NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
375540 |
1f6z   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1f6z
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 262
_Distance_constraint_stats_list.Viol_count 56
_Distance_constraint_stats_list.Viol_total 2.244
_Distance_constraint_stats_list.Viol_max 0.198
_Distance_constraint_stats_list.Viol_rms 0.0251
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0086
_Distance_constraint_stats_list.Viol_average_violations_only 0.0401
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 0.241 0.083 1 0 "[ ]"
1 2 G 0.267 0.083 1 0 "[ ]"
1 3 A 0.068 0.029 1 0 "[ ]"
1 4 A 0.065 0.029 1 0 "[ ]"
1 5 G 0.058 0.024 1 0 "[ ]"
1 6 U 0.119 0.059 1 0 "[ ]"
1 7 U 0.068 0.035 1 0 "[ ]"
1 8 C 0.136 0.059 1 0 "[ ]"
1 9 G 0.101 0.048 1 0 "[ ]"
1 10 G 0.131 0.048 1 0 "[ ]"
1 11 U 0.214 0.101 1 0 "[ ]"
1 12 C 0.220 0.101 1 0 "[ ]"
1 13 U 0.332 0.198 1 0 "[ ]"
1 14 U 0.608 0.198 1 0 "[ ]"
1 15 C 0.455 0.166 1 0 "[ ]"
1 16 G 0.166 0.119 1 0 "[ ]"
1 17 G 0.181 0.119 1 0 "[ ]"
1 18 A 0.159 0.042 1 0 "[ ]"
1 19 C 0.193 0.051 1 0 "[ ]"
1 20 C 0.142 0.051 1 0 "[ ]"
1 21 G 0.093 0.037 1 0 "[ ]"
1 22 G 0.093 0.037 1 0 "[ ]"
1 23 C 0.065 0.042 1 0 "[ ]"
1 24 U 0.077 0.042 1 0 "[ ]"
1 25 U 0.035 0.035 1 0 "[ ]"
1 26 C 0.016 0.011 1 0 "[ ]"
1 27 C 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 1 G H1' 1 1 G H8 2.000 . 5.000 3.868 3.868 3.868 . 0 0 "[ ]" 1
2 1 1 G H2' 1 1 G H8 2.000 . 4.000 2.350 2.350 2.350 . 0 0 "[ ]" 1
3 1 1 G H1' 1 2 G H8 2.000 . 4.000 4.083 4.083 4.083 0.083 1 0 "[ ]" 1
4 1 1 G H2' 1 2 G H8 1.800 . 3.200 2.281 2.281 2.281 . 0 0 "[ ]" 1
5 1 1 G H2' 1 2 G H1' 2.500 2.500 5.000 5.068 5.068 5.068 0.068 1 0 "[ ]" 1
6 1 1 G H3' 1 2 G H8 2.000 . 4.000 4.065 4.065 4.065 0.065 1 0 "[ ]" 1
7 1 1 G H4' 1 2 G H8 3.000 3.000 7.000 4.930 4.930 4.930 . 0 0 "[ ]" 1
8 1 1 G H8 1 2 G H8 2.500 2.500 4.500 4.526 4.526 4.526 0.026 1 0 "[ ]" 1
9 1 2 G H1' 1 2 G H8 2.000 . 4.000 3.765 3.765 3.765 . 0 0 "[ ]" 1
10 1 2 G H2' 1 2 G H8 2.000 . 5.000 3.967 3.967 3.967 . 0 0 "[ ]" 1
11 1 2 G H1' 1 3 A H8 2.500 2.500 5.000 5.015 5.015 5.015 0.015 1 0 "[ ]" 1
12 1 2 G H2' 1 3 A H8 1.800 . 3.200 2.339 2.339 2.339 . 0 0 "[ ]" 1
13 1 2 G H2' 1 3 A H1' 2.500 2.500 5.000 4.558 4.558 4.558 . 0 0 "[ ]" 1
14 1 2 G H3' 1 3 A H8 1.800 . 3.200 3.167 3.167 3.167 . 0 0 "[ ]" 1
15 1 2 G H4' 1 3 A H8 3.000 3.000 7.000 5.707 5.707 5.707 . 0 0 "[ ]" 1
16 1 2 G H8 1 3 A H8 2.500 2.500 5.000 5.011 5.011 5.011 0.011 1 0 "[ ]" 1
17 1 3 A H1' 1 3 A H8 2.000 . 4.000 3.882 3.882 3.882 . 0 0 "[ ]" 1
18 1 3 A H2' 1 3 A H8 2.000 . 5.000 3.557 3.557 3.557 . 0 0 "[ ]" 1
19 1 3 A H1' 1 3 A H2 3.000 3.000 7.000 4.516 4.516 4.516 . 0 0 "[ ]" 1
20 1 3 A H1' 1 4 A H8 2.500 2.500 5.000 5.029 5.029 5.029 0.029 1 0 "[ ]" 1
21 1 3 A H2' 1 4 A H8 1.800 . 3.200 2.333 2.333 2.333 . 0 0 "[ ]" 1
22 1 3 A H2' 1 4 A H1' 3.000 3.000 7.000 3.909 3.909 3.909 . 0 0 "[ ]" 1
23 1 3 A H3' 1 4 A H8 2.000 . 4.000 3.635 3.635 3.635 . 0 0 "[ ]" 1
24 1 3 A H4' 1 4 A H8 3.000 3.000 7.000 5.815 5.815 5.815 . 0 0 "[ ]" 1
25 1 3 A H8 1 4 A H8 2.500 2.500 5.000 5.005 5.005 5.005 0.005 1 0 "[ ]" 1
26 1 3 A H2 1 4 A H1' 2.000 . 4.000 4.003 4.003 4.003 0.003 1 0 "[ ]" 1
