NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
383380 |
1jzc   |
5193 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jzc
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 94
_Distance_constraint_stats_list.Viol_count 21
_Distance_constraint_stats_list.Viol_total 1.220
_Distance_constraint_stats_list.Viol_max 0.173
_Distance_constraint_stats_list.Viol_rms 0.0330
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0130
_Distance_constraint_stats_list.Viol_average_violations_only 0.0581
_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 4 G 0.000 0.000 . 0 "[ ]"
1 5 C 0.180 0.173 1 0 "[ ]"
1 7 U 0.020 0.020 1 0 "[ ]"
1 8 G 0.232 0.120 1 0 "[ ]"
1 9 G 0.415 0.173 1 0 "[ ]"
1 10 C 0.576 0.120 1 0 "[ ]"
1 11 A 0.351 0.161 1 0 "[ ]"
1 12 C 0.102 0.049 1 0 "[ ]"
1 13 C 0.088 0.044 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 8 G H1' 1 8 G H2' 2.000 . 4.000 2.659 2.659 2.659 . 0 0 "[ ]" 1
2 1 7 U H1' 1 8 G H1' 3.000 3.000 7.000 7.020 7.020 7.020 0.020 1 0 "[ ]" 1
3 1 8 G H1' 1 10 C H1' 3.000 3.000 7.000 7.120 7.120 7.120 0.120 1 0 "[ ]" 1
4 1 7 U H2' 1 8 G H1' 2.500 2.500 5.000 4.192 4.192 4.192 . 0 0 "[ ]" 1
5 1 7 U H5' 1 8 G H1' 2.500 2.500 5.000 4.322 4.322 4.322 . 0 0 "[ ]" 1
6 1 7 U H5'' 1 8 G H1' 2.500 2.500 5.000 4.291 4.291 4.291 . 0 0 "[ ]" 1
7 1 8 G H2' 1 8 G H5' 2.500 2.500 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
8 1 8 G H2' 1 8 G H5'' 2.500 2.500 5.000 4.181 4.181 4.181 . 0 0 "[ ]" 1
9 1 8 G H1' 1 8 G H8 2.500 2.500 5.000 3.663 3.663 3.663 . 0 0 "[ ]" 1
10 1 8 G H2' 1 8 G H8 1.800 . 3.200 2.232 2.232 2.232 . 0 0 "[ ]" 1
11 1 8 G H3' 1 8 G H8 1.800 . 3.200 2.339 2.339 2.339 . 0 0 "[ ]" 1
12 1 8 G H4' 1 8 G H8 3.000 3.000 7.000 4.886 4.886 4.886 . 0 0 "[ ]" 1
13 1 8 G H5' 1 8 G H8 2.500 2.500 5.000 4.807 4.807 4.807 . 0 0 "[ ]" 1
14 1 8 G H5'' 1 8 G H8 2.500 2.500 5.000 3.447 3.447 3.447 . 0 0 "[ ]" 1
15 1 8 G H8 1 9 G H8 3.000 3.000 7.000 3.828 3.828 3.828 . 0 0 "[ ]" 1
16 1 8 G H1' 1 8 G H5' 3.000 3.000 7.000 5.222 5.222 5.222 . 0 0 "[ ]" 1
17 1 8 G H1' 1 8 G H5'' 3.000 3.000 7.000 4.264 4.264 4.264 . 0 0 "[ ]" 1
18 1 5 C H2' 1 8 G H1' 3.000 3.000 7.000 2.994 2.994 2.994 0.006 1 0 "[ ]" 1
19 1 8 G H1' 1 8 G H4' 2.500 2.500 5.000 3.882 3.882 3.882 . 0 0 "[ ]" 1
20 1 8 G H1' 1 8 G H3' 2.500 2.500 5.000 3.888 3.888 3.888 . 0 0 "[ ]" 1
21 1 8 G H3' 1 8 G H5' 2.000 . 4.000 2.917 2.917 2.917 . 0 0 "[ ]" 1
22 1 8 G H3' 1 8 G H5'' 2.000 . 4.000 2.353 2.353 2.353 . 0 0 "[ ]" 1
23 1 8 G H5' 1 8 G H5'' 1.800 . 3.200 1.776 1.776 1.776 0.024 1 0 "[ ]" 1
24 1 9 G H1' 1 9 G H2' 2.500 2.500 5.000 3.057 3.057 3.057 . 0 0 "[ ]" 1
