NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
375915 |
1f9l   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1f9l
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 291
_Distance_constraint_stats_list.Viol_count 25
_Distance_constraint_stats_list.Viol_total 1.572
_Distance_constraint_stats_list.Viol_max 0.369
_Distance_constraint_stats_list.Viol_rms 0.0281
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0629
_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 0.115 0.092 1 0 "[ ]"
1 2 G 0.159 0.092 1 0 "[ ]"
1 3 C 0.091 0.044 1 0 "[ ]"
1 4 G 0.123 0.075 1 0 "[ ]"
1 5 A 0.744 0.369 1 0 "[ ]"
1 6 A 0.035 0.018 1 0 "[ ]"
1 7 G 0.077 0.057 1 0 "[ ]"
1 8 U 0.113 0.113 1 0 "[ ]"
1 9 C 0.126 0.113 1 0 "[ ]"
1 10 G 0.000 0.000 . 0 "[ ]"
1 11 A 0.000 0.000 . 0 "[ ]"
1 12 A 0.000 0.000 . 0 "[ ]"
1 13 A 0.007 0.007 1 0 "[ ]"
1 14 G 0.000 0.000 . 0 "[ ]"
1 15 A 0.110 0.044 1 0 "[ ]"
1 16 U 0.141 0.044 1 0 "[ ]"
1 17 G 0.069 0.041 1 0 "[ ]"
1 18 G 0.027 0.027 1 0 "[ ]"
1 19 C 0.213 0.172 1 0 "[ ]"
1 20 G 0.172 0.172 1 0 "[ ]"
1 21 C 0.056 0.056 1 0 "[ ]"
1 22 C 0.056 0.056 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 2 G H1 1 20 G H1 1.800 . 5.000 3.621 3.621 3.621 . 0 0 "[ ]" 1
2 1 7 G H1 1 8 U H3 1.800 . 5.000 3.512 3.512 3.512 . 0 0 "[ ]" 1
3 1 8 U H3 1 16 U H3 1.800 . 5.000 3.595 3.595 3.595 . 0 0 "[ ]" 1
4 1 8 U H3 1 14 G H1 1.800 . 5.000 4.176 4.176 4.176 . 0 0 "[ ]" 1
5 1 10 G H1 1 14 G H1 1.800 . 5.000 4.123 4.123 4.123 . 0 0 "[ ]" 1
6 1 7 G H1 1 16 U H3 . 2.500 2.900 2.498 2.498 2.498 0.002 1 0 "[ ]" 1
7 1 1 G H1' 1 1 G H8 2.000 . 4.000 3.918 3.918 3.918 . 0 0 "[ ]" 1
8 1 1 G H2' 1 1 G H8 2.000 . 4.000 2.767 2.767 2.767 . 0 0 "[ ]" 1
9 1 1 G H1' 1 1 G H3' 2.000 . 4.000 3.960 3.960 3.960 . 0 0 "[ ]" 1
10 1 1 G H1' 1 1 G H4' 2.000 . 4.000 3.211 3.211 3.211 . 0 0 "[ ]" 1
11 1 1 G H3' 1 1 G H8 2.000 . 4.000 2.561 2.561 2.561 . 0 0 "[ ]" 1
12 1 1 G H4' 1 1 G H8 3.000 3.000 7.000 4.641 4.641 4.641 . 0 0 "[ ]" 1
13 1 1 G H2' 1 1 G H4' 2.000 . 4.000 3.875 3.875 3.875 . 0 0 "[ ]" 1
14 1 1 G H2' 1 1 G H3' 2.000 . 4.000 2.371 2.371 2.371 . 0 0 "[ ]" 1
15 1 1 G H1' 1 2 G H8 2.000 . 4.000 4.092 4.092 4.092 0.092 1 0 "[ ]" 1
16 1 1 G H2' 1 2 G H8 1.800 . 3.000 2.277 2.277 2.277 . 0 0 "[ ]" 1
17 1 1 G H2' 1 2 G H1' 2.500 2.500 5.000 4.987 4.987 4.987 . 0 0 "[ ]" 1
18 1 1 G H8 1 2 G H8 2.500 2.500 5.000 4.998 4.998 4.998 . 0 0 "[ ]" 1
19 1 1 G H3' 1 2 G H8 2.000 . 4.000 4.024 4.024 4.024 0.024 1 0 "[ ]" 1
20 1 1 G H4' 1 2 G H8 2.500 2.500 5.000 4.961 4.961 4.961 . 0 0 "[ ]" 1
21 1 1 G H1' 1 2 G H1' 3.000 3.000 8.000 4.548 4.548 4.548 . 0 0 "[ ]" 1
22 1 2 G H1' 1 2 G H8 2.000 . 4.500 3.738 3.738 3.738 . 0 0 "[ ]" 1
23 1 2 G H1' 1 2 G H2' 2.000 . 4.000 2.742 2.742 2.742 . 0 0 "[ ]" 1
24 1 2 G H1' 1 2 G H4' 3.000 3.000 7.000 3.506 3.506 3.506 . 0 0 "[ ]" 1
25 1 2 G H1' 1 2 G H3' 2.000 . 4.000 3.880 3.880 3.880 . 0 0 "[ ]" 1
26 1 2 G H1 1 21 C H41 1.800 . 5.000 2.542 2.542 2.542 . 0 0 "[ ]" 1
27 1 2 G H1 1 3 C H5 1.800 . 5.000 5.044 5.044 5.044 0.044 1 0 "[ ]" 1
28 1 2 G H1 1 3 C H1' 1.800 . 5.000 4.204 4.204 4.204 . 0 0 "[ ]" 1
29 1 3 C H41 1 20 G H1 1.800 . 5.000 2.427 2.427 2.427 . 0 0 "[ ]" 1
