NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
606280 |
2nc0   |
25999 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2nc0
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 225
_Distance_constraint_stats_list.Viol_count 783
_Distance_constraint_stats_list.Viol_total 6888.589
_Distance_constraint_stats_list.Viol_max 2.162
_Distance_constraint_stats_list.Viol_rms 0.5696
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3062
_Distance_constraint_stats_list.Viol_average_violations_only 0.8798
_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 29.722 2.058 1 10 [+-********]
1 2 G 50.084 2.066 4 10 [***+**-***]
1 3 G 49.185 2.066 4 10 [***+*-****]
1 4 C 43.518 2.138 5 10 [****+*****]
1 5 U 34.626 2.138 5 10 [**-*+*****]
1 6 G 37.746 1.963 10 10 [**-******+]
1 7 A 33.823 1.963 10 10 [****-****+]
1 8 A 29.770 1.873 8 10 [*******+-*]
1 9 G 49.636 2.152 3 10 [**+******-]
1 10 G 51.855 2.162 9 10 [******-*+*]
1 11 A 46.536 2.162 9 10 [********+*]
1 12 U 38.000 1.992 2 10 [-+********]
1 13 G 43.499 1.936 1 10 [+*********]
1 14 G 41.737 1.936 1 10 [+*****-***]
1 15 A 15.595 1.539 7 8 [****.*+**1]
1 16 G 23.773 0.892 5 10 [*-**+*****]
1 17 A 27.833 1.266 3 10 [*-+*******]
1 18 C 32.239 2.007 2 10 [*+********]
1 19 G 42.749 2.007 2 10 [*+***-****]
1 20 U 39.319 1.852 7 10 [*****-+***]
1 21 C 42.952 1.962 2 10 [*+*******-]
1 22 U 28.597 1.962 2 10 [*+********]
1 23 A 19.717 1.193 2 10 [*+******-*]
1 24 G 34.438 2.054 5 10 [****+***-*]
1 25 G 47.032 2.054 5 10 [***-+*****]
1 26 C 43.274 1.930 2 10 [*+********]
1 27 C 42.533 1.965 9 10 [***-****+*]
1 28 C 26.783 1.965 9 10 [*-******+*]
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 H8 1 1 G HO2' 3.000 . 4.000 5.097 5.012 5.416 1.416 5 10 [*-**+*****] 1
2 1 1 G H3' 1 1 G H8 2.000 . 3.000 3.003 2.996 3.011 0.011 2 0 "[ . 1]" 1
3 1 1 G H3' 1 1 G H5'' 2.300 . 3.300 3.004 2.993 3.013 . 0 0 "[ . 1]" 1
4 1 1 G H4' 1 1 G H5' 1.700 . 2.700 2.472 2.468 2.474 . 0 0 "[ . 1]" 1
5 1 1 G H4' 1 1 G H5'' 1.700 . 2.700 2.362 2.354 2.367 . 0 0 "[ . 1]" 1
6 1 1 G H8 1 2 G H8 4.000 . 5.000 4.700 4.643 4.750 . 0 0 "[ . 1]" 1
7 1 1 G HO2' 1 2 G H8 1.700 . 2.700 4.571 4.004 4.758 2.058 1 10 [+***-*****] 1
8 1 1 G H3' 1 2 G H8 2.300 . 3.300 3.076 3.029 3.146 . 0 0 "[ . 1]" 1
9 1 2 G H8 1 2 G HO2' 3.000 . 4.000 5.080 5.034 5.135 1.135 5 10 [****+*-***] 1
10 1 2 G H3' 1 2 G H8 2.000 . 3.000 3.077 3.061 3.106 0.106 3 0 "[ . 1]" 1
11 1 2 G H3' 1 2 G H5'' 2.300 . 3.300 3.043 3.030 3.051 . 0 0 "[ . 1]" 1
12 1 2 G H4' 1 2 G H5' 1.700 . 2.700 2.482 2.476 2.486 . 0 0 "[ . 1]" 1
13 1 2 G H4' 1 2 G H5'' 1.700 . 2.700 2.372 2.368 2.379 . 0 0 "[ . 1]" 1
14 1 2 G H8 1 3 G H8 4.000 . 5.000 4.683 4.645 4.714 . 0 0 "[ . 1]" 1
15 1 2 G HO2' 1 3 G H8 1.700 . 2.700 4.680 4.481 4.766 2.066 4 10 [**-+******] 1
16 1 2 G H3' 1 3 G H8 2.300 . 3.300 3.166 3.135 3.185 . 0 0 "[ . 1]" 1
17 1 3 G H8 1 3 G HO2' 3.000 . 4.000 5.173 5.041 5.489 1.489 6 10 [*****+**-*] 1
18 1 3 G H3' 1 3 G H8 2.000 . 3.000 3.113 3.100 3.131 0.131 5 0 "[ . 1]" 1
19 1 3 G H3' 1 3 G H5'' 2.300 . 3.300 3.048 3.036 3.058 . 0 0 "[ . 1]" 1