25 1 9 G H1' 1 9 G H3' 2.500 2.500 5.000 3.836 3.836 3.836 . 0 0 "[ ]" 1
26 1 9 G H1' 1 9 G H4' 2.000 . 4.000 3.174 3.174 3.174 . 0 0 "[ ]" 1
27 1 9 G H1' 1 10 C H5 2.500 2.500 5.000 4.108 4.108 4.108 . 0 0 "[ ]" 1
28 1 9 G H2' 1 10 C H5 2.500 2.500 5.000 4.417 4.417 4.417 . 0 0 "[ ]" 1
29 1 9 G H1' 1 10 C H1' 2.500 2.500 5.000 2.850 2.850 2.850 . 0 0 "[ ]" 1
30 1 5 C H2' 1 9 G H8 3.000 3.000 7.000 7.173 7.173 7.173 0.173 1 0 "[ ]" 1
31 1 8 G H1' 1 9 G H8 3.000 3.000 7.000 5.785 5.785 5.785 . 0 0 "[ ]" 1
32 1 8 G H3' 1 9 G H8 2.500 2.500 5.000 2.742 2.742 2.742 . 0 0 "[ ]" 1
33 1 8 G H4' 1 9 G H8 2.500 2.500 5.000 4.865 4.865 4.865 . 0 0 "[ ]" 1
34 1 8 G H5' 1 9 G H8 2.500 2.500 5.000 5.060 5.060 5.060 0.060 1 0 "[ ]" 1
35 1 8 G H5'' 1 9 G H8 2.500 2.500 5.000 4.994 4.994 4.994 . 0 0 "[ ]" 1
36 1 9 G H1' 1 9 G H8 2.500 2.500 5.000 3.917 3.917 3.917 . 0 0 "[ ]" 1
37 1 9 G H2' 1 9 G H8 1.800 . 3.200 2.336 2.336 2.336 . 0 0 "[ ]" 1
38 1 9 G H3' 1 9 G H8 2.500 2.500 5.000 4.468 4.468 4.468 . 0 0 "[ ]" 1
39 1 9 G H4' 1 9 G H8 2.500 2.500 5.000 4.998 4.998 4.998 . 0 0 "[ ]" 1
40 1 9 G H8 1 10 C H5 2.500 2.500 5.000 5.037 5.037 5.037 0.037 1 0 "[ ]" 1
41 1 9 G H8 1 10 C H6 2.500 2.500 5.000 5.029 5.029 5.029 0.029 1 0 "[ ]" 1
42 1 9 G H5' 1 9 G H8 2.500 2.500 5.000 4.455 4.455 4.455 . 0 0 "[ ]" 1
43 1 9 G H5'' 1 9 G H8 2.500 2.500 5.000 5.053 5.053 5.053 0.053 1 0 "[ ]" 1
44 1 9 G H1' 1 10 C H2' 2.500 2.500 5.000 5.033 5.033 5.033 0.033 1 0 "[ ]" 1
45 1 10 C H1' 1 10 C H2' 1.800 . 3.200 2.753 2.753 2.753 . 0 0 "[ ]" 1
46 1 10 C H1' 1 11 A H1' 3.000 3.000 7.000 6.223 6.223 6.223 . 0 0 "[ ]" 1
47 1 10 C H1' 1 10 C H5 3.000 3.000 7.000 5.227 5.227 5.227 . 0 0 "[ ]" 1
48 1 10 C H5 1 10 C H6 1.800 . 3.200 2.446 2.446 2.446 . 0 0 "[ ]" 1
49 1 10 C H1' 1 10 C H6 2.500 2.500 5.000 3.423 3.423 3.423 . 0 0 "[ ]" 1
50 1 10 C H2' 1 10 C H6 2.000 . 4.000 4.110 4.110 4.110 0.110 1 0 "[ ]" 1
51 1 10 C H3' 1 10 C H6 1.800 . 3.200 3.284 3.284 3.284 0.084 1 0 "[ ]" 1
52 1 9 G H1' 1 10 C H6 1.800 . 3.200 2.467 2.467 2.467 . 0 0 "[ ]" 1
53 1 9 G H2' 1 10 C H6 2.500 2.500 5.000 3.618 3.618 3.618 . 0 0 "[ ]" 1
54 1 9 G H4' 1 10 C H6 2.500 2.500 5.000 5.030 5.030 5.030 0.030 1 0 "[ ]" 1
55 1 11 A H1' 1 11 A H2' 1.800 . 3.200 2.799 2.799 2.799 . 0 0 "[ ]" 1
56 1 11 A H1' 1 12 C H1' 3.000 3.000 7.000 4.447 4.447 4.447 . 0 0 "[ ]" 1
57 1 11 A H1' 1 12 C H5 3.000 3.000 7.000 5.958 5.958 5.958 . 0 0 "[ ]" 1
58 1 11 A H1' 1 11 A H8 2.500 2.500 5.000 3.860 3.860 3.860 . 0 0 "[ ]" 1
59 1 11 A H2' 1 11 A H8 1.800 . 3.200 3.361 3.361 3.361 0.161 1 0 "[ ]" 1
