 U H3 6.000 3.000 7.000 5.474 5.474 5.474 . 0 0 "[ ]" 1
427 1 4 A H2 1 20 U H3 6.000 3.000 7.000 2.960 2.960 2.960 0.040 1 0 "[ ]" 1
428 2 4 A H2 2 20 U H3 6.000 3.000 7.000 2.960 2.960 2.960 0.040 1 0 "[ ]" 1
429 1 4 A H61 1 20 U H5 6.000 3.000 7.000 4.414 4.414 4.414 . 0 0 "[ ]" 1
430 2 4 A H61 2 20 U H5 6.000 3.000 7.000 4.414 4.414 4.414 . 0 0 "[ ]" 1
431 1 4 A H62 1 20 U H5 6.000 3.000 7.000 6.008 6.008 6.008 . 0 0 "[ ]" 1
432 2 4 A H62 2 20 U H5 6.000 3.000 7.000 6.008 6.008 6.008 . 0 0 "[ ]" 1
433 1 4 A H2 1 19 U H3 6.000 3.000 7.000 5.259 5.259 5.259 . 0 0 "[ ]" 1
434 2 4 A H2 2 19 U H3 6.000 3.000 7.000 5.258 5.258 5.258 . 0 0 "[ ]" 1
435 1 4 A H61 1 20 U H6 6.000 3.000 7.000 6.034 6.034 6.034 . 0 0 "[ ]" 1
436 2 4 A H61 2 20 U H6 6.000 3.000 7.000 6.032 6.032 6.032 . 0 0 "[ ]" 1
437 1 5 A H2 1 19 U H3 6.000 3.000 7.000 2.947 2.947 2.947 0.053 1 0 "[ ]" 1
438 2 5 A H2 2 19 U H3 6.000 3.000 7.000 2.946 2.946 2.946 0.054 1 0 "[ ]" 1
439 1 5 A H2 1 20 U H3 6.000 3.000 7.000 3.959 3.959 3.959 . 0 0 "[ ]" 1
440 2 5 A H2 2 20 U H3 6.000 3.000 7.000 3.960 3.960 3.960 . 0 0 "[ ]" 1
441 1 10 G H1 2 15 C H41 6.000 3.000 7.000 3.192 3.192 3.192 . 0 0 "[ ]" 1
442 1 15 C H41 2 10 G H1 6.000 3.000 7.000 3.355 3.355 3.355 . 0 0 "[ ]" 1
443 1 10 G H1 2 15 C H42 6.000 3.000 7.000 4.466 4.466 4.466 . 0 0 "[ ]" 1
444 1 15 C H42 2 10 G H1 6.000 3.000 7.000 4.797 4.797 4.797 . 0 0 "[ ]" 1
445 1 10 G H1 2 15 C H5 6.000 3.000 7.000 4.956 4.956 4.956 . 0 0 "[ ]" 1
446 1 15 C H5 2 10 G H1 6.000 3.000 7.000 5.471 5.471 5.471 . 0 0 "[ ]" 1
447 1 10 G H1 2 15 C H6 6.000 3.000 7.000 5.137 5.137 5.137 . 0 0 "[ ]" 1
448 1 15 C H6 2 10 G H1 6.000 3.000 7.000 5.698 5.698 5.698 . 0 0 "[ ]" 1
449 1 10 G H1 2 14 G H1 6.000 3.000 7.000 3.024 3.024 3.024 . 0 0 "[ ]" 1
450 1 14 G H1 2 10 G H1 6.000 3.000 7.000 3.417 3.417 3.417 . 0 0 "[ ]" 1
451 1 11 C H41 1 12 G H1 6.000 3.000 7.000 3.081 3.081 3.081 . 0 0 "[ ]" 1
452 2 11 C H41 2 12 G H1 6.000 3.000 7.000 3.080 3.080 3.080 . 0 0 "[ ]" 1
453 1 11 C H42 1 12 G H1 6.000 3.000 7.000 3.166 3.166 3.166 . 0 0 "[ ]" 1
454 2 11 C H42 2 12 G H1 6.000 3.000 7.000 3.166 3.166 3.166 . 0 0 "[ ]" 1
455 1 11 C H5 1 12 G H1 6.000 3.000 7.000 4.884 4.884 4.884 . 0 0 "[ ]" 1
456 2 11 C H5 2 12 G H1 6.000 3.000 7.000 4.884 4.884 4.884 . 0 0 "[ ]" 1
457 1 11 C H6 1 12 G H1 6.000 3.000 7.000 6.608 6.608 6.608 . 0 0 "[ ]" 1
