NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
638389 |
6aau   |
27552 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6aau
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 157
_Distance_constraint_stats_list.Viol_count 841
_Distance_constraint_stats_list.Viol_total 9310.323
_Distance_constraint_stats_list.Viol_max 5.375
_Distance_constraint_stats_list.Viol_rms 0.6470
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1483
_Distance_constraint_stats_list.Viol_average_violations_only 0.5535
_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 U 2.954 0.076 11 0 "[ . 1 . 2]"
1 2 A 137.718 5.375 3 20 [**+****-************]
1 3 A 111.306 5.016 3 20 [**+****-************]
1 4 G 62.957 4.617 3 18 "[**+**** *******-***]"
1 5 U 1.433 0.070 9 0 "[ . 1 . 2]"
1 6 G 2.532 0.095 11 0 "[ . 1 . 2]"
1 7 U 17.484 2.344 9 6 "[ * . **+1* . * 2]"
1 8 A 4.661 1.187 9 2 "[ . -+1 . 2]"
1 9 C 1.473 0.078 8 0 "[ . 1 . 2]"
1 10 U 71.802 4.379 2 20 [*+*****-************]
1 11 G 1.210 0.168 2 0 "[ . 1 . 2]"
1 12 G 27.609 0.851 17 19 "[* ****-*********+***]"
1 13 MA6 28.930 0.851 17 19 "[* ****-*********+***]"
1 14 MA6 78.674 4.379 2 20 [*+****************-*]
1 15 A 7.811 0.667 13 5 "[ .* 1 *+ .* -2]"
1 16 G 112.477 4.617 3 18 "[**+**** *******-***]"
1 17 U 134.215 5.016 3 20 [**+******-**********]
1 18 G 111.066 5.375 3 20 [**+******-**********]
1 19 C 1.261 0.194 9 0 "[ . 1 . 2]"
1 20 A 0.529 0.086 8 0 "[ . 1 . 2]"
1 21 C 0.661 0.046 8 0 "[ . 1 . 2]"
1 22 U 1.421 0.039 8 0 "[ . 1 . 2]"
1 23 U 1.704 0.076 4 0 "[ . 1 . 2]"
1 24 G 3.840 0.076 11 0 "[ . 1 . 2]"
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 U H2' 1 1 U H6 . . 4.200 3.806 3.781 3.946 . 0 0 "[ . 1 . 2]" 1
2 1 1 U H1' 1 1 U H6 . . 5.000 3.670 3.634 3.677 . 0 0 "[ . 1 . 2]" 1
3 1 1 U H6 1 2 A H8 . . 5.000 4.853 4.736 4.868 . 0 0 "[ . 1 . 2]" 1
4 1 1 U H2' 1 2 A H8 . . 2.700 2.062 2.044 2.353 . 0 0 "[ . 1 . 2]" 1
5 1 1 U H3' 1 2 A H8 . . 3.300 3.293 2.717 3.326 0.026 13 0 "[ . 1 . 2]" 1
6 1 1 U H1' 1 2 A H8 . . 5.000 4.725 4.704 4.996 . 0 0 "[ . 1 . 2]" 1
7 1 2 A H2' 1 2 A H8 . . 4.000 3.960 3.932 4.022 0.022 5 0 "[ . 1 . 2]" 1
8 1 2 A H3' 1 2 A H8 . . 3.000 2.714 2.681 2.826 . 0 0 "[ . 1 . 2]" 1
9 1 2 A H1' 1 2 A H8 . . 5.000 3.811 3.786 3.817 . 0 0 "[ . 1 . 2]" 1
10 1 2 A H2 1 3 A H1' . . 5.000 3.688 3.596 3.727 . 0 0 "[ . 1 . 2]" 1
11 1 2 A H2' 1 3 A H8 . . 2.700 2.143 2.101 2.157 . 0 0 "[ . 1 . 2]" 1
12 1 2 A H3' 1 3 A H8 . . 3.300 3.309 3.307 3.316 0.016 13 0 "[ . 1 . 2]" 1
13 1 3 A H2' 1 3 A H8 . . 4.200 4.058 4.045 4.071 . 0 0 "[ . 1 . 2]" 1
14 1 3 A H1' 1 3 A H8 . . 5.000 3.781 3.776 3.786 . 0 0 "[ . 1 . 2]" 1
15 1 3 A H2 1 4 G H1' . . 5.000 3.592 3.489 3.639 . 0 0 "[ . 1 . 2]" 1
16 1 3 A H2 1 23 U H1' . . 5.000 3.469 3.440 3.518 . 0 0 "[ . 1 . 2]" 1
17 1 3 A H1' 1 4 G H8 . . 5.000 4.637 4.613 4.656 . 0 0 "[ . 1 . 2]" 1
18 1 3 A H2' 1 4 G H8 . . 2.700 2.120 2.098 2.133 . 0 0 "[ . 1 . 2]" 1
19 1 3 A H8 1 4 G H8 . . 5.000 4.847 4.812 4.888 . 0 0 "[ . 1 . 2]" 1
20 1 4 G H2' 1 4 G H8 . . 4.200 4.123 4.106 4.146 . 0 0 "[ . 1 . 2]" 1
21 1 4 G H3' 1 4 G H8 . . 3.200 3.004 2.986 3.021 . 0 0 "[ . 1 . 2]" 1