60 1 11 A H3' 1 11 A H8 2.000 . 4.000 2.621 2.621 2.621 . 0 0 "[ ]" 1
61 1 10 C H1' 1 11 A H8 2.500 2.500 5.000 5.074 5.074 5.074 0.074 1 0 "[ ]" 1
62 1 10 C H2' 1 11 A H8 2.500 2.500 5.000 2.442 2.442 2.442 0.058 1 0 "[ ]" 1
63 1 10 C H3' 1 11 A H8 2.000 . 4.000 3.824 3.824 3.824 . 0 0 "[ ]" 1
64 1 10 C H6 1 11 A H8 3.000 3.000 7.000 6.024 6.024 6.024 . 0 0 "[ ]" 1
65 1 4 G H1' 1 11 A H2 2.500 2.500 5.000 4.687 4.687 4.687 . 0 0 "[ ]" 1
66 1 11 A H2 1 12 C H1' 2.500 2.500 5.000 3.538 3.538 3.538 . 0 0 "[ ]" 1
67 1 11 A H1' 1 11 A H2 3.000 3.000 7.000 4.545 4.545 4.545 . 0 0 "[ ]" 1
68 1 11 A H2 1 11 A H2' 3.000 3.000 7.000 5.430 5.430 5.430 . 0 0 "[ ]" 1
69 1 11 A H2 1 12 C H2' 3.000 3.000 7.000 5.771 5.771 5.771 . 0 0 "[ ]" 1
70 1 11 A H2 1 12 C H3' 3.000 3.000 7.000 7.049 7.049 7.049 0.049 1 0 "[ ]" 1
71 1 4 G H2' 1 11 A H2 3.000 3.000 7.000 6.968 6.968 6.968 . 0 0 "[ ]" 1
72 1 4 G H8 1 11 A H2 3.000 3.000 7.000 6.481 6.481 6.481 . 0 0 "[ ]" 1
73 1 12 C H1' 1 12 C H2' 1.800 . 3.200 2.812 2.812 2.812 . 0 0 "[ ]" 1
74 1 12 C H1' 1 12 C H5 3.000 3.000 7.000 5.418 5.418 5.418 . 0 0 "[ ]" 1
75 1 12 C H5 1 12 C H6 1.800 . 3.200 2.440 2.440 2.440 . 0 0 "[ ]" 1
76 1 12 C H5 1 13 C H5 2.500 2.500 5.000 3.329 3.329 3.329 . 0 0 "[ ]" 1
77 1 11 A H8 1 12 C H6 3.000 3.000 7.000 4.957 4.957 4.957 . 0 0 "[ ]" 1
78 1 11 A H1' 1 12 C H6 2.500 2.500 5.000 4.856 4.856 4.856 . 0 0 "[ ]" 1
79 1 11 A H3' 1 12 C H6 2.000 . 4.000 4.009 4.009 4.009 0.009 1 0 "[ ]" 1
80 1 12 C H1' 1 12 C H6 2.000 . 4.000 3.694 3.694 3.694 . 0 0 "[ ]" 1
81 1 12 C H2' 1 12 C H6 2.500 2.500 5.000 3.356 3.356 3.356 . 0 0 "[ ]" 1
82 1 12 C H3' 1 12 C H6 1.800 . 3.200 2.385 2.385 2.385 . 0 0 "[ ]" 1
83 1 12 C H4' 1 12 C H6 3.000 3.000 7.000 4.107 4.107 4.107 . 0 0 "[ ]" 1
84 1 13 C H5 1 13 C H6 1.800 . 3.200 2.441 2.441 2.441 . 0 0 "[ ]" 1
85 1 12 C H6 1 13 C H6 3.000 3.000 7.000 4.388 4.388 4.388 . 0 0 "[ ]" 1
86 1 13 C H1' 1 13 C H2' 1.800 . 3.200 2.839 2.839 2.839 . 0 0 "[ ]" 1
87 1 13 C H1' 1 13 C H5 3.000 3.000 7.000 5.422 5.422 5.422 . 0 0 "[ ]" 1
88 1 13 C H1' 1 13 C H6 2.000 . 4.000 3.689 3.689 3.689 . 0 0 "[ ]" 1
89 1 13 C H2' 1 13 C H6 1.800 . 3.200 3.244 3.244 3.244 0.044 1 0 "[ ]" 1
90 1 13 C H3' 1 13 C H6 1.800 . 3.200 2.401 2.401 2.401 . 0 0 "[ ]" 1
91 1 12 C H1' 1 13 C H6 2.500 2.500 5.000 5.044 5.044 5.044 0.044 1 0 "[ ]" 1
92 1 12 C H2' 1 13 C H6 1.800 . 3.200 2.320 2.320 2.320 . 0 0 "[ ]" 1
93 1 12 C H3' 1 13 C H6 2.000 . 4.000 3.411 3.411 3.411 . 0 0 "[ ]" 1
94 1 13 C H4' 1 13 C H6 3.000 3.000 7.000 4.124 4.124 4.124 . 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 105