458 2 11 C H6 2 12 G H1 6.000 3.000 7.000 6.608 6.608 6.608 . 0 0 "[ ]" 1
459 1 12 G H1 2 12 G H1 4.000 . 5.000 3.626 3.626 3.626 . 0 0 "[ ]" 1
460 1 12 G H1 2 12 G H21 4.000 . 5.000 4.217 4.217 4.217 . 0 0 "[ ]" 1
461 1 12 G H21 2 12 G H1 4.000 . 5.000 4.539 4.539 4.539 . 0 0 "[ ]" 1
462 1 12 G H1 1 13 C H41 6.000 3.000 7.000 3.712 3.712 3.712 . 0 0 "[ ]" 1
463 2 12 G H1 2 13 C H41 6.000 3.000 7.000 3.711 3.711 3.711 . 0 0 "[ ]" 1
464 1 12 G H1 1 13 C H42 6.000 3.000 7.000 4.159 4.159 4.159 . 0 0 "[ ]" 1
465 2 12 G H1 2 13 C H42 6.000 3.000 7.000 4.159 4.159 4.159 . 0 0 "[ ]" 1
466 1 12 G H1 1 13 C H5 6.000 3.000 7.000 4.737 4.737 4.737 . 0 0 "[ ]" 1
467 2 12 G H1 2 13 C H5 6.000 3.000 7.000 4.737 4.737 4.737 . 0 0 "[ ]" 1
468 1 13 C H41 1 14 G H1 6.000 3.000 7.000 4.044 4.044 4.044 . 0 0 "[ ]" 1
469 2 13 C H41 2 14 G H1 6.000 3.000 7.000 4.045 4.045 4.045 . 0 0 "[ ]" 1
470 1 13 C H42 1 14 G H1 6.000 3.000 7.000 4.983 4.983 4.983 . 0 0 "[ ]" 1
471 2 13 C H42 2 14 G H1 6.000 3.000 7.000 4.983 4.983 4.983 . 0 0 "[ ]" 1
472 1 13 C H5 1 14 G H1 6.000 3.000 7.000 6.248 6.248 6.248 . 0 0 "[ ]" 1
473 2 13 C H5 2 14 G H1 6.000 3.000 7.000 6.249 6.249 6.249 . 0 0 "[ ]" 1
474 1 19 U H3 1 20 U H3 6.000 3.000 7.000 3.356 3.356 3.356 . 0 0 "[ ]" 1
475 2 19 U H3 2 20 U H3 6.000 3.000 7.000 3.356 3.356 3.356 . 0 0 "[ ]" 1
476 1 19 U H3 1 20 U H5 6.000 3.000 7.000 4.838 4.838 4.838 . 0 0 "[ ]" 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 46
_Distance_constraint_stats_list.Viol_count 30
_Distance_constraint_stats_list.Viol_total 10.780
_Distance_constraint_stats_list.Viol_max 1.488
_Distance_constraint_stats_list.Viol_rms 0.3999
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2344
_Distance_constraint_stats_list.Viol_average_violations_only 0.3593
_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 0.061 0.028 1 0 "[ ]"
1 2 G 0.029 0.029 1 0 "[ ]"
1 3 C 0.022 0.022 1 0 "[ ]"
1 4 A 0.066 0.066 1 0 "[ ]"
1 5 A 0.004 0.004 1 0 "[ ]"
1 6 U 0.037 0.037 1 0 "[ ]"
1 10 G 0.552 0.298 1 0 "[ ]"
1 11 C 2.614 0.937 1 1 [+]
1 12 G 3.218 1.488 1 1 [+]
1 13 C 2.670 1.286 1 1 [+]
1 14 G 1.323 0.686 1 1 [+]
1 15 C 0.000 0.000 . 0 "[ ]"
1 18 G 0.037 0.037 1 0 "[ ]"
1 19 U 0.004 0.004 1 0 "[ ]"
1 20 U 0.066 0.066 1 0 "[ ]"
1 21 G 0.022 0.022 1 0 "[ ]"
1 22 C 0.029 0.029 1 0 "[ ]"