20 1 3 G H4' 1 3 G H5' 1.700 . 2.700 2.474 2.468 2.480 . 0 0 "[ . 1]" 1
21 1 3 G H4' 1 3 G H5'' 1.700 . 2.700 2.373 2.368 2.377 . 0 0 "[ . 1]" 1
22 1 3 G H8 1 4 C H6 4.000 . 5.000 4.998 4.957 5.034 0.034 9 0 "[ . 1]" 1
23 1 3 G HO2' 1 4 C H6 1.700 . 2.700 4.344 3.588 4.542 1.842 5 10 [****+-****] 1
24 1 3 G H3' 1 4 C H6 2.300 . 3.300 3.229 3.210 3.246 . 0 0 "[ . 1]" 1
25 1 4 C H6 1 4 C HO2' 3.000 . 4.000 5.041 4.815 5.262 1.262 3 10 [**+*-*****] 1
26 1 4 C H3' 1 4 C H6 2.000 . 3.000 2.795 2.766 2.816 . 0 0 "[ . 1]" 1
27 1 4 C H3' 1 4 C H5'' 2.300 . 3.300 3.029 3.024 3.033 . 0 0 "[ . 1]" 1
28 1 4 C H4' 1 4 C H5' 1.700 . 2.700 2.473 2.469 2.476 . 0 0 "[ . 1]" 1
29 1 4 C H4' 1 4 C H5'' 1.700 . 2.700 2.380 2.376 2.383 . 0 0 "[ . 1]" 1
30 1 4 C H6 1 5 U H5 4.000 . 5.000 4.078 3.998 4.208 . 0 0 "[ . 1]" 1
31 1 4 C H6 1 5 U H6 4.000 . 5.000 4.631 4.589 4.668 . 0 0 "[ . 1]" 1
32 1 4 C HO2' 1 5 U H6 1.700 . 2.700 4.358 3.928 4.838 2.138 5 10 [**-*+*****] 1
33 1 4 C H3' 1 5 U H6 2.300 . 3.300 3.219 3.185 3.239 . 0 0 "[ . 1]" 1
34 1 5 U H6 1 5 U HO2' 3.000 . 4.000 5.042 4.825 5.353 1.353 8 10 [-******+**] 1
35 1 5 U H3' 1 5 U H6 2.000 . 3.000 2.818 2.775 2.837 . 0 0 "[ . 1]" 1
36 1 5 U H3' 1 5 U H5'' 2.300 . 3.300 3.064 3.055 3.072 . 0 0 "[ . 1]" 1
37 1 5 U H4' 1 5 U H5' 1.700 . 2.700 2.482 2.479 2.486 . 0 0 "[ . 1]" 1
38 1 5 U H4' 1 5 U H5'' 1.700 . 2.700 2.370 2.364 2.378 . 0 0 "[ . 1]" 1
39 1 5 U H6 1 6 G H8 4.000 . 5.000 4.664 4.596 4.819 . 0 0 "[ . 1]" 1
40 1 5 U HO2' 1 6 G H8 2.300 . 3.300 4.063 3.441 4.591 1.291 1 7 "[+ - *** **]" 1
41 1 5 U H3' 1 6 G H8 4.000 . 5.000 3.344 3.325 3.405 . 0 0 "[ . 1]" 1
42 1 6 G H8 1 6 G HO2' 3.000 . 4.000 5.191 5.056 5.413 1.413 6 10 [-****+****] 1
43 1 6 G H3' 1 6 G H8 2.000 . 3.000 3.025 3.002 3.061 0.061 4 0 "[ . 1]" 1
44 1 6 G H3' 1 6 G H5'' 2.300 . 3.300 3.068 3.056 3.084 . 0 0 "[ . 1]" 1
45 1 6 G H4' 1 6 G H5' 1.700 . 2.700 2.486 2.480 2.491 . 0 0 "[ . 1]" 1
46 1 6 G H4' 1 6 G H5'' 1.700 . 2.700 2.359 2.352 2.366 . 0 0 "[ . 1]" 1
47 1 6 G H8 1 7 A H8 4.000 . 5.000 5.072 4.991 5.116 0.116 9 0 "[ . 1]" 1
48 1 6 G HO2' 1 7 A H8 1.700 . 2.700 4.285 3.564 4.663 1.963 10 10 [****-****+] 1
49 1 6 G H3' 1 7 A H8 2.300 . 3.300 3.313 3.217 3.353 0.053 5 0 "[ . 1]" 1
50 1 7 A H8 1 7 A HO2' 3.000 . 4.000 5.429 5.124 5.626 1.626 6 10 [***-*+****] 1
51 1 7 A H3' 1 7 A H8 2.000 . 3.000 3.268 3.224 3.327 0.327 8 0 "[ . 1]" 1
52 1 7 A H2 1 23 A H8 4.500 3.500 5.500 4.285 3.914 4.918 . 0 0 "[ . 1]" 1
53 1 8 A H8 1 8 A HO2' 3.000 . 4.000 5.261 5.117 5.469 1.469 1 10 [+*******-*] 1
54 1 8 A H3' 1 8 A H8 2.000 . 3.000 3.028 2.783 3.086 0.086 2 0 "[ . 1]" 1
55 1 8 A H2 1 25 G H1' 4.000 2.500 5.500 3.122 2.994 3.194 . 0 0 "[ . 1]" 1
56 1 8 A H2 1 25 G HO2' 4.000 2.500 5.500 4.308 3.705 5.478 . 0 0 "[ . 1]" 1
57 1 8 A H2 1 24 G HO2' 5.000 3.500 6.500 5.472 4.320 6.685 0.185 9 0 "[ . 1]" 1
58 1 8 A H2 1 9 G H1' 4.000 3.000 5.000 3.670 3.187 3.986 . 0 0 "[ . 1]" 1
59 1 8 A H8 1 9 G H8 4.000 . 5.000 3.413 3.326 3.594 . 0 0 "[ . 1]" 1
