NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
399352 |
1u3k   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1u3k
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 307
_Distance_constraint_stats_list.Viol_count 717
_Distance_constraint_stats_list.Viol_total 127.459
_Distance_constraint_stats_list.Viol_max 0.158
_Distance_constraint_stats_list.Viol_rms 0.0132
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0178
_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 0.000 0.000 . 0 "[ . 1]"
1 2 G 0.000 0.000 . 0 "[ . 1]"
1 3 G 0.035 0.007 1 0 "[ . 1]"
1 4 U 0.040 0.009 1 0 "[ . 1]"
1 5 G 0.000 0.000 . 0 "[ . 1]"
1 6 A 0.310 0.048 1 0 "[ . 1]"
1 7 C 0.266 0.048 1 0 "[ . 1]"
1 8 U 0.093 0.017 1 0 "[ . 1]"
1 9 C 0.112 0.025 1 0 "[ . 1]"
1 10 C 0.220 0.025 1 0 "[ . 1]"
1 11 A 0.432 0.022 1 0 "[ . 1]"
1 12 G 3.829 0.158 1 0 "[ . 1]"
1 13 A 3.526 0.158 1 0 "[ . 1]"
1 14 G 3.137 0.116 1 0 "[ . 1]"
1 15 G 0.175 0.028 1 0 "[ . 1]"
1 16 U 0.040 0.008 1 0 "[ . 1]"
1 17 C 0.053 0.007 6 0 "[ . 1]"
1 18 G 0.691 0.133 1 0 "[ . 1]"
1 19 A 0.175 0.031 1 0 "[ . 1]"
1 20 G 0.564 0.054 1 0 "[ . 1]"
1 21 A 3.059 0.151 1 0 "[ . 1]"
1 22 G 1.929 0.151 1 0 "[ . 1]"
1 23 A 0.174 0.020 1 0 "[ . 1]"
1 24 C 0.286 0.026 1 0 "[ . 1]"
1 25 C 0.170 0.044 1 0 "[ . 1]"
1 26 G 0.520 0.051 5 0 "[ . 1]"
1 27 G 0.352 0.048 1 0 "[ . 1]"
1 28 A 0.086 0.014 1 0 "[ . 1]"
1 29 G 0.087 0.008 10 0 "[ . 1]"
1 30 A 0.182 0.033 1 0 "[ . 1]"
1 31 U 0.626 0.048 1 0 "[ . 1]"
1 32 A 0.423 0.040 7 0 "[ . 1]"
1 33 U 0.119 0.019 7 0 "[ . 1]"
1 34 C 0.056 0.011 1 0 "[ . 1]"
1 35 A 0.118 0.017 1 0 "[ . 1]"
1 36 C 0.257 0.021 1 0 "[ . 1]"
1 37 C 0.272 0.021 1 0 "[ . 1]"
1 38 C 0.099 0.013 1 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 H1' 1 1 G H8 3.750 2.500 5.000 3.677 3.637 3.737 . 0 0 "[ . 1]" 1
2 1 1 G H1' 1 2 G H8 4.250 3.000 5.500 4.860 4.815 4.890 . 0 0 "[ . 1]" 1
3 1 1 G H2' 1 1 G H8 3.750 2.500 5.000 4.101 3.930 4.197 . 0 0 "[ . 1]" 1
4 1 1 G H2' 1 2 G H8 2.850 . 3.700 2.327 2.283 2.393 . 0 0 "[ . 1]" 1
5 1 1 G H3' 1 1 G H8 3.750 2.500 5.000 3.045 2.847 3.170 . 0 0 "[ . 1]" 1
6 1 1 G H3' 1 2 G H8 3.750 2.500 5.000 3.251 3.173 3.302 . 0 0 "[ . 1]" 1
7 1 2 G H1' 1 2 G H8 3.750 2.500 5.000 3.729 3.690 3.776 . 0 0 "[ . 1]" 1
8 1 2 G H1' 1 3 G H8 4.250 3.000 5.500 4.890 4.785 5.037 . 0 0 "[ . 1]" 1
9 1 2 G H2' 1 2 G H8 3.750 2.500 5.000 3.957 3.782 4.062 . 0 0 "[ . 1]" 1
10 1 2 G H2' 1 3 G H8 2.850 . 3.700 2.309 2.261 2.352 . 0 0 "[ . 1]" 1
11 1 2 G H3' 1 2 G H8 3.750 2.500 5.000 2.913 2.717 3.035 . 0 0 "[ . 1]" 1
12 1 2 G H3' 1 3 G H8 4.250 3.000 5.500 3.456 3.358 3.636 . 0 0 "[ . 1]" 1
13 1 3 G H1' 1 3 G H8 3.750 2.500 5.000 3.698 3.661 3.745 . 0 0 "[ . 1]" 1
14 1 3 G H1' 1 4 U H6 4.250 3.000 5.500 5.154 5.081 5.229 . 0 0 "[ . 1]" 1
15 1 3 G H2' 1 3 G H8 4.250 3.000 5.500 4.039 3.947 4.097 . 0 0 "[ . 1]" 1
16 1 3 G H2' 1 4 U H6 3.750 2.500 5.000 2.530 2.498 2.579 0.002 7 0 "[ . 1]" 1