30 1 2 G H1' 1 3 C H6 2.500 2.500 5.000 4.841 4.841 4.841 . 0 0 "[ ]" 1
31 1 2 G H2' 1 3 C H6 2.000 . 4.500 2.323 2.323 2.323 . 0 0 "[ ]" 1
32 1 2 G H2' 1 3 C H1' 2.500 2.500 5.000 3.978 3.978 3.978 . 0 0 "[ ]" 1
33 1 2 G H1' 1 3 C H1' 3.000 3.000 8.000 5.243 5.243 5.243 . 0 0 "[ ]" 1
34 1 2 G H1' 1 3 C H5 3.000 3.000 8.000 6.008 6.008 6.008 . 0 0 "[ ]" 1
35 1 3 C H1' 1 3 C H3' 2.000 . 4.000 3.919 3.919 3.919 . 0 0 "[ ]" 1
36 1 3 C H1' 1 3 C H4' 2.000 . 4.000 3.133 3.133 3.133 . 0 0 "[ ]" 1
37 1 3 C H1' 1 3 C H6 2.500 2.500 5.000 3.600 3.600 3.600 . 0 0 "[ ]" 1
38 1 3 C H2' 1 3 C H6 2.000 . 4.500 3.712 3.712 3.712 . 0 0 "[ ]" 1
39 1 3 C H1' 1 3 C H5 3.000 3.000 8.000 5.337 5.337 5.337 . 0 0 "[ ]" 1
40 1 3 C H1' 1 4 G H8 2.500 2.500 5.000 5.018 5.018 5.018 0.018 1 0 "[ ]" 1
41 1 3 C H2' 1 4 G H8 2.000 . 4.000 2.362 2.362 2.362 . 0 0 "[ ]" 1
42 1 3 C H2' 1 4 G H1' 2.500 2.500 5.000 5.030 5.030 5.030 0.030 1 0 "[ ]" 1
43 1 4 G H1' 1 4 G H8 2.500 2.500 5.000 3.791 3.791 3.791 . 0 0 "[ ]" 1
44 1 4 G H2' 1 4 G H8 2.000 . 4.000 3.831 3.831 3.831 . 0 0 "[ ]" 1
45 1 4 G H3' 1 4 G H8 2.000 . 4.000 3.117 3.117 3.117 . 0 0 "[ ]" 1
46 1 4 G H1 1 19 C H41 1.800 . 5.000 2.321 2.321 2.321 . 0 0 "[ ]" 1
47 1 4 G H1 1 20 G H1' 1.800 . 5.000 3.339 3.339 3.339 . 0 0 "[ ]" 1
48 1 19 C H41 1 20 G H1 1.800 . 5.000 3.511 3.511 3.511 . 0 0 "[ ]" 1
49 1 19 C H41 1 20 G H2' 1.800 . 5.000 5.172 5.172 5.172 0.172 1 0 "[ ]" 1
50 1 4 G H1 1 5 A H1' 1.800 . 5.000 4.754 4.754 4.754 . 0 0 "[ ]" 1
51 1 5 A H2 1 19 C H41 1.800 . 5.000 5.041 5.041 5.041 0.041 1 0 "[ ]" 1
52 1 4 G H1' 1 5 A H8 2.500 2.500 5.000 5.075 5.075 5.075 0.075 1 0 "[ ]" 1
53 1 4 G H2' 1 5 A H8 1.800 . 5.000 2.746 2.746 2.746 . 0 0 "[ ]" 1
54 1 4 G H3' 1 5 A H8 2.000 . 4.000 3.145 3.145 3.145 . 0 0 "[ ]" 1
55 1 4 G H2' 1 5 A H1' 2.500 2.500 5.000 2.699 2.699 2.699 . 0 0 "[ ]" 1
56 1 4 G H8 1 5 A H8 2.500 2.500 5.000 3.950 3.950 3.950 . 0 0 "[ ]" 1
57 1 4 G H1' 1 5 A H1' 3.000 3.000 7.000 4.214 4.214 4.214 . 0 0 "[ ]" 1
58 1 5 A H1' 1 5 A H8 2.500 2.500 5.000 3.645 3.645 3.645 . 0 0 "[ ]" 1
59 1 5 A H2' 1 5 A H8 2.000 . 4.000 4.121 4.121 4.121 0.121 1 0 "[ ]" 1
60 1 5 A H1' 1 5 A H3' 2.000 . 4.000 4.044 4.044 4.044 0.044 1 0 "[ ]" 1
61 1 5 A H1' 1 5 A H4' 2.000 . 4.000 3.590 3.590 3.590 . 0 0 "[ ]" 1
62 1 5 A H1' 1 5 A H2 2.500 2.500 5.000 4.864 4.864 4.864 . 0 0 "[ ]" 1
63 1 5 A H3' 1 5 A H8 2.000 . 4.000 3.826 3.826 3.826 . 0 0 "[ ]" 1
64 1 5 A H4' 1 5 A H8 2.500 2.500 5.000 4.138 4.138 4.138 . 0 0 "[ ]" 1
65 1 5 A H3' 1 5 A H4' 2.000 . 4.000 3.006 3.006 3.006 . 0 0 "[ ]" 1
66 1 5 A H3' 1 5 A H5' 3.000 3.000 7.000 2.906 2.906 2.906 0.094 1 0 "[ ]" 1
67 1 5 A H3' 1 5 A H5'' 3.000 3.000 7.000 2.631 2.631 2.631 0.369 1 0 "[ ]" 1
68 1 5 A H2' 1 6 A H8 2.000 . 4.000 2.361 2.361 2.361 . 0 0 "[ ]" 1
69 1 5 A H2' 1 6 A H1' 2.000 . 4.000 3.759 3.759 3.759 . 0 0 "[ ]" 1
70 1 5 A H2 1 6 A H1' 2.000 . 4.500 3.589 3.589 3.589 . 0 0 "[ ]" 1
71 1 5 A H3' 1 6 A H8 2.000 . 4.000 2.943 2.943 2.943 . 0 0 "[ ]" 1
72 1 5 A H8 1 6 A H8 2.500 2.500 5.000 4.855 4.855 4.855 . 0 0 "[ ]" 1
73 1 5 A H1' 1 6 A H1' 3.000 3.000 7.000 5.674 5.674 5.674 . 0 0 "[ ]" 1
74 1 5 A H2 1 6 A H2 3.000 3.000 7.000 4.840 4.840 4.840 . 0 0 "[ ]" 1
