NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
470011 |
1aju   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1aju
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 410
_Distance_constraint_stats_list.Viol_count 810
_Distance_constraint_stats_list.Viol_total 19203.117
_Distance_constraint_stats_list.Viol_max 9.917
_Distance_constraint_stats_list.Viol_rms 0.7130
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1171
_Distance_constraint_stats_list.Viol_average_violations_only 1.1854
_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 150.088 8.269 4 20 [***+-***************]
1 2 G 0.053 0.013 3 0 "[ . 1 . 2]"
1 3 C 19.200 1.363 13 19 "[ *******-***+*******]"
1 4 C 0.455 0.307 13 0 "[ . 1 . 2]"
1 5 A 6.788 0.612 3 3 "[ +-. 1 . *]"
1 6 G 0.242 0.036 19 0 "[ . 1 . 2]"
1 7 A 113.249 3.688 14 20 [*************+*****-]
1 10 G 173.366 3.688 14 20 [*************+*****-]
1 11 A 61.141 2.651 19 20 [****-*************+*]
1 12 G 0.942 0.148 15 0 "[ . 1 . 2]"
1 13 C 11.686 1.159 19 8 "[ ** * * -. * +*]"
1 14 C 27.583 1.587 18 15 "[ ******* **-* *+**]"
1 15 U 21.086 1.587 18 13 "[ *****1 **** *+*-]"
1 16 G 75.082 5.856 8 20 [******-+************]
1 17 G 75.048 5.856 8 20 [******-+************]
1 18 G 397.983 9.917 4 20 [***+****************]
1 19 A 73.640 5.269 12 20 [***********+***-****]
1 20 G 418.821 9.917 4 20 [***+************-***]
1 21 C 42.754 3.989 20 16 "[******-* ****** *+]"
1 22 U 3.431 0.407 20 0 "[ . 1 . 2]"
1 23 C 17.537 1.164 7 20 [******+************-]
1 24 U 17.534 1.164 7 20 [******+************-]
1 25 C 0.242 0.042 3 0 "[ . 1 . 2]"
1 26 U 0.129 0.012 13 0 "[ . 1 . 2]"
1 27 G 1.894 0.575 15 1 "[ . 1 + 2]"
1 28 G 147.699 8.269 4 20 [***+**********-*****]
1 29 C 0.619 0.218 19 0 "[ . 1 . 2]"
1 30 C 24.682 1.980 4 18 "[***+-******* ***** *]"
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' 2.400 . 3.000 2.783 2.756 2.792 . 0 0 "[ . 1 . 2]" 1
2 1 1 G H1' 1 1 G H3' 2.900 . 4.000 3.857 3.766 3.874 . 0 0 "[ . 1 . 2]" 1
3 1 1 G H2' 1 1 G H3' 2.400 . 3.000 2.400 2.394 2.415 . 0 0 "[ . 1 . 2]" 1
4 1 1 G H1' 1 1 G H4' 2.900 . 4.000 3.487 3.410 3.545 . 0 0 "[ . 1 . 2]" 1
5 1 1 G H2' 1 1 G H4' 2.900 . 4.000 3.834 3.791 3.841 . 0 0 "[ . 1 . 2]" 1
6 1 1 G H3' 1 1 G H4' 2.400 . 3.000 3.001 2.998 3.013 0.013 4 0 "[ . 1 . 2]" 1
7 1 1 G H3' 1 1 G Q5' 3.900 . 5.000 2.378 2.297 2.604 . 0 0 "[ . 1 . 2]" 1
8 1 1 G H4' 1 1 G Q5' 2.900 . 4.000 2.311 2.143 2.406 . 0 0 "[ . 1 . 2]" 1
9 1 1 G H1' 1 1 G H8 2.900 . 4.000 3.724 3.685 3.832 . 0 0 "[ . 1 . 2]" 1
10 1 1 G H2' 1 1 G H8 3.400 . 5.000 3.975 3.589 4.065 . 0 0 "[ . 1 . 2]" 1
11 1 1 G H3' 1 1 G H8 2.900 . 4.000 2.916 2.439 3.030 . 0 0 "[ . 1 . 2]" 1
12 1 1 G H4' 1 1 G H8 3.400 . 5.000 4.214 4.157 4.322 . 0 0 "[ . 1 . 2]" 1
13 1 1 G Q5' 1 1 G H8 3.900 . 5.000 2.325 2.135 3.314 . 0 0 "[ . 1 . 2]" 1
14 1 1 G H2' 1 2 G H1' 3.400 . 5.000 3.624 2.855 3.863 . 0 0 "[ . 1 . 2]" 1
15 1 2 G H1' 1 2 G H2' 2.400 . 3.000 2.780 2.750 2.825 . 0 0 "[ . 1 . 2]" 1
16 1 2 G H1' 1 2 G H3' 2.900 . 4.000 3.838 3.778 3.909 . 0 0 "[ . 1 . 2]" 1
17 1 2 G H1' 1 2 G H4' 2.900 . 4.000 3.493 3.349 3.605 . 0 0 "[ . 1 . 2]" 1
18 1 2 G H3' 1 2 G H4' 2.400 . 3.000 3.001 2.994 3.013 0.013 3 0 "[ . 1 . 2]" 1
19 1 1 G H2' 1 2 G Q5' 3.900 . 5.000 3.219 2.390 4.200 . 0 0 "[ . 1 . 2]" 1
20 1 2 G H1' 1 2 G Q5' 3.900 . 5.000 4.297 4.195 4.392 . 0 0 "[ . 1 . 2]" 1
21 1 2 G H3' 1 2 G Q5' 3.400 . 4.000 2.414 2.269 2.821 . 0 0 "[ . 1 . 2]" 1
22 1 2 G H4' 1 2 G Q5' 2.900 . 3.000 2.274 2.154 2.436 . 0 0 "[ . 1 . 2]" 1
23 1 3 C H1' 1 3 C H2' 2.400 . 3.000 2.807 2.748 2.848 . 0 0 "[ . 1 . 2]" 1
24 1 3 C H1' 1 3 C H3' 2.900 . 4.000 3.866 3.773 3.900 . 0 0 "[ . 1 . 2]" 1
25 1 3 C H2' 1 3 C H3' 2.400 . 3.000 2.398 2.383 2.414 . 0 0 "[ . 1 . 2]" 1
26 1 3 C H2' 1 3 C H4' 3.400 . 5.000 3.818 3.789 3.844 . 0 0 "[ . 1 . 2]" 1
27 1 2 G H2' 1 3 C H6 2.400 . 3.000 2.313 2.066 2.819 . 0 0 "[ . 1 . 2]" 1
28 1 2 G H3' 1 3 C H6 2.900 . 4.000 3.271 2.644 3.958 . 0 0 "[ . 1 . 2]" 1
29 1 3 C H1' 1 3 C H6 3.400 . 5.000 3.539 3.455 3.603 . 0 0 "[ . 1 . 2]" 1
30 1 3 C H3' 1 3 C H6 2.900 . 4.000 2.961 2.743 3.049 . 0 0 "[ . 1 . 2]" 1
31 1 3 C Q5' 1 3 C H6 3.900 . 5.000 2.685 1.963 3.447 . 0 0 "[ . 1 . 2]" 1
32 1 3 C H2' 1 4 C H1' 3.400 . 5.000 3.714 2.528 4.267 . 0 0 "[ . 1 . 2]" 1
33 1 4 C H1' 1 4 C H2' 2.400 . 3.000 2.776 2.734 2.861 . 0 0 "[ . 1 . 2]" 1
34 1 3 C H2' 1 4 C H3' 3.400 . 5.000 4.746 4.312 5.307 0.307 13 0 "[ . 1 . 2]" 1
35 1 4 C H1' 1 4 C H3' 2.900 . 4.000 3.851 3.802 3.898 . 0 0 "[ . 1 . 2]" 1
36 1 4 C H2' 1 4 C H3' 2.400 . 3.000 2.403 2.383 2.412 . 0 0 "[ . 1 . 2]" 1
37 1 4 C H1' 1 4 C H4' 2.900 . 4.000 3.519 3.190 3.687 . 0 0 "[ . 1 . 2]" 1
38 1 4 C H2' 1 4 C H4' 2.900 . 4.000 3.842 3.766 3.889 . 0 0 "[ . 1 . 2]" 1
39 1 4 C H3' 1 4 C H4' 2.400 . 3.000 2.998 2.981 3.017 0.017 8 0 "[ . 1 . 2]" 1