60 1 8 A HO2' 1 9 G H8 1.700 . 2.700 4.344 4.075 4.573 1.873 8 10 [**-****+**] 1
61 1 8 A H3' 1 9 G H8 2.300 . 3.300 2.014 1.770 2.112 0.030 5 0 "[ . 1]" 1
62 1 9 G H8 1 9 G HO2' 3.000 . 4.000 5.193 5.000 5.588 1.588 2 10 [*+*******-] 1
63 1 9 G H3' 1 9 G H8 2.000 . 3.000 3.156 3.087 3.184 0.184 2 0 "[ . 1]" 1
64 1 9 G H3' 1 9 G H5'' 2.300 . 3.300 3.014 2.999 3.023 . 0 0 "[ . 1]" 1
65 1 9 G H4' 1 9 G H5' 1.700 . 2.700 2.491 2.484 2.497 . 0 0 "[ . 1]" 1
66 1 9 G H4' 1 9 G H5'' 1.700 . 2.700 2.358 2.350 2.364 . 0 0 "[ . 1]" 1
67 1 9 G H8 1 10 G H8 4.000 . 5.000 4.585 4.509 4.643 . 0 0 "[ . 1]" 1
68 1 9 G HO2' 1 10 G H8 1.700 . 2.700 4.667 4.154 4.852 2.152 3 10 [*-+*******] 1
69 1 9 G H3' 1 10 G H8 2.300 . 3.300 2.846 2.798 2.954 . 0 0 "[ . 1]" 1
70 1 10 G H8 1 10 G HO2' 3.000 . 4.000 5.319 5.038 5.575 1.575 1 10 [+*****-***] 1
71 1 10 G H3' 1 10 G H8 2.000 . 3.000 3.102 3.060 3.160 0.160 4 0 "[ . 1]" 1
72 1 10 G H3' 1 10 G H5'' 2.300 . 3.300 3.049 3.036 3.061 . 0 0 "[ . 1]" 1
73 1 10 G H4' 1 10 G H5' 1.700 . 2.700 2.492 2.489 2.497 . 0 0 "[ . 1]" 1
74 1 10 G H4' 1 10 G H5'' 1.700 . 2.700 2.358 2.354 2.363 . 0 0 "[ . 1]" 1
75 1 10 G H8 1 11 A H8 4.000 . 5.000 4.723 4.660 4.810 . 0 0 "[ . 1]" 1
76 1 10 G HO2' 1 11 A H8 1.700 . 2.700 4.496 3.960 4.862 2.162 9 10 [-*******+*] 1
77 1 10 G H3' 1 11 A H8 2.300 . 3.300 3.166 3.098 3.250 . 0 0 "[ . 1]" 1
78 1 11 A H8 1 11 A HO2' 3.000 . 4.000 5.429 5.076 5.611 1.611 9 10 [*-******+*] 1
79 1 11 A H3' 1 11 A H8 2.000 . 3.000 3.044 3.025 3.070 0.070 10 0 "[ . 1]" 1
80 1 11 A H3' 1 11 A H5'' 2.300 . 3.300 3.051 3.040 3.062 . 0 0 "[ . 1]" 1
81 1 11 A H4' 1 11 A H5' 1.700 . 2.700 2.487 2.483 2.490 . 0 0 "[ . 1]" 1
82 1 11 A H4' 1 11 A H5'' 1.700 . 2.700 2.368 2.363 2.371 . 0 0 "[ . 1]" 1
83 1 11 A H2 1 12 U H1' 4.000 . 5.000 3.664 3.557 3.829 . 0 0 "[ . 1]" 1
84 1 11 A H2 1 21 C H1' 4.000 . 5.000 3.378 3.241 3.494 . 0 0 "[ . 1]" 1
85 1 11 A H8 1 12 U H6 4.000 . 5.000 4.596 4.545 4.719 . 0 0 "[ . 1]" 1
86 1 11 A HO2' 1 12 U H6 1.700 . 2.700 4.084 3.606 4.692 1.992 2 10 [*+******-*] 1
87 1 11 A H3' 1 12 U H6 2.300 . 3.300 3.093 3.072 3.114 . 0 0 "[ . 1]" 1
88 1 12 U H6 1 12 U HO2' 3.000 . 4.000 5.160 4.828 5.437 1.437 1 10 [+*****-***] 1
89 1 12 U H3' 1 12 U H6 2.000 . 3.000 2.807 2.761 2.863 . 0 0 "[ . 1]" 1
90 1 12 U H3' 1 12 U H5'' 2.300 . 3.300 3.049 3.035 3.061 . 0 0 "[ . 1]" 1
91 1 12 U H4' 1 12 U H5' 1.700 . 2.700 2.491 2.485 2.494 . 0 0 "[ . 1]" 1
92 1 12 U H4' 1 12 U H5'' 1.700 . 2.700 2.367 2.362 2.373 . 0 0 "[ . 1]" 1
93 1 12 U H6 1 13 G H8 4.000 . 5.000 4.417 4.370 4.473 . 0 0 "[ . 1]" 1
94 1 12 U HO2' 1 13 G H8 1.700 . 2.700 3.956 3.374 4.496 1.796 8 10 [-******+**] 1
95 1 12 U H3' 1 13 G H8 2.300 . 3.300 3.263 3.240 3.293 . 0 0 "[ . 1]" 1
96 1 13 G H8 1 13 G HO2' 3.000 . 4.000 5.252 5.081 5.524 1.524 7 10 [**-***+***] 1
97 1 13 G H3' 1 13 G H8 2.000 . 3.000 3.113 3.100 3.142 0.142 2 0 "[ . 1]" 1
98 1 13 G H3' 1 13 G H5'' 2.300 . 3.300 3.068 3.056 3.079 . 0 0 "[ . 1]" 1
99 1 13 G H4' 1 13 G H5' 1.700 . 2.700 2.493 2.488 2.497 . 0 0 "[ . 1]" 1
100 1 13 G H4' 1 13 G H5'' 1.700 . 2.700 2.366 2.361 2.375 . 0 0 "[ . 1]" 1