75 1 6 A H2 1 17 G N2 1.800 . 6.000 2.893 2.893 2.893 . 0 0 "[ ]" 1
76 1 6 A H61 1 17 G H1 1.800 . 5.000 2.493 2.493 2.493 . 0 0 "[ ]" 1
77 1 6 A H62 1 17 G H1 1.800 . 5.000 3.942 3.942 3.942 . 0 0 "[ ]" 1
78 1 7 G H1 1 16 U H1' 1.800 . 5.000 4.724 4.724 4.724 . 0 0 "[ ]" 1
79 1 5 A H2 1 18 G N2 1.800 . 6.000 2.826 2.826 2.826 . 0 0 "[ ]" 1
80 1 6 A H2 1 18 G H1' 3.000 3.000 7.000 4.987 4.987 4.987 . 0 0 "[ ]" 1
81 1 5 A H2 1 19 C H1' 3.000 3.000 7.000 4.334 4.334 4.334 . 0 0 "[ ]" 1
82 1 6 A H1' 1 6 A H8 2.500 2.500 5.000 3.679 3.679 3.679 . 0 0 "[ ]" 1
83 1 6 A H1' 1 6 A H3' 2.000 . 4.000 3.886 3.886 3.886 . 0 0 "[ ]" 1
84 1 6 A H1' 1 6 A H4' 2.000 . 4.000 3.403 3.403 3.403 . 0 0 "[ ]" 1
85 1 6 A H3' 1 6 A H8 2.000 . 4.000 3.354 3.354 3.354 . 0 0 "[ ]" 1
86 1 6 A H2 1 6 A H2' 2.500 2.500 5.000 4.390 4.390 4.390 . 0 0 "[ ]" 1
87 1 6 A H2' 1 6 A H8 2.500 2.500 5.000 4.210 4.210 4.210 . 0 0 "[ ]" 1
88 1 6 A H5'' 1 6 A H8 2.500 2.500 5.000 2.482 2.482 2.482 0.018 1 0 "[ ]" 1
89 1 6 A H1' 1 6 A H2 3.000 3.000 7.000 4.854 4.854 4.854 . 0 0 "[ ]" 1
90 1 6 A H1' 1 7 G H8 2.500 2.500 5.000 4.882 4.882 4.882 . 0 0 "[ ]" 1
91 1 6 A H2' 1 7 G H8 2.000 . 4.000 2.347 2.347 2.347 . 0 0 "[ ]" 1
92 1 6 A H2 1 7 G H1' 2.500 2.500 5.000 3.699 3.699 3.699 . 0 0 "[ ]" 1
93 1 6 A H3' 1 7 G H8 2.000 . 4.000 2.457 2.457 2.457 . 0 0 "[ ]" 1
94 1 6 A H4' 1 7 G H8 3.000 3.000 7.000 5.239 5.239 5.239 . 0 0 "[ ]" 1
95 1 6 A H5' 1 7 G H8 2.500 2.500 5.000 4.998 4.998 4.998 . 0 0 "[ ]" 1
96 1 6 A H5'' 1 7 G H8 2.500 2.500 5.000 5.018 5.018 5.018 0.018 1 0 "[ ]" 1
97 1 6 A H8 1 7 G H8 2.500 2.500 5.000 4.692 4.692 4.692 . 0 0 "[ ]" 1
98 1 6 A H2 1 7 G H8 3.000 3.000 7.000 5.245 5.245 5.245 . 0 0 "[ ]" 1
99 1 7 G H1' 1 7 G H8 3.000 3.000 7.000 3.700 3.700 3.700 . 0 0 "[ ]" 1
100 1 7 G H2' 1 7 G H8 . 3.000 4.000 4.057 4.057 4.057 0.057 1 0 "[ ]" 1
101 1 7 G H1' 1 7 G H3' 3.000 3.000 7.000 3.907 3.907 3.907 . 0 0 "[ ]" 1
102 1 7 G H3' 1 7 G H8 2.000 . 4.000 3.410 3.410 3.410 . 0 0 "[ ]" 1
103 1 7 G H4' 1 7 G H8 2.500 2.500 5.000 4.466 4.466 4.466 . 0 0 "[ ]" 1
104 1 15 A H2 1 16 U H3 1.800 . 5.500 5.518 5.518 5.518 0.018 1 0 "[ ]" 1
105 1 7 G H21 1 16 U H3 1.800 . 5.000 4.593 4.593 4.593 . 0 0 "[ ]" 1
106 1 7 G H22 1 8 U H1' 1.800 . 5.000 4.005 4.005 4.005 . 0 0 "[ ]" 1
107 1 7 G H1 1 8 U H1' 1.800 . 5.500 5.492 5.492 5.492 . 0 0 "[ ]" 1
108 1 7 G H1' 1 8 U H6 3.000 3.000 7.000 5.004 5.004 5.004 . 0 0 "[ ]" 1
109 1 7 G H2' 1 8 U H6 2.000 . 5.000 2.334 2.334 2.334 . 0 0 "[ ]" 1
110 1 7 G H8 1 8 U H6 3.000 3.000 7.000 5.380 5.380 5.380 . 0 0 "[ ]" 1
111 1 7 G H8 1 8 U H5 2.500 2.500 5.000 4.268 4.268 4.268 . 0 0 "[ ]" 1
112 1 7 G H3' 1 8 U H5 2.000 . 4.000 3.977 3.977 3.977 . 0 0 "[ ]" 1
113 1 8 U H1' 1 8 U H6 2.000 . 4.500 3.673 3.673 3.673 . 0 0 "[ ]" 1
114 1 8 U H2' 1 8 U H6 2.000 . 4.500 3.360 3.360 3.360 . 0 0 "[ ]" 1
115 1 8 U H1' 1 8 U H3' 2.000 . 4.000 3.936 3.936 3.936 . 0 0 "[ ]" 1
116 1 8 U H3' 1 8 U H6 2.000 . 4.000 2.601 2.601 2.601 . 0 0 "[ ]" 1
117 1 8 U H1' 1 8 U H5 3.000 3.000 8.000 5.425 5.425 5.425 . 0 0 "[ ]" 1
118 1 8 U H1' 1 15 A H2 2.500 2.500 6.500 5.431 5.431 5.431 . 0 0 "[ ]" 1
119 1 8 U H1' 1 9 C H6 2.000 . 4.500 4.613 4.613 4.613 0.113 1 0 "[ ]" 1