40 1 4 C H3' 1 4 C Q5' 3.400 . 5.000 2.390 2.181 2.875 . 0 0 "[ . 1 . 2]" 1
41 1 4 C H4' 1 4 C Q5' 2.900 . 4.000 2.296 2.155 2.529 . 0 0 "[ . 1 . 2]" 1
42 1 4 C H2' 1 5 A H1' 3.400 . 5.000 3.974 3.310 4.904 . 0 0 "[ . 1 . 2]" 1
43 1 5 A H1' 1 5 A H2' 2.400 . 3.000 2.805 2.758 2.834 . 0 0 "[ . 1 . 2]" 1
44 1 4 C H2' 1 5 A H3' 3.400 . 5.000 4.513 4.299 4.799 . 0 0 "[ . 1 . 2]" 1
45 1 5 A H1' 1 5 A H3' 3.400 . 5.000 3.870 3.830 3.900 . 0 0 "[ . 1 . 2]" 1
46 1 5 A H2' 1 5 A H3' 2.400 . 3.000 2.397 2.385 2.408 . 0 0 "[ . 1 . 2]" 1
47 1 5 A H1' 1 5 A H4' 2.900 . 4.000 3.401 3.305 3.580 . 0 0 "[ . 1 . 2]" 1
48 1 5 A H3' 1 5 A H4' 2.400 . 3.000 3.004 2.996 3.009 0.009 10 0 "[ . 1 . 2]" 1
49 1 4 C H2' 1 5 A Q5' 3.900 . 5.000 2.908 2.493 3.734 . 0 0 "[ . 1 . 2]" 1
50 1 5 A H3' 1 5 A Q5' 3.900 . 5.000 2.727 2.213 2.983 . 0 0 "[ . 1 . 2]" 1
51 1 5 A H4' 1 5 A Q5' 2.900 . 3.000 2.185 2.147 2.351 . 0 0 "[ . 1 . 2]" 1
52 1 4 C H1' 1 5 A H8 3.400 . 5.000 4.613 4.394 4.867 . 0 0 "[ . 1 . 2]" 1
53 1 4 C H2' 1 5 A H8 2.400 . 3.000 2.103 1.980 2.349 . 0 0 "[ . 1 . 2]" 1
54 1 4 C H3' 1 5 A H8 2.900 . 4.000 2.869 2.487 3.581 . 0 0 "[ . 1 . 2]" 1
55 1 5 A H1' 1 5 A H8 3.400 . 5.000 3.646 3.537 3.737 . 0 0 "[ . 1 . 2]" 1
56 1 5 A H2' 1 5 A H8 3.400 . 5.000 4.153 3.909 4.386 . 0 0 "[ . 1 . 2]" 1
57 1 5 A H3' 1 5 A H8 2.400 . 3.000 3.329 3.077 3.612 0.612 3 3 "[ +-. 1 . *]" 1
58 1 5 A H4' 1 5 A H8 3.400 . 5.000 4.386 4.257 4.446 . 0 0 "[ . 1 . 2]" 1
59 1 5 A Q5' 1 5 A H8 3.900 . 5.000 3.345 2.460 3.647 . 0 0 "[ . 1 . 2]" 1
60 1 5 A H2' 1 6 G H1' 3.400 . 5.000 3.813 3.459 4.497 . 0 0 "[ . 1 . 2]" 1
61 1 6 G H1' 1 6 G H2' 2.400 . 3.000 2.778 2.720 2.838 . 0 0 "[ . 1 . 2]" 1
62 1 6 G H1' 1 6 G H3' 2.900 . 4.000 3.823 3.743 3.895 . 0 0 "[ . 1 . 2]" 1
63 1 6 G H2' 1 6 G H3' 2.400 . 3.000 2.411 2.385 2.434 . 0 0 "[ . 1 . 2]" 1
64 1 6 G H1' 1 6 G H4' 2.900 . 4.000 3.468 3.280 3.655 . 0 0 "[ . 1 . 2]" 1
65 1 6 G H2' 1 6 G H4' 2.900 . 4.000 3.808 3.774 3.837 . 0 0 "[ . 1 . 2]" 1
66 1 6 G H3' 1 6 G H4' 2.400 . 3.000 3.006 2.998 3.012 0.012 14 0 "[ . 1 . 2]" 1
67 1 6 G H3' 1 6 G Q5' 3.900 . 5.000 2.613 2.227 2.890 . 0 0 "[ . 1 . 2]" 1
68 1 5 A H1' 1 6 G H8 3.400 . 5.000 4.910 4.695 5.036 0.036 19 0 "[ . 1 . 2]" 1
69 1 5 A H2' 1 6 G H8 2.400 . 3.000 2.341 2.046 2.773 . 0 0 "[ . 1 . 2]" 1
70 1 5 A H3' 1 6 G H8 3.400 . 5.000 3.204 2.502 4.010 . 0 0 "[ . 1 . 2]" 1
71 1 5 A H8 1 6 G H8 3.400 . 6.000 5.025 4.457 5.573 . 0 0 "[ . 1 . 2]" 1
72 1 6 G H1' 1 6 G H8 3.400 . 5.000 3.670 3.590 3.753 . 0 0 "[ . 1 . 2]" 1
73 1 6 G H2' 1 6 G H8 3.400 . 5.000 4.105 3.805 4.318 . 0 0 "[ . 1 . 2]" 1
74 1 6 G H3' 1 6 G H8 2.900 . 4.000 3.054 3.015 3.103 . 0 0 "[ . 1 . 2]" 1
75 1 6 G H4' 1 6 G H8 3.400 . 5.000 4.262 4.079 4.398 . 0 0 "[ . 1 . 2]" 1
76 1 6 G H2' 1 7 A Q5' 2.900 . 5.000 3.052 2.150 3.530 . 0 0 "[ . 1 . 2]" 1
77 1 7 A H1' 1 10 G H2' 2.900 . 4.000 4.096 2.790 5.196 1.196 14 5 "[ . 1*- +* * 2]" 1
78 1 7 A H1' 1 10 G H4' 3.400 . 5.000 7.180 5.135 8.400 3.400 15 19 "[** ***********+***-*]" 1
79 1 7 A H1' 1 10 G Q5' 2.900 . 4.000 6.472 5.226 7.688 3.688 14 20 [**-**********+******] 1
80 1 7 A H4' 1 10 G Q5' 3.400 . 5.000 5.599 4.229 7.868 2.868 17 11 "[* * 1******+* -]" 1
81 1 7 A H1' 1 7 A H2' 2.400 . 3.000 2.791 2.746 2.853 . 0 0 "[ . 1 . 2]" 1
82 1 7 A H1' 1 7 A H3' 3.400 . 5.000 3.844 3.778 3.910 . 0 0 "[ . 1 . 2]" 1
83 1 7 A H2' 1 7 A H3' 2.400 . 3.000 2.401 2.382 2.421 . 0 0 "[ . 1 . 2]" 1
84 1 7 A H3' 1 7 A Q5' 3.400 . 5.000 2.494 2.314 2.918 . 0 0 "[ . 1 . 2]" 1
85 1 7 A H1' 1 7 A H4' 2.400 . 4.000 3.450 3.239 3.649 . 0 0 "[ . 1 . 2]" 1
86 1 7 A H2' 1 7 A H4' 2.900 . 4.000 3.826 3.772 3.885 . 0 0 "[ . 1 . 2]" 1
87 1 7 A H3' 1 7 A H4' 2.400 . 3.000 3.003 2.987 3.015 0.015 19 0 "[ . 1 . 2]" 1
88 1 7 A H1' 1 7 A Q5' 3.650 . 5.000 4.286 4.162 4.444 . 0 0 "[ . 1 . 2]" 1
89 1 7 A H4' 1 7 A Q5' 2.650 . 3.000 2.277 2.153 2.473 . 0 0 "[ . 1 . 2]" 1
90 1 10 G H1' 1 10 G H2' 2.500 . 3.000 2.940 2.936 2.943 . 0 0 "[ . 1 . 2]" 1
91 1 10 G H1' 1 10 G H4' 2.400 . 4.000 3.133 3.124 3.143 . 0 0 "[ . 1 . 2]" 1
92 1 10 G H2' 1 10 G H4' 3.400 . 5.000 2.674 2.668 2.677 . 0 0 "[ . 1 . 2]" 1
93 1 10 G H1' 1 10 G Q5' 3.900 . 5.000 3.974 3.957 4.048 . 0 0 "[ . 1 . 2]" 1
94 1 10 G H2' 1 10 G Q5' 3.900 . 6.000 2.523 2.336 2.808 . 0 0 "[ . 1 . 2]" 1
95 1 10 G H4' 1 10 G Q5' 2.900 . 3.000 2.274 2.124 2.401 . 0 0 "[ . 1 . 2]" 1
96 1 10 G H2' 1 11 A H1' 3.900 . 6.000 6.733 6.016 7.428 1.428 5 14 "[ ***+ - *** ***** *2]" 1
97 1 11 A H1' 1 11 A H2' 2.400 . 3.000 2.768 2.756 2.785 . 0 0 "[ . 1 . 2]" 1
98 1 10 G H2' 1 11 A H3' 3.900 . 6.000 5.565 4.745 6.542 0.542 5 1 "[ + 1 . 2]" 1
99 1 11 A H1' 1 11 A H3' 2.900 . 4.000 3.854 3.836 3.884 . 0 0 "[ . 1 . 2]" 1
100 1 11 A H2' 1 11 A H3' 2.400 . 3.000 2.402 2.393 2.409 . 0 0 "[ . 1 . 2]" 1