27 1 3 A H2 1 4 A H2 2.000 . 5.000 4.640 4.640 4.640 . 0 0 "[ ]" 1
28 1 3 A H2 1 26 C H1' 2.000 . 4.000 4.005 4.005 4.005 0.005 1 0 "[ ]" 1
29 1 4 A H1' 1 4 A H8 2.000 . 4.000 3.848 3.848 3.848 . 0 0 "[ ]" 1
30 1 4 A H2' 1 4 A H8 2.000 . 5.000 3.713 3.713 3.713 . 0 0 "[ ]" 1
31 1 4 A H1' 1 4 A H2 3.000 3.000 7.000 4.570 4.570 4.570 . 0 0 "[ ]" 1
32 1 4 A H1' 1 5 G H8 2.500 2.500 5.000 5.024 5.024 5.024 0.024 1 0 "[ ]" 1
33 1 4 A H1' 1 5 G H1' 2.500 2.500 5.000 5.004 5.004 5.004 0.004 1 0 "[ ]" 1
34 1 4 A H2' 1 5 G H8 1.800 . 3.200 2.340 2.340 2.340 . 0 0 "[ ]" 1
35 1 4 A H2' 1 5 G H1' 2.500 2.500 5.000 3.940 3.940 3.940 . 0 0 "[ ]" 1
36 1 4 A H3' 1 5 G H8 2.500 2.500 5.000 3.558 3.558 3.558 . 0 0 "[ ]" 1
37 1 4 A H4' 1 5 G H8 3.000 3.000 7.000 5.878 5.878 5.878 . 0 0 "[ ]" 1
38 1 4 A H8 1 5 G H8 2.500 2.500 5.000 4.997 4.997 4.997 . 0 0 "[ ]" 1
39 1 4 A H2 1 5 G H1' 2.000 . 4.000 3.865 3.865 3.865 . 0 0 "[ ]" 1
40 1 4 A H2 1 5 G H8 3.000 3.000 7.000 5.997 5.997 5.997 . 0 0 "[ ]" 1
41 1 4 A H2 1 25 U H1' 2.000 . 4.000 3.848 3.848 3.848 . 0 0 "[ ]" 1
42 1 5 G H1' 1 5 G H8 2.000 . 4.000 3.818 3.818 3.818 . 0 0 "[ ]" 1
43 1 5 G H2' 1 5 G H8 2.000 . 5.000 3.723 3.723 3.723 . 0 0 "[ ]" 1
44 1 5 G H1' 1 6 U H6 2.500 2.500 5.000 5.019 5.019 5.019 0.019 1 0 "[ ]" 1
45 1 5 G H1' 1 6 U H5 3.000 3.000 6.000 5.458 5.458 5.458 . 0 0 "[ ]" 1
46 1 5 G H2' 1 6 U H6 1.800 . 3.800 2.482 2.482 2.482 . 0 0 "[ ]" 1
47 1 5 G H2' 1 6 U H5 2.500 2.500 5.000 3.917 3.917 3.917 . 0 0 "[ ]" 1
48 1 5 G H3' 1 6 U H6 2.500 2.500 5.000 3.074 3.074 3.074 . 0 0 "[ ]" 1
49 1 5 G H3' 1 6 U H5 2.500 2.500 5.000 3.675 3.675 3.675 . 0 0 "[ ]" 1
50 1 5 G H4' 1 6 U H6 3.000 3.000 7.000 5.781 5.781 5.781 . 0 0 "[ ]" 1
51 1 5 G H8 1 6 U H6 2.000 . 4.000 4.010 4.010 4.010 0.010 1 0 "[ ]" 1
52 1 5 G H8 1 6 U H5 2.000 . 4.000 2.726 2.726 2.726 . 0 0 "[ ]" 1
53 1 6 U H1' 1 6 U H6 2.000 . 4.000 3.683 3.683 3.683 . 0 0 "[ ]" 1
54 1 6 U H2' 1 6 U H6 1.800 . 3.800 3.206 3.206 3.206 . 0 0 "[ ]" 1
55 1 6 U H1' 1 7 U H6 3.000 3.000 7.000 7.030 7.030 7.030 0.030 1 0 "[ ]" 1
56 1 6 U H2' 1 7 U H6 3.000 3.000 7.000 5.446 5.446 5.446 . 0 0 "[ ]" 1
57 1 6 U H1' 1 8 C H6 3.000 3.000 7.000 5.012 5.012 5.012 . 0 0 "[ ]" 1
58 1 6 U H2' 1 8 C H6 2.500 2.500 5.000 2.728 2.728 2.728 . 0 0 "[ ]" 1
59 1 6 U H2' 1 8 C H5 2.000 . 4.000 3.422 3.422 3.422 . 0 0 "[ ]" 1
60 1 6 U H4' 1 8 C H6 3.000 3.000 7.000 6.544 6.544 6.544 . 0 0 "[ ]" 1
61 1 6 U H6 1 8 C H6 2.500 2.500 5.000 5.059 5.059 5.059 0.059 1 0 "[ ]" 1
62 1 6 U H6 1 8 C H5 3.000 3.000 7.000 3.921 3.921 3.921 . 0 0 "[ ]" 1
63 1 6 U H5 1 8 C H5 3.000 3.000 7.000 3.464 3.464 3.464 . 0 0 "[ ]" 1
64 1 7 U H1' 1 7 U H6 2.000 . 4.000 2.364 2.364 2.364 . 0 0 "[ ]" 1
65 1 7 U H2' 1 7 U H5 2.500 2.500 5.000 5.003 5.003 5.003 0.003 1 0 "[ ]" 1
66 1 7 U H6 1 8 C H5 2.500 2.500 5.000 4.236 4.236 4.236 . 0 0 "[ ]" 1
67 1 7 U H2' 1 8 C H6 2.000 . 4.000 4.035 4.035 4.035 0.035 1 0 "[ ]" 1
68 1 7 U H3' 1 8 C H6 2.500 2.500 5.000 4.848 4.848 4.848 . 0 0 "[ ]" 1
69 1 7 U H4' 1 8 C H6 2.500 2.500 5.000 3.536 3.536 3.536 . 0 0 "[ ]" 1
70 1 8 C H1' 1 8 C H6 2.000 . 4.000 3.610 3.610 3.610 . 0 0 "[ ]" 1