120 1 8 U H2' 1 9 C H1' 2.500 2.500 5.000 4.362 4.362 4.362 . 0 0 "[ ]" 1
121 1 8 U H2' 1 9 C H6 2.000 . 4.000 2.298 2.298 2.298 . 0 0 "[ ]" 1
122 1 8 U H5 1 9 C H5 3.000 3.000 7.000 5.589 5.589 5.589 . 0 0 "[ ]" 1
123 1 9 C H1' 1 9 C H6 2.000 . 4.500 3.628 3.628 3.628 . 0 0 "[ ]" 1
124 1 9 C H2' 1 9 C H6 2.000 . 6.000 3.642 3.642 3.642 . 0 0 "[ ]" 1
125 1 9 C H1' 1 9 C H3' 2.000 . 6.000 3.886 3.886 3.886 . 0 0 "[ ]" 1
126 1 9 C H1' 1 15 A H2 2.000 . 4.000 4.013 4.013 4.013 0.013 1 0 "[ ]" 1
127 1 9 C H1' 1 10 G H8 3.000 3.000 7.000 5.555 5.555 5.555 . 0 0 "[ ]" 1
128 1 9 C H2' 1 10 G H8 2.000 . 4.000 2.971 2.971 2.971 . 0 0 "[ ]" 1
129 1 9 C H6 1 10 G H8 3.000 3.000 7.000 4.549 4.549 4.549 . 0 0 "[ ]" 1
130 1 9 C H5 1 10 G H8 3.000 3.000 7.000 5.040 5.040 5.040 . 0 0 "[ ]" 1
131 1 9 C H4' 1 10 G H8 3.000 3.000 7.000 5.924 5.924 5.924 . 0 0 "[ ]" 1
132 1 9 C H41 1 14 G H1 1.800 . 5.000 2.395 2.395 2.395 . 0 0 "[ ]" 1
133 1 14 G H1 1 15 A H2 1.800 . 5.000 3.752 3.752 3.752 . 0 0 "[ ]" 1
134 1 9 C H41 1 10 G H1 1.800 . 5.000 3.670 3.670 3.670 . 0 0 "[ ]" 1
135 1 10 G H22 1 13 A H8 1.800 . 5.000 2.554 2.554 2.554 . 0 0 "[ ]" 1
136 1 10 G H1 1 13 A H3' 1.800 . 5.000 4.940 4.940 4.940 . 0 0 "[ ]" 1
137 1 10 G H1' 1 10 G H8 2.500 2.500 5.000 3.881 3.881 3.881 . 0 0 "[ ]" 1
138 1 10 G H2' 1 10 G H8 2.000 . 4.000 3.447 3.447 3.447 . 0 0 "[ ]" 1
139 1 10 G H3' 1 10 G H8 2.000 . 4.000 2.723 2.723 2.723 . 0 0 "[ ]" 1
140 1 10 G H1' 1 10 G H3' 2.000 . 4.000 3.932 3.932 3.932 . 0 0 "[ ]" 1
141 1 10 G H1' 1 11 A H8 3.000 3.000 7.000 5.192 5.192 5.192 . 0 0 "[ ]" 1
142 1 10 G H2' 1 11 A H8 2.500 2.500 5.000 3.355 3.355 3.355 . 0 0 "[ ]" 1
143 1 10 G H3' 1 11 A H8 3.000 3.000 7.000 4.292 4.292 4.292 . 0 0 "[ ]" 1
144 1 10 G H8 1 11 A H8 3.000 3.000 7.000 6.521 6.521 6.521 . 0 0 "[ ]" 1
145 1 10 G H1' 1 12 A H8 3.000 3.000 7.000 5.038 5.038 5.038 . 0 0 "[ ]" 1
146 1 11 A H1' 1 11 A H8 2.000 . 4.000 3.836 3.836 3.836 . 0 0 "[ ]" 1
147 1 11 A H1' 1 11 A H3' 2.500 2.500 5.000 3.912 3.912 3.912 . 0 0 "[ ]" 1
148 1 11 A H1' 1 11 A H4' 2.000 . 4.000 3.462 3.462 3.462 . 0 0 "[ ]" 1
149 1 11 A H3' 1 11 A H8 2.000 . 4.000 2.745 2.745 2.745 . 0 0 "[ ]" 1
150 1 11 A H4' 1 11 A H8 3.000 3.000 7.000 4.191 4.191 4.191 . 0 0 "[ ]" 1
151 1 11 A H1' 1 11 A H2 3.000 3.000 7.000 4.596 4.596 4.596 . 0 0 "[ ]" 1
152 1 11 A H5'' 1 11 A H8 2.000 . 4.000 3.744 3.744 3.744 . 0 0 "[ ]" 1
153 1 11 A H2' 1 11 A H8 2.000 . 4.000 3.776 3.776 3.776 . 0 0 "[ ]" 1
154 1 11 A H1' 1 12 A H8 2.500 2.500 5.000 4.862 4.862 4.862 . 0 0 "[ ]" 1
155 1 11 A H8 1 12 A H8 3.000 3.000 7.000 4.192 4.192 4.192 . 0 0 "[ ]" 1
156 1 11 A H2' 1 12 A H8 2.000 . 4.000 2.824 2.824 2.824 . 0 0 "[ ]" 1
157 1 11 A H2' 1 12 A H1' 3.000 3.000 7.000 3.778 3.778 3.778 . 0 0 "[ ]" 1
158 1 11 A H2 1 12 A H1' 2.000 . 4.000 3.753 3.753 3.753 . 0 0 "[ ]" 1
159 1 11 A H3' 1 12 A H8 2.000 . 7.000 3.783 3.783 3.783 . 0 0 "[ ]" 1
160 1 11 A H4' 1 12 A H8 2.000 . 7.000 6.324 6.324 6.324 . 0 0 "[ ]" 1
161 1 11 A H5'' 1 12 A H8 3.000 3.000 7.000 6.453 6.453 6.453 . 0 0 "[ ]" 1
162 1 11 A H2' 1 12 A H5' 3.000 3.000 7.000 4.364 4.364 4.364 . 0 0 "[ ]" 1