101 1 11 A H1' 1 11 A H4' 2.900 . 4.000 3.516 3.425 3.587 . 0 0 "[ . 1 . 2]" 1
102 1 11 A H2' 1 11 A H4' 3.400 . 5.000 3.840 3.814 3.849 . 0 0 "[ . 1 . 2]" 1
103 1 11 A H3' 1 11 A H4' 2.400 . 3.000 2.996 2.986 3.003 0.003 2 0 "[ . 1 . 2]" 1
104 1 10 G H2' 1 11 A Q5' 4.400 . 7.000 3.081 2.289 4.046 . 0 0 "[ . 1 . 2]" 1
105 1 11 A H3' 1 11 A Q5' 3.900 . 5.000 2.337 2.203 2.460 . 0 0 "[ . 1 . 2]" 1
106 1 11 A H4' 1 11 A Q5' 2.900 . 3.000 2.296 2.118 2.447 . 0 0 "[ . 1 . 2]" 1
107 1 10 G H1' 1 11 A H8 3.400 . 5.000 7.238 6.095 7.651 2.651 19 20 [-*****************+*] 1
108 1 10 G H2' 1 11 A H8 3.900 . 6.000 4.179 3.304 4.960 . 0 0 "[ . 1 . 2]" 1
109 1 11 A H1' 1 11 A H8 3.400 . 5.000 3.704 3.526 3.779 . 0 0 "[ . 1 . 2]" 1
110 1 11 A H2' 1 11 A H8 3.400 . 5.000 4.044 3.816 4.398 . 0 0 "[ . 1 . 2]" 1
111 1 11 A H3' 1 11 A H8 2.900 . 4.000 2.990 2.782 3.511 . 0 0 "[ . 1 . 2]" 1
112 1 11 A H4' 1 11 A H8 3.400 . 5.000 4.196 4.129 4.268 . 0 0 "[ . 1 . 2]" 1
113 1 11 A Q5' 1 11 A H8 3.900 . 5.000 2.366 2.067 3.370 . 0 0 "[ . 1 . 2]" 1
114 1 11 A H2' 1 12 G H1' 3.400 . 5.000 3.933 3.581 4.389 . 0 0 "[ . 1 . 2]" 1
115 1 12 G H1' 1 12 G H2' 2.400 . 3.000 2.772 2.751 2.827 . 0 0 "[ . 1 . 2]" 1
116 1 11 A H2' 1 12 G H3' 3.400 . 5.000 4.823 4.495 5.135 0.135 20 0 "[ . 1 . 2]" 1
117 1 12 G H1' 1 12 G H3' 3.400 . 5.000 3.846 3.781 3.868 . 0 0 "[ . 1 . 2]" 1
118 1 12 G H2' 1 12 G H3' 2.400 . 3.000 2.405 2.399 2.413 . 0 0 "[ . 1 . 2]" 1
119 1 12 G H1' 1 12 G H4' 2.900 . 4.000 3.533 3.291 3.588 . 0 0 "[ . 1 . 2]" 1
120 1 12 G H2' 1 12 G H4' 2.900 . 4.000 3.838 3.778 3.849 . 0 0 "[ . 1 . 2]" 1
121 1 12 G H3' 1 12 G H4' 2.400 . 3.000 2.998 2.992 3.011 0.011 8 0 "[ . 1 . 2]" 1
122 1 11 A H2' 1 12 G Q5' 3.900 . 5.000 3.097 2.444 3.702 . 0 0 "[ . 1 . 2]" 1
123 1 12 G H3' 1 12 G Q5' 3.400 . 4.000 2.364 2.235 2.936 . 0 0 "[ . 1 . 2]" 1
124 1 12 G H4' 1 12 G Q5' 2.900 . 3.000 2.302 2.152 2.373 . 0 0 "[ . 1 . 2]" 1
125 1 11 A H1' 1 12 G H8 2.900 . 5.000 5.019 4.941 5.044 0.044 4 0 "[ . 1 . 2]" 1
126 1 11 A H2' 1 12 G H8 2.400 . 3.000 2.727 2.598 2.866 . 0 0 "[ . 1 . 2]" 1
127 1 11 A H3' 1 12 G H8 2.900 . 4.000 3.677 2.973 4.148 0.148 15 0 "[ . 1 . 2]" 1
128 1 11 A H8 1 12 G H8 3.400 . 6.000 4.928 4.586 5.613 . 0 0 "[ . 1 . 2]" 1
129 1 12 G H1' 1 12 G H8 3.400 . 5.000 3.646 3.557 3.739 . 0 0 "[ . 1 . 2]" 1
130 1 12 G H2' 1 12 G H8 3.400 . 5.000 4.202 3.905 4.374 . 0 0 "[ . 1 . 2]" 1
131 1 12 G H3' 1 12 G H8 2.900 . 4.000 3.196 2.967 3.451 . 0 0 "[ . 1 . 2]" 1
132 1 12 G H4' 1 12 G H8 3.400 . 5.000 4.237 4.167 4.392 . 0 0 "[ . 1 . 2]" 1
133 1 12 G Q5' 1 12 G H8 3.650 . 5.000 2.395 2.107 3.578 . 0 0 "[ . 1 . 2]" 1
134 1 12 G H2' 1 13 C H1' 3.400 . 5.000 3.672 3.395 4.195 . 0 0 "[ . 1 . 2]" 1
135 1 13 C H1' 1 13 C H2' 2.400 . 3.000 2.800 2.770 2.833 . 0 0 "[ . 1 . 2]" 1
136 1 13 C H1' 1 13 C H3' 2.900 . 4.000 3.871 3.817 3.907 . 0 0 "[ . 1 . 2]" 1
137 1 13 C H2' 1 13 C H3' 2.400 . 3.000 2.398 2.384 2.421 . 0 0 "[ . 1 . 2]" 1
138 1 13 C H1' 1 13 C H4' 2.900 . 4.000 3.431 3.340 3.540 . 0 0 "[ . 1 . 2]" 1
139 1 13 C H2' 1 13 C H4' 2.900 . 4.000 3.829 3.779 3.848 . 0 0 "[ . 1 . 2]" 1
140 1 13 C H2' 1 14 C H1' 2.400 . 5.000 3.901 2.324 4.832 . 0 0 "[ . 1 . 2]" 1
141 1 13 C H2' 1 14 C H2' 2.400 . 5.000 5.506 4.714 6.159 1.159 19 8 "[ ** * * -. * +*]" 1
142 1 14 C H1' 1 14 C H2' 2.400 . 3.000 2.796 2.730 2.869 . 0 0 "[ . 1 . 2]" 1
143 1 14 C H1' 1 14 C H3' 3.400 . 5.000 3.856 3.745 3.905 . 0 0 "[ . 1 . 2]" 1
144 1 14 C H2' 1 14 C H3' 2.400 . 3.000 2.401 2.379 2.437 . 0 0 "[ . 1 . 2]" 1
145 1 13 C H2' 1 14 C H4' 2.900 . 5.000 4.567 4.022 5.694 0.694 10 1 "[ . + . 2]" 1
146 1 14 C H1' 1 14 C H4' 2.900 . 4.000 3.455 3.206 3.687 . 0 0 "[ . 1 . 2]" 1
147 1 14 C H2' 1 14 C H4' 3.400 . 5.000 3.830 3.781 3.869 . 0 0 "[ . 1 . 2]" 1
148 1 14 C H3' 1 14 C H4' 2.400 . 3.000 3.001 2.988 3.012 0.012 3 0 "[ . 1 . 2]" 1
149 1 14 C H3' 1 14 C Q5' 3.900 . 5.000 2.537 2.212 2.924 . 0 0 "[ . 1 . 2]" 1
150 1 14 C H4' 1 14 C Q5' 3.400 . 4.000 2.206 2.155 2.360 . 0 0 "[ . 1 . 2]" 1
151 1 13 C H1' 1 14 C H6 3.400 . 5.000 4.862 4.457 5.048 0.048 8 0 "[ . 1 . 2]" 1
152 1 13 C H2' 1 14 C H6 2.400 . 3.000 2.246 1.932 2.745 . 0 0 "[ . 1 . 2]" 1
153 1 14 C H1' 1 14 C H6 3.400 . 5.000 3.473 3.199 3.692 . 0 0 "[ . 1 . 2]" 1
154 1 14 C H3' 1 14 C H6 3.400 . 5.000 3.078 2.255 3.737 . 0 0 "[ . 1 . 2]" 1
155 1 14 C H4' 1 14 C H6 3.400 . 6.000 4.073 3.928 4.190 . 0 0 "[ . 1 . 2]" 1
156 1 15 U H1' 1 15 U H2' 2.400 . 3.000 3.063 3.057 3.069 0.069 3 0 "[ . 1 . 2]" 1
157 1 15 U H1' 1 15 U H3' 3.400 . 5.000 3.830 3.767 3.867 . 0 0 "[ . 1 . 2]" 1
158 1 15 U H1' 1 15 U H4' 2.900 . 4.000 3.325 3.165 3.401 . 0 0 "[ . 1 . 2]" 1
159 1 15 U H2' 1 15 U H4' 3.400 . 5.000 3.829 3.803 3.844 . 0 0 "[ . 1 . 2]" 1
160 1 15 U H3' 1 15 U H4' 2.400 . 3.000 2.697 2.674 2.727 . 0 0 "[ . 1 . 2]" 1