22 1 4 G H1' 1 4 G H8 . . 5.000 3.743 3.736 3.750 . 0 0 "[ . 1 . 2]" 1
23 1 4 G H8 1 5 U H6 . . 5.000 5.017 5.010 5.022 0.022 7 0 "[ . 1 . 2]" 1
24 1 4 G H8 1 5 U H5 . . 5.000 4.488 4.457 4.531 . 0 0 "[ . 1 . 2]" 1
25 1 4 G H1' 1 5 U H6 . . 5.000 4.801 4.784 4.811 . 0 0 "[ . 1 . 2]" 1
26 1 4 G H2' 1 5 U H6 . . 2.700 2.248 2.226 2.258 . 0 0 "[ . 1 . 2]" 1
27 1 4 G H3' 1 5 U H6 . . 3.300 3.316 3.314 3.319 0.019 5 0 "[ . 1 . 2]" 1
28 1 4 G H1 1 5 U H3 . . 5.000 3.491 3.461 3.557 . 0 0 "[ . 1 . 2]" 1
29 1 5 U H1' 1 5 U H6 . . 5.000 3.621 3.604 3.628 . 0 0 "[ . 1 . 2]" 1
30 1 5 U H2' 1 6 G H8 . . 2.700 2.144 2.124 2.195 . 0 0 "[ . 1 . 2]" 1
31 1 5 U H3' 1 6 G H8 . . 3.300 3.276 3.248 3.336 0.036 18 0 "[ . 1 . 2]" 1
32 1 5 U H1' 1 6 G H8 . . 5.000 4.730 4.702 4.821 . 0 0 "[ . 1 . 2]" 1
33 1 5 U H3 1 6 G H1 . . 5.000 5.029 4.977 5.070 0.070 9 0 "[ . 1 . 2]" 1
34 1 6 G H2' 1 6 G H8 . . 4.000 4.026 3.983 4.046 0.046 2 0 "[ . 1 . 2]" 1
35 1 6 G H3' 1 6 G H8 . . 3.000 2.922 2.755 3.010 0.010 8 0 "[ . 1 . 2]" 1
36 1 6 G H1' 1 6 G H8 . . 5.000 3.771 3.763 3.798 . 0 0 "[ . 1 . 2]" 1
37 1 6 G H8 1 7 U H6 . . 5.000 4.831 4.727 5.095 0.095 11 0 "[ . 1 . 2]" 1
38 1 6 G H1' 1 7 U H6 . . 5.000 4.888 4.708 5.007 0.007 9 0 "[ . 1 . 2]" 1
39 1 6 G H2' 1 7 U H6 . . 2.700 2.304 2.071 2.378 . 0 0 "[ . 1 . 2]" 1
40 1 6 G H3' 1 7 U H6 . . 3.300 3.172 2.963 3.375 0.075 7 0 "[ . 1 . 2]" 1
41 1 6 G H1' 1 20 A H2 . . 5.000 3.499 3.410 3.759 . 0 0 "[ . 1 . 2]" 1
42 1 6 G H1 1 7 U H3 . . 5.000 3.500 3.309 3.559 . 0 0 "[ . 1 . 2]" 1
43 1 7 U H2' 1 7 U H6 . . 4.000 3.891 3.794 3.936 . 0 0 "[ . 1 . 2]" 1
44 1 7 U H3' 1 7 U H6 . . 3.000 2.631 2.513 2.718 . 0 0 "[ . 1 . 2]" 1
45 1 7 U H1' 1 7 U H6 . . 5.000 3.650 3.638 3.676 . 0 0 "[ . 1 . 2]" 1
46 1 7 U H6 1 8 A H8 . . 5.000 4.871 4.489 5.011 0.011 9 0 "[ . 1 . 2]" 1
47 1 7 U H2' 1 8 A H8 . . 2.700 2.173 2.041 2.618 . 0 0 "[ . 1 . 2]" 1
48 1 7 U H3' 1 8 A H8 . . 3.300 3.328 3.225 3.418 0.118 9 0 "[ . 1 . 2]" 1
49 1 7 U H1' 1 8 A H8 . . 5.000 4.752 4.659 5.001 0.001 7 0 "[ . 1 . 2]" 1
50 1 8 A H2' 1 8 A H8 . . 4.000 3.995 3.751 4.047 0.047 18 0 "[ . 1 . 2]" 1
51 1 8 A H3' 1 8 A H8 . . 3.000 2.819 2.494 2.970 . 0 0 "[ . 1 . 2]" 1
52 1 8 A H1' 1 8 A H8 . . 5.000 3.796 3.764 3.875 . 0 0 "[ . 1 . 2]" 1
53 1 8 A H8 1 9 C H6 . . 5.000 4.903 4.504 5.011 0.011 7 0 "[ . 1 . 2]" 1
54 1 8 A H8 1 9 C H5 . . 5.000 4.334 3.554 4.479 . 0 0 "[ . 1 . 2]" 1
55 1 8 A H2' 1 9 C H6 . . 2.700 2.172 2.133 2.187 . 0 0 "[ . 1 . 2]" 1
56 1 8 A H3' 1 9 C H6 . . 3.300 3.322 3.248 3.351 0.051 2 0 "[ . 1 . 2]" 1
57 1 8 A H1' 1 9 C H6 . . 5.000 4.767 4.720 4.801 . 0 0 "[ . 1 . 2]" 1
58 1 8 A H2 1 9 C H1' . . 5.000 3.650 3.377 5.078 0.078 8 0 "[ . 1 . 2]" 1
59 1 8 A H2 1 18 G H1' . . 5.000 3.928 3.045 6.187 1.187 9 2 "[ . -+1 . 2]" 1
60 1 9 C H2' 1 9 C H6 . . 4.000 3.948 3.909 3.973 . 0 0 "[ . 1 . 2]" 1
61 1 9 C H3' 1 9 C H6 . . 3.000 2.774 2.725 2.806 . 0 0 "[ . 1 . 2]" 1
62 1 9 C H1' 1 9 C H6 . . 5.000 3.624 3.616 3.635 . 0 0 "[ . 1 . 2]" 1
63 1 9 C H3' 1 10 U H6 . . 3.300 3.322 3.305 3.355 0.055 8 0 "[ . 1 . 2]" 1
64 1 10 U H6 1 11 G H8 . . 5.000 4.935 4.750 5.151 0.151 13 0 "[ . 1 . 2]" 1