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 2.001
_Distance_constraint_stats_list.Viol_max 0.286
_Distance_constraint_stats_list.Viol_rms 0.0563
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0191
_Distance_constraint_stats_list.Viol_average_violations_only 0.1001
_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 0.016 0.016 1 0 "[ ]"
1 2 G 0.046 0.017 1 0 "[ ]"
1 3 U 0.102 0.038 1 0 "[ ]"
1 4 G 0.322 0.249 1 0 "[ ]"
1 5 C 1.491 0.286 1 0 "[ ]"
1 6 A 1.115 0.226 1 0 "[ ]"
1 7 U 0.061 0.033 1 0 "[ ]"
1 8 G 0.032 0.032 1 0 "[ ]"
1 9 G 0.000 0.000 . 0 "[ ]"
1 10 C 0.000 0.000 . 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 H1' 1 1 G H2' 1.800 . 3.200 2.713 2.713 2.713 . 0 0 "[ ]" 2
2 1 1 G H1' 1 1 G H8 2.000 . 4.000 3.631 3.631 3.631 . 0 0 "[ ]" 2
3 1 1 G H2' 1 1 G H8 2.500 2.500 5.000 4.356 4.356 4.356 . 0 0 "[ ]" 2
4 1 1 G H3' 1 1 G H8 2.000 . 4.000 3.495 3.495 3.495 . 0 0 "[ ]" 2
5 1 1 G H8 1 2 G H8 3.000 3.000 7.000 5.759 5.759 5.759 . 0 0 "[ ]" 2
6 1 1 G H4' 1 1 G H8 2.500 2.500 5.000 4.151 4.151 4.151 . 0 0 "[ ]" 2
7 1 2 G H1' 1 2 G H2' 1.800 . 3.200 2.761 2.761 2.761 . 0 0 "[ ]" 2
8 1 2 G H1' 1 3 U H5 3.000 3.000 7.000 5.636 5.636 5.636 . 0 0 "[ ]" 2
9 1 2 G H1' 1 3 U H1' 3.000 3.000 7.000 5.462 5.462 5.462 . 0 0 "[ ]" 2
10 1 2 G H1' 1 2 G H8 2.000 . 4.000 3.827 3.827 3.827 . 0 0 "[ ]" 2
11 1 2 G H2' 1 2 G H8 2.000 . 4.000 3.804 3.804 3.804 . 0 0 "[ ]" 2
12 1 2 G H3' 1 2 G H8 1.800 . 3.200 2.742 2.742 2.742 . 0 0 "[ ]" 2
13 1 1 G H1' 1 2 G H8 2.500 2.500 5.000 5.016 5.016 5.016 0.016 1 0 "[ ]" 2
14 1 1 G H2' 1 2 G H8 2.000 . 4.000 2.344 2.344 2.344 . 0 0 "[ ]" 2
15 1 1 G H3' 1 2 G H8 1.800 . 3.200 3.093 3.093 3.093 . 0 0 "[ ]" 2
16 1 2 G H4' 1 2 G H8 2.500 2.500 5.000 4.242 4.242 4.242 . 0 0 "[ ]" 2
17 1 2 G H8 1 3 U H5 3.000 3.000 7.000 4.024 4.024 4.024 . 0 0 "[ ]" 2
18 1 2 G H8 1 3 U H6 2.500 2.500 5.000 5.017 5.017 5.017 0.017 1 0 "[ ]" 2
19 1 3 U H1' 1 3 U H2' 1.800 . 3.200 2.813 2.813 2.813 . 0 0 "[ ]" 2
20 1 3 U H1' 1 3 U H5 3.000 3.000 7.000 5.445 5.445 5.445 . 0 0 "[ ]" 2
21 1 3 U H1' 1 4 G H1' 3.000 3.000 7.000 5.911 5.911 5.911 . 0 0 "[ ]" 2
22 1 2 G H1' 1 3 U H6 2.500 2.500 5.000 5.013 5.013 5.013 0.013 1 0 "[ ]" 2
23 1 3 U H1' 1 3 U H6 2.500 2.500 5.000 3.697 3.697 3.697 . 0 0 "[ ]" 2
24 1 3 U H2' 1 3 U H6 1.800 . 3.200 3.234 3.234 3.234 0.034 1 0 "[ ]" 2
25 1 2 G H2' 1 3 U H6 1.800 . 3.200 2.337 2.337 2.337 . 0 0 "[ ]" 2
26 1 2 G H3' 1 3 U H6 2.000 . 4.000 3.465 3.465 3.465 . 0 0 "[ ]" 2
27 1 3 U H5 1 3 U H6 1.800 . 3.200 2.429 2.429 2.429 . 0 0 "[ ]" 2
28 1 3 U H6 1 4 G H8 2.500 2.500 5.000 4.612 4.612 4.612 . 0 0 "[ ]" 2