71 1 8 C H2' 1 8 C H6 1.800 . 3.800 3.733 3.733 3.733 . 0 0 "[ ]" 1
72 1 8 C H1' 1 8 C H5 3.000 3.000 7.000 5.353 5.353 5.353 . 0 0 "[ ]" 1
73 1 8 C H1' 1 9 G H8 2.500 2.500 5.000 5.010 5.010 5.010 0.010 1 0 "[ ]" 1
74 1 8 C H1' 1 9 G H1' 3.000 3.000 7.000 5.753 5.753 5.753 . 0 0 "[ ]" 1
75 1 8 C H2' 1 9 G H8 1.800 . 3.200 2.324 2.324 2.324 . 0 0 "[ ]" 1
76 1 8 C H2' 1 9 G H1' 2.500 2.500 5.000 4.379 4.379 4.379 . 0 0 "[ ]" 1
77 1 8 C H3' 1 9 G H8 2.500 2.500 5.000 3.563 3.563 3.563 . 0 0 "[ ]" 1
78 1 8 C H4' 1 9 G H8 3.000 3.000 7.000 5.893 5.893 5.893 . 0 0 "[ ]" 1
79 1 8 C H6 1 9 G H8 2.500 2.500 5.000 5.032 5.032 5.032 0.032 1 0 "[ ]" 1
80 1 9 G H1' 1 9 G H8 2.500 2.500 5.000 3.839 3.839 3.839 . 0 0 "[ ]" 1
81 1 9 G H2' 1 9 G H8 2.500 2.500 5.000 3.712 3.712 3.712 . 0 0 "[ ]" 1
82 1 9 G H1' 1 10 G H8 2.500 2.500 5.000 5.048 5.048 5.048 0.048 1 0 "[ ]" 1
83 1 9 G H2' 1 10 G H8 1.800 . 3.200 2.325 2.325 2.325 . 0 0 "[ ]" 1
84 1 9 G H2' 1 10 G H1' 2.500 2.500 5.000 3.718 3.718 3.718 . 0 0 "[ ]" 1
85 1 9 G H3' 1 10 G H8 2.000 . 4.000 3.559 3.559 3.559 . 0 0 "[ ]" 1
86 1 9 G H4' 1 10 G H8 3.000 3.000 7.000 5.814 5.814 5.814 . 0 0 "[ ]" 1
87 1 9 G H8 1 10 G H8 2.500 2.500 5.000 5.012 5.012 5.012 0.012 1 0 "[ ]" 1
88 1 10 G H1' 1 11 U H6 2.500 2.500 5.000 5.043 5.043 5.043 0.043 1 0 "[ ]" 1
89 1 10 G H1' 1 11 U H5 3.000 3.000 6.000 5.503 5.503 5.503 . 0 0 "[ ]" 1
90 1 10 G H2' 1 11 U H6 1.800 . 3.200 2.307 2.307 2.307 . 0 0 "[ ]" 1
91 1 10 G H2' 1 11 U H5 2.000 . 4.000 3.380 3.380 3.380 . 0 0 "[ ]" 1
92 1 10 G H2' 1 11 U H1' 2.500 2.500 5.000 4.002 4.002 4.002 . 0 0 "[ ]" 1
93 1 10 G H3' 1 11 U H6 2.000 . 4.000 3.270 3.270 3.270 . 0 0 "[ ]" 1
94 1 10 G H8 1 11 U H6 2.500 2.500 5.000 5.026 5.026 5.026 0.026 1 0 "[ ]" 1
95 1 10 G H8 1 11 U H5 2.000 . 4.000 4.003 4.003 4.003 0.003 1 0 "[ ]" 1
96 1 11 U H1' 1 11 U H6 2.000 . 4.000 3.571 3.571 3.571 . 0 0 "[ ]" 1
97 1 11 U H2' 1 11 U H6 2.500 2.500 5.000 3.855 3.855 3.855 . 0 0 "[ ]" 1
98 1 11 U H1' 1 11 U H5 3.000 3.000 7.000 5.344 5.344 5.344 . 0 0 "[ ]" 1
99 1 11 U H1' 1 12 C H6 2.500 2.500 5.000 5.031 5.031 5.031 0.031 1 0 "[ ]" 1
100 1 11 U H2' 1 12 C H1' 2.500 2.500 5.000 4.345 4.345 4.345 . 0 0 "[ ]" 1
101 1 11 U H2' 1 12 C H6 1.800 . 3.200 2.289 2.289 2.289 . 0 0 "[ ]" 1
102 1 11 U H2' 1 12 C H5 2.000 . 4.000 3.179 3.179 3.179 . 0 0 "[ ]" 1
103 1 11 U H3' 1 12 C H6 2.000 . 4.000 2.784 2.784 2.784 . 0 0 "[ ]" 1
104 1 11 U H4' 1 12 C H6 2.500 2.500 5.000 5.101 5.101 5.101 0.101 1 0 "[ ]" 1
105 1 11 U H6 1 12 C H6 3.000 3.000 7.000 5.058 5.058 5.058 . 0 0 "[ ]" 1
106 1 11 U H6 1 12 C H5 2.500 2.500 5.000 3.722 3.722 3.722 . 0 0 "[ ]" 1
107 1 11 U H5 1 12 C H5 2.000 . 4.000 4.010 4.010 4.010 0.010 1 0 "[ ]" 1
108 1 12 C H1' 1 12 C H6 2.000 . 4.000 3.619 3.619 3.619 . 0 0 "[ ]" 1
109 1 12 C H2' 1 12 C H6 2.500 2.500 5.000 3.775 3.775 3.775 . 0 0 "[ ]" 1
110 1 12 C H1' 1 13 U H6 2.500 2.500 5.000 5.036 5.036 5.036 0.036 1 0 "[ ]" 1
111 1 12 C H2' 1 13 U H1' 3.000 3.000 7.000 3.844 3.844 3.844 . 0 0 "[ ]" 1
112 1 12 C H2' 1 13 U H6 1.800 . 3.200 2.576 2.576 2.576 . 0 0 "[ ]" 1
113 1 12 C H3' 1 13 U H6 2.000 . 5.000 2.310 2.310 2.310 . 0 0 "[ ]" 1