161 1 14 C H2' 1 15 U Q5' 3.900 . 6.000 2.975 1.906 4.171 . 0 0 "[ . 1 . 2]" 1
162 1 15 U H2' 1 15 U Q5' 3.900 . 6.000 3.088 2.455 3.647 . 0 0 "[ . 1 . 2]" 1
163 1 15 U H3' 1 15 U Q5' 3.900 . 6.000 2.416 2.179 2.921 . 0 0 "[ . 1 . 2]" 1
164 1 15 U H4' 1 15 U Q5' 2.900 . 4.000 2.208 2.119 2.476 . 0 0 "[ . 1 . 2]" 1
165 1 14 C H2' 1 15 U H6 3.400 . 5.000 2.533 2.048 3.074 . 0 0 "[ . 1 . 2]" 1
166 1 14 C H4' 1 15 U H6 3.400 . 5.000 5.786 4.875 6.587 1.587 18 13 "[ ****-1 **** *+**]" 1
167 1 15 U H1' 1 15 U H6 2.900 . 4.000 3.502 3.157 3.720 . 0 0 "[ . 1 . 2]" 1
168 1 15 U H3' 1 15 U H6 2.900 . 5.000 4.551 4.244 4.968 . 0 0 "[ . 1 . 2]" 1
169 1 15 U H4' 1 15 U H6 2.900 . 5.000 4.727 4.175 5.552 0.552 8 3 "[ . + 1 * -]" 1
170 1 15 U Q5' 1 15 U H6 2.900 . 5.000 3.722 2.398 5.444 0.444 15 0 "[ . 1 . 2]" 1
171 1 16 G H1' 1 16 G H2' 2.400 . 3.000 3.065 3.059 3.071 0.071 19 0 "[ . 1 . 2]" 1
172 1 16 G H1' 1 16 G H3' 3.400 . 5.000 3.834 3.788 3.870 . 0 0 "[ . 1 . 2]" 1
173 1 16 G H2' 1 16 G H3' 2.400 . 3.000 2.419 2.411 2.429 . 0 0 "[ . 1 . 2]" 1
174 1 16 G H1' 1 16 G H4' 2.900 . 4.000 3.326 3.179 3.407 . 0 0 "[ . 1 . 2]" 1
175 1 16 G H2' 1 16 G H4' 3.400 . 5.000 3.836 3.820 3.843 . 0 0 "[ . 1 . 2]" 1
176 1 16 G H3' 1 16 G H4' 2.400 . 3.000 2.702 2.682 2.732 . 0 0 "[ . 1 . 2]" 1
177 1 15 U H2' 1 16 G Q5' 3.900 . 6.000 4.424 3.196 5.376 . 0 0 "[ . 1 . 2]" 1
178 1 16 G H1' 1 16 G Q5' 3.900 . 6.000 4.131 3.985 4.282 . 0 0 "[ . 1 . 2]" 1
179 1 16 G H2' 1 16 G Q5' 3.900 . 6.000 2.920 2.501 3.533 . 0 0 "[ . 1 . 2]" 1
180 1 16 G H3' 1 16 G Q5' 3.400 . 5.000 2.377 2.166 2.857 . 0 0 "[ . 1 . 2]" 1
181 1 16 G H4' 1 16 G Q5' 2.900 . 4.000 2.260 2.125 2.514 . 0 0 "[ . 1 . 2]" 1
182 1 17 G H1' 1 17 G H2' 2.400 . 3.000 3.061 3.047 3.070 0.070 15 0 "[ . 1 . 2]" 1
183 1 17 G H1' 1 17 G H3' 3.400 . 5.000 3.859 3.807 3.933 . 0 0 "[ . 1 . 2]" 1
184 1 17 G H2' 1 17 G H3' 2.900 . 4.000 2.424 2.412 2.434 . 0 0 "[ . 1 . 2]" 1
185 1 17 G H2' 1 17 G H4' 3.400 . 5.000 3.826 3.804 3.843 . 0 0 "[ . 1 . 2]" 1
186 1 17 G H3' 1 17 G H4' 2.400 . 3.000 2.676 2.637 2.725 . 0 0 "[ . 1 . 2]" 1
187 1 17 G H1' 1 17 G Q5' 3.900 . 5.000 3.998 3.891 4.302 . 0 0 "[ . 1 . 2]" 1
188 1 17 G H2' 1 17 G Q5' 3.900 . 5.000 2.689 2.346 3.426 . 0 0 "[ . 1 . 2]" 1
189 1 17 G H3' 1 17 G Q5' 3.400 . 5.000 2.608 2.202 3.053 . 0 0 "[ . 1 . 2]" 1
190 1 17 G H4' 1 17 G Q5' 2.900 . 3.000 2.317 2.157 2.523 . 0 0 "[ . 1 . 2]" 1
191 1 16 G H1' 1 17 G H8 2.900 . 4.000 7.689 5.454 9.856 5.856 8 20 [******-+************] 1
192 1 17 G H1' 1 17 G H8 3.400 . 5.000 3.799 3.648 3.877 . 0 0 "[ . 1 . 2]" 1
193 1 17 G H2' 1 17 G H8 2.900 . 4.000 3.012 2.071 3.674 . 0 0 "[ . 1 . 2]" 1
194 1 17 G H3' 1 17 G H8 3.400 . 5.000 4.745 4.321 5.026 0.026 17 0 "[ . 1 . 2]" 1
195 1 17 G H4' 1 17 G H8 2.900 . 5.000 4.547 4.259 5.003 0.003 19 0 "[ . 1 . 2]" 1
196 1 18 G H1' 1 18 G H2' 2.400 . 3.000 3.064 3.061 3.069 0.069 8 0 "[ . 1 . 2]" 1
197 1 18 G H1' 1 18 G H3' 2.900 . 4.000 3.845 3.810 3.868 . 0 0 "[ . 1 . 2]" 1
198 1 18 G H2' 1 18 G H3' 2.900 . 3.000 2.419 2.412 2.426 . 0 0 "[ . 1 . 2]" 1
199 1 18 G H1' 1 18 G H4' 2.900 . 4.000 3.351 3.257 3.412 . 0 0 "[ . 1 . 2]" 1
200 1 18 G H3' 1 18 G H4' 2.400 . 3.000 2.697 2.683 2.716 . 0 0 "[ . 1 . 2]" 1
201 1 18 G H1' 1 18 G Q5' 3.900 . 5.000 4.169 3.972 4.320 . 0 0 "[ . 1 . 2]" 1
202 1 18 G H3' 1 18 G Q5' 3.900 . 5.000 2.360 2.182 2.635 . 0 0 "[ . 1 . 2]" 1
203 1 18 G H4' 1 18 G Q5' 2.900 . 3.000 2.253 2.143 2.520 . 0 0 "[ . 1 . 2]" 1
204 1 18 G H1' 1 18 G H8 2.900 . 4.000 3.814 3.653 3.881 . 0 0 "[ . 1 . 2]" 1
205 1 18 G H2' 1 18 G H8 2.400 . 3.000 2.830 2.105 3.593 0.593 3 2 "[ +-. 1 . 2]" 1
206 1 18 G H3' 1 18 G H8 3.400 . 5.000 4.673 4.345 5.064 0.064 3 0 "[ . 1 . 2]" 1
207 1 18 G Q5' 1 18 G H8 3.900 . 6.000 3.377 2.645 3.943 . 0 0 "[ . 1 . 2]" 1
208 1 19 A H1' 1 19 A H2' 2.400 . 3.000 3.065 3.060 3.071 0.071 2 0 "[ . 1 . 2]" 1
209 1 19 A H1' 1 19 A H3' 3.400 . 5.000 3.835 3.795 3.867 . 0 0 "[ . 1 . 2]" 1
210 1 19 A H1' 1 19 A H4' 2.900 . 4.000 3.339 3.183 3.406 . 0 0 "[ . 1 . 2]" 1
211 1 19 A H2' 1 19 A H4' 2.900 . 4.000 3.832 3.807 3.843 . 0 0 "[ . 1 . 2]" 1
212 1 19 A H3' 1 19 A H4' 2.400 . 3.000 2.698 2.680 2.730 . 0 0 "[ . 1 . 2]" 1
213 1 18 G H3' 1 19 A Q5' 3.900 . 6.000 3.565 2.049 4.871 . 0 0 "[ . 1 . 2]" 1
214 1 19 A H1' 1 19 A Q5' 3.900 . 6.000 4.083 3.952 4.316 . 0 0 "[ . 1 . 2]" 1
215 1 19 A H2' 1 19 A Q5' 3.900 . 6.000 2.876 2.497 3.496 . 0 0 "[ . 1 . 2]" 1
216 1 19 A H3' 1 19 A Q5' 3.900 . 6.000 2.507 2.164 2.856 . 0 0 "[ . 1 . 2]" 1
217 1 19 A H4' 1 19 A Q5' 2.900 . 4.000 2.289 2.132 2.514 . 0 0 "[ . 1 . 2]" 1
218 1 18 G H3' 1 19 A H8 3.400 . 5.000 6.775 3.203 10.269 5.269 12 16 "[*** ****-* + ***** *]" 1
219 1 19 A H1' 1 19 A H8 3.400 . 5.000 3.496 3.137 3.870 . 0 0 "[ . 1 . 2]" 1