65 1 10 U H1' 1 11 G H8 . . 5.000 4.968 4.880 5.047 0.047 10 0 "[ . 1 . 2]" 1
66 1 10 U H3 1 14 MA6 H8 . . 5.000 8.538 8.104 9.379 4.379 2 20 [*+*****-************] 1
67 1 11 G H2' 1 11 G H8 . . 4.000 3.859 3.728 3.920 . 0 0 "[ . 1 . 2]" 1
68 1 11 G H1' 1 11 G H8 . . 5.000 3.816 3.796 3.858 . 0 0 "[ . 1 . 2]" 1
69 1 11 G H1 1 14 MA6 H8 . . 5.000 4.955 4.820 5.168 0.168 2 0 "[ . 1 . 2]" 1
70 1 12 G H2' 1 12 G H8 . . 4.200 4.103 3.906 4.199 . 0 0 "[ . 1 . 2]" 1
71 1 12 G H1' 1 12 G H8 . . 5.000 3.741 3.711 3.808 . 0 0 "[ . 1 . 2]" 1
72 1 12 G H8 1 13 MA6 H8 . . 5.000 4.776 3.975 4.990 . 0 0 "[ . 1 . 2]" 1
73 1 12 G H1' 1 13 MA6 H8 . . 5.000 5.739 5.435 5.851 0.851 17 19 "[* **********-***+***]" 1
74 1 12 G H2' 1 13 MA6 H8 . . 2.700 3.341 3.061 3.525 0.825 10 19 "[* ****-**+**********]" 1
75 1 13 MA6 H2' 1 13 MA6 H8 . . 4.000 3.995 3.795 4.193 0.193 10 0 "[ . 1 . 2]" 1
76 1 13 MA6 H1' 1 13 MA6 H8 . . 5.000 3.794 3.728 3.847 . 0 0 "[ . 1 . 2]" 1
77 1 14 MA6 H1' 1 14 MA6 H8 . . 5.000 3.765 3.710 3.846 . 0 0 "[ . 1 . 2]" 1
78 1 14 MA6 H8 1 15 A H8 . . 5.000 5.365 5.101 5.667 0.667 13 5 "[ .* 1 *+ .* -2]" 1
79 1 15 A H1' 1 15 A H8 . . 5.000 3.752 3.740 3.783 . 0 0 "[ . 1 . 2]" 1
80 1 15 A H2 1 16 G H1' . . 5.000 3.769 3.559 4.081 . 0 0 "[ . 1 . 2]" 1
81 1 15 A H8 1 16 G H8 . . 5.000 5.025 4.992 5.044 0.044 13 0 "[ . 1 . 2]" 1
82 1 16 G H2' 1 16 G H8 . . 4.000 4.077 4.039 4.104 0.104 18 0 "[ . 1 . 2]" 1
83 1 16 G H3' 1 16 G H8 . . 3.000 2.988 2.932 3.021 0.021 11 0 "[ . 1 . 2]" 1
84 1 16 G H1' 1 16 G H8 . . 5.000 3.749 3.732 3.766 . 0 0 "[ . 1 . 2]" 1
85 1 16 G H8 1 17 U H6 . . 5.000 5.010 4.999 5.028 0.028 9 0 "[ . 1 . 2]" 1
86 1 16 G H8 1 17 U H5 . . 5.000 4.483 4.403 4.550 . 0 0 "[ . 1 . 2]" 1
87 1 16 G H2' 1 17 U H6 . . 2.700 2.242 2.172 2.433 . 0 0 "[ . 1 . 2]" 1
88 1 16 G H3' 1 17 U H6 . . 3.300 3.320 3.308 3.341 0.041 7 0 "[ . 1 . 2]" 1
89 1 16 G H1' 1 17 U H6 . . 5.000 4.822 4.761 5.042 0.042 8 0 "[ . 1 . 2]" 1
90 1 16 G H1 1 17 U H3 . . 5.000 3.412 3.290 3.479 . 0 0 "[ . 1 . 2]" 1
91 1 17 U H2' 1 17 U H6 . . 4.000 3.929 3.722 3.975 . 0 0 "[ . 1 . 2]" 1
92 1 17 U H1' 1 17 U H6 . . 5.000 3.630 3.620 3.688 . 0 0 "[ . 1 . 2]" 1
93 1 17 U H1' 1 18 G H8 . . 5.000 4.803 4.666 5.066 0.066 9 0 "[ . 1 . 2]" 1
94 1 17 U H2' 1 18 G H8 . . 2.700 2.266 2.151 2.643 . 0 0 "[ . 1 . 2]" 1
95 1 17 U H3 1 18 G H1 . . 5.000 5.532 4.615 6.060 1.060 9 16 "[** *** *+- ****** **]" 1
96 1 18 G H2' 1 18 G H8 . . 4.000 3.930 2.983 4.064 0.064 2 0 "[ . 1 . 2]" 1
97 1 18 G H1' 1 18 G H8 . . 5.000 3.776 3.747 3.900 . 0 0 "[ . 1 . 2]" 1
98 1 18 G H2' 1 19 C H6 . . 2.700 2.356 2.215 2.491 . 0 0 "[ . 1 . 2]" 1
99 1 18 G H1' 1 19 C H6 . . 5.000 4.934 4.750 5.194 0.194 9 0 "[ . 1 . 2]" 1
100 1 19 C H2' 1 19 C H6 . . 4.000 3.872 3.769 4.101 0.101 8 0 "[ . 1 . 2]" 1
101 1 19 C H1' 1 19 C H6 . . 5.000 3.643 3.551 3.675 . 0 0 "[ . 1 . 2]" 1
102 1 19 C H6 1 20 A H8 . . 5.000 4.765 4.623 5.080 0.080 8 0 "[ . 1 . 2]" 1
103 1 19 C H2' 1 20 A H8 . . 2.700 2.115 2.113 2.124 . 0 0 "[ . 1 . 2]" 1
104 1 19 C H1' 1 20 A H8 . . 5.000 4.750 4.735 4.766 . 0 0 "[ . 1 . 2]" 1