1 23 C 0.061 0.028 1 0 "[ ]"
2 1 G 0.062 0.028 1 0 "[ ]"
2 2 G 0.029 0.029 1 0 "[ ]"
2 3 C 0.021 0.021 1 0 "[ ]"
2 4 A 0.067 0.067 1 0 "[ ]"
2 5 A 0.004 0.004 1 0 "[ ]"
2 10 G 0.000 0.000 . 0 "[ ]"
2 11 C 1.323 0.686 1 1 [+]
2 12 G 2.670 1.286 1 1 [+]
2 13 C 3.218 1.488 1 1 [+]
2 14 G 2.614 0.937 1 1 [+]
2 15 C 0.552 0.298 1 0 "[ ]"
2 19 U 0.004 0.004 1 0 "[ ]"
2 20 U 0.067 0.067 1 0 "[ ]"
2 21 G 0.021 0.021 1 0 "[ ]"
2 22 C 0.029 0.029 1 0 "[ ]"
2 23 C 0.062 0.028 1 0 "[ ]"
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 23 C N4 3.010 2.810 3.310 2.794 2.794 2.794 0.016 1 0 "[ ]" 2
2 1 1 G N1 1 23 C N3 3.050 2.850 3.350 2.822 2.822 2.822 0.028 1 0 "[ ]" 2
3 1 1 G N2 1 23 C O2 2.960 2.760 3.260 2.743 2.743 2.743 0.017 1 0 "[ ]" 2
4 1 2 G O6 1 22 C N4 3.010 2.810 3.310 2.781 2.781 2.781 0.029 1 0 "[ ]" 2
5 1 2 G N1 1 22 C N3 3.050 2.850 3.350 2.856 2.856 2.856 . 0 0 "[ ]" 2
6 1 2 G N2 1 22 C O2 2.960 2.760 3.260 2.800 2.800 2.800 . 0 0 "[ ]" 2
7 1 3 C N4 1 21 G O6 3.010 2.810 3.310 2.851 2.851 2.851 . 0 0 "[ ]" 2
8 1 3 C N3 1 21 G N1 3.050 2.850 3.350 2.874 2.874 2.874 . 0 0 "[ ]" 2
9 1 3 C O2 1 21 G N2 2.960 2.760 3.260 2.738 2.738 2.738 0.022 1 0 "[ ]" 2
10 1 4 A N6 1 20 U O4 3.050 2.850 3.350 2.784 2.784 2.784 0.066 1 0 "[ ]" 2
11 1 4 A N1 1 20 U N3 2.920 2.720 3.220 2.940 2.940 2.940 . 0 0 "[ ]" 2
12 1 5 A N6 1 19 U O4 3.050 2.850 3.350 2.846 2.846 2.846 0.004 1 0 "[ ]" 2
13 1 5 A N1 1 19 U N3 2.919 2.719 3.219 2.933 2.933 2.933 . 0 0 "[ ]" 2
14 2 1 G O6 2 23 C N4 3.010 2.810 3.310 2.794 2.794 2.794 0.016 1 0 "[ ]" 2
15 2 1 G N1 2 23 C N3 3.050 2.850 3.350 2.822 2.822 2.822 0.028 1 0 "[ ]" 2
16 2 1 G N2 2 23 C O2 2.960 2.760 3.260 2.742 2.742 2.742 0.018 1 0 "[ ]" 2
17 2 2 G O6 2 22 C N4 3.010 2.810 3.310 2.781 2.781 2.781 0.029 1 0 "[ ]" 2
18 2 2 G N1 2 22 C N3 3.050 2.850 3.350 2.857 2.857 2.857 . 0 0 "[ ]" 2
19 2 2 G N2 2 22 C O2 2.960 2.760 3.260 2.800 2.800 2.800 . 0 0 "[ ]" 2
20 2 3 C N4 2 21 G O6 3.010 2.810 3.310 2.852 2.852 2.852 . 0 0 "[ ]" 2
21 2 3 C N3 2 21 G N1 3.050 2.850 3.350 2.873 2.873 2.873 . 0 0 "[ ]" 2
22 2 3 C O2 2 21 G N2 2.960 2.760 3.260 2.739 2.739 2.739 0.021 1 0 "[ ]" 2
23 2 4 A N6 2 20 U O4 3.050 2.850 3.350 2.783 2.783 2.783 0.067 1 0 "[ ]" 2
24 2 4 A N1 2 20 U N3 2.920 2.720 3.220 2.940 2.940 2.940 . 0 0 "[ ]" 2