163 1 11 A H2' 1 12 A H5'' 3.000 3.000 7.000 3.292 3.292 3.292 . 0 0 "[ ]" 1
164 1 12 A H1' 1 12 A H3' 2.000 . 4.000 3.972 3.972 3.972 . 0 0 "[ ]" 1
165 1 12 A H1' 1 12 A H4' 2.000 . 4.000 2.998 2.998 2.998 . 0 0 "[ ]" 1
166 1 12 A H1' 1 12 A H8 2.000 . 4.000 3.659 3.659 3.659 . 0 0 "[ ]" 1
167 1 12 A H2' 1 12 A H8 2.000 . 7.000 4.024 4.024 4.024 . 0 0 "[ ]" 1
168 1 12 A H1' 1 12 A H2 3.000 3.000 7.000 4.874 4.874 4.874 . 0 0 "[ ]" 1
169 1 12 A H3' 1 12 A H8 2.000 . 4.000 3.970 3.970 3.970 . 0 0 "[ ]" 1
170 1 12 A H4' 1 12 A H8 3.000 3.000 7.000 4.563 4.563 4.563 . 0 0 "[ ]" 1
171 1 12 A H2 1 12 A H2' 3.000 3.000 7.000 4.582 4.582 4.582 . 0 0 "[ ]" 1
172 1 12 A H5'' 1 12 A H8 3.000 3.000 7.000 3.335 3.335 3.335 . 0 0 "[ ]" 1
173 1 12 A H4' 1 12 A H5'' 2.000 . 4.000 3.037 3.037 3.037 . 0 0 "[ ]" 1
174 1 12 A H2' 1 12 A H5'' 2.500 2.500 5.000 4.434 4.434 4.434 . 0 0 "[ ]" 1
175 1 12 A H3' 1 12 A H5'' 2.500 2.500 5.000 2.595 2.595 2.595 . 0 0 "[ ]" 1
176 1 12 A H1' 1 13 A H8 2.500 2.500 5.000 4.954 4.954 4.954 . 0 0 "[ ]" 1
177 1 12 A H2' 1 13 A H1' 2.000 . 4.000 3.082 3.082 3.082 . 0 0 "[ ]" 1
178 1 12 A H8 1 13 A H8 3.000 3.000 7.000 3.909 3.909 3.909 . 0 0 "[ ]" 1
179 1 12 A H2' 1 13 A H8 2.000 . 4.000 2.572 2.572 2.572 . 0 0 "[ ]" 1
180 1 12 A H3' 1 13 A H8 2.000 . 4.000 2.508 2.508 2.508 . 0 0 "[ ]" 1
181 1 12 A H4' 1 13 A H8 3.000 3.000 7.000 5.295 5.295 5.295 . 0 0 "[ ]" 1
182 1 12 A H2 1 13 A H1' 2.000 . 4.000 3.633 3.633 3.633 . 0 0 "[ ]" 1
183 1 12 A H5'' 1 13 A H8 3.000 3.000 7.000 4.203 4.203 4.203 . 0 0 "[ ]" 1
184 1 12 A H2' 1 13 A H2 3.000 3.000 7.000 6.954 6.954 6.954 . 0 0 "[ ]" 1
185 1 12 A H4' 1 13 A H1' 3.000 3.000 7.000 6.898 6.898 6.898 . 0 0 "[ ]" 1
186 1 12 A H3' 1 13 A H1' 3.000 3.000 7.000 4.995 4.995 4.995 . 0 0 "[ ]" 1
187 1 13 A H2 1 13 A H8 3.000 3.000 8.000 6.425 6.425 6.425 . 0 0 "[ ]" 1
188 1 12 A H2 1 13 A H2 3.000 3.000 8.000 5.056 5.056 5.056 . 0 0 "[ ]" 1
189 1 13 A H2 1 14 G H1' 3.000 3.000 8.000 5.797 5.797 5.797 . 0 0 "[ ]" 1
190 1 13 A H1' 1 13 A H8 2.000 . 4.000 3.708 3.708 3.708 . 0 0 "[ ]" 1
191 1 13 A H1' 1 13 A H3' 3.000 3.000 7.000 3.947 3.947 3.947 . 0 0 "[ ]" 1
192 1 13 A H1' 1 13 A H4' 2.000 . 4.000 3.143 3.143 3.143 . 0 0 "[ ]" 1
193 1 13 A H2' 1 13 A H8 2.000 . 4.000 4.007 4.007 4.007 0.007 1 0 "[ ]" 1
194 1 13 A H3' 1 13 A H8 2.000 . 4.000 3.583 3.583 3.583 . 0 0 "[ ]" 1
195 1 13 A H1' 1 13 A H2 3.000 3.000 7.000 4.800 4.800 4.800 . 0 0 "[ ]" 1
196 1 13 A H4' 1 13 A H8 3.000 3.000 7.000 4.492 4.492 4.492 . 0 0 "[ ]" 1
197 1 13 A H2' 1 13 A H3' 2.000 . 4.000 2.385 2.385 2.385 . 0 0 "[ ]" 1
198 1 13 A H3' 1 13 A H4' 2.500 2.500 5.000 3.056 3.056 3.056 . 0 0 "[ ]" 1
199 1 13 A H3' 1 13 A H5' 2.000 . 4.000 2.761 2.761 2.761 . 0 0 "[ ]" 1
200 1 13 A H3' 1 13 A H5'' 2.000 . 4.000 2.632 2.632 2.632 . 0 0 "[ ]" 1
201 1 13 A H1' 1 14 G H8 3.000 3.000 7.000 6.077 6.077 6.077 . 0 0 "[ ]" 1
202 1 13 A H1' 1 14 G H1' 3.000 3.000 7.000 6.599 6.599 6.599 . 0 0 "[ ]" 1
203 1 13 A H2' 1 14 G H1' 2.500 2.500 5.000 4.315 4.315 4.315 . 0 0 "[ ]" 1
204 1 13 A H2' 1 14 G H8 3.000 3.000 7.000 3.693 3.693 3.693 . 0 0 "[ ]" 1
205 1 13 A H8 1 14 G H1' 3.000 3.000 7.000 5.398 5.398 5.398 . 0 0 "[ ]" 1