105 1 20 A H2' 1 20 A H8 . . 4.000 4.012 3.988 4.086 0.086 8 0 "[ . 1 . 2]" 1
106 1 20 A H1' 1 20 A H8 . . 5.000 3.790 3.756 3.799 . 0 0 "[ . 1 . 2]" 1
107 1 20 A H2 1 21 C H1' . . 5.000 3.558 3.338 3.623 . 0 0 "[ . 1 . 2]" 1
108 1 20 A H8 1 21 C H6 . . 5.000 4.960 4.910 5.046 0.046 8 0 "[ . 1 . 2]" 1
109 1 20 A H8 1 21 C H5 . . 5.000 4.408 4.354 4.539 . 0 0 "[ . 1 . 2]" 1
110 1 20 A H1' 1 21 C H6 . . 5.000 4.807 4.770 4.820 . 0 0 "[ . 1 . 2]" 1
111 1 20 A H2' 1 21 C H6 . . 2.700 2.224 2.178 2.249 . 0 0 "[ . 1 . 2]" 1
112 1 21 C H2' 1 21 C H6 . . 4.000 3.906 3.891 3.945 . 0 0 "[ . 1 . 2]" 1
113 1 21 C H3' 1 21 C H6 . . 3.000 2.711 2.689 2.767 . 0 0 "[ . 1 . 2]" 1
114 1 21 C H1' 1 21 C H6 . . 5.000 3.634 3.623 3.637 . 0 0 "[ . 1 . 2]" 1
115 1 21 C H6 1 22 U H5 . . 5.000 4.432 4.404 4.490 . 0 0 "[ . 1 . 2]" 1
116 1 21 C H6 1 22 U H6 . . 5.000 5.015 5.005 5.039 0.039 8 0 "[ . 1 . 2]" 1
117 1 21 C H2' 1 22 U H6 . . 2.700 2.178 2.157 2.189 . 0 0 "[ . 1 . 2]" 1
118 1 21 C H1' 1 22 U H6 . . 5.000 4.797 4.778 4.807 . 0 0 "[ . 1 . 2]" 1
119 1 22 U H2' 1 22 U H6 . . 4.200 3.882 3.859 3.911 . 0 0 "[ . 1 . 2]" 1
120 1 22 U H3' 1 22 U H6 . . 3.200 2.665 2.635 2.709 . 0 0 "[ . 1 . 2]" 1
121 1 22 U H6 1 23 U H5 . . 5.000 4.417 4.366 4.475 . 0 0 "[ . 1 . 2]" 1
122 1 22 U H6 1 23 U H6 . . 5.000 4.891 4.850 4.950 . 0 0 "[ . 1 . 2]" 1
123 1 22 U H2' 1 23 U H6 . . 2.700 2.159 2.117 2.168 . 0 0 "[ . 1 . 2]" 1
124 1 22 U H3' 1 23 U H6 . . 3.300 3.319 3.315 3.329 0.029 6 0 "[ . 1 . 2]" 1
125 1 23 U H2' 1 23 U H6 . . 4.000 3.932 3.912 3.939 . 0 0 "[ . 1 . 2]" 1
126 1 23 U H3' 1 23 U H6 . . 3.000 2.674 2.655 2.682 . 0 0 "[ . 1 . 2]" 1
127 1 23 U H1' 1 23 U H6 . . 5.000 3.639 3.637 3.644 . 0 0 "[ . 1 . 2]" 1
128 1 23 U H6 1 24 G H8 . . 5.000 4.850 4.650 4.872 . 0 0 "[ . 1 . 2]" 1
129 1 23 U H2' 1 24 G H8 . . 2.700 2.116 2.078 2.215 . 0 0 "[ . 1 . 2]" 1
130 1 23 U H3' 1 24 G H8 . . 3.300 3.366 3.329 3.376 0.076 4 0 "[ . 1 . 2]" 1
131 1 24 G H2' 1 24 G H8 . . 4.200 4.102 4.094 4.120 . 0 0 "[ . 1 . 2]" 1
132 1 24 G H3' 1 24 G H8 . . 3.200 3.116 3.097 3.149 . 0 0 "[ . 1 . 2]" 1
133 1 1 U C6 1 24 G C8 . . 9.800 9.863 9.665 9.876 0.076 11 0 "[ . 1 . 2]" 1
134 1 1 U C5 1 24 G N9 . . 9.500 9.543 9.234 9.562 0.062 9 0 "[ . 1 . 2]" 1
135 1 2 A C4 1 23 U C6 . . 8.300 8.273 8.265 8.276 . 0 0 "[ . 1 . 2]" 1
136 1 2 A N9 1 23 U H6 . . 10.750 10.721 10.711 10.726 . 0 0 "[ . 1 . 2]" 1
137 1 3 A C4 1 22 U C6 . . 8.300 8.319 8.312 8.322 0.022 11 0 "[ . 1 . 2]" 1
138 1 3 A N9 1 22 U H6 . . 10.750 10.768 10.762 10.771 0.021 6 0 "[ . 1 . 2]" 1
139 1 4 G C4 1 21 C C6 . . 8.300 8.313 8.310 8.319 0.019 11 0 "[ . 1 . 2]" 1
140 1 4 G N9 1 21 C H6 . . 10.750 10.749 10.745 10.756 0.006 11 0 "[ . 1 . 2]" 1
141 1 5 U C6 1 20 A C4 . . 8.300 8.287 8.262 8.295 . 0 0 "[ . 1 . 2]" 1
142 1 5 U H6 1 20 A N9 . . 10.750 10.736 10.710 10.744 . 0 0 "[ . 1 . 2]" 1
143 1 6 G C4 1 19 C C6 . . 8.300 8.318 8.305 8.375 0.075 9 0 "[ . 1 . 2]" 1
144 1 6 G N9 1 19 C H6 . . 10.750 10.756 10.741 10.821 0.071 8 0 "[ . 1 . 2]" 1
145 1 7 U C6 1 18 G C8 . . 9.800 10.282 9.869 11.283 1.483 3 6 "[ + . **-1* . * 2]" 1
146 1 7 U C5 1 18 G N9 . . 9.500 9.803 9.409 11.844 2.344 9 2 "[ . -+1 . 2]" 1