101 1 13 G H8 1 14 G H8 5.000 4.000 6.000 3.810 3.761 3.846 0.239 7 0 "[ . 1]" 1
102 1 13 G HO2' 1 14 G H8 1.700 . 2.700 4.239 3.770 4.636 1.936 1 10 [+*****-***] 1
103 1 13 G H3' 1 14 G H8 2.300 . 3.300 2.628 2.517 2.714 . 0 0 "[ . 1]" 1
104 1 14 G H8 1 14 G HO2' 3.000 . 4.000 5.542 5.468 5.620 1.620 1 10 [+-********] 1
105 1 14 G H3' 1 14 G H8 2.000 . 3.000 3.024 2.971 3.079 0.079 3 0 "[ . 1]" 1
106 1 14 G H3' 1 14 G H5'' 2.300 . 3.300 3.049 3.039 3.064 . 0 0 "[ . 1]" 1
107 1 14 G H4' 1 14 G H5' 1.700 . 2.700 2.488 2.482 2.498 . 0 0 "[ . 1]" 1
108 1 14 G H4' 1 14 G H5'' 1.700 . 2.700 2.363 2.355 2.368 . 0 0 "[ . 1]" 1
109 1 14 G HO2' 1 15 A Q5' 1.700 . 2.700 3.346 2.073 4.239 1.539 7 6 "[-***. +* 1]" 1
110 1 14 G H3' 1 15 A Q5' 2.300 . 3.300 2.879 2.355 3.271 . 0 0 "[ . 1]" 1
111 1 14 G HO2' 1 15 A H3' 4.000 . 5.000 2.769 2.563 3.283 . 0 0 "[ . 1]" 1
112 1 14 G H3' 1 15 A H3' 4.000 . 5.000 4.889 4.727 5.132 0.132 9 0 "[ . 1]" 1
113 1 14 G HO2' 1 16 G H8 4.000 . 5.000 3.031 2.762 3.533 . 0 0 "[ . 1]" 1
114 1 15 A H8 1 15 A HO2' 4.000 . 5.000 5.317 4.952 5.823 0.823 9 4 "[ * .*- +1]" 1
115 1 15 A H3' 1 15 A H8 4.000 . 5.000 3.145 2.830 3.557 . 0 0 "[ . 1]" 1
116 1 15 A H3' 1 15 A Q5' 2.300 . 3.300 2.647 2.295 2.878 . 0 0 "[ . 1]" 1
117 1 15 A H4' 1 15 A Q5' 1.700 . 2.700 2.209 2.154 2.308 . 0 0 "[ . 1]" 1
118 1 15 A H8 1 16 G H8 4.000 . 5.000 5.194 5.052 5.279 0.279 7 0 "[ . 1]" 1
119 1 15 A H3' 1 16 G H8 2.300 . 3.300 2.705 2.246 3.074 . 0 0 "[ . 1]" 1
120 1 15 A H2 1 16 G H1' 4.000 . 5.000 5.166 5.128 5.218 0.218 10 0 "[ . 1]" 1
121 1 16 G H8 1 16 G HO2' 3.000 . 4.000 4.723 4.440 4.892 0.892 5 8 "[* **+* *-*]" 1
122 1 16 G H3' 1 16 G H8 2.000 . 3.000 3.259 3.148 3.329 0.329 4 0 "[ . 1]" 1
123 1 16 G H3' 1 16 G H5'' 2.300 . 3.300 2.636 2.596 2.704 . 0 0 "[ . 1]" 1
124 1 16 G H4' 1 16 G H5' 1.700 . 2.700 2.514 2.492 2.551 . 0 0 "[ . 1]" 1
125 1 16 G H4' 1 16 G H5'' 1.700 . 2.700 2.323 2.293 2.337 . 0 0 "[ . 1]" 1
126 1 16 G H8 1 17 A H8 4.000 . 5.000 5.020 4.859 5.112 0.112 8 0 "[ . 1]" 1
127 1 16 G HO2' 1 17 A H8 2.300 . 3.300 3.458 2.725 3.839 0.539 7 3 "[ - . + *]" 1
128 1 16 G H3' 1 17 A H8 2.300 . 3.300 2.650 2.384 2.836 . 0 0 "[ . 1]" 1
129 1 16 G H1' 1 17 A H2 4.000 . 5.000 5.695 5.604 5.797 0.797 7 10 [*****-+***] 1
130 1 17 A H8 1 17 A HO2' 3.000 . 4.000 5.118 4.994 5.266 1.266 3 10 [*-+*******] 1
131 1 17 A H3' 1 17 A H8 2.000 . 3.000 2.465 2.429 2.525 . 0 0 "[ . 1]" 1
132 1 17 A H3' 1 17 A H5'' 2.300 . 3.300 2.892 2.855 2.931 . 0 0 "[ . 1]" 1
133 1 17 A H4' 1 17 A H5' 1.700 . 2.700 2.440 2.412 2.462 . 0 0 "[ . 1]" 1
134 1 17 A H4' 1 17 A H5'' 1.700 . 2.700 2.410 2.390 2.430 . 0 0 "[ . 1]" 1
135 1 17 A H8 1 18 C H6 5.000 4.000 6.000 3.989 3.920 4.098 0.080 3 0 "[ . 1]" 1
136 1 17 A H8 1 18 C H5 5.000 4.000 6.000 3.671 3.567 3.759 0.433 4 0 "[ . 1]" 1
137 1 17 A H2 1 18 C H1' 3.500 3.000 4.000 4.278 4.129 4.379 0.379 7 0 "[ . 1]" 1
138 1 18 C H6 1 18 C HO2' 3.000 . 4.000 5.103 4.803 5.332 1.332 5 10 [*-**+*****] 1
139 1 18 C H3' 1 18 C H6 2.000 . 3.000 2.445 2.420 2.490 . 0 0 "[ . 1]" 1