206 1 13 A H8 1 14 G H8 3.000 3.000 7.000 5.042 5.042 5.042 . 0 0 "[ ]" 1
207 1 13 A H3' 1 14 G H8 2.000 . 4.000 2.435 2.435 2.435 . 0 0 "[ ]" 1
208 1 13 A H3' 1 14 G H1' 3.000 3.000 7.000 4.907 4.907 4.907 . 0 0 "[ ]" 1
209 1 13 A H4' 1 14 G H8 3.000 3.000 7.000 5.420 5.420 5.420 . 0 0 "[ ]" 1
210 1 14 G H1' 1 14 G H3' 2.500 2.500 5.000 3.898 3.898 3.898 . 0 0 "[ ]" 1
211 1 14 G H1' 1 14 G H4' 2.000 . 4.500 3.387 3.387 3.387 . 0 0 "[ ]" 1
212 1 14 G H1' 1 14 G H8 2.000 . 4.000 3.791 3.791 3.791 . 0 0 "[ ]" 1
213 1 14 G H2' 1 14 G H8 2.500 2.500 5.000 3.922 3.922 3.922 . 0 0 "[ ]" 1
214 1 14 G H1' 1 15 A H8 2.500 2.500 5.000 4.991 4.991 4.991 . 0 0 "[ ]" 1
215 1 14 G H2' 1 15 A H8 2.000 . 4.000 2.345 2.345 2.345 . 0 0 "[ ]" 1
216 1 15 A H1' 1 15 A H8 2.000 . 4.000 3.845 3.845 3.845 . 0 0 "[ ]" 1
217 1 15 A H1' 1 15 A H2 2.500 2.500 5.000 4.600 4.600 4.600 . 0 0 "[ ]" 1
218 1 15 A H1' 1 15 A H3' 2.000 . 4.000 3.873 3.873 3.873 . 0 0 "[ ]" 1
219 1 15 A H2' 1 15 A H8 2.000 . 4.500 3.725 3.725 3.725 . 0 0 "[ ]" 1
220 1 15 A H4' 1 15 A H8 2.500 2.500 5.000 4.390 4.390 4.390 . 0 0 "[ ]" 1
221 1 15 A H3' 1 15 A H8 2.000 . 4.000 2.737 2.737 2.737 . 0 0 "[ ]" 1
222 1 15 A H1' 1 16 U H6 3.000 3.000 7.000 5.171 5.171 5.171 . 0 0 "[ ]" 1
223 1 15 A H2' 1 16 U H6 2.500 2.500 5.000 2.871 2.871 2.871 . 0 0 "[ ]" 1
224 1 15 A H3' 1 16 U H6 2.000 . 4.000 3.544 3.544 3.544 . 0 0 "[ ]" 1
225 1 15 A H8 1 16 U H5 2.000 . 4.000 4.044 4.044 4.044 0.044 1 0 "[ ]" 1
226 1 15 A H2 1 16 U H1' 1.800 . 3.000 3.036 3.036 3.036 0.036 1 0 "[ ]" 1
227 1 15 A H1' 1 16 U H5 3.000 3.000 8.000 6.608 6.608 6.608 . 0 0 "[ ]" 1
228 1 15 A H8 1 16 U H6 3.000 3.000 8.000 4.052 4.052 4.052 . 0 0 "[ ]" 1
229 1 15 A H2 1 16 U H6 3.000 3.000 8.000 5.754 5.754 5.754 . 0 0 "[ ]" 1
230 1 16 U H1' 1 16 U H3' 2.000 . 4.000 3.969 3.969 3.969 . 0 0 "[ ]" 1
231 1 16 U H1' 1 16 U H4' 2.000 . 4.000 3.340 3.340 3.340 . 0 0 "[ ]" 1
232 1 16 U H2' 1 16 U H6 2.000 . 4.000 3.965 3.965 3.965 . 0 0 "[ ]" 1
233 1 16 U H3' 1 16 U H6 2.000 . 4.000 3.386 3.386 3.386 . 0 0 "[ ]" 1
234 1 16 U H4' 1 16 U H6 2.500 2.500 5.000 4.046 4.046 4.046 . 0 0 "[ ]" 1
235 1 16 U H5' 1 16 U H6 2.500 2.500 5.000 4.199 4.199 4.199 . 0 0 "[ ]" 1
236 1 16 U H5'' 1 16 U H6 2.500 2.500 5.000 2.789 2.789 2.789 . 0 0 "[ ]" 1
237 1 16 U H1' 1 17 G H8 3.000 3.000 7.000 5.153 5.153 5.153 . 0 0 "[ ]" 1
238 1 16 U H2' 1 17 G H8 2.000 . 4.000 2.768 2.768 2.768 . 0 0 "[ ]" 1
239 1 16 U H3' 1 17 G H8 2.000 . 4.000 2.916 2.916 2.916 . 0 0 "[ ]" 1
240 1 16 U H6 1 17 G H8 3.000 3.000 6.000 6.041 6.041 6.041 0.041 1 0 "[ ]" 1
241 1 16 U H2' 1 17 G H2' 3.000 3.000 7.000 6.061 6.061 6.061 . 0 0 "[ ]" 1
242 1 16 U H1' 1 17 G H1' 3.000 3.000 7.000 6.966 6.966 6.966 . 0 0 "[ ]" 1
243 1 17 G H1' 1 17 G H3' 2.500 2.500 5.000 3.894 3.894 3.894 . 0 0 "[ ]" 1
244 1 17 G H1' 1 17 G H8 2.500 2.500 5.000 3.803 3.803 3.803 . 0 0 "[ ]" 1
245 1 17 G H2' 1 17 G H8 2.000 . 4.000 3.912 3.912 3.912 . 0 0 "[ ]" 1
246 1 17 G H4' 1 17 G H8 2.500 2.500 5.000 4.141 4.141 4.141 . 0 0 "[ ]" 1
247 1 17 G H3' 1 17 G H8 2.500 2.500 5.000 2.806 2.806 2.806 . 0 0 "[ ]" 1
248 1 17 G H1' 1 17 G H4' 3.000 3.000 7.000 3.510 3.510 3.510 . 0 0 "[ ]" 1
249 1 17 G H2' 1 17 G H4' 2.000 . 4.000 3.875 3.875 3.875 . 0 0 "[ ]" 1