114 1 12 C H4' 1 13 U H6 3.000 3.000 7.000 5.201 5.201 5.201 . 0 0 "[ ]" 1
115 1 12 C H6 1 13 U H6 3.000 3.000 7.000 4.024 4.024 4.024 . 0 0 "[ ]" 1
116 1 12 C H6 1 13 U H5 2.500 2.500 5.000 3.636 3.636 3.636 . 0 0 "[ ]" 1
117 1 12 C H5 1 13 U H5 2.000 . 4.000 3.888 3.888 3.888 . 0 0 "[ ]" 1
118 1 13 U H1' 1 13 U H6 2.000 . 4.000 3.495 3.495 3.495 . 0 0 "[ ]" 1
119 1 13 U H2' 1 13 U H6 2.500 2.500 5.000 4.046 4.046 4.046 . 0 0 "[ ]" 1
120 1 13 U H1' 1 14 U H5 3.000 3.000 5.000 2.902 2.902 2.902 0.098 1 0 "[ ]" 1
121 1 13 U H3' 1 14 U H5 3.000 3.000 7.000 4.726 4.726 4.726 . 0 0 "[ ]" 1
122 1 13 U H4' 1 14 U H5 2.000 . 4.000 2.325 2.325 2.325 . 0 0 "[ ]" 1
123 1 13 U H2' 1 14 U H6 3.000 3.000 7.000 3.785 3.785 3.785 . 0 0 "[ ]" 1
124 1 13 U H2' 1 14 U H5 2.000 . 4.000 4.198 4.198 4.198 0.198 1 0 "[ ]" 1
125 1 13 U H6 1 14 U H5 3.000 3.000 7.000 5.240 5.240 5.240 . 0 0 "[ ]" 1
126 1 13 U H3' 1 15 C H5 3.000 3.000 7.000 5.039 5.039 5.039 . 0 0 "[ ]" 1
127 1 14 U H1' 1 14 U H6 2.000 . 4.000 3.717 3.717 3.717 . 0 0 "[ ]" 1
128 1 14 U H2' 1 14 U H6 1.800 . 3.200 2.268 2.268 2.268 . 0 0 "[ ]" 1
129 1 14 U H2' 1 15 C H6 2.500 2.500 5.000 2.401 2.401 2.401 0.099 1 0 "[ ]" 1
130 1 14 U H2' 1 15 C H5 2.500 2.500 5.000 3.552 3.552 3.552 . 0 0 "[ ]" 1
131 1 14 U H6 1 15 C H6 2.000 . 4.000 4.166 4.166 4.166 0.166 1 0 "[ ]" 1
132 1 14 U H3' 1 15 C H5 2.000 . 4.000 2.345 2.345 2.345 . 0 0 "[ ]" 1
133 1 14 U H4' 1 15 C H5 2.500 2.500 5.000 4.402 4.402 4.402 . 0 0 "[ ]" 1
134 1 14 U H5' 1 15 C H5 2.000 . 4.000 4.047 4.047 4.047 0.047 1 0 "[ ]" 1
135 1 14 U H5'' 1 15 C H5 2.000 . 4.000 2.953 2.953 2.953 . 0 0 "[ ]" 1
136 1 15 C H1' 1 15 C H6 2.500 2.500 5.000 3.375 3.375 3.375 . 0 0 "[ ]" 1
137 1 15 C H2' 1 15 C H6 2.000 . 4.000 3.775 3.775 3.775 . 0 0 "[ ]" 1
138 1 15 C H2' 1 15 C H5 2.500 2.500 5.000 5.142 5.142 5.142 0.142 1 0 "[ ]" 1
139 1 15 C H3' 1 16 G H1' 3.000 3.000 7.000 5.351 5.351 5.351 . 0 0 "[ ]" 1
140 1 15 C H4' 1 16 G H1' 3.000 3.000 7.000 3.092 3.092 3.092 . 0 0 "[ ]" 1
141 1 15 C H4' 1 16 G H3' 3.000 3.000 7.000 4.403 4.403 4.403 . 0 0 "[ ]" 1
142 1 16 G H1' 1 16 G H8 1.800 . 3.200 3.031 3.031 3.031 . 0 0 "[ ]" 1
143 1 16 G H2' 1 16 G H8 2.500 2.500 5.000 2.472 2.472 2.472 0.028 1 0 "[ ]" 1
144 1 16 G H2' 1 17 G H8 2.500 2.500 5.000 3.593 3.593 3.593 . 0 0 "[ ]" 1
145 1 16 G H3' 1 17 G H8 2.500 2.500 5.000 2.481 2.481 2.481 0.019 1 0 "[ ]" 1
146 1 16 G H8 1 17 G H8 2.500 2.500 5.000 5.119 5.119 5.119 0.119 1 0 "[ ]" 1
147 1 17 G H1' 1 17 G H8 2.000 . 4.000 3.855 3.855 3.855 . 0 0 "[ ]" 1
148 1 17 G H2' 1 17 G H8 2.500 2.500 5.000 3.488 3.488 3.488 . 0 0 "[ ]" 1
149 1 17 G H1' 1 18 A H8 2.500 2.500 5.000 4.801 4.801 4.801 . 0 0 "[ ]" 1
150 1 17 G H2' 1 18 A H1' 2.500 2.500 5.000 4.598 4.598 4.598 . 0 0 "[ ]" 1
151 1 17 G H2' 1 18 A H8 1.800 . 3.200 2.331 2.331 2.331 . 0 0 "[ ]" 1
152 1 17 G H8 1 18 A H8 2.000 . 4.000 4.042 4.042 4.042 0.042 1 0 "[ ]" 1
153 1 18 A H1' 1 18 A H8 2.500 2.500 5.000 3.892 3.892 3.892 . 0 0 "[ ]" 1
154 1 18 A H2' 1 18 A H8 2.500 2.500 5.000 3.411 3.411 3.411 . 0 0 "[ ]" 1
155 1 18 A H1' 1 18 A H2 3.000 3.000 7.000 4.503 4.503 4.503 . 0 0 "[ ]" 1
156 1 18 A H1' 1 19 C H1' 3.000 3.000 7.000 4.500 4.500 4.500 . 0 0 "[ ]" 1