29 1 2 G H2' 1 3 U H5 2.500 2.500 5.000 3.574 3.574 3.574 . 0 0 "[ ]" 2
30 1 4 G H1' 1 4 G H2' 1.800 . 3.200 2.738 2.738 2.738 . 0 0 "[ ]" 2
31 1 4 G H1' 1 5 C H5 3.000 3.000 7.000 5.653 5.653 5.653 . 0 0 "[ ]" 2
32 1 4 G H1' 1 4 G H8 2.500 2.500 5.000 3.885 3.885 3.885 . 0 0 "[ ]" 2
33 1 4 G H2' 1 4 G H8 2.500 2.500 5.000 3.479 3.479 3.479 . 0 0 "[ ]" 2
34 1 4 G H3' 1 4 G H8 1.800 . 3.200 2.398 2.398 2.398 . 0 0 "[ ]" 2
35 1 3 U H1' 1 4 G H8 2.500 2.500 5.000 5.038 5.038 5.038 0.038 1 0 "[ ]" 2
36 1 3 U H2' 1 4 G H8 1.800 . 3.200 2.308 2.308 2.308 . 0 0 "[ ]" 2
37 1 4 G H8 1 5 C H6 3.000 3.000 7.000 4.371 4.371 4.371 . 0 0 "[ ]" 2
38 1 4 G H8 1 5 C H5 3.000 3.000 7.000 2.966 2.966 2.966 0.034 1 0 "[ ]" 2
39 1 5 C H1' 1 5 C H2' 1.800 . 3.200 2.742 2.742 2.742 . 0 0 "[ ]" 2
40 1 5 C H1' 1 5 C H5' 2.500 2.500 5.000 4.705 4.705 4.705 . 0 0 "[ ]" 2
41 1 5 C H1' 1 5 C H5'' 2.500 2.500 5.000 5.199 5.199 5.199 0.199 1 0 "[ ]" 2
42 1 5 C H1' 1 5 C H5 3.000 3.000 7.000 5.359 5.359 5.359 . 0 0 "[ ]" 2
43 1 5 C H1' 1 6 A H1' 3.000 3.000 7.000 5.216 5.216 5.216 . 0 0 "[ ]" 2
44 1 5 C H1' 1 6 A H2' 3.000 3.000 7.000 3.679 3.679 3.679 . 0 0 "[ ]" 2
45 1 5 C H1' 1 8 G H3' 3.000 3.000 7.000 6.532 6.532 6.532 . 0 0 "[ ]" 2
46 1 5 C H1' 1 5 C H6 2.000 . 4.000 3.593 3.593 3.593 . 0 0 "[ ]" 2
47 1 5 C H2' 1 5 C H6 1.800 . 3.200 3.486 3.486 3.486 0.286 1 0 "[ ]" 2
48 1 5 C H3' 1 5 C H6 1.800 . 3.200 2.562 2.562 2.562 . 0 0 "[ ]" 2
49 1 5 C H4' 1 5 C H6 2.500 2.500 5.000 3.778 3.778 3.778 . 0 0 "[ ]" 2
50 1 5 C H5' 1 5 C H6 2.500 2.500 5.000 3.256 3.256 3.256 . 0 0 "[ ]" 2
51 1 5 C H5'' 1 5 C H6 2.500 2.500 5.000 3.467 3.467 3.467 . 0 0 "[ ]" 2
52 1 4 G H1' 1 5 C H6 2.500 2.500 5.000 5.249 5.249 5.249 0.249 1 0 "[ ]" 2
53 1 4 G H2' 1 5 C H6 1.800 . 3.200 2.567 2.567 2.567 . 0 0 "[ ]" 2
54 1 4 G H3' 1 5 C H6 2.000 . 4.000 2.735 2.735 2.735 . 0 0 "[ ]" 2
55 1 5 C H5 1 5 C H6 1.800 . 3.200 2.423 2.423 2.423 . 0 0 "[ ]" 2
56 1 5 C H2' 1 5 C H5 2.500 2.500 5.000 4.920 4.920 4.920 . 0 0 "[ ]" 2
57 1 4 G H2' 1 5 C H5 2.500 2.500 5.000 3.602 3.602 3.602 . 0 0 "[ ]" 2
58 1 4 G H3' 1 5 C H5 2.000 . 4.000 2.429 2.429 2.429 . 0 0 "[ ]" 2
59 1 5 C H5 1 6 A H8 3.000 3.000 7.000 7.152 7.152 7.152 0.152 1 0 "[ ]" 2
60 1 5 C H6 1 6 A H8 3.000 3.000 7.000 4.854 4.854 4.854 . 0 0 "[ ]" 2
61 1 4 G H2' 1 5 C H1' 2.500 2.500 5.000 3.600 3.600 3.600 . 0 0 "[ ]" 2
62 1 5 C H1' 1 5 C H4' 2.500 2.500 5.000 3.428 3.428 3.428 . 0 0 "[ ]" 2
63 1 6 A H1' 1 6 A H2' 2.000 . 4.000 3.044 3.044 3.044 . 0 0 "[ ]" 2
64 1 5 C H5' 1 6 A H1' 3.000 3.000 7.000 6.538 6.538 6.538 . 0 0 "[ ]" 2