140 1 18 C H3' 1 18 C H5'' 2.300 . 3.300 2.990 2.963 3.005 . 0 0 "[ . 1]" 1
141 1 18 C H4' 1 18 C H5' 1.700 . 2.700 2.470 2.461 2.478 . 0 0 "[ . 1]" 1
142 1 18 C H4' 1 18 C H5'' 1.700 . 2.700 2.393 2.387 2.398 . 0 0 "[ . 1]" 1
143 1 18 C H6 1 19 G H8 4.000 . 5.000 4.550 4.431 4.645 . 0 0 "[ . 1]" 1
144 1 18 C HO2' 1 19 G H8 1.700 . 2.700 4.190 3.779 4.707 2.007 2 10 [*+**-*****] 1
145 1 18 C H3' 1 19 G H8 2.300 . 3.300 3.256 3.228 3.298 . 0 0 "[ . 1]" 1
146 1 19 G H8 1 19 G HO2' 3.000 . 4.000 5.310 5.091 5.634 1.634 6 10 [**-**+****] 1
147 1 19 G H3' 1 19 G H8 2.000 . 3.000 3.079 3.062 3.103 0.103 7 0 "[ . 1]" 1
148 1 19 G H3' 1 19 G H5'' 2.300 . 3.300 3.050 3.037 3.063 . 0 0 "[ . 1]" 1
149 1 19 G H4' 1 19 G H5' 1.700 . 2.700 2.489 2.485 2.492 . 0 0 "[ . 1]" 1
150 1 19 G H4' 1 19 G H5'' 1.700 . 2.700 2.360 2.354 2.364 . 0 0 "[ . 1]" 1
151 1 19 G H8 1 20 U H6 4.000 . 5.000 4.743 4.701 4.796 . 0 0 "[ . 1]" 1
152 1 19 G H8 1 20 U H5 4.000 . 5.000 3.759 3.710 3.813 . 0 0 "[ . 1]" 1
153 1 19 G HO2' 1 20 U H6 1.700 . 2.700 4.097 3.368 4.552 1.852 7 10 [*****-+***] 1
154 1 19 G H3' 1 20 U H6 2.300 . 3.300 3.061 3.027 3.107 . 0 0 "[ . 1]" 1
155 1 20 U H6 1 20 U HO2' 3.000 . 4.000 4.930 4.826 5.079 1.079 3 10 [**+******-] 1
156 1 20 U H3' 1 20 U H6 2.000 . 3.000 2.916 2.889 2.946 . 0 0 "[ . 1]" 1
157 1 20 U H3' 1 20 U H5'' 2.300 . 3.300 3.017 3.005 3.023 . 0 0 "[ . 1]" 1
158 1 20 U H4' 1 20 U H5' 1.700 . 2.700 2.476 2.469 2.483 . 0 0 "[ . 1]" 1
159 1 20 U H4' 1 20 U H5'' 1.700 . 2.700 2.372 2.364 2.381 . 0 0 "[ . 1]" 1
160 1 20 U H6 1 21 C H5 4.000 . 5.000 3.986 3.958 4.030 . 0 0 "[ . 1]" 1
161 1 20 U H6 1 21 C H6 4.000 . 5.000 4.781 4.728 4.830 . 0 0 "[ . 1]" 1
162 1 20 U HO2' 1 21 C H6 1.700 . 2.700 4.305 3.899 4.490 1.790 2 10 [*+-*******] 1
163 1 20 U H3' 1 21 C H6 2.300 . 3.300 3.119 3.090 3.202 . 0 0 "[ . 1]" 1
164 1 21 C H6 1 21 C HO2' 3.000 . 4.000 4.912 4.849 5.034 1.034 3 10 [**+******-] 1
165 1 21 C H3' 1 21 C H6 2.000 . 3.000 2.988 2.950 3.019 0.019 8 0 "[ . 1]" 1
166 1 21 C H3' 1 21 C H5'' 2.300 . 3.300 2.978 2.965 2.991 . 0 0 "[ . 1]" 1
167 1 21 C H4' 1 21 C H5' 1.700 . 2.700 2.470 2.467 2.477 . 0 0 "[ . 1]" 1
168 1 21 C H4' 1 21 C H5'' 1.700 . 2.700 2.381 2.369 2.386 . 0 0 "[ . 1]" 1
169 1 21 C H6 1 22 U H5 4.000 . 5.000 3.769 3.699 3.830 . 0 0 "[ . 1]" 1
170 1 21 C H6 1 22 U H6 4.000 . 5.000 4.525 4.469 4.566 . 0 0 "[ . 1]" 1
171 1 21 C HO2' 1 22 U H6 1.700 . 2.700 4.475 4.012 4.662 1.962 2 10 [*+-*******] 1
172 1 21 C H3' 1 22 U H6 2.300 . 3.300 3.045 2.964 3.119 . 0 0 "[ . 1]" 1
173 1 22 U H6 1 22 U HO2' 3.000 . 4.000 5.032 4.873 5.256 1.256 4 10 [*-*+******] 1
174 1 22 U H3' 1 22 U H6 2.000 . 3.000 3.050 3.008 3.096 0.096 3 0 "[ . 1]" 1
175 1 22 U H3' 1 22 U H5'' 2.300 . 3.300 2.983 2.968 2.996 . 0 0 "[ . 1]" 1
176 1 22 U H4' 1 22 U H5' 1.700 . 2.700 2.476 2.465 2.483 . 0 0 "[ . 1]" 1
177 1 22 U H4' 1 22 U H5'' 1.700 . 2.700 2.381 2.379 2.387 . 0 0 "[ . 1]" 1
178 1 22 U H6 1 23 A H8 4.000 . 5.000 4.673 4.569 4.796 . 0 0 "[ . 1]" 1
179 1 22 U H3' 1 23 A H8 2.300 . 3.300 3.180 3.030 3.328 0.028 9 0 "[ . 1]" 1