147 1 8 A C4 1 17 U C6 . . 8.300 8.268 8.131 8.346 0.046 7 0 "[ . 1 . 2]" 1
148 1 8 A N9 1 17 U H6 . . 10.750 10.716 10.550 10.800 0.050 7 0 "[ . 1 . 2]" 1
149 1 9 C C6 1 16 G C4 . . 8.300 8.308 8.279 8.341 0.041 2 0 "[ . 1 . 2]" 1
150 1 9 C H6 1 16 G N9 . . 10.750 10.743 10.706 10.784 0.034 2 0 "[ . 1 . 2]" 1
151 1 10 U C6 1 15 A C4 . . 8.300 8.244 8.144 8.298 . 0 0 "[ . 1 . 2]" 1
152 1 10 U H6 1 15 A N9 . . 10.750 10.694 10.575 10.750 . 0 0 "[ . 1 . 2]" 1
153 1 2 A P 1 18 G P . . 9.400 13.361 12.691 14.775 5.375 3 20 [**+*****-***********] 1
154 1 2 A P 1 17 U P . . 9.000 11.892 10.275 13.525 4.525 11 20 [*******-**+*********] 1
155 1 3 A P 1 17 U P . . 9.400 12.555 10.572 14.416 5.016 3 20 [**+****-************] 1
156 1 3 A P 1 16 G P . . 9.000 11.329 8.614 12.809 3.809 3 18 "[**+**** *******-***]" 1
157 1 4 G P 1 16 G P . . 9.400 12.491 9.230 14.017 4.617 3 18 "[**+**** *******-***]" 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 45
_Distance_constraint_stats_list.Viol_count 661
_Distance_constraint_stats_list.Viol_total 2377.918
_Distance_constraint_stats_list.Viol_max 5.158
_Distance_constraint_stats_list.Viol_rms 0.6122
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1321
_Distance_constraint_stats_list.Viol_average_violations_only 0.1799
_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 U 3.062 0.115 5 0 "[ . 1 . 2]"
1 2 A 4.046 0.103 8 0 "[ . 1 . 2]"
1 3 A 4.065 0.121 11 0 "[ . 1 . 2]"
1 4 G 4.643 0.118 11 0 "[ . 1 . 2]"
1 5 U 4.127 0.116 9 0 "[ . 1 . 2]"
1 6 G 5.120 0.142 8 0 "[ . 1 . 2]"
1 7 U 79.967 5.158 9 6 "[ * . -*+1* . * 2]"
1 8 A 4.731 0.248 9 0 "[ . 1 . 2]"
1 9 C 4.589 0.125 2 0 "[ . 1 . 2]"
1 10 U 4.547 0.190 10 0 "[ . 1 . 2]"
1 15 A 4.547 0.190 10 0 "[ . 1 . 2]"
1 16 G 4.589 0.125 2 0 "[ . 1 . 2]"
1 17 U 4.731 0.248 9 0 "[ . 1 . 2]"
1 18 G 79.967 5.158 9 6 "[ * . -*+1* . * 2]"
1 19 C 5.120 0.142 8 0 "[ . 1 . 2]"
1 20 A 4.127 0.116 9 0 "[ . 1 . 2]"
1 21 C 4.643 0.118 11 0 "[ . 1 . 2]"
1 22 U 4.065 0.121 11 0 "[ . 1 . 2]"
1 23 U 4.046 0.103 8 0 "[ . 1 . 2]"
1 24 G 3.062 0.115 5 0 "[ . 1 . 2]"
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 U H3 1 24 G O6 . . 1.800 1.911 1.908 1.915 0.115 5 0 "[ . 1 . 2]" 2
2 1 1 U N3 1 24 G O6 . . 2.900 2.906 2.901 2.915 0.015 5 0 "[ . 1 . 2]" 2
3 1 1 U O2 1 24 G H1 . . 1.800 1.836 1.832 1.874 0.074 5 0 "[ . 1 . 2]" 2
4 1 1 U O2 1 24 G N1 . . 2.900 2.841 2.836 2.874 . 0 0 "[ . 1 . 2]" 2
5 1 2 A N1 1 23 U H3 . . 1.800 1.898 1.896 1.902 0.102 5 0 "[ . 1 . 2]" 2
6 1 2 A N1 1 23 U N3 . . 2.900 2.900 2.897 2.903 0.003 19 0 "[ . 1 . 2]" 2
7 1 2 A H61 1 23 U O4 . . 1.800 1.901 1.894 1.903 0.103 8 0 "[ . 1 . 2]" 2
8 1 2 A N6 1 23 U O4 . . 2.900 2.903 2.895 2.906 0.006 8 0 "[ . 1 . 2]" 2
9 1 3 A N1 1 22 U H3 . . 1.800 1.916 1.911 1.921 0.121 11 0 "[ . 1 . 2]" 2
10 1 3 A N1 1 22 U N3 . . 2.900 2.924 2.921 2.927 0.027 11 0 "[ . 1 . 2]" 2
11 1 3 A H61 1 22 U O4 . . 1.800 1.863 1.859 1.873 0.073 8 0 "[ . 1 . 2]" 2
12 1 3 A N6 1 22 U O4 . . 2.900 2.869 2.864 2.880 . 0 0 "[ . 1 . 2]" 2
13 1 4 G H1 1 21 C N3 . . 1.800 1.912 1.910 1.918 0.118 11 0 "[ . 1 . 2]" 2