250 1 17 G H2' 1 17 G H3' 2.000 . 4.000 2.414 2.414 2.414 . 0 0 "[ ]" 1
251 1 17 G H1' 1 18 G H8 2.500 2.500 5.000 4.760 4.760 4.760 . 0 0 "[ ]" 1
252 1 17 G H2' 1 18 G H8 2.500 2.500 5.000 2.473 2.473 2.473 0.027 1 0 "[ ]" 1
253 1 17 G H3' 1 18 G H8 3.000 3.000 7.000 3.331 3.331 3.331 . 0 0 "[ ]" 1
254 1 17 G H8 1 18 G H8 3.000 3.000 6.000 4.395 4.395 4.395 . 0 0 "[ ]" 1
255 1 17 G H1' 1 18 G H1' 3.000 3.000 7.000 5.241 5.241 5.241 . 0 0 "[ ]" 1
256 1 18 G H1' 1 18 G H8 3.000 3.000 7.000 3.669 3.669 3.669 . 0 0 "[ ]" 1
257 1 18 G H1' 1 18 G H3' 2.500 2.500 5.000 3.880 3.880 3.880 . 0 0 "[ ]" 1
258 1 18 G H1' 1 18 G H4' 2.500 2.500 5.000 3.494 3.494 3.494 . 0 0 "[ ]" 1
259 1 18 G H2' 1 18 G H8 2.500 2.500 5.000 4.250 4.250 4.250 . 0 0 "[ ]" 1
260 1 18 G H3' 1 18 G H8 2.000 . 4.000 3.344 3.344 3.344 . 0 0 "[ ]" 1
261 1 18 G H4' 1 18 G H8 2.500 2.500 5.000 4.277 4.277 4.277 . 0 0 "[ ]" 1
262 1 18 G H1' 1 19 C H6 3.000 3.000 7.000 4.991 4.991 4.991 . 0 0 "[ ]" 1
263 1 18 G H1' 1 19 C H5 3.000 3.000 7.000 6.184 6.184 6.184 . 0 0 "[ ]" 1
264 1 18 G H8 1 19 C H6 3.000 3.000 6.000 5.904 5.904 5.904 . 0 0 "[ ]" 1
265 1 18 G H8 1 19 C H5 3.000 3.000 7.000 5.606 5.606 5.606 . 0 0 "[ ]" 1
266 1 19 C H1' 1 19 C H6 3.000 3.000 7.000 3.587 3.587 3.587 . 0 0 "[ ]" 1
267 1 19 C H2' 1 19 C H6 2.000 . 4.500 3.843 3.843 3.843 . 0 0 "[ ]" 1
268 1 19 C H1' 1 20 G H8 2.500 2.500 5.000 4.957 4.957 4.957 . 0 0 "[ ]" 1
269 1 19 C H2' 1 20 G H8 2.000 . 4.000 2.916 2.916 2.916 . 0 0 "[ ]" 1
270 1 20 G H1' 1 20 G H8 2.000 . 4.000 3.653 3.653 3.653 . 0 0 "[ ]" 1
271 1 20 G H1' 1 20 G H3' 2.000 . 4.000 3.880 3.880 3.880 . 0 0 "[ ]" 1
272 1 20 G H1' 1 20 G H4' 2.000 . 4.500 3.165 3.165 3.165 . 0 0 "[ ]" 1
273 1 20 G H4' 1 20 G H8 2.500 2.500 5.000 4.561 4.561 4.561 . 0 0 "[ ]" 1
274 1 20 G H2' 1 20 G H8 2.000 . 6.000 4.190 4.190 4.190 . 0 0 "[ ]" 1
275 1 20 G H3' 1 20 G H8 2.000 . 5.000 3.560 3.560 3.560 . 0 0 "[ ]" 1
276 1 20 G H1' 1 21 C H6 2.000 . 6.000 5.226 5.226 5.226 . 0 0 "[ ]" 1
277 1 20 G H2' 1 21 C H6 2.000 . 6.000 2.457 2.457 2.457 . 0 0 "[ ]" 1
278 1 20 G H3' 1 21 C H5 2.500 2.500 5.000 3.587 3.587 3.587 . 0 0 "[ ]" 1
279 1 21 C H1' 1 21 C H4' 2.000 . 4.500 3.197 3.197 3.197 . 0 0 "[ ]" 1
280 1 21 C H2' 1 21 C H6 1.800 . 3.800 3.702 3.702 3.702 . 0 0 "[ ]" 1
281 1 21 C H1' 1 21 C H6 2.000 . 4.500 3.600 3.600 3.600 . 0 0 "[ ]" 1
282 1 21 C H3' 1 21 C H5 2.500 2.500 5.000 4.857 4.857 4.857 . 0 0 "[ ]" 1
283 1 21 C H2' 1 21 C H5 3.000 3.000 7.000 5.163 5.163 5.163 . 0 0 "[ ]" 1
284 1 21 C H2' 1 22 C H1' 3.000 3.000 7.000 4.622 4.622 4.622 . 0 0 "[ ]" 1
285 1 21 C H2' 1 22 C H6 2.000 . 4.000 2.334 2.334 2.334 . 0 0 "[ ]" 1
286 1 21 C H5 1 22 C H5 3.000 3.000 7.000 6.066 6.066 6.066 . 0 0 "[ ]" 1
287 1 21 C H4' 1 22 C H6 2.500 2.500 5.000 5.056 5.056 5.056 0.056 1 0 "[ ]" 1
288 1 22 C H1' 1 22 C H6 2.500 2.500 5.000 3.564 3.564 3.564 . 0 0 "[ ]" 1
289 1 22 C H1' 1 22 C H3' 2.000 . 4.000 3.839 3.839 3.839 . 0 0 "[ ]" 1
290 1 22 C H2' 1 22 C H6 2.000 . 4.000 3.911 3.911 3.911 . 0 0 "[ ]" 1
291 1 22 C H3' 1 22 C H6 2.000 . 4.000 2.840 2.840 2.840 . 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 32