180 1 23 A H8 1 23 A HO2' 3.000 . 4.000 4.398 4.016 4.804 0.804 5 3 "[ + * -1]" 1
181 1 23 A H3' 1 23 A H8 2.000 . 3.000 4.124 4.036 4.193 1.193 2 10 [*+*******-] 1
182 1 6 G H1' 1 23 A H2 4.000 3.000 5.000 5.110 5.038 5.233 0.233 5 0 "[ . 1]" 1
183 1 23 A H4' 1 24 G H1' 3.300 2.300 4.300 4.434 4.199 4.564 0.264 3 0 "[ . 1]" 1
184 1 23 A H1' 1 24 G H8 3.300 2.800 4.300 3.292 3.156 3.457 . 0 0 "[ . 1]" 1
185 1 23 A HO2' 1 24 G H8 3.500 3.500 13.500 3.591 2.767 4.338 0.733 7 2 "[ . + -1]" 1
186 1 24 G H8 1 24 G HO2' 3.000 . 4.000 5.130 4.975 5.443 1.443 6 10 [****-+****] 1
187 1 24 G H3' 1 24 G H8 2.000 . 3.000 3.154 3.110 3.202 0.202 8 0 "[ . 1]" 1
188 1 24 G H3' 1 24 G H5'' 2.300 . 3.300 2.921 2.845 2.966 . 0 0 "[ . 1]" 1
189 1 24 G H4' 1 24 G H5' 1.700 . 2.700 2.448 2.426 2.463 . 0 0 "[ . 1]" 1
190 1 24 G H4' 1 24 G H5'' 1.700 . 2.700 2.403 2.392 2.438 . 0 0 "[ . 1]" 1
191 1 24 G H8 1 25 G H8 4.000 . 5.000 4.787 4.708 4.842 . 0 0 "[ . 1]" 1
192 1 24 G HO2' 1 25 G H8 1.700 . 2.700 4.504 4.135 4.754 2.054 5 10 [****+-****] 1
193 1 24 G H3' 1 25 G H8 2.300 . 3.300 2.864 2.822 2.895 . 0 0 "[ . 1]" 1
194 1 25 G H8 1 25 G HO2' 3.000 . 4.000 5.154 4.999 5.443 1.443 3 10 [**+-******] 1
195 1 25 G H3' 1 25 G H8 2.000 . 3.000 3.044 3.004 3.070 0.070 8 0 "[ . 1]" 1
196 1 25 G H3' 1 25 G H5'' 2.300 . 3.300 3.023 3.014 3.031 . 0 0 "[ . 1]" 1
197 1 25 G H4' 1 25 G H5' 1.700 . 2.700 2.486 2.484 2.488 . 0 0 "[ . 1]" 1
198 1 25 G H4' 1 25 G H5'' 1.700 . 2.700 2.363 2.359 2.369 . 0 0 "[ . 1]" 1
199 1 25 G H8 1 26 C H6 4.000 . 5.000 4.938 4.893 4.968 . 0 0 "[ . 1]" 1
200 1 25 G H8 1 26 C H5 4.000 . 5.000 4.070 4.030 4.094 . 0 0 "[ . 1]" 1
201 1 25 G HO2' 1 26 C H6 1.700 . 2.700 4.402 3.986 4.629 1.929 5 10 [**-*+*****] 1
202 1 25 G H3' 1 26 C H6 2.300 . 3.300 3.006 2.976 3.029 . 0 0 "[ . 1]" 1
203 1 26 C H6 1 26 C HO2' 3.000 . 4.000 4.934 4.787 5.384 1.384 10 10 [*-*******+] 1
204 1 26 C H3' 1 26 C H6 2.000 . 3.000 2.808 2.790 2.820 . 0 0 "[ . 1]" 1
205 1 26 C H3' 1 26 C H5'' 2.300 . 3.300 3.017 3.008 3.027 . 0 0 "[ . 1]" 1
206 1 26 C H4' 1 26 C H5' 1.700 . 2.700 2.474 2.471 2.477 . 0 0 "[ . 1]" 1
207 1 26 C H4' 1 26 C H5'' 1.700 . 2.700 2.375 2.370 2.382 . 0 0 "[ . 1]" 1
208 1 26 C H6 1 27 C H5 4.000 . 5.000 4.207 4.175 4.278 . 0 0 "[ . 1]" 1
209 1 26 C H6 1 27 C H6 4.000 . 5.000 4.927 4.885 4.968 . 0 0 "[ . 1]" 1
210 1 26 C HO2' 1 27 C H6 1.700 . 2.700 4.391 3.628 4.630 1.930 2 10 [*+*******-] 1
211 1 26 C H3' 1 27 C H6 2.300 . 3.300 3.218 3.191 3.275 . 0 0 "[ . 1]" 1
212 1 27 C H6 1 27 C HO2' 3.000 . 4.000 5.012 4.793 5.286 1.286 7 10 [***-**+***] 1
213 1 27 C H3' 1 27 C H6 2.000 . 3.000 2.780 2.752 2.815 . 0 0 "[ . 1]" 1
214 1 27 C H3' 1 27 C H5'' 2.300 . 3.300 3.035 3.027 3.044 . 0 0 "[ . 1]" 1
215 1 27 C H4' 1 27 C H5' 1.700 . 2.700 2.477 2.472 2.481 . 0 0 "[ . 1]" 1
216 1 27 C H4' 1 27 C H5'' 1.700 . 2.700 2.372 2.368 2.378 . 0 0 "[ . 1]" 1
217 1 27 C H6 1 28 C H5 4.000 . 5.000 4.096 4.071 4.138 . 0 0 "[ . 1]" 1
218 1 27 C H6 1 28 C H6 4.000 . 5.000 4.826 4.803 4.852 . 0 0 "[ . 1]" 1