220 1 19 A H2' 1 19 A H8 2.900 . 5.000 2.609 2.020 3.071 . 0 0 "[ . 1 . 2]" 1
221 1 19 A H3' 1 19 A H8 2.900 . 5.000 4.769 4.423 5.048 0.048 12 0 "[ . 1 . 2]" 1
222 1 19 A H4' 1 19 A H8 3.400 . 5.000 5.445 4.466 5.872 0.872 15 12 "[*** * ** 1 * *+-* *]" 1
223 1 19 A Q5' 1 19 A H8 3.900 . 5.000 4.326 2.553 5.303 0.303 5 0 "[ . 1 . 2]" 1
224 1 18 G H1' 1 20 G H1' 3.400 . 5.000 12.110 8.304 14.917 9.917 4 20 [***+********-*******] 1
225 1 20 G H1' 1 20 G H2' 2.400 . 3.000 2.956 2.730 3.064 0.064 11 0 "[ . 1 . 2]" 1
226 1 20 G H1' 1 20 G H3' 3.400 . 5.000 3.861 3.789 3.902 . 0 0 "[ . 1 . 2]" 1
227 1 20 G H2' 1 20 G H3' 2.400 . 3.000 2.417 2.385 2.435 . 0 0 "[ . 1 . 2]" 1
228 1 20 G H1' 1 20 G H4' 3.400 . 5.000 3.517 3.379 3.751 . 0 0 "[ . 1 . 2]" 1
229 1 20 G H2' 1 20 G H4' 3.400 . 5.000 3.840 3.805 3.959 . 0 0 "[ . 1 . 2]" 1
230 1 20 G H3' 1 20 G H4' 2.400 . 3.000 2.776 2.638 3.005 0.005 9 0 "[ . 1 . 2]" 1
231 1 20 G H3' 1 20 G Q5' 3.900 . 5.000 2.425 2.161 2.948 . 0 0 "[ . 1 . 2]" 1
232 1 20 G H4' 1 20 G Q5' 2.900 . 3.000 2.270 2.122 2.492 . 0 0 "[ . 1 . 2]" 1
233 1 18 G H1' 1 20 G H8 3.400 . 6.000 10.144 6.893 12.553 6.553 4 20 [***+***-************] 1
234 1 19 A H2' 1 20 G H8 3.400 . 6.000 5.177 3.208 6.496 0.496 14 0 "[ . 1 . 2]" 1
235 1 19 A H3' 1 20 G H8 3.400 . 6.000 4.347 2.267 5.019 . 0 0 "[ . 1 . 2]" 1
236 1 18 G H8 1 20 G H8 3.400 . 6.000 12.454 8.713 15.720 9.720 14 20 [********-****+******] 1
237 1 19 A H8 1 20 G H8 3.400 . 6.000 6.725 4.533 8.928 2.928 6 12 "[ **.+ ** ****- **]" 1
238 1 20 G H1' 1 20 G H8 3.400 . 5.000 3.764 3.399 3.887 . 0 0 "[ . 1 . 2]" 1
239 1 20 G H2' 1 20 G H8 3.400 . 5.000 3.215 2.237 4.596 . 0 0 "[ . 1 . 2]" 1
240 1 20 G H3' 1 20 G H8 3.400 . 5.000 4.086 2.036 5.060 0.060 7 0 "[ . 1 . 2]" 1
241 1 20 G H4' 1 20 G H8 3.400 . 5.000 4.471 4.067 4.858 . 0 0 "[ . 1 . 2]" 1
242 1 20 G Q5' 1 20 G H8 3.900 . 5.000 2.913 2.060 4.409 . 0 0 "[ . 1 . 2]" 1
243 1 20 G H2' 1 21 C H1' 3.400 . 5.000 6.944 3.568 8.989 3.989 20 16 "[******-* ****** *+]" 1
244 1 21 C H1' 1 21 C H2' 2.400 . 3.000 2.775 2.740 2.821 . 0 0 "[ . 1 . 2]" 1
245 1 21 C H1' 1 21 C H3' 2.900 . 4.000 3.839 3.784 3.893 . 0 0 "[ . 1 . 2]" 1
246 1 21 C H1' 1 21 C H4' 2.900 . 4.000 3.519 3.309 3.668 . 0 0 "[ . 1 . 2]" 1
247 1 21 C H2' 1 22 U H1' 3.400 . 5.000 3.902 3.216 4.975 . 0 0 "[ . 1 . 2]" 1
248 1 22 U H1' 1 22 U H2' 2.400 . 3.000 2.799 2.766 2.835 . 0 0 "[ . 1 . 2]" 1
249 1 22 U H1' 1 22 U H3' 3.400 . 5.000 3.869 3.838 3.905 . 0 0 "[ . 1 . 2]" 1
250 1 22 U H2' 1 22 U H3' 2.400 . 3.000 2.397 2.380 2.408 . 0 0 "[ . 1 . 2]" 1
251 1 22 U H1' 1 22 U H4' 2.900 . 4.000 3.435 3.278 3.554 . 0 0 "[ . 1 . 2]" 1
252 1 22 U H2' 1 22 U H4' 3.400 . 5.000 3.828 3.789 3.852 . 0 0 "[ . 1 . 2]" 1
253 1 22 U H3' 1 22 U Q5' 3.400 . 4.000 2.582 2.246 2.968 . 0 0 "[ . 1 . 2]" 1
254 1 21 C H1' 1 22 U H6 2.900 . 5.000 4.927 4.658 5.027 0.027 15 0 "[ . 1 . 2]" 1
255 1 21 C H2' 1 22 U H6 2.400 . 3.000 2.410 1.990 3.014 0.014 19 0 "[ . 1 . 2]" 1
256 1 21 C H3' 1 22 U H6 2.900 . 4.000 2.959 2.263 3.656 . 0 0 "[ . 1 . 2]" 1
257 1 22 U H1' 1 22 U H6 2.900 . 4.000 3.489 3.380 3.591 . 0 0 "[ . 1 . 2]" 1
258 1 22 U H2' 1 22 U H6 3.400 . 5.000 4.037 3.743 4.275 . 0 0 "[ . 1 . 2]" 1
259 1 22 U H3' 1 22 U H6 2.400 . 3.000 3.134 2.836 3.407 0.407 20 0 "[ . 1 . 2]" 1
260 1 22 U H4' 1 22 U H6 3.400 . 5.000 4.066 4.002 4.146 . 0 0 "[ . 1 . 2]" 1
261 1 21 C H2' 1 22 U H5 3.900 . 6.000 4.180 3.781 5.096 . 0 0 "[ . 1 . 2]" 1
262 1 21 C H3' 1 22 U H5 3.400 . 5.000 3.603 2.924 4.725 . 0 0 "[ . 1 . 2]" 1
263 1 22 U H1' 1 22 U H5 3.650 . 6.000 5.267 5.203 5.342 . 0 0 "[ . 1 . 2]" 1
264 1 22 U H2' 1 23 C H1' 3.400 . 5.000 4.047 3.688 4.591 . 0 0 "[ . 1 . 2]" 1
265 1 23 C H1' 1 23 C H2' 2.400 . 3.000 2.798 2.739 2.842 . 0 0 "[ . 1 . 2]" 1
266 1 22 U H2' 1 23 C H3' 3.400 . 5.000 4.614 4.260 5.108 0.108 20 0 "[ . 1 . 2]" 1
267 1 23 C H1' 1 23 C H3' 3.400 . 5.000 3.859 3.774 3.886 . 0 0 "[ . 1 . 2]" 1
268 1 23 C H2' 1 23 C H3' 2.400 . 3.000 2.400 2.390 2.412 . 0 0 "[ . 1 . 2]" 1
269 1 22 U H2' 1 23 C H4' 3.400 . 5.000 4.115 3.566 4.729 . 0 0 "[ . 1 . 2]" 1
270 1 23 C H1' 1 23 C H4' 2.900 . 4.000 3.420 3.245 3.641 . 0 0 "[ . 1 . 2]" 1
271 1 23 C H2' 1 23 C H4' 3.400 . 5.000 3.815 3.764 3.855 . 0 0 "[ . 1 . 2]" 1
272 1 23 C H3' 1 23 C H4' 2.900 . 4.000 3.004 2.994 3.016 . 0 0 "[ . 1 . 2]" 1
273 1 22 U H2' 1 23 C Q5' 3.900 . 5.000 2.930 2.386 3.438 . 0 0 "[ . 1 . 2]" 1
274 1 23 C H1' 1 23 C Q5' 3.900 . 5.000 4.286 4.174 4.349 . 0 0 "[ . 1 . 2]" 1
275 1 23 C H3' 1 23 C Q5' 3.900 . 5.000 2.587 2.285 2.918 . 0 0 "[ . 1 . 2]" 1
276 1 23 C H4' 1 23 C Q5' 3.900 . 5.000 2.244 2.156 2.443 . 0 0 "[ . 1 . 2]" 1
277 1 22 U H1' 1 23 C H6 3.400 . 5.000 4.871 4.656 5.028 0.028 6 0 "[ . 1 . 2]" 1
278 1 22 U H2' 1 23 C H6 2.400 . 3.000 2.333 1.972 2.779 . 0 0 "[ . 1 . 2]" 1