14 1 4 G N1 1 21 C N3 . . 2.900 2.912 2.910 2.916 0.016 11 0 "[ . 1 . 2]" 2
15 1 4 G H21 1 21 C O2 . . 1.800 1.827 1.817 1.833 0.033 13 0 "[ . 1 . 2]" 2
16 1 4 G N2 1 21 C O2 . . 2.900 2.836 2.825 2.843 . 0 0 "[ . 1 . 2]" 2
17 1 4 G O6 1 21 C H41 . . 1.800 1.881 1.874 1.886 0.086 9 0 "[ . 1 . 2]" 2
18 1 4 G O6 1 21 C N4 . . 2.900 2.884 2.879 2.888 . 0 0 "[ . 1 . 2]" 2
19 1 5 U H3 1 20 A N1 . . 1.800 1.893 1.872 1.899 0.099 3 0 "[ . 1 . 2]" 2
20 1 5 U N3 1 20 A N1 . . 2.900 2.902 2.880 2.908 0.008 3 0 "[ . 1 . 2]" 2
21 1 5 U O4 1 20 A H61 . . 1.800 1.902 1.896 1.916 0.116 9 0 "[ . 1 . 2]" 2
22 1 5 U O4 1 20 A N6 . . 2.900 2.906 2.898 2.914 0.014 9 0 "[ . 1 . 2]" 2
23 1 6 G H1 1 19 C N3 . . 1.800 1.917 1.912 1.942 0.142 8 0 "[ . 1 . 2]" 2
24 1 6 G N1 1 19 C N3 . . 2.900 2.916 2.910 2.951 0.051 8 0 "[ . 1 . 2]" 2
25 1 6 G H21 1 19 C O2 . . 1.800 1.837 1.823 1.861 0.061 9 0 "[ . 1 . 2]" 2
26 1 6 G N2 1 19 C O2 . . 2.900 2.849 2.839 2.879 . 0 0 "[ . 1 . 2]" 2
27 1 6 G O6 1 19 C H41 . . 1.800 1.885 1.855 1.893 0.093 19 0 "[ . 1 . 2]" 2
28 1 6 G O6 1 19 C N4 . . 2.900 2.890 2.868 2.896 . 0 0 "[ . 1 . 2]" 2
29 1 7 U H3 1 18 G O6 . . 1.800 3.268 1.870 6.549 4.749 3 6 "[ + . -**1* . * 2]" 2
30 1 7 U N3 1 18 G O6 . . 2.900 4.118 2.862 7.225 4.325 9 6 "[ * . -*+1* . * 2]" 2
31 1 7 U O2 1 18 G N1 . . 2.900 4.138 2.818 8.058 5.158 9 6 "[ * . -*+1* . * 2]" 2
32 1 8 A N1 1 17 U H3 . . 1.800 1.911 1.879 2.048 0.248 9 0 "[ . 1 . 2]" 2
33 1 8 A N1 1 17 U N3 . . 2.900 2.907 2.886 2.954 0.054 18 0 "[ . 1 . 2]" 2
34 1 8 A H61 1 17 U O4 . . 1.800 1.899 1.852 1.916 0.116 6 0 "[ . 1 . 2]" 2
35 1 8 A N6 1 17 U O4 . . 2.900 2.906 2.863 2.921 0.021 6 0 "[ . 1 . 2]" 2
36 1 9 C N3 1 16 G H1 . . 1.800 1.915 1.906 1.925 0.125 2 0 "[ . 1 . 2]" 2
37 1 9 C N3 1 16 G N1 . . 2.900 2.912 2.901 2.929 0.029 2 0 "[ . 1 . 2]" 2
38 1 9 C O2 1 16 G H21 . . 1.800 1.814 1.799 1.819 0.019 6 0 "[ . 1 . 2]" 2
39 1 9 C O2 1 16 G N2 . . 2.900 2.820 2.794 2.831 . 0 0 "[ . 1 . 2]" 2
40 1 9 C H41 1 16 G O6 . . 1.800 1.888 1.878 1.914 0.114 8 0 "[ . 1 . 2]" 2
41 1 9 C N4 1 16 G O6 . . 2.900 2.890 2.885 2.896 . 0 0 "[ . 1 . 2]" 2
42 1 10 U H3 1 15 A N1 . . 1.800 1.866 1.828 1.896 0.096 8 0 "[ . 1 . 2]" 2
43 1 10 U N3 1 15 A N1 . . 2.900 2.872 2.830 2.905 0.005 8 0 "[ . 1 . 2]" 2
44 1 10 U O4 1 15 A H61 . . 1.800 1.932 1.914 1.990 0.190 10 0 "[ . 1 . 2]" 2
45 1 10 U O4 1 15 A N6 . . 2.900 2.929 2.909 2.969 0.069 10 0 "[ . 1 . 2]" 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 72
_Distance_constraint_stats_list.Viol_count 960
_Distance_constraint_stats_list.Viol_total 2288.282
_Distance_constraint_stats_list.Viol_max 0.159
_Distance_constraint_stats_list.Viol_rms 0.0602
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0795
_Distance_constraint_stats_list.Viol_average_violations_only 0.1192
_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 U 5.065 0.151 5 0 "[ . 1 . 2]"
1 2 A 4.843 0.142 10 0 "[ . 1 . 2]"
1 3 A 4.840 0.143 11 0 "[ . 1 . 2]"
1 4 G 4.781 0.144 7 0 "[ . 1 . 2]"
1 5 U 4.816 0.152 13 0 "[ . 1 . 2]"
1 6 G 4.661 0.147 11 0 "[ . 1 . 2]"
1 7 U 4.960 0.150 16 0 "[ . 1 . 2]"
1 8 A 4.784 0.151 7 0 "[ . 1 . 2]"