219 1 27 C HO2' 1 28 C H6 1.700 . 2.700 4.248 3.683 4.665 1.965 9 10 [******-*+*] 1
220 1 27 C H3' 1 28 C H6 2.300 . 3.300 3.286 3.255 3.312 0.012 1 0 "[ . 1]" 1
221 1 28 C H6 1 28 C HO2' 3.000 . 4.000 5.128 4.846 5.412 1.412 10 10 [*-*******+] 1
222 1 28 C H3' 1 28 C H6 2.000 . 3.000 2.865 2.848 2.889 . 0 0 "[ . 1]" 1
223 1 28 C H3' 1 28 C H5'' 2.300 . 3.300 3.027 3.021 3.031 . 0 0 "[ . 1]" 1
224 1 28 C H4' 1 28 C H5' 1.700 . 2.700 2.485 2.484 2.486 . 0 0 "[ . 1]" 1
225 1 28 C H4' 1 28 C H5'' 1.700 . 2.700 2.369 2.366 2.371 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 58
_Distance_constraint_stats_list.Viol_count 21
_Distance_constraint_stats_list.Viol_total 182.880
_Distance_constraint_stats_list.Viol_max 2.021
_Distance_constraint_stats_list.Viol_rms 0.2393
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0315
_Distance_constraint_stats_list.Viol_average_violations_only 0.8709
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 0.000 0.000 . 0 "[ . 1]"
1 2 G 0.000 0.000 . 0 "[ . 1]"
1 3 G 0.000 0.000 . 0 "[ . 1]"
1 4 C 0.000 0.000 . 0 "[ . 1]"
1 5 U 0.001 0.001 6 0 "[ . 1]"
1 9 G 0.010 0.006 8 0 "[ . 1]"
1 10 G 0.000 0.000 4 0 "[ . 1]"
1 11 A 0.000 0.000 . 0 "[ . 1]"
1 12 U 0.000 0.000 2 0 "[ . 1]"
1 13 G 0.000 0.000 . 0 "[ . 1]"
1 14 G 18.275 2.021 7 10 [******+-**]
1 16 G 18.275 2.021 7 10 [******+-**]
1 17 A 0.000 0.000 . 0 "[ . 1]"
1 18 C 0.000 0.000 . 0 "[ . 1]"
1 19 G 0.000 0.000 2 0 "[ . 1]"
1 20 U 0.000 0.000 . 0 "[ . 1]"
1 21 C 0.000 0.000 4 0 "[ . 1]"
1 22 U 0.010 0.006 8 0 "[ . 1]"
1 24 G 0.001 0.001 6 0 "[ . 1]"
1 25 G 0.000 0.000 . 0 "[ . 1]"
1 26 C 0.000 0.000 . 0 "[ . 1]"
1 27 C 0.000 0.000 . 0 "[ . 1]"
1 28 C 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G N1 1 28 C N3 2.870 2.670 3.070 2.956 2.919 2.986 . 0 0 "[ . 1]" 2
2 1 1 G H1 1 28 C N3 1.860 . 2.060 1.951 1.916 1.980 . 0 0 "[ . 1]" 2
3 1 1 G O6 1 28 C N4 2.810 2.610 3.010 2.889 2.853 2.963 . 0 0 "[ . 1]" 2
4 1 1 G N2 1 28 C O2 2.810 2.610 3.010 2.911 2.852 3.003 . 0 0 "[ . 1]" 2
5 1 1 G N2 1 28 C N3 3.580 3.380 3.780 3.755 3.692 3.772 . 0 0 "[ . 1]" 2
6 1 1 G O6 1 28 C N3 3.630 3.430 3.830 3.588 3.514 3.664 . 0 0 "[ . 1]" 2
7 1 2 G N1 1 27 C N3 2.870 2.670 3.070 2.839 2.800 2.875 . 0 0 "[ . 1]" 2
8 1 2 G H1 1 27 C N3 1.860 . 2.060 1.833 1.794 1.869 . 0 0 "[ . 1]" 2
9 1 2 G O6 1 27 C N4 2.810 2.610 3.010 2.868 2.850 2.884 . 0 0 "[ . 1]" 2
10 1 2 G N2 1 27 C O2 2.810 2.610 3.010 2.724 2.655 2.798 . 0 0 "[ . 1]" 2
11 1 2 G N2 1 27 C N3 3.580 3.380 3.780 3.588 3.541 3.662 . 0 0 "[ . 1]" 2
12 1 2 G O6 1 27 C N3 3.630 3.430 3.830 3.578 3.480 3.625 . 0 0 "[ . 1]" 2
13 1 3 G N1 1 26 C N3 2.870 2.670 3.070 2.768 2.757 2.775 . 0 0 "[ . 1]" 2
14 1 3 G H1 1 26 C N3 1.860 . 2.060 1.760 1.750 1.767 . 0 0 "[ . 1]" 2
15 1 3 G O6 1 26 C N4 2.810 2.610 3.010 2.842 2.818 2.862 . 0 0 "[ . 1]" 2
16 1 3 G N2 1 26 C O2 2.810 2.610 3.010 2.618 2.611 2.629 . 0 0 "[ . 1]" 2
17 1 3 G N2 1 26 C N3 3.580 3.380 3.780 3.417 3.388 3.471 . 0 0 "[ . 1]" 2
18 1 3 G O6 1 26 C N3 3.630 3.430 3.830 3.632 3.590 3.663 . 0 0 "[ . 1]" 2