279 1 22 U H3' 1 23 C H6 3.400 . 5.000 3.397 2.838 3.887 . 0 0 "[ . 1 . 2]" 1
280 1 22 U H6 1 23 C H6 3.400 . 6.000 5.116 4.588 5.562 . 0 0 "[ . 1 . 2]" 1
281 1 23 C H1' 1 23 C H6 3.400 . 5.000 3.529 3.448 3.576 . 0 0 "[ . 1 . 2]" 1
282 1 23 C H2' 1 23 C H6 3.400 . 5.000 3.959 3.790 4.210 . 0 0 "[ . 1 . 2]" 1
283 1 23 C H3' 1 23 C H6 2.900 . 4.000 2.981 2.801 3.048 . 0 0 "[ . 1 . 2]" 1
284 1 23 C H4' 1 23 C H6 3.400 . 5.000 4.043 3.898 4.178 . 0 0 "[ . 1 . 2]" 1
285 1 23 C Q5' 1 23 C H6 3.900 . 4.000 2.754 2.006 3.565 . 0 0 "[ . 1 . 2]" 1
286 1 22 U H2' 1 23 C H5 3.650 . 6.000 4.011 3.278 4.736 . 0 0 "[ . 1 . 2]" 1
287 1 22 U H6 1 23 C H5 3.650 . 6.000 4.705 4.018 5.392 . 0 0 "[ . 1 . 2]" 1
288 1 22 U H5 1 23 C H5 3.650 . 6.000 4.264 3.617 4.914 . 0 0 "[ . 1 . 2]" 1
289 1 23 C H1' 1 23 C H5 3.650 . 6.000 5.292 5.241 5.325 . 0 0 "[ . 1 . 2]" 1
290 1 23 C H2' 1 24 U H1' 3.400 . 5.000 3.559 3.337 3.811 . 0 0 "[ . 1 . 2]" 1
291 1 23 C H3' 1 24 U H1' 3.400 . 5.000 5.866 5.511 6.164 1.164 7 20 [******+************-] 1
292 1 24 U H1' 1 24 U H2' 2.400 . 3.000 2.789 2.759 2.836 . 0 0 "[ . 1 . 2]" 1
293 1 23 C H2' 1 24 U H3' 3.400 . 5.000 4.600 4.240 4.860 . 0 0 "[ . 1 . 2]" 1
294 1 24 U H1' 1 24 U H3' 2.900 . 4.000 3.860 3.829 3.895 . 0 0 "[ . 1 . 2]" 1
295 1 24 U H2' 1 24 U H3' 2.400 . 3.000 2.398 2.372 2.408 . 0 0 "[ . 1 . 2]" 1
296 1 24 U H1' 1 24 U H4' 2.900 . 4.000 3.459 3.250 3.573 . 0 0 "[ . 1 . 2]" 1
297 1 24 U H2' 1 24 U H4' 2.900 . 4.000 3.823 3.779 3.840 . 0 0 "[ . 1 . 2]" 1
298 1 23 C H2' 1 24 U Q5' 3.900 . 5.000 3.253 2.944 3.605 . 0 0 "[ . 1 . 2]" 1
299 1 24 U H3' 1 24 U Q5' 3.900 . 5.000 2.439 2.213 2.791 . 0 0 "[ . 1 . 2]" 1
300 1 23 C H1' 1 24 U H6 3.400 . 5.000 4.816 4.645 5.006 0.006 17 0 "[ . 1 . 2]" 1
301 1 23 C H2' 1 24 U H6 2.400 . 3.000 2.207 1.956 2.450 . 0 0 "[ . 1 . 2]" 1
302 1 23 C H3' 1 24 U H6 2.900 . 4.000 3.310 2.666 3.860 . 0 0 "[ . 1 . 2]" 1
303 1 23 C H6 1 24 U H6 3.400 . 6.000 5.045 4.663 5.411 . 0 0 "[ . 1 . 2]" 1
304 1 24 U H1' 1 24 U H6 3.400 . 5.000 3.511 3.450 3.584 . 0 0 "[ . 1 . 2]" 1
305 1 24 U H2' 1 24 U H6 3.400 . 5.000 4.021 3.766 4.188 . 0 0 "[ . 1 . 2]" 1
306 1 24 U H3' 1 24 U H6 2.900 . 4.000 3.053 2.894 3.222 . 0 0 "[ . 1 . 2]" 1
307 1 24 U H4' 1 24 U H6 3.400 . 5.000 4.034 3.958 4.180 . 0 0 "[ . 1 . 2]" 1
308 1 23 C H2' 1 24 U H5 3.400 . 6.000 3.978 3.631 4.304 . 0 0 "[ . 1 . 2]" 1
309 1 23 C H3' 1 24 U H5 3.150 . 5.000 4.017 2.749 4.853 . 0 0 "[ . 1 . 2]" 1
310 1 23 C H5 1 24 U H5 3.650 . 6.000 4.436 3.808 5.058 . 0 0 "[ . 1 . 2]" 1
311 1 23 C H6 1 24 U H5 3.650 . 6.000 4.774 4.001 5.304 . 0 0 "[ . 1 . 2]" 1
312 1 24 U H1' 1 24 U H5 3.650 . 6.000 5.278 5.239 5.322 . 0 0 "[ . 1 . 2]" 1
313 1 24 U H3' 1 24 U H5 3.650 . 6.000 4.777 4.673 5.003 . 0 0 "[ . 1 . 2]" 1
314 1 24 U H2' 1 25 C H1' 3.400 . 5.000 3.080 2.781 3.476 . 0 0 "[ . 1 . 2]" 1
315 1 25 C H1' 1 25 C H2' 2.400 . 3.000 2.797 2.744 2.878 . 0 0 "[ . 1 . 2]" 1
316 1 24 U H2' 1 25 C H3' 3.400 . 5.000 4.822 4.621 5.001 0.001 6 0 "[ . 1 . 2]" 1
317 1 25 C H1' 1 25 C H3' 2.900 . 4.000 3.859 3.792 3.900 . 0 0 "[ . 1 . 2]" 1
318 1 25 C H2' 1 25 C H3' 2.400 . 3.000 2.401 2.384 2.414 . 0 0 "[ . 1 . 2]" 1
319 1 24 U H1' 1 25 C H6 3.400 . 5.000 4.986 4.847 5.042 0.042 3 0 "[ . 1 . 2]" 1
320 1 24 U H2' 1 25 C H6 2.400 . 3.000 2.522 2.273 2.751 . 0 0 "[ . 1 . 2]" 1
321 1 24 U H3' 1 25 C H6 2.900 . 4.000 2.462 2.085 2.836 . 0 0 "[ . 1 . 2]" 1
322 1 24 U H6 1 25 C H6 3.400 . 6.000 4.469 4.156 4.842 . 0 0 "[ . 1 . 2]" 1
323 1 25 C H1' 1 25 C H6 3.400 . 5.000 3.432 3.359 3.535 . 0 0 "[ . 1 . 2]" 1
324 1 25 C H2' 1 25 C H6 3.400 . 5.000 4.149 3.916 4.253 . 0 0 "[ . 1 . 2]" 1
325 1 25 C H3' 1 25 C H6 2.900 . 4.000 3.307 3.045 3.642 . 0 0 "[ . 1 . 2]" 1
326 1 25 C H4' 1 25 C H6 3.400 . 5.000 4.110 3.936 4.308 . 0 0 "[ . 1 . 2]" 1
327 1 25 C Q5' 1 25 C H6 3.900 . 5.000 2.844 2.279 3.498 . 0 0 "[ . 1 . 2]" 1
328 1 24 U H2' 1 25 C H5 3.650 . 6.000 4.424 4.097 4.816 . 0 0 "[ . 1 . 2]" 1
329 1 24 U H3' 1 25 C H5 3.650 . 6.000 3.326 2.838 3.833 . 0 0 "[ . 1 . 2]" 1
330 1 24 U H6 1 25 C H5 3.650 . 6.000 4.098 3.549 4.624 . 0 0 "[ . 1 . 2]" 1
331 1 24 U H5 1 25 C H5 3.650 . 6.000 3.932 3.478 4.631 . 0 0 "[ . 1 . 2]" 1
332 1 26 U H1' 1 26 U H2' 2.400 . 3.000 2.796 2.742 2.844 . 0 0 "[ . 1 . 2]" 1
333 1 25 C H2' 1 26 U H3' 3.400 . 5.000 4.638 4.291 5.011 0.011 17 0 "[ . 1 . 2]" 1
334 1 26 U H1' 1 26 U H3' 3.400 . 5.000 3.846 3.790 3.903 . 0 0 "[ . 1 . 2]" 1
335 1 26 U H2' 1 26 U H3' 2.400 . 3.000 2.398 2.381 2.408 . 0 0 "[ . 1 . 2]" 1
336 1 26 U H1' 1 26 U H4' 2.900 . 4.000 3.432 3.265 3.663 . 0 0 "[ . 1 . 2]" 1
337 1 26 U H3' 1 26 U H4' 2.400 . 3.000 3.003 2.988 3.011 0.011 9 0 "[ . 1 . 2]" 1
338 1 25 C H2' 1 26 U Q5' 3.900 . 5.000 3.370 2.678 4.144 . 0 0 "[ . 1 . 2]" 1