65 1 5 C H5'' 1 6 A H1' 3.000 3.000 7.000 6.742 6.742 6.742 . 0 0 "[ ]" 2
66 1 6 A H1' 1 6 A H4' 2.500 2.500 5.000 3.178 3.178 3.178 . 0 0 "[ ]" 2
67 1 6 A H1' 1 6 A H5' 3.000 3.000 7.000 4.646 4.646 4.646 . 0 0 "[ ]" 2
68 1 6 A H1' 1 6 A H5'' 3.000 3.000 7.000 4.981 4.981 4.981 . 0 0 "[ ]" 2
69 1 5 C H2' 1 6 A H1' 3.000 3.000 7.000 6.276 6.276 6.276 . 0 0 "[ ]" 2
70 1 6 A H1' 1 7 U H5 2.500 2.500 5.000 3.430 3.430 3.430 . 0 0 "[ ]" 2
71 1 6 A H1' 1 7 U H1' 3.000 3.000 7.000 6.847 6.847 6.847 . 0 0 "[ ]" 2
72 1 6 A H1' 1 7 U H5' 3.000 3.000 7.000 4.981 4.981 4.981 . 0 0 "[ ]" 2
73 1 6 A H1' 1 7 U H5'' 3.000 3.000 7.000 3.529 3.529 3.529 . 0 0 "[ ]" 2
74 1 6 A H2' 1 7 U H5' 2.500 2.500 5.000 3.714 3.714 3.714 . 0 0 "[ ]" 2
75 1 6 A H2' 1 7 U H5'' 2.500 2.500 5.000 3.403 3.403 3.403 . 0 0 "[ ]" 2
76 1 6 A H2' 1 7 U H3' 2.500 2.500 5.000 5.019 5.019 5.019 0.019 1 0 "[ ]" 2
77 1 6 A H1' 1 6 A H8 2.500 2.500 5.000 3.767 3.767 3.767 . 0 0 "[ ]" 2
78 1 6 A H2' 1 6 A H8 1.800 . 3.200 3.370 3.370 3.370 0.170 1 0 "[ ]" 2
79 1 6 A H3' 1 6 A H8 2.500 2.500 5.000 5.107 5.107 5.107 0.107 1 0 "[ ]" 2
80 1 6 A H4' 1 6 A H8 2.500 2.500 5.000 4.617 4.617 4.617 . 0 0 "[ ]" 2
81 1 6 A H5' 1 6 A H8 2.500 2.500 5.000 3.832 3.832 3.832 . 0 0 "[ ]" 2
82 1 6 A H5'' 1 6 A H8 2.500 2.500 5.000 5.023 5.023 5.023 0.023 1 0 "[ ]" 2
83 1 5 C H1' 1 6 A H8 2.500 2.500 5.000 3.337 3.337 3.337 . 0 0 "[ ]" 2
84 1 5 C H2' 1 6 A H8 2.500 2.500 5.000 5.149 5.149 5.149 0.149 1 0 "[ ]" 2
85 1 5 C H3' 1 6 A H8 2.500 2.500 5.000 4.987 4.987 4.987 . 0 0 "[ ]" 2
86 1 5 C H4' 1 6 A H8 2.500 2.500 5.000 2.274 2.274 2.274 0.226 1 0 "[ ]" 2
87 1 5 C H5' 1 6 A H8 3.000 3.000 7.000 3.355 3.355 3.355 . 0 0 "[ ]" 2
88 1 5 C H5'' 1 6 A H8 3.000 3.000 7.000 4.351 4.351 4.351 . 0 0 "[ ]" 2
89 1 6 A H8 1 7 U H5' 3.000 3.000 7.000 7.033 7.033 7.033 0.033 1 0 "[ ]" 2
90 1 6 A H8 1 7 U H5'' 3.000 3.000 7.000 6.319 6.319 6.319 . 0 0 "[ ]" 2
91 1 6 A H8 1 7 U H5 3.000 3.000 7.000 7.008 7.008 7.008 0.008 1 0 "[ ]" 2
92 1 6 A H8 1 7 U H6 3.000 3.000 7.000 6.815 6.815 6.815 . 0 0 "[ ]" 2
93 1 6 A H1' 1 6 A H2 3.000 3.000 7.000 4.652 4.652 4.652 . 0 0 "[ ]" 2
94 1 6 A H2 1 8 G H1' 3.000 3.000 7.000 3.859 3.859 3.859 . 0 0 "[ ]" 2
95 1 6 A H2 1 10 C H1' 3.000 3.000 7.000 5.127 5.127 5.127 . 0 0 "[ ]" 2
96 1 6 A H2 1 7 U H6 3.000 3.000 7.000 4.509 4.509 4.509 . 0 0 "[ ]" 2
97 1 6 A H2 1 7 U H1' 3.000 3.000 7.000 6.607 6.607 6.607 . 0 0 "[ ]" 2
98 1 5 C H2' 1 6 A H2 3.000 3.000 7.000 6.536 6.536 6.536 . 0 0 "[ ]" 2
99 1 6 A H2 1 7 U H2' 3.000 3.000 7.000 3.800 3.800 3.800 . 0 0 "[ ]" 2
100 1 6 A H2 1 8 G H2' 3.000 3.000 7.000 4.578 4.578 4.578 . 0 0 "[ ]" 2