19 1 4 C N3 1 25 G N1 2.870 2.670 3.070 2.859 2.825 2.879 . 0 0 "[ . 1]" 2
20 1 4 C N3 1 25 G H1 1.860 . 2.060 1.862 1.822 1.884 . 0 0 "[ . 1]" 2
21 1 4 C N4 1 25 G O6 2.810 2.610 3.010 2.799 2.773 2.817 . 0 0 "[ . 1]" 2
22 1 4 C O2 1 25 G N2 2.810 2.610 3.010 2.889 2.819 2.930 . 0 0 "[ . 1]" 2
23 1 4 C N3 1 25 G N2 3.580 3.380 3.780 3.745 3.646 3.772 . 0 0 "[ . 1]" 2
24 1 4 C N3 1 25 G O6 3.630 3.430 3.830 3.445 3.434 3.495 . 0 0 "[ . 1]" 2
25 1 5 U H3 1 24 G O6 1.860 . 2.060 1.907 1.872 2.003 . 0 0 "[ . 1]" 2
26 1 5 U N3 1 24 G O6 2.870 2.670 3.070 2.874 2.836 2.966 . 0 0 "[ . 1]" 2
27 1 5 U O2 1 24 G H1 1.860 . 2.060 2.053 2.041 2.061 0.001 6 0 "[ . 1]" 2
28 1 5 U O2 1 24 G N1 2.870 2.670 3.070 3.046 3.028 3.058 . 0 0 "[ . 1]" 2
29 1 9 G O6 1 22 U H3 1.860 . 2.060 1.927 1.867 2.003 . 0 0 "[ . 1]" 2
30 1 9 G O6 1 22 U N3 2.870 2.670 3.070 2.932 2.871 3.012 . 0 0 "[ . 1]" 2
31 1 9 G H1 1 22 U O2 1.860 . 2.060 2.033 1.904 2.066 0.006 8 0 "[ . 1]" 2
32 1 9 G N1 1 22 U O2 2.870 2.670 3.070 3.035 2.904 3.067 . 0 0 "[ . 1]" 2
33 1 10 G N1 1 21 C N3 2.870 2.670 3.070 2.891 2.842 2.921 . 0 0 "[ . 1]" 2
34 1 10 G H1 1 21 C N3 1.860 . 2.060 1.890 1.840 1.917 . 0 0 "[ . 1]" 2
35 1 10 G O6 1 21 C N4 2.810 2.610 3.010 2.866 2.835 2.904 . 0 0 "[ . 1]" 2
36 1 10 G N2 1 21 C O2 2.810 2.610 3.010 2.849 2.724 2.919 . 0 0 "[ . 1]" 2
37 1 10 G N2 1 21 C N3 3.580 3.380 3.780 3.758 3.704 3.780 0.000 4 0 "[ . 1]" 2
38 1 10 G O6 1 21 C N3 3.630 3.430 3.830 3.490 3.457 3.528 . 0 0 "[ . 1]" 2
39 1 11 A N1 1 20 U H3 1.860 . 2.060 1.683 1.667 1.710 . 0 0 "[ . 1]" 2
40 1 11 A N1 1 20 U N3 2.870 2.670 3.070 2.686 2.671 2.711 . 0 0 "[ . 1]" 2
41 1 11 A H61 1 20 U O4 1.860 . 2.060 1.717 1.672 1.783 . 0 0 "[ . 1]" 2
42 1 11 A N6 1 20 U O4 2.870 2.670 3.070 2.719 2.675 2.785 . 0 0 "[ . 1]" 2
43 1 11 A H2 1 20 U O2 2.870 2.670 3.070 2.683 2.671 2.706 . 0 0 "[ . 1]" 2
44 1 11 A N1 1 20 U O4 3.630 3.430 3.830 3.495 3.466 3.530 . 0 0 "[ . 1]" 2
45 1 11 A N1 1 20 U O2 3.630 3.430 3.830 3.459 3.436 3.478 . 0 0 "[ . 1]" 2
46 1 12 U H3 1 19 G O6 1.860 . 2.060 2.058 2.056 2.060 0.000 2 0 "[ . 1]" 2
47 1 12 U N3 1 19 G O6 2.870 2.670 3.070 2.999 2.993 3.014 . 0 0 "[ . 1]" 2
48 1 12 U O2 1 19 G H1 1.860 . 2.060 1.974 1.911 2.021 . 0 0 "[ . 1]" 2
49 1 12 U O2 1 19 G N1 2.870 2.670 3.070 2.883 2.803 2.942 . 0 0 "[ . 1]" 2
50 1 13 G N1 1 18 C N3 2.870 2.670 3.070 2.854 2.828 2.878 . 0 0 "[ . 1]" 2
51 1 13 G H1 1 18 C N3 1.860 . 2.060 1.852 1.825 1.876 . 0 0 "[ . 1]" 2
52 1 13 G O6 1 18 C N4 2.810 2.610 3.010 2.954 2.875 3.008 . 0 0 "[ . 1]" 2
53 1 13 G N2 1 18 C O2 2.810 2.610 3.010 2.654 2.614 2.705 . 0 0 "[ . 1]" 2
54 1 13 G N2 1 18 C N3 3.580 3.380 3.780 3.388 3.382 3.394 . 0 0 "[ . 1]" 2
55 1 13 G O6 1 18 C N3 3.630 3.430 3.830 3.791 3.750 3.827 . 0 0 "[ . 1]" 2
56 1 14 G H22 1 17 A N7 1.860 . 2.160 1.892 1.855 1.951 . 0 0 "[ . 1]" 2
57 1 14 G N2 1 17 A N7 2.870 2.570 3.170 2.734 2.617 2.888 . 0 0 "[ . 1]" 2
58 1 14 G H2' 1 16 G N7 1.860 . 2.160 3.988 3.553 4.181 2.021 7 10 [******+-**] 2
stop_
save_
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