339 1 26 U H3' 1 26 U Q5' 3.400 . 5.000 2.566 2.191 2.868 . 0 0 "[ . 1 . 2]" 1
340 1 25 C H1' 1 26 U H6 3.400 . 5.000 4.659 4.428 5.012 0.012 13 0 "[ . 1 . 2]" 1
341 1 25 C H2' 1 26 U H6 2.900 . 4.000 2.019 1.886 2.490 . 0 0 "[ . 1 . 2]" 1
342 1 26 U H1' 1 26 U H6 3.400 . 5.000 3.472 3.371 3.583 . 0 0 "[ . 1 . 2]" 1
343 1 26 U H2' 1 26 U H6 2.900 . 5.000 4.079 3.736 4.325 . 0 0 "[ . 1 . 2]" 1
344 1 26 U H3' 1 26 U H6 2.900 . 4.000 3.164 2.852 3.440 . 0 0 "[ . 1 . 2]" 1
345 1 25 C H2' 1 26 U H5 3.650 . 6.000 3.634 3.200 4.095 . 0 0 "[ . 1 . 2]" 1
346 1 25 C H3' 1 26 U H5 3.650 . 5.000 3.217 2.410 4.172 . 0 0 "[ . 1 . 2]" 1
347 1 25 C H5 1 26 U H5 3.650 . 6.000 4.123 3.745 4.563 . 0 0 "[ . 1 . 2]" 1
348 1 26 U H3' 1 26 U H5 3.650 . 6.000 4.896 4.680 5.080 . 0 0 "[ . 1 . 2]" 1
349 1 26 U H2' 1 27 G H1' 3.400 . 5.000 3.947 3.334 4.472 . 0 0 "[ . 1 . 2]" 1
350 1 27 G H1' 1 27 G H2' 2.400 . 3.000 2.799 2.757 2.843 . 0 0 "[ . 1 . 2]" 1
351 1 27 G H1' 1 27 G H3' 2.900 . 4.000 3.866 3.827 3.907 . 0 0 "[ . 1 . 2]" 1
352 1 27 G H2' 1 27 G H3' 2.400 . 3.000 2.399 2.383 2.412 . 0 0 "[ . 1 . 2]" 1
353 1 27 G H1' 1 27 G H4' 2.900 . 4.000 3.426 3.297 3.576 . 0 0 "[ . 1 . 2]" 1
354 1 27 G H2' 1 27 G H4' 2.900 . 4.000 3.823 3.766 3.848 . 0 0 "[ . 1 . 2]" 1
355 1 27 G H3' 1 27 G H4' 2.400 . 3.000 3.003 2.996 3.014 0.014 9 0 "[ . 1 . 2]" 1
356 1 27 G H3' 1 27 G Q5' 3.900 . 5.000 2.531 2.213 2.914 . 0 0 "[ . 1 . 2]" 1
357 1 27 G H4' 1 27 G Q5' 2.900 . 3.000 2.236 2.146 2.375 . 0 0 "[ . 1 . 2]" 1
358 1 27 G H2' 1 28 G H1' 2.900 . 4.000 3.991 3.636 4.575 0.575 15 1 "[ . 1 + 2]" 1
359 1 28 G H1' 1 28 G H2' 2.400 . 3.000 2.808 2.747 2.863 . 0 0 "[ . 1 . 2]" 1
360 1 28 G H1' 1 28 G H3' 2.900 . 4.000 3.864 3.773 3.902 . 0 0 "[ . 1 . 2]" 1
361 1 28 G H1' 1 28 G H4' 3.400 . 5.000 3.388 3.193 3.596 . 0 0 "[ . 1 . 2]" 1
362 1 28 G H3' 1 28 G H4' 2.400 . 3.000 3.005 2.996 3.013 0.013 14 0 "[ . 1 . 2]" 1
363 1 27 G H2' 1 28 G Q5' 3.900 . 5.000 2.938 2.555 3.470 . 0 0 "[ . 1 . 2]" 1
364 1 27 G H3' 1 28 G Q5' 3.900 . 5.000 3.899 3.643 4.225 . 0 0 "[ . 1 . 2]" 1
365 1 28 G H1' 1 28 G Q5' 3.900 . 5.000 4.295 4.232 4.358 . 0 0 "[ . 1 . 2]" 1
366 1 28 G H3' 1 28 G Q5' 3.400 . 4.000 2.667 2.276 2.961 . 0 0 "[ . 1 . 2]" 1
367 1 28 G H4' 1 28 G Q5' 2.900 . 3.000 2.205 2.152 2.349 . 0 0 "[ . 1 . 2]" 1
368 1 27 G H1' 1 28 G H8 3.400 . 5.000 4.625 4.396 4.973 . 0 0 "[ . 1 . 2]" 1
369 1 27 G H2' 1 28 G H8 2.400 . 3.000 2.133 1.931 2.516 . 0 0 "[ . 1 . 2]" 1
370 1 27 G H3' 1 28 G H8 2.900 . 4.000 3.121 2.631 3.635 . 0 0 "[ . 1 . 2]" 1
371 1 28 G H1' 1 28 G H8 2.900 . 4.000 3.663 3.544 3.777 . 0 0 "[ . 1 . 2]" 1
372 1 28 G H2' 1 28 G H8 3.400 . 5.000 4.081 3.739 4.381 . 0 0 "[ . 1 . 2]" 1
373 1 28 G H3' 1 28 G H8 2.900 . 4.000 3.216 2.858 3.496 . 0 0 "[ . 1 . 2]" 1
374 1 28 G H4' 1 28 G H8 3.400 . 5.000 4.353 4.253 4.473 . 0 0 "[ . 1 . 2]" 1
375 1 28 G Q5' 1 28 G H8 3.900 . 5.000 3.214 2.361 3.803 . 0 0 "[ . 1 . 2]" 1
376 1 1 G H1 1 28 G H1 2.900 . 4.000 10.348 9.343 12.269 8.269 4 20 [***+********-*******] 1
377 1 3 C H42 1 28 G H1 3.900 . 6.000 5.231 4.475 5.531 . 0 0 "[ . 1 . 2]" 1
378 1 3 C H5 1 28 G H1 3.900 . 6.000 6.940 6.259 7.363 1.363 13 19 "[ *******-***+*******]" 1
379 1 28 G H2' 1 29 C H1' 3.400 . 5.000 3.839 2.684 4.022 . 0 0 "[ . 1 . 2]" 1
380 1 29 C H1' 1 29 C H2' 2.400 . 3.000 2.805 2.758 2.869 . 0 0 "[ . 1 . 2]" 1
381 1 29 C H1' 1 29 C H3' 2.900 . 4.000 3.871 3.833 3.901 . 0 0 "[ . 1 . 2]" 1
382 1 29 C H2' 1 29 C H3' 2.400 . 3.000 2.397 2.383 2.410 . 0 0 "[ . 1 . 2]" 1
383 1 29 C H1' 1 29 C H4' 2.900 . 4.000 3.416 3.164 3.579 . 0 0 "[ . 1 . 2]" 1
384 1 29 C H2' 1 29 C H4' 2.900 . 4.000 3.827 3.787 3.846 . 0 0 "[ . 1 . 2]" 1
385 1 29 C H3' 1 29 C H4' 2.400 . 3.000 3.002 2.996 3.011 0.011 14 0 "[ . 1 . 2]" 1
386 1 29 C H3' 1 29 C Q5' 3.900 . 5.000 2.517 2.220 2.843 . 0 0 "[ . 1 . 2]" 1
387 1 29 C H4' 1 29 C Q5' 3.400 . 4.000 2.259 2.158 2.463 . 0 0 "[ . 1 . 2]" 1
388 1 29 C H2' 1 30 C H1' 3.400 . 5.000 4.119 3.352 4.692 . 0 0 "[ . 1 . 2]" 1
389 1 30 C H1' 1 30 C H2' 2.400 . 3.000 2.802 2.768 2.845 . 0 0 "[ . 1 . 2]" 1
390 1 29 C H2' 1 30 C H3' 3.400 . 5.000 4.762 4.371 5.218 0.218 19 0 "[ . 1 . 2]" 1
391 1 30 C H1' 1 30 C H3' 2.900 . 4.000 3.869 3.843 3.900 . 0 0 "[ . 1 . 2]" 1
392 1 30 C H2' 1 30 C H3' 2.400 . 3.000 2.397 2.388 2.405 . 0 0 "[ . 1 . 2]" 1
393 1 29 C H2' 1 30 C H4' 3.400 . 5.000 4.307 3.893 4.821 . 0 0 "[ . 1 . 2]" 1
394 1 30 C H1' 1 30 C H4' 2.900 . 4.000 3.429 3.255 3.559 . 0 0 "[ . 1 . 2]" 1
395 1 30 C H2' 1 30 C H4' 2.900 . 4.000 3.826 3.795 3.852 . 0 0 "[ . 1 . 2]" 1
396 1 30 C H3' 1 30 C H4' 2.400 . 3.000 3.001 2.994 3.009 0.009 6 0 "[ . 1 . 2]" 1
397 1 29 C H2' 1 30 C Q5' 3.900 . 5.000 3.094 2.383 4.117 . 0 0 "[ . 1 . 2]" 1
398 1 29 C H3' 1 30 C Q5' 3.900 . 5.000 3.789 2.141 4.542 . 0 0 "[ . 1 . 2]" 1