25 2 5 A N6 2 19 U O4 3.050 2.850 3.350 2.846 2.846 2.846 0.004 1 0 "[ ]" 2
26 2 5 A N1 2 19 U N3 2.942 2.742 3.242 2.933 2.933 2.933 . 0 0 "[ ]" 2
27 1 10 G O6 2 15 C N4 3.010 2.810 3.310 2.768 2.768 2.768 0.042 1 0 "[ ]" 2
28 1 10 G N1 2 15 C N3 3.050 2.850 3.350 2.637 2.637 2.637 0.213 1 0 "[ ]" 2
29 1 10 G N2 2 15 C O2 2.960 2.760 3.260 2.462 2.462 2.462 0.298 1 0 "[ ]" 2
30 1 11 C N4 2 14 G O6 3.010 2.810 3.310 1.889 1.889 1.889 0.921 1 1 [+] 2
31 1 11 C N3 2 14 G N1 3.050 2.850 3.350 1.913 1.913 1.913 0.937 1 1 [+] 2
32 1 11 C O2 2 14 G N2 2.960 2.760 3.260 2.004 2.004 2.004 0.756 1 1 [+] 2
33 1 12 G O6 2 13 C N4 3.010 2.810 3.310 2.147 2.147 2.147 0.663 1 1 [+] 2
34 1 12 G N1 2 13 C N3 3.050 2.850 3.350 1.783 1.783 1.783 1.067 1 1 [+] 2
35 1 12 G N2 2 13 C O2 2.960 2.760 3.260 1.272 1.272 1.272 1.488 1 1 [+] 2
36 1 13 C N4 2 12 G O6 3.010 2.810 3.310 2.304 2.304 2.304 0.506 1 1 [+] 2
37 1 13 C N3 2 12 G N1 3.050 2.850 3.350 1.972 1.972 1.972 0.878 1 1 [+] 2
38 1 13 C O2 2 12 G N2 2.960 2.760 3.130 1.474 1.474 1.474 1.286 1 1 [+] 2
39 1 14 G O6 2 11 C N4 3.010 2.810 3.310 2.124 2.124 2.124 0.686 1 1 [+] 2
40 1 14 G N1 2 11 C N3 3.050 2.850 3.350 2.374 2.374 2.374 0.476 1 0 "[ ]" 2
41 1 14 G N2 2 11 C O2 2.960 2.760 3.260 2.599 2.599 2.599 0.161 1 0 "[ ]" 2
42 1 15 C N4 2 10 G O6 3.010 2.810 3.310 3.085 3.085 3.085 . 0 0 "[ ]" 2
43 1 15 C N3 2 10 G N1 3.050 2.850 3.350 3.069 3.069 3.069 . 0 0 "[ ]" 2
44 1 15 C O2 2 10 G N2 2.960 2.760 3.150 2.976 2.976 2.976 . 0 0 "[ ]" 2
45 1 6 U N3 1 18 G O6 3.000 2.800 3.300 2.763 2.763 2.763 0.037 1 0 "[ ]" 2
46 1 6 U O2 1 18 G N1 2.820 2.620 3.000 2.812 2.812 2.812 . 0 0 "[ ]" 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 2
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.037
_Distance_constraint_stats_list.Viol_max 0.037
_Distance_constraint_stats_list.Viol_rms 0.0328
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0185
_Distance_constraint_stats_list.Viol_average_violations_only 0.0370
_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
2 6 U 0.037 0.037 1 0 "[ ]"
2 18 G 0.037 0.037 1 0 "[ ]"
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 2 6 U N3 2 18 G O6 3.000 2.800 3.300 2.763 2.763 2.763 0.037 1 0 "[ ]" 3
2 2 6 U O2 2 18 G N1 2.820 2.620 3.000 2.811 2.811 2.811 . 0 0 "[ ]" 3
stop_
save_
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