_Distance_constraint_stats_list.Viol_count 12
_Distance_constraint_stats_list.Viol_total 0.424
_Distance_constraint_stats_list.Viol_max 0.107
_Distance_constraint_stats_list.Viol_rms 0.0248
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0132
_Distance_constraint_stats_list.Viol_average_violations_only 0.0353
_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 0.039 0.021 1 0 "[ ]"
1 2 G 0.069 0.054 1 0 "[ ]"
1 3 C 0.058 0.038 1 0 "[ ]"
1 4 G 0.178 0.107 1 0 "[ ]"
1 6 A 0.000 0.000 . 0 "[ ]"
1 7 G 0.027 0.027 1 0 "[ ]"
1 8 U 0.032 0.032 1 0 "[ ]"
1 9 C 0.020 0.020 1 0 "[ ]"
1 14 G 0.020 0.020 1 0 "[ ]"
1 15 A 0.032 0.032 1 0 "[ ]"
1 16 U 0.027 0.027 1 0 "[ ]"
1 17 G 0.000 0.000 . 0 "[ ]"
1 19 C 0.178 0.107 1 0 "[ ]"
1 20 G 0.058 0.038 1 0 "[ ]"
1 21 C 0.069 0.054 1 0 "[ ]"
1 22 C 0.039 0.021 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 22 C H41 1.700 . 1.800 1.821 1.821 1.821 0.021 1 0 "[ ]" 2
2 1 1 G H21 1 22 C N3 3.000 2.900 3.100 2.899 2.899 2.899 0.001 1 0 "[ ]" 2
3 1 1 G H21 1 22 C O2 2.000 . 2.100 1.999 1.999 1.999 . 0 0 "[ ]" 2
4 1 1 G H1 1 22 C N3 1.900 . 2.000 2.016 2.016 2.016 0.016 1 0 "[ ]" 2
5 1 2 G O6 1 21 C H41 1.700 . 1.800 1.854 1.854 1.854 0.054 1 0 "[ ]" 2
6 1 2 G H21 1 21 C N3 3.000 2.900 3.100 2.942 2.942 2.942 . 0 0 "[ ]" 2
7 1 2 G H21 1 21 C O2 2.000 . 2.100 2.115 2.115 2.115 0.015 1 0 "[ ]" 2
8 1 2 G H1 1 21 C N3 1.900 . 2.000 1.806 1.806 1.806 . 0 0 "[ ]" 2
9 1 3 C H41 1 20 G O6 1.700 . 1.800 1.820 1.820 1.820 0.020 1 0 "[ ]" 2
10 1 3 C N3 1 20 G H21 3.000 2.900 3.100 2.862 2.862 2.862 0.038 1 0 "[ ]" 2
11 1 3 C O2 1 20 G H21 2.000 . 2.100 2.029 2.029 2.029 . 0 0 "[ ]" 2
12 1 3 C N3 1 20 G H1 1.900 . 2.000 1.845 1.845 1.845 . 0 0 "[ ]" 2
13 1 4 G O6 1 19 C H41 1.800 . 1.900 1.892 1.892 1.892 . 0 0 "[ ]" 2
14 1 4 G H21 1 19 C N3 3.100 3.000 3.200 2.928 2.928 2.928 0.072 1 0 "[ ]" 2
15 1 4 G H21 1 19 C O2 2.100 . 2.200 2.307 2.307 2.307 0.107 1 0 "[ ]" 2
16 1 4 G H1 1 19 C N3 2.000 . 2.100 1.907 1.907 1.907 . 0 0 "[ ]" 2
17 1 6 A N1 1 17 G H1 1.750 . 1.850 1.766 1.766 1.766 . 0 0 "[ ]" 2
18 1 6 A N1 1 17 G N1 2.750 2.650 2.850 2.739 2.739 2.739 . 0 0 "[ ]" 2
19 1 6 A H61 1 17 G O6 1.590 . 1.690 1.513 1.513 1.513 . 0 0 "[ ]" 2
20 1 6 A N6 1 17 G O6 2.590 2.490 2.690 2.511 2.511 2.511 . 0 0 "[ ]" 2
21 1 7 G H1 1 16 U O2 1.900 . 2.100 2.127 2.127 2.127 0.027 1 0 "[ ]" 2
22 1 7 G O6 1 16 U H3 2.000 . 2.200 1.965 1.965 1.965 . 0 0 "[ ]" 2
23 1 7 G O6 1 16 U O2 3.800 3.600 4.000 3.787 3.787 3.787 . 0 0 "[ ]" 2
24 1 7 G N1 1 16 U N3 3.800 3.600 4.000 3.783 3.783 3.783 . 0 0 "[ ]" 2
25 1 8 U O2 1 15 A H2 3.200 3.100 3.300 3.147 3.147 3.147 . 0 0 "[ ]" 2
26 1 8 U H3 1 15 A N1 1.900 . 2.000 1.998 1.998 1.998 . 0 0 "[ ]" 2
27 1 8 U O4 1 15 A H61 1.800 . 1.900 1.826 1.826 1.826 . 0 0 "[ ]" 2
28 1 8 U H3 1 15 A H2 2.900 2.800 3.000 3.032 3.032 3.032 0.032 1 0 "[ ]" 2
29 1 9 C H41 1 14 G O6 1.700 . 1.800 1.698 1.698 1.698 . 0 0 "[ ]" 2
30 1 9 C N3 1 14 G H21 3.000 2.900 3.100 2.880 2.880 2.880 0.020 1 0 "[ ]" 2
31 1 9 C O2 1 14 G H21 2.000 . 2.100 1.904 1.904 1.904 . 0 0 "[ ]" 2
32 1 9 C N3 1 14 G H1 1.900 . 2.000 1.883 1.883 1.883 . 0 0 "[ ]" 2
stop_
save_
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