399 1 30 C H3' 1 30 C Q5' 3.900 . 5.000 2.571 2.205 2.975 . 0 0 "[ . 1 . 2]" 1
400 1 30 C H4' 1 30 C Q5' 3.400 . 4.000 2.231 2.148 2.514 . 0 0 "[ . 1 . 2]" 1
401 1 29 C H2' 1 30 C H6 2.400 . 3.000 2.331 2.045 2.669 . 0 0 "[ . 1 . 2]" 1
402 1 29 C H3' 1 30 C H6 2.900 . 4.000 3.317 2.745 3.923 . 0 0 "[ . 1 . 2]" 1
403 1 30 C H1' 1 30 C H6 3.400 . 5.000 3.517 3.426 3.613 . 0 0 "[ . 1 . 2]" 1
404 1 30 C H2' 1 30 C H6 3.400 . 5.000 3.971 3.648 4.218 . 0 0 "[ . 1 . 2]" 1
405 1 30 C H3' 1 30 C H6 2.900 . 4.000 3.029 2.700 3.257 . 0 0 "[ . 1 . 2]" 1
406 1 30 C H4' 1 30 C H6 2.900 . 4.000 4.046 3.980 4.136 0.136 6 0 "[ . 1 . 2]" 1
407 1 30 C Q5' 1 30 C H6 3.900 . 5.000 2.767 2.103 3.447 . 0 0 "[ . 1 . 2]" 1
408 1 1 G H1 1 30 C H5 3.900 . 6.000 7.130 5.508 7.980 1.980 4 18 "[***+-******* ***** *]" 1
409 1 29 C H2' 1 30 C H5 3.650 . 6.000 3.929 3.382 4.632 . 0 0 "[ . 1 . 2]" 1
410 1 29 C H3' 1 30 C H5 3.650 . 6.000 3.940 3.096 4.781 . 0 0 "[ . 1 . 2]" 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 6
_Distance_constraint_stats_list.Viol_count 110
_Distance_constraint_stats_list.Viol_total 5367.198
_Distance_constraint_stats_list.Viol_max 4.748
_Distance_constraint_stats_list.Viol_rms 1.1769
_Distance_constraint_stats_list.Viol_average_all_restraints 2.2363
_Distance_constraint_stats_list.Viol_average_violations_only 2.4396
_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 G 268.360 4.748 8 20 [*******+***-********]
2 1 ARG 268.360 4.748 8 20 [*******+***-********]
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 6 G H8 2 1 ARG QG 3.400 . 5.000 8.098 7.033 8.878 3.878 11 20 [*****-****+*********] 2
2 1 6 G H8 2 1 ARG QD 3.400 . 5.000 7.544 6.316 8.906 3.906 19 20 [****************-*+*] 2
3 1 6 G H2' 2 1 ARG HE 3.900 . 6.000 6.277 4.650 8.030 2.030 8 11 "[ * ** *+ **- *. * *]" 2
4 1 6 G H3' 2 1 ARG HE 3.900 . 5.000 6.846 4.748 8.947 3.947 14 15 "[ **** ** *** +*-** *]" 2
5 1 6 G H8 2 1 ARG HE 3.900 . 6.000 8.424 6.625 10.748 4.748 8 20 [*****-*+************] 2
6 1 6 G H8 2 1 ARG QH 2.500 . 5.000 7.804 6.876 8.353 3.353 2 20 [*+****************-*] 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 12
_Distance_constraint_stats_list.Viol_count 240
_Distance_constraint_stats_list.Viol_total 37377.363
_Distance_constraint_stats_list.Viol_max 16.080
_Distance_constraint_stats_list.Viol_rms 2.7617
_Distance_constraint_stats_list.Viol_average_all_restraints 7.7870
_Distance_constraint_stats_list.Viol_average_violations_only 7.7870
_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 269.718 8.320 4 20 [***+********-*******]
1 2 G 271.666 7.780 7 20 [-*****+*************]
1 3 C 172.944 9.877 18 20 [***************-*+**]
1 4 C 176.660 10.076 19 20 [***************-**+*]
1 5 A 115.561 6.598 2 20 [*+**********-*******]
1 6 G 114.866 6.417 1 20 [+***********-*******]
1 10 G 289.209 15.553 19 20 [-*****************+*]
1 11 A 117.244 7.334 20 20 [*****-*************+]
1 12 G 134.580 8.038 20 20 [*****-*************+]
1 13 C 206.421 16.080 17 20 [**************-*+***]
1 20 G 206.421 16.080 17 20 [**************-*+***]
1 21 C 134.580 8.038 20 20 [*****-*************+]
1 22 U 117.244 7.334 20 20 [*****-*************+]
1 23 C 289.209 15.553 19 20 [-*****************+*]
1 24 U 114.866 6.417 1 20 [+***********-*******]
1 25 C 115.561 6.598 2 20 [*+**********-*******]
1 26 U 176.660 10.076 19 20 [***************-**+*]
1 27 G 172.944 9.877 18 20 [***************-*+**]
1 28 G 271.666 7.780 7 20 [-*****+*************]
1 29 C 269.718 8.320 4 20 [***+********-*******]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G H1 1 29 C N3 1.950 . 2.150 9.020 7.549 10.470 8.320 4 20 [***+********-*******] 3
2 1 1 G N1 1 29 C N3 2.950 2.750 3.150 9.766 8.343 10.920 7.770 4 20 [***+********-*******] 3
3 1 2 G N3 1 28 G H1 1.950 . 2.150 9.053 8.119 9.930 7.780 7 20 [-*****+*************] 3
4 1 2 G N3 1 28 G N1 2.950 2.750 3.150 9.830 8.897 10.696 7.546 7 20 [-*****+*************] 3
5 1 3 C N3 1 27 G N1 2.950 2.750 3.150 11.797 10.667 13.027 9.877 18 20 [***************-*+**] 3
6 1 4 C N1 1 26 U N3 2.700 2.500 2.900 11.733 10.859 12.976 10.076 19 20 [***************-**+*] 3
7 1 5 A N1 1 25 C N3 2.950 2.750 3.150 8.928 7.987 9.748 6.598 2 20 [*+**********-*******] 3
8 1 6 G N1 1 24 U N3 2.700 2.500 2.900 8.643 7.895 9.317 6.417 1 20 [+***********-*******] 3
9 1 10 G N1 1 23 C N3 2.950 2.750 3.150 17.610 15.350 18.703 15.553 19 20 [-*****************+*] 3
10 1 11 A N1 1 22 U N3 2.700 2.500 2.900 8.762 7.985 10.234 7.334 20 20 [*****-*************+] 3
11 1 12 G N1 1 21 C N3 2.950 2.750 3.150 9.879 9.001 11.188 8.038 20 20 [*****-*************+] 3
12 1 13 C N3 1 20 G N1 2.950 2.750 3.150 13.471 7.035 19.230 16.080 17 20 [**************-*+***] 3
stop_
save_
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