157 1 18 A H1' 1 19 C H5 3.000 3.000 7.000 6.322 6.322 6.322 . 0 0 "[ ]" 1
158 1 18 A H1' 1 19 C H6 2.500 2.500 5.000 5.024 5.024 5.024 0.024 1 0 "[ ]" 1
159 1 18 A H2' 1 19 C H1' 2.500 2.500 5.000 3.675 3.675 3.675 . 0 0 "[ ]" 1
160 1 18 A H2' 1 19 C H5 3.000 3.000 7.000 3.717 3.717 3.717 . 0 0 "[ ]" 1
161 1 18 A H2' 1 19 C H6 2.000 . 4.000 2.318 2.318 2.318 . 0 0 "[ ]" 1
162 1 18 A H3' 1 19 C H6 2.500 2.500 5.000 3.761 3.761 3.761 . 0 0 "[ ]" 1
163 1 18 A H8 1 19 C H5 2.500 2.500 5.000 4.660 4.660 4.660 . 0 0 "[ ]" 1
164 1 18 A H8 1 19 C H6 2.500 2.500 5.000 5.020 5.020 5.020 0.020 1 0 "[ ]" 1
165 1 18 A H2 1 19 C H1' 2.000 . 4.000 4.031 4.031 4.031 0.031 1 0 "[ ]" 1
166 1 18 A H2 1 19 C H6 3.000 3.000 7.000 6.658 6.658 6.658 . 0 0 "[ ]" 1
167 1 12 C H1' 1 18 A H2 2.000 . 4.000 4.042 4.042 4.042 0.042 1 0 "[ ]" 1
168 1 19 C H1' 1 19 C H6 2.000 . 4.000 3.631 3.631 3.631 . 0 0 "[ ]" 1
169 1 19 C H2' 1 19 C H6 2.500 2.500 5.000 3.690 3.690 3.690 . 0 0 "[ ]" 1
170 1 19 C H1' 1 19 C H5 3.000 3.000 7.000 5.373 5.373 5.373 . 0 0 "[ ]" 1
171 1 19 C H1' 1 20 C H1' 3.000 3.000 7.000 6.088 6.088 6.088 . 0 0 "[ ]" 1
172 1 19 C H1' 1 20 C H5 3.000 3.000 7.000 5.548 5.548 5.548 . 0 0 "[ ]" 1
173 1 19 C H1' 1 20 C H6 2.500 2.500 5.000 5.051 5.051 5.051 0.051 1 0 "[ ]" 1
174 1 19 C H2' 1 20 C H1' 2.500 2.500 5.000 4.047 4.047 4.047 . 0 0 "[ ]" 1
175 1 19 C H2' 1 20 C H5 2.500 2.500 5.000 3.230 3.230 3.230 . 0 0 "[ ]" 1
176 1 19 C H2' 1 20 C H6 2.000 . 4.000 2.321 2.321 2.321 . 0 0 "[ ]" 1
177 1 19 C H3' 1 20 C H6 2.500 2.500 5.000 2.905 2.905 2.905 . 0 0 "[ ]" 1
178 1 19 C H4' 1 20 C H6 2.500 2.500 5.000 5.047 5.047 5.047 0.047 1 0 "[ ]" 1
179 1 19 C H5 1 20 C H5 2.500 2.500 5.000 4.376 4.376 4.376 . 0 0 "[ ]" 1
180 1 19 C H5 1 20 C H6 3.000 3.000 7.000 6.210 6.210 6.210 . 0 0 "[ ]" 1
181 1 19 C H6 1 20 C H5 2.500 2.500 5.000 4.049 4.049 4.049 . 0 0 "[ ]" 1
182 1 19 C H6 1 20 C H6 2.500 2.500 5.000 5.021 5.021 5.021 0.021 1 0 "[ ]" 1
183 1 20 C H1' 1 20 C H6 2.000 . 4.000 3.510 3.510 3.510 . 0 0 "[ ]" 1
184 1 20 C H2' 1 20 C H6 2.500 2.500 5.000 4.042 4.042 4.042 . 0 0 "[ ]" 1
185 1 20 C H1' 1 20 C H5 3.000 3.000 7.000 5.286 5.286 5.286 . 0 0 "[ ]" 1
186 1 20 C H1' 1 21 G H8 2.500 2.500 5.000 4.931 4.931 4.931 . 0 0 "[ ]" 1
187 1 20 C H2' 1 21 G H1' 2.500 2.500 5.000 4.586 4.586 4.586 . 0 0 "[ ]" 1
188 1 20 C H2' 1 21 G H8 1.800 . 3.200 2.343 2.343 2.343 . 0 0 "[ ]" 1
189 1 20 C H3' 1 21 G H8 2.000 . 4.000 3.098 3.098 3.098 . 0 0 "[ ]" 1
190 1 20 C H5 1 21 G H8 3.000 3.000 7.000 5.566 5.566 5.566 . 0 0 "[ ]" 1
191 1 20 C H6 1 21 G H8 2.500 2.500 5.000 5.023 5.023 5.023 0.023 1 0 "[ ]" 1
192 1 21 G H1' 1 21 G H8 2.000 . 4.000 3.892 3.892 3.892 . 0 0 "[ ]" 1
193 1 21 G H2' 1 21 G H8 2.500 2.500 5.000 3.392 3.392 3.392 . 0 0 "[ ]" 1
194 1 21 G H1' 1 22 G H8 2.000 . 5.000 5.006 5.006 5.006 0.006 1 0 "[ ]" 1
195 1 21 G H2' 1 22 G H1' 3.000 3.000 7.000 4.861 4.861 4.861 . 0 0 "[ ]" 1
196 1 21 G H2' 1 22 G H8 1.800 . 3.200 2.336 2.336 2.336 . 0 0 "[ ]" 1
197 1 21 G H3' 1 22 G H8 2.000 . 4.000 3.208 3.208 3.208 . 0 0 "[ ]" 1
198 1 21 G H4' 1 22 G H8 2.500 2.500 5.000 5.037 5.037 5.037 0.037 1 0 "[ ]" 1