1 9 C 4.853 0.147 4 0 "[ . 1 . 2]"
1 10 U 4.741 0.146 4 0 "[ . 1 . 2]"
1 11 G 4.652 0.149 2 0 "[ . 1 . 2]"
1 12 G 4.539 0.141 5 0 "[ . 1 . 2]"
1 13 MA6 4.713 0.152 10 0 "[ . 1 . 2]"
1 14 MA6 4.612 0.153 9 0 "[ . 1 . 2]"
1 15 A 4.705 0.158 15 0 "[ . 1 . 2]"
1 16 G 4.577 0.143 18 0 "[ . 1 . 2]"
1 17 U 4.773 0.154 8 0 "[ . 1 . 2]"
1 18 G 4.705 0.146 12 0 "[ . 1 . 2]"
1 19 C 4.831 0.159 8 0 "[ . 1 . 2]"
1 20 A 4.671 0.142 11 0 "[ . 1 . 2]"
1 21 C 4.831 0.152 9 0 "[ . 1 . 2]"
1 22 U 4.841 0.148 18 0 "[ . 1 . 2]"
1 23 U 4.997 0.144 1 0 "[ . 1 . 2]"
1 24 G 4.621 0.146 5 0 "[ . 1 . 2]"
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 U C4' 1 1 U O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
2 1 1 U C5' 1 1 U O4' . . 2.320 2.470 2.469 2.471 0.151 5 0 "[ . 1 . 2]" 3
3 1 1 U C3' 1 1 U C5' . . 2.480 2.583 2.582 2.599 0.119 5 0 "[ . 1 . 2]" 3
4 1 2 A C4' 1 2 A O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
5 1 2 A C5' 1 2 A O4' . . 2.320 2.461 2.460 2.462 0.142 10 0 "[ . 1 . 2]" 3
6 1 2 A C3' 1 2 A C5' . . 2.480 2.581 2.578 2.588 0.108 5 0 "[ . 1 . 2]" 3
7 1 3 A C4' 1 3 A O4' . . 1.440 1.431 1.430 1.432 . 0 0 "[ . 1 . 2]" 3
8 1 3 A C5' 1 3 A O4' . . 2.320 2.462 2.461 2.463 0.143 11 0 "[ . 1 . 2]" 3
9 1 3 A C3' 1 3 A C5' . . 2.480 2.580 2.577 2.581 0.101 13 0 "[ . 1 . 2]" 3
10 1 4 G C4' 1 4 G O4' . . 1.440 1.430 1.429 1.432 . 0 0 "[ . 1 . 2]" 3
11 1 4 G C5' 1 4 G O4' . . 2.320 2.463 2.462 2.464 0.144 7 0 "[ . 1 . 2]" 3
12 1 4 G C3' 1 4 G C5' . . 2.480 2.576 2.575 2.579 0.099 9 0 "[ . 1 . 2]" 3
13 1 5 U C4' 1 5 U O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
14 1 5 U C5' 1 5 U O4' . . 2.320 2.471 2.469 2.472 0.152 13 0 "[ . 1 . 2]" 3
15 1 5 U C3' 1 5 U C5' . . 2.480 2.570 2.569 2.572 0.092 9 0 "[ . 1 . 2]" 3
16 1 6 G C4' 1 6 G O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
17 1 6 G C5' 1 6 G O4' . . 2.320 2.462 2.460 2.467 0.147 11 0 "[ . 1 . 2]" 3
18 1 6 G C3' 1 6 G C5' . . 2.480 2.571 2.565 2.574 0.094 11 0 "[ . 1 . 2]" 3
19 1 7 U C4' 1 7 U O4' . . 1.440 1.430 1.429 1.432 . 0 0 "[ . 1 . 2]" 3
20 1 7 U C5' 1 7 U O4' . . 2.320 2.466 2.459 2.470 0.150 16 0 "[ . 1 . 2]" 3
21 1 7 U C3' 1 7 U C5' . . 2.480 2.582 2.580 2.593 0.113 9 0 "[ . 1 . 2]" 3
22 1 8 A C4' 1 8 A O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
23 1 8 A C5' 1 8 A O4' . . 2.320 2.463 2.459 2.471 0.151 7 0 "[ . 1 . 2]" 3
24 1 8 A C3' 1 8 A C5' . . 2.480 2.577 2.569 2.580 0.100 16 0 "[ . 1 . 2]" 3
25 1 9 C C4' 1 9 C O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
26 1 9 C C5' 1 9 C O4' . . 2.320 2.464 2.461 2.467 0.147 4 0 "[ . 1 . 2]" 3
27 1 9 C C3' 1 9 C C5' . . 2.480 2.578 2.570 2.590 0.110 9 0 "[ . 1 . 2]" 3
28 1 10 U C4' 1 10 U O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
29 1 10 U C5' 1 10 U O4' . . 2.320 2.463 2.460 2.466 0.146 4 0 "[ . 1 . 2]" 3
30 1 10 U C3' 1 10 U C5' . . 2.480 2.574 2.570 2.583 0.103 2 0 "[ . 1 . 2]" 3
31 1 11 G C4' 1 11 G O4' . . 1.440 1.429 1.428 1.430 . 0 0 "[ . 1 . 2]" 3
32 1 11 G C5' 1 11 G O4' . . 2.320 2.463 2.460 2.469 0.149 2 0 "[ . 1 . 2]" 3
33 1 11 G C3' 1 11 G C5' . . 2.480 2.569 2.560 2.578 0.098 13 0 "[ . 1 . 2]" 3