101 1 6 A H2 1 8 G H3' 3.000 3.000 7.000 5.965 5.965 5.965 . 0 0 "[ ]" 2
102 1 6 A H2 1 9 G H1' 3.000 3.000 7.000 4.821 4.821 4.821 . 0 0 "[ ]" 2
103 1 5 C H4' 1 6 A H2 3.000 3.000 7.000 7.195 7.195 7.195 0.195 1 0 "[ ]" 2
104 1 6 A H2 1 8 G H5' 3.000 3.000 7.000 7.032 7.032 7.032 0.032 1 0 "[ ]" 2
105 1 6 A H2 1 8 G H5'' 3.000 3.000 7.000 6.975 6.975 6.975 . 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 9
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.006
_Distance_constraint_stats_list.Viol_max 0.006
_Distance_constraint_stats_list.Viol_rms 0.0022
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0063
_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 2 G 0.000 0.000 . 0 "[ ]"
1 3 U 0.006 0.006 1 0 "[ ]"
1 4 G 0.000 0.000 . 0 "[ ]"
1 5 C 0.000 0.000 . 0 "[ ]"
1 9 G 0.000 0.000 . 0 "[ ]"
1 10 C 0.000 0.000 . 0 "[ ]"
1 11 A 0.006 0.006 1 0 "[ ]"
1 12 C 0.000 0.000 . 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 3 U H3 1.800 . 5.000 2.563 2.563 2.563 . 0 0 "[ ]" 3
2 1 3 U H3 1 4 G H1 1.800 . 5.000 4.093 4.093 4.093 . 0 0 "[ ]" 3
3 1 2 G H1 1 12 C H41 1.800 . 5.000 2.637 2.637 2.637 . 0 0 "[ ]" 3
4 1 2 G H1 1 12 C H42 1.800 . 5.000 4.118 4.118 4.118 . 0 0 "[ ]" 3
5 1 3 U H3 1 11 A H2 . 2.800 3.000 3.006 3.006 3.006 0.006 1 0 "[ ]" 3
6 1 4 G H1 1 10 C H41 1.800 . 5.000 2.742 2.742 2.742 . 0 0 "[ ]" 3
7 1 4 G H1 1 10 C H42 1.800 . 5.000 4.254 4.254 4.254 . 0 0 "[ ]" 3
8 1 5 C H41 1 9 G H1 1.800 . 5.000 2.975 2.975 2.975 . 0 0 "[ ]" 3
9 1 5 C H42 1 9 G H1 1.800 . 5.000 4.372 4.372 4.372 . 0 0 "[ ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 14
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 0.135
_Distance_constraint_stats_list.Viol_max 0.081
_Distance_constraint_stats_list.Viol_rms 0.0241
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0097
_Distance_constraint_stats_list.Viol_average_violations_only 0.0452
_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 6 A 0.000 0.000 . 0 "[ ]"
1 7 U 0.135 0.081 1 0 "[ ]"
1 8 G 0.011 0.011 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 7 U H1' 1 7 U H2' 2.000 . 4.000 3.046 3.046 3.046 . 0 0 "[ ]" 4
2 1 7 U H5 1 7 U H6 1.800 . 3.200 2.430 2.430 2.430 . 0 0 "[ ]" 4
3 1 7 U H1' 1 7 U H6 2.000 . 4.000 3.733 3.733 3.733 . 0 0 "[ ]" 4
4 1 7 U H2' 1 7 U H6 1.800 . 3.200 2.310 2.310 2.310 . 0 0 "[ ]" 4
5 1 7 U H3' 1 7 U H6 2.000 . 4.000 4.081 4.081 4.081 0.081 1 0 "[ ]" 4
6 1 6 A H1' 1 7 U H6 2.500 2.500 5.000 3.196 3.196 3.196 . 0 0 "[ ]" 4
7 1 6 A H2' 1 7 U H6 2.500 2.500 5.000 4.862 4.862 4.862 . 0 0 "[ ]" 4
8 1 6 A H3' 1 7 U H6 2.500 2.500 5.000 4.812 4.812 4.812 . 0 0 "[ ]" 4