199 1 21 G H8 1 22 G H8 2.500 2.500 5.000 5.027 5.027 5.027 0.027 1 0 "[ ]" 1
200 1 22 G H1' 1 22 G H8 2.000 . 4.000 3.726 3.726 3.726 . 0 0 "[ ]" 1
201 1 22 G H2' 1 22 G H8 2.500 2.500 5.000 4.113 4.113 4.113 . 0 0 "[ ]" 1
202 1 22 G H3' 1 22 G H8 2.500 2.500 5.000 3.209 3.209 3.209 . 0 0 "[ ]" 1
203 1 22 G H1' 1 23 C H1' 3.000 3.000 7.000 5.929 5.929 5.929 . 0 0 "[ ]" 1
204 1 22 G H1' 1 23 C H5 3.000 3.000 7.000 5.421 5.421 5.421 . 0 0 "[ ]" 1
205 1 22 G H1' 1 23 C H6 2.500 2.500 5.000 5.019 5.019 5.019 0.019 1 0 "[ ]" 1
206 1 22 G H2' 1 23 C H1' 2.500 2.500 5.000 3.733 3.733 3.733 . 0 0 "[ ]" 1
207 1 22 G H2' 1 23 C H5 2.500 2.500 5.000 3.546 3.546 3.546 . 0 0 "[ ]" 1
208 1 22 G H2' 1 23 C H6 2.000 . 4.000 2.342 2.342 2.342 . 0 0 "[ ]" 1
209 1 22 G H3' 1 23 C H6 2.500 2.500 5.000 2.497 2.497 2.497 0.003 1 0 "[ ]" 1
210 1 22 G H8 1 23 C H5 2.500 2.500 5.000 3.650 3.650 3.650 . 0 0 "[ ]" 1
211 1 22 G H8 1 23 C H6 2.500 2.500 5.000 5.002 5.002 5.002 0.002 1 0 "[ ]" 1
212 1 23 C H1' 1 23 C H6 2.000 . 4.000 3.548 3.548 3.548 . 0 0 "[ ]" 1
213 1 23 C H2' 1 23 C H6 2.500 2.500 5.000 3.935 3.935 3.935 . 0 0 "[ ]" 1
214 1 23 C H1' 1 23 C H5 3.000 3.000 7.000 5.310 5.310 5.310 . 0 0 "[ ]" 1
215 1 23 C H1' 1 24 U H5 3.000 3.000 7.000 5.670 5.670 5.670 . 0 0 "[ ]" 1
216 1 23 C H1' 1 24 U H6 2.500 2.500 5.000 5.042 5.042 5.042 0.042 1 0 "[ ]" 1
217 1 23 C H2' 1 24 U H1' 3.000 3.000 7.000 3.699 3.699 3.699 . 0 0 "[ ]" 1
218 1 23 C H2' 1 24 U H5 3.000 3.000 7.000 3.628 3.628 3.628 . 0 0 "[ ]" 1
219 1 23 C H2' 1 24 U H6 1.800 . 3.200 2.325 2.325 2.325 . 0 0 "[ ]" 1
220 1 23 C H3' 1 24 U H6 2.500 2.500 5.000 2.673 2.673 2.673 . 0 0 "[ ]" 1
221 1 23 C H5 1 24 U H5 2.500 2.500 5.000 4.149 4.149 4.149 . 0 0 "[ ]" 1
222 1 23 C H5 1 24 U H6 3.000 3.000 7.000 5.914 5.914 5.914 . 0 0 "[ ]" 1
223 1 23 C H6 1 24 U H5 3.000 3.000 7.000 4.108 4.108 4.108 . 0 0 "[ ]" 1
224 1 23 C H6 1 24 U H6 2.500 2.500 5.000 5.000 5.000 5.000 . 0 0 "[ ]" 1
225 1 24 U H1' 1 24 U H6 2.500 2.500 5.000 3.546 3.546 3.546 . 0 0 "[ ]" 1
226 1 24 U H2' 1 24 U H6 2.500 2.500 5.000 3.850 3.850 3.850 . 0 0 "[ ]" 1
227 1 24 U H1' 1 24 U H5 3.000 3.000 7.000 5.325 5.325 5.325 . 0 0 "[ ]" 1
228 1 24 U H1' 1 25 U H5 3.000 3.000 7.000 6.067 6.067 6.067 . 0 0 "[ ]" 1
229 1 24 U H1' 1 25 U H6 2.500 2.500 5.000 5.035 5.035 5.035 0.035 1 0 "[ ]" 1
230 1 24 U H2' 1 25 U H1' 3.000 3.000 7.000 3.937 3.937 3.937 . 0 0 "[ ]" 1
231 1 24 U H2' 1 25 U H5 3.000 3.000 7.000 3.373 3.373 3.373 . 0 0 "[ ]" 1
232 1 24 U H2' 1 25 U H6 1.800 . 3.200 2.336 2.336 2.336 . 0 0 "[ ]" 1
233 1 24 U H3' 1 25 U H6 2.000 . 4.000 3.298 3.298 3.298 . 0 0 "[ ]" 1
234 1 24 U H5 1 25 U H5 3.000 3.000 7.000 5.871 5.871 5.871 . 0 0 "[ ]" 1
235 1 24 U H5 1 25 U H6 3.000 3.000 7.000 6.976 6.976 6.976 . 0 0 "[ ]" 1
236 1 24 U H6 1 25 U H5 3.000 3.000 7.000 5.398 5.398 5.398 . 0 0 "[ ]" 1
237 1 24 U H6 1 25 U H6 3.000 3.000 7.000 5.780 5.780 5.780 . 0 0 "[ ]" 1
238 1 25 U H1' 1 25 U H6 2.500 2.500 5.000 3.536 3.536 3.536 . 0 0 "[ ]" 1
239 1 25 U H2' 1 25 U H6 2.500 2.500 5.000 3.957 3.957 3.957 . 0 0 "[ ]" 1
240 1 25 U H1' 1 25 U H5 3.000 3.000 7.000 5.320 5.320 5.320 . 0 0 "[ ]" 1
241 1 25 U H1' 1 26 C H6 2.500 2.500 5.000 4.909 4.909 4.909 . 0 0 "[ ]" 1