34 1 12 G C4' 1 12 G O4' . . 1.440 1.430 1.427 1.432 . 0 0 "[ . 1 . 2]" 3
35 1 12 G C5' 1 12 G O4' . . 2.320 2.459 2.455 2.461 0.141 5 0 "[ . 1 . 2]" 3
36 1 12 G C3' 1 12 G C5' . . 2.480 2.568 2.561 2.587 0.107 10 0 "[ . 1 . 2]" 3
37 1 13 MA6 C4' 1 13 MA6 O4' . . 1.440 1.428 1.427 1.430 . 0 0 "[ . 1 . 2]" 3
38 1 13 MA6 C5' 1 13 MA6 O4' . . 2.320 2.460 2.457 2.472 0.152 10 0 "[ . 1 . 2]" 3
39 1 13 MA6 C3' 1 13 MA6 C5' . . 2.480 2.576 2.558 2.597 0.117 2 0 "[ . 1 . 2]" 3
40 1 14 MA6 C4' 1 14 MA6 O4' . . 1.440 1.430 1.428 1.431 . 0 0 "[ . 1 . 2]" 3
41 1 14 MA6 C5' 1 14 MA6 O4' . . 2.320 2.469 2.462 2.473 0.153 9 0 "[ . 1 . 2]" 3
42 1 14 MA6 C3' 1 14 MA6 C5' . . 2.480 2.561 2.559 2.570 0.090 2 0 "[ . 1 . 2]" 3
43 1 15 A C4' 1 15 A O4' . . 1.440 1.430 1.428 1.432 . 0 0 "[ . 1 . 2]" 3
44 1 15 A C5' 1 15 A O4' . . 2.320 2.474 2.457 2.478 0.158 15 0 "[ . 1 . 2]" 3
45 1 15 A C3' 1 15 A C5' . . 2.480 2.561 2.558 2.607 0.127 2 0 "[ . 1 . 2]" 3
46 1 16 G C4' 1 16 G O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
47 1 16 G C5' 1 16 G O4' . . 2.320 2.461 2.459 2.463 0.143 18 0 "[ . 1 . 2]" 3
48 1 16 G C3' 1 16 G C5' . . 2.480 2.568 2.564 2.573 0.093 10 0 "[ . 1 . 2]" 3
49 1 17 U C4' 1 17 U O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
50 1 17 U C5' 1 17 U O4' . . 2.320 2.466 2.464 2.474 0.154 8 0 "[ . 1 . 2]" 3
51 1 17 U C3' 1 17 U C5' . . 2.480 2.573 2.561 2.579 0.099 10 0 "[ . 1 . 2]" 3
52 1 18 G C4' 1 18 G O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
53 1 18 G C5' 1 18 G O4' . . 2.320 2.464 2.459 2.466 0.146 12 0 "[ . 1 . 2]" 3
54 1 18 G C3' 1 18 G C5' . . 2.480 2.572 2.563 2.574 0.094 5 0 "[ . 1 . 2]" 3
55 1 19 C C4' 1 19 C O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
56 1 19 C C5' 1 19 C O4' . . 2.320 2.468 2.462 2.479 0.159 8 0 "[ . 1 . 2]" 3
57 1 19 C C3' 1 19 C C5' . . 2.480 2.573 2.555 2.582 0.102 7 0 "[ . 1 . 2]" 3
58 1 20 A C4' 1 20 A O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
59 1 20 A C5' 1 20 A O4' . . 2.320 2.461 2.460 2.462 0.142 11 0 "[ . 1 . 2]" 3
60 1 20 A C3' 1 20 A C5' . . 2.480 2.573 2.560 2.578 0.098 3 0 "[ . 1 . 2]" 3
61 1 21 C C4' 1 21 C O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
62 1 21 C C5' 1 21 C O4' . . 2.320 2.470 2.468 2.472 0.152 9 0 "[ . 1 . 2]" 3
63 1 21 C C3' 1 21 C C5' . . 2.480 2.572 2.569 2.574 0.094 18 0 "[ . 1 . 2]" 3
64 1 22 U C4' 1 22 U O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
65 1 22 U C5' 1 22 U O4' . . 2.320 2.467 2.465 2.468 0.148 18 0 "[ . 1 . 2]" 3
66 1 22 U C3' 1 22 U C5' . . 2.480 2.575 2.574 2.576 0.096 3 0 "[ . 1 . 2]" 3
67 1 23 U C4' 1 23 U O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
68 1 23 U C5' 1 23 U O4' . . 2.320 2.463 2.461 2.464 0.144 1 0 "[ . 1 . 2]" 3
69 1 23 U C3' 1 23 U C5' . . 2.480 2.587 2.585 2.588 0.108 12 0 "[ . 1 . 2]" 3
70 1 24 G C4' 1 24 G O4' . . 1.440 1.429 1.428 1.430 . 0 0 "[ . 1 . 2]" 3
71 1 24 G C5' 1 24 G O4' . . 2.320 2.461 2.460 2.466 0.146 5 0 "[ . 1 . 2]" 3
72 1 24 G C3' 1 24 G C5' . . 2.480 2.570 2.568 2.574 0.094 11 0 "[ . 1 . 2]" 3
stop_
save_
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