9 1 7 U H4' 1 7 U H6 2.500 2.500 5.000 4.406 4.406 4.406 . 0 0 "[ ]" 4
10 1 7 U H5' 1 7 U H6 2.500 2.500 5.000 4.152 4.152 4.152 . 0 0 "[ ]" 4
11 1 7 U H5'' 1 7 U H6 2.500 2.500 5.000 2.457 2.457 2.457 0.043 1 0 "[ ]" 4
12 1 7 U H1' 1 8 G H5' 3.000 3.000 7.000 6.181 6.181 6.181 . 0 0 "[ ]" 4
13 1 7 U H1' 1 8 G H5'' 3.000 3.000 7.000 7.011 7.011 7.011 0.011 1 0 "[ ]" 4
14 1 7 U H2' 1 7 U H5 2.500 2.500 5.000 4.354 4.354 4.354 . 0 0 "[ ]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 19
_Distance_constraint_stats_list.Viol_count 5
_Distance_constraint_stats_list.Viol_total 0.094
_Distance_constraint_stats_list.Viol_max 0.047
_Distance_constraint_stats_list.Viol_rms 0.0120
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0049
_Distance_constraint_stats_list.Viol_average_violations_only 0.0188
_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 2 G 0.015 0.009 1 0 "[ ]"
1 3 U 0.008 0.008 1 0 "[ ]"
1 4 G 0.071 0.047 1 0 "[ ]"
1 5 C 0.000 0.000 . 0 "[ ]"
1 9 G 0.000 0.000 . 0 "[ ]"
1 10 C 0.071 0.047 1 0 "[ ]"
1 11 A 0.008 0.008 1 0 "[ ]"
1 12 C 0.015 0.009 1 0 "[ ]"
1 13 C 0.000 0.000 . 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 13 C H41 1.700 . 1.800 1.622 1.622 1.622 . 0 0 "[ ]" 5
2 1 1 G H21 1 13 C N3 3.000 2.900 3.100 3.022 3.022 3.022 . 0 0 "[ ]" 5
3 1 1 G H21 1 13 C O2 2.000 . 2.100 1.930 1.930 1.930 . 0 0 "[ ]" 5
4 1 1 G H1 1 13 C N3 1.900 . 2.000 1.881 1.881 1.881 . 0 0 "[ ]" 5
5 1 2 G O6 1 12 C H41 1.700 . 1.800 1.720 1.720 1.720 . 0 0 "[ ]" 5
6 1 2 G H21 1 12 C N3 3.000 2.900 3.100 3.106 3.106 3.106 0.006 1 0 "[ ]" 5
7 1 2 G H21 1 12 C O2 2.000 . 2.100 2.109 2.109 2.109 0.009 1 0 "[ ]" 5
8 1 2 G H1 1 12 C N3 1.900 . 2.000 1.876 1.876 1.876 . 0 0 "[ ]" 5
9 1 3 U O2 1 11 A H2 3.200 3.100 3.300 3.103 3.103 3.103 . 0 0 "[ ]" 5
10 1 3 U H3 1 11 A N1 1.900 . 2.000 1.852 1.852 1.852 . 0 0 "[ ]" 5
11 1 3 U O4 1 11 A H61 1.800 . 1.900 1.692 1.692 1.692 0.008 1 0 "[ ]" 5
12 1 4 G O6 1 10 C H41 1.700 . 1.800 1.847 1.847 1.847 0.047 1 0 "[ ]" 5
13 1 4 G H21 1 10 C N3 3.000 2.900 3.100 3.124 3.124 3.124 0.024 1 0 "[ ]" 5
14 1 4 G H21 1 10 C O2 2.000 . 2.100 1.900 1.900 1.900 . 0 0 "[ ]" 5
15 1 4 G H1 1 10 C N3 1.900 . 2.000 1.994 1.994 1.994 . 0 0 "[ ]" 5
16 1 5 C H41 1 9 G O6 1.700 . 3.700 3.076 3.076 3.076 . 0 0 "[ ]" 5
17 1 5 C N3 1 9 G H21 3.000 2.900 5.000 3.478 3.478 3.478 . 0 0 "[ ]" 5
18 1 5 C O2 1 9 G H21 2.000 . 4.000 3.225 3.225 3.225 . 0 0 "[ ]" 5
19 1 5 C N3 1 9 G H1 1.900 . 3.900 2.014 2.014 2.014 . 0 0 "[ ]" 5
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 28, 2024 8:03:13 PM GMT (wattos1)