242 1 25 U H2' 1 26 C H1' 3.000 3.000 7.000 4.911 4.911 4.911 . 0 0 "[ ]" 1
243 1 25 U H2' 1 26 C H5 3.000 3.000 7.000 3.784 3.784 3.784 . 0 0 "[ ]" 1
244 1 25 U H2' 1 26 C H6 2.000 . 4.000 2.344 2.344 2.344 . 0 0 "[ ]" 1
245 1 25 U H3' 1 26 C H6 2.500 2.500 5.000 3.271 3.271 3.271 . 0 0 "[ ]" 1
246 1 25 U H5 1 26 C H5 2.500 2.500 5.000 3.646 3.646 3.646 . 0 0 "[ ]" 1
247 1 25 U H5 1 26 C H6 3.000 3.000 7.000 5.535 5.535 5.535 . 0 0 "[ ]" 1
248 1 25 U H6 1 26 C H5 2.500 2.500 5.000 4.110 4.110 4.110 . 0 0 "[ ]" 1
249 1 25 U H6 1 26 C H6 2.500 2.500 5.000 4.994 4.994 4.994 . 0 0 "[ ]" 1
250 1 26 C H1' 1 26 C H6 2.500 2.500 5.000 3.613 3.613 3.613 . 0 0 "[ ]" 1
251 1 26 C H2' 1 26 C H6 2.500 2.500 5.000 3.650 3.650 3.650 . 0 0 "[ ]" 1
252 1 26 C H1' 1 27 C H6 2.500 2.500 5.000 5.011 5.011 5.011 0.011 1 0 "[ ]" 1
253 1 26 C H2' 1 27 C H1' 3.000 3.000 7.000 4.396 4.396 4.396 . 0 0 "[ ]" 1
254 1 26 C H2' 1 27 C H5 2.500 2.500 5.000 4.725 4.725 4.725 . 0 0 "[ ]" 1
255 1 26 C H2' 1 27 C H6 2.000 . 4.000 2.735 2.735 2.735 . 0 0 "[ ]" 1
256 1 26 C H3' 1 27 C H6 2.500 2.500 5.000 3.880 3.880 3.880 . 0 0 "[ ]" 1
257 1 26 C H4' 1 27 C H6 3.000 3.000 7.000 6.330 6.330 6.330 . 0 0 "[ ]" 1
258 1 26 C H5 1 27 C H5 2.500 2.500 5.000 3.384 3.384 3.384 . 0 0 "[ ]" 1
259 1 26 C H6 1 27 C H5 2.500 2.500 5.000 4.497 4.497 4.497 . 0 0 "[ ]" 1
260 1 26 C H6 1 27 C H6 2.500 2.500 5.000 4.410 4.410 4.410 . 0 0 "[ ]" 1
261 1 27 C H1' 1 27 C H6 . 3.000 5.000 3.440 3.440 3.440 . 0 0 "[ ]" 1
262 1 27 C H2' 1 27 C H6 2.500 2.500 5.000 4.172 4.172 4.172 . 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 49
_Distance_constraint_stats_list.Viol_count 30
_Distance_constraint_stats_list.Viol_total 0.407
_Distance_constraint_stats_list.Viol_max 0.048
_Distance_constraint_stats_list.Viol_rms 0.0116
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0083
_Distance_constraint_stats_list.Viol_average_violations_only 0.0136
_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 0.020 0.015 1 0 "[ ]"
1 2 G 0.018 0.013 1 0 "[ ]"
1 3 A 0.005 0.005 1 0 "[ ]"
1 4 A 0.020 0.008 1 0 "[ ]"
1 5 G 0.027 0.009 1 0 "[ ]"
1 6 U 0.018 0.016 1 0 "[ ]"
1 8 C 0.026 0.023 1 0 "[ ]"
1 9 G 0.010 0.008 1 0 "[ ]"
1 10 G 0.055 0.034 1 0 "[ ]"
1 11 U 0.067 0.029 1 0 "[ ]"
1 12 C 0.064 0.039 1 0 "[ ]"
1 13 U 0.078 0.048 1 0 "[ ]"
1 16 G 0.078 0.048 1 0 "[ ]"
1 17 G 0.064 0.039 1 0 "[ ]"
1 18 A 0.067 0.029 1 0 "[ ]"
1 19 C 0.055 0.034 1 0 "[ ]"
1 20 C 0.010 0.008 1 0 "[ ]"
1 21 G 0.026 0.023 1 0 "[ ]"
1 22 G 0.018 0.016 1 0 "[ ]"
1 23 C 0.027 0.009 1 0 "[ ]"
1 24 U 0.020 0.008 1 0 "[ ]"
1 25 U 0.005 0.005 1 0 "[ ]"
1 26 C 0.018 0.013 1 0 "[ ]"
1 27 C 0.020 0.015 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G O6 1 27 C H41 1.700 . 1.800 1.599 1.599 1.599 0.001 1 0 "[ ]" 2
2 1 1 G H21 1 27 C N3 3.000 2.900 3.100 2.896 2.896 2.896 0.004 1 0 "[ ]" 2
3 1 1 G H21 1 27 C O2 2.000 . 2.100 1.943 1.943 1.943 . 0 0 "[ ]" 2
4 1 1 G H1 1 27 C N3 1.900 . 2.000 2.015 2.015 2.015 0.015 1 0 "[ ]" 2
5 1 2 G O6 1 26 C H41 1.700 . 1.800 1.813 1.813 1.813 0.013 1 0 "[ ]" 2
6 1 2 G H21 1 26 C N3 3.000 2.900 3.100 3.105 3.105 3.105 0.005 1 0 "[ ]" 2
7 1 2 G H21 1 26 C O2 2.000 . 2.100 2.098 2.098 2.098 . 0 0 "[ ]" 2
8 1 2 G H1 1 26 C N3 1.900 . 2.000 1.930 1.930 1.930 . 0 0 "[ ]" 2
9 1 3 A H2 1 25 U O2 3.200 3.100 3.300 3.216 3.216 3.216 . 0 0 "[ ]" 2
10 1 3 A N1 1 25 U H3 1.900 . 2.000 1.859 1.859 1.859 . 0 0 "[ ]" 2
11 1 3 A H61 1 25 U O4 1.800 . 1.900 1.695 1.695 1.695 0.005 1 0 "[ ]" 2
12 1 3 A H2 1 25 U H3 2.900 2.800 3.000 2.968 2.968 2.968 . 0 0 "[ ]" 2
13 1 4 A H2 1 24 U O2 3.200 3.100 3.300 3.092 3.092 3.092 0.008 1 0 "[ ]" 2
14 1 4 A N1 1 24 U H3 1.900 . 2.000 2.008 2.008 2.008 0.008 1 0 "[ ]" 2
15 1 4 A H61 1 24 U O4 1.800 . 1.900 1.904 1.904 1.904 0.004 1 0 "[ ]" 2
16 1 4 A H2 1 24 U H3 2.900 2.800 3.000 2.961 2.961 2.961 . 0 0 "[ ]" 2
17 1 5 G O6 1 23 C H41 1.700 . 1.800 1.809 1.809 1.809 0.009 1 0 "[ ]" 2
18 1 5 G H21 1 23 C N3 3.000 2.900 3.100 2.895 2.895 2.895 0.005 1 0 "[ ]" 2
19 1 5 G H21 1 23 C O2 2.000 . 2.100 2.107 2.107 2.107 0.007 1 0 "[ ]" 2
20 1 5 G H1 1 23 C N3 1.900 . 2.000 1.794 1.794 1.794 0.006 1 0 "[ ]" 2
21 1 6 U O2 1 22 G H1 1.800 . 1.900 1.916 1.916 1.916 0.016 1 0 "[ ]" 2
22 1 6 U H3 1 22 G H1 2.600 2.500 2.700 2.499 2.499 2.499 0.001 1 0 "[ ]" 2
23 1 6 U H3 1 22 G O6 1.900 . 2.000 1.841 1.841 1.841 . 0 0 "[ ]" 2
24 1 6 U O2 1 22 G O6 3.700 3.600 3.800 3.603 3.603 3.603 . 0 0 "[ ]" 2
25 1 6 U N3 1 22 G N1 3.700 3.600 3.800 3.607 3.607 3.607 . 0 0 "[ ]" 2
26 1 8 C H41 1 21 G O6 1.700 . 1.800 1.802 1.802 1.802 0.002 1 0 "[ ]" 2
27 1 8 C N3 1 21 G H21 3.000 2.900 3.100 3.012 3.012 3.012 . 0 0 "[ ]" 2
28 1 8 C O2 1 21 G H21 2.000 . 2.100 1.964 1.964 1.964 . 0 0 "[ ]" 2
29 1 8 C N3 1 21 G H1 1.900 . 2.000 2.023 2.023 2.023 0.023 1 0 "[ ]" 2
30 1 9 G O6 1 20 C H41 1.700 . 1.800 1.808 1.808 1.808 0.008 1 0 "[ ]" 2
31 1 9 G H21 1 20 C N3 3.000 2.900 3.100 2.905 2.905 2.905 . 0 0 "[ ]" 2
32 1 9 G H21 1 20 C O2 2.000 . 2.100 1.899 1.899 1.899 0.001 1 0 "[ ]" 2
33 1 9 G H1 1 20 C N3 1.900 . 2.000 1.881 1.881 1.881 . 0 0 "[ ]" 2
34 1 10 G O6 1 19 C H41 1.700 . 1.800 1.817 1.817 1.817 0.017 1 0 "[ ]" 2
35 1 10 G H21 1 19 C N3 3.000 2.900 3.100 2.909 2.909 2.909 . 0 0 "[ ]" 2
36 1 10 G H21 1 19 C O2 2.000 . 2.100 2.134 2.134 2.134 0.034 1 0 "[ ]" 2
37 1 10 G H1 1 19 C N3 1.900 . 2.000 1.796 1.796 1.796 0.004 1 0 "[ ]" 2
38 1 11 U O2 1 18 A H2 3.200 3.100 3.300 3.083 3.083 3.083 0.017 1 0 "[ ]" 2
39 1 11 U H3 1 18 A N1 1.900 . 2.000 2.029 2.029 2.029 0.029 1 0 "[ ]" 2
40 1 11 U O4 1 18 A H61 1.800 . 1.900 1.846 1.846 1.846 . 0 0 "[ ]" 2
41 1 11 U H3 1 18 A H2 2.900 2.800 3.000 3.021 3.021 3.021 0.021 1 0 "[ ]" 2
42 1 12 C H41 1 17 G O6 1.700 . 1.800 1.816 1.816 1.816 0.016 1 0 "[ ]" 2
43 1 12 C N3 1 17 G H21 3.000 2.900 3.100 3.139 3.139 3.139 0.039 1 0 "[ ]" 2
44 1 12 C O2 1 17 G H21 2.000 . 2.100 1.891 1.891 1.891 0.009 1 0 "[ ]" 2
45 1 12 C N3 1 17 G H1 1.900 . 2.000 1.915 1.915 1.915 . 0 0 "[ ]" 2
46 1 13 U O2 1 16 G H1 1.900 . 2.100 1.749 1.749 1.749 . 0 0 "[ ]" 2
47 1 13 U O2 1 16 G H21 2.400 2.200 2.600 2.492 2.492 2.492 . 0 0 "[ ]" 2
48 1 13 U H3 1 16 G H21 3.800 3.600 4.000 4.030 4.030 4.030 0.030 1 0 "[ ]" 2
49 1 13 U H3 1 16 G H1 4.400 4.200 4.600 4.152 4.152 4.152 0.048 1 0 "[ ]" 2
stop_
save_
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