17 1 3 G H3' 1 3 G H8 4.250 3.000 5.500 3.087 2.993 3.205 0.007 1 0 "[ . 1]" 1
18 1 3 G H8 1 4 U H5 4.250 3.000 5.500 4.284 3.960 4.478 . 0 0 "[ . 1]" 1
19 1 4 U H1' 1 4 U H6 3.750 2.500 5.000 3.609 3.598 3.642 . 0 0 "[ . 1]" 1
20 1 4 U H1' 1 5 G H8 5.000 4.000 6.000 4.979 4.866 5.044 . 0 0 "[ . 1]" 1
21 1 4 U H2' 1 4 U H6 2.850 . 3.700 3.695 3.639 3.709 0.009 1 0 "[ . 1]" 1
22 1 5 G H1' 1 5 G H8 3.750 2.500 5.000 3.774 3.750 3.792 . 0 0 "[ . 1]" 1
23 1 5 G H1' 1 6 A H8 5.000 4.000 6.000 4.769 4.602 5.023 . 0 0 "[ . 1]" 1
24 1 6 A H1' 1 6 A H8 4.250 3.000 5.500 3.871 3.817 3.951 . 0 0 "[ . 1]" 1
25 1 6 A H1' 1 7 C H6 4.250 3.000 5.500 5.141 4.658 5.505 0.005 3 0 "[ . 1]" 1
26 1 6 A H2' 1 6 A H8 4.250 3.000 5.500 3.016 2.972 3.188 0.028 1 0 "[ . 1]" 1
27 1 6 A H2' 1 7 C H6 5.000 4.000 6.000 4.086 3.971 4.353 0.029 1 0 "[ . 1]" 1
28 1 7 C H1' 1 7 C H6 4.250 3.000 5.500 3.470 3.261 3.585 . 0 0 "[ . 1]" 1
29 1 7 C H1' 1 8 U H6 4.250 3.000 5.500 4.837 4.688 4.930 . 0 0 "[ . 1]" 1
30 1 7 C H2' 1 7 C H6 3.750 2.500 5.000 4.056 3.820 4.384 . 0 0 "[ . 1]" 1
31 1 7 C H2' 1 8 U H6 2.850 . 3.700 2.091 2.021 2.156 . 0 0 "[ . 1]" 1
32 1 7 C H3' 1 8 U H6 4.250 3.000 5.500 3.162 2.997 3.284 0.003 1 0 "[ . 1]" 1
33 1 8 U H1' 1 8 U H6 4.250 3.000 5.500 3.531 3.470 3.564 . 0 0 "[ . 1]" 1
34 1 8 U H1' 1 9 C H6 4.250 3.000 5.500 5.031 4.937 5.291 . 0 0 "[ . 1]" 1
35 1 8 U H6 1 9 C H5 4.250 3.000 5.500 3.754 3.428 4.104 . 0 0 "[ . 1]" 1
36 1 8 U H2' 1 9 C H6 3.750 2.500 5.000 2.564 2.498 2.861 0.002 8 0 "[ . 1]" 1
37 1 8 U H3' 1 8 U H6 4.250 3.000 5.500 3.007 2.991 3.102 0.009 8 0 "[ . 1]" 1
38 1 9 C H1' 1 9 C H6 3.750 2.500 5.000 3.587 3.556 3.629 . 0 0 "[ . 1]" 1
39 1 9 C H1' 1 10 C H6 4.250 3.000 5.500 5.240 5.205 5.303 . 0 0 "[ . 1]" 1
40 1 9 C H2' 1 9 C H6 4.250 3.000 5.500 3.827 3.708 3.898 . 0 0 "[ . 1]" 1
41 1 9 C H2' 1 10 C H6 3.750 2.500 5.000 2.504 2.475 2.593 0.025 1 0 "[ . 1]" 1
42 1 9 C H6 1 10 C H5 4.250 3.000 5.500 4.896 4.764 5.058 . 0 0 "[ . 1]" 1
43 1 10 C H1' 1 10 C H6 3.750 2.500 5.000 3.666 3.642 3.711 . 0 0 "[ . 1]" 1
44 1 10 C H1' 1 11 A H8 4.250 3.000 5.500 4.504 4.405 4.781 . 0 0 "[ . 1]" 1
45 1 10 C H2' 1 10 C H6 2.850 . 3.700 3.582 3.525 3.650 . 0 0 "[ . 1]" 1
46 1 10 C H2' 1 11 A H8 2.850 . 3.700 2.151 2.123 2.172 . 0 0 "[ . 1]" 1
47 1 10 C H5 1 11 A H8 4.250 3.000 5.500 5.511 5.506 5.522 0.022 1 0 "[ . 1]" 1
48 1 11 A H1' 1 11 A H8 3.750 2.500 5.000 3.641 3.549 3.759 . 0 0 "[ . 1]" 1
49 1 11 A H1' 1 12 G H8 4.250 3.000 5.500 3.143 2.981 3.533 0.019 1 0 "[ . 1]" 1
50 1 11 A H2' 1 11 A H8 3.750 2.500 5.000 4.143 4.051 4.319 . 0 0 "[ . 1]" 1
51 1 11 A H2' 1 12 G H8 3.750 2.500 5.000 2.655 2.481 2.849 0.019 5 0 "[ . 1]" 1
52 1 11 A H3' 1 11 A H8 2.850 . 3.700 3.234 2.872 3.618 . 0 0 "[ . 1]" 1
53 1 12 G H1' 1 12 G H8 3.750 2.500 5.000 3.939 3.930 3.966 . 0 0 "[ . 1]" 1
54 1 12 G H1' 1 13 A H8 4.250 3.000 5.500 5.603 5.585 5.658 0.158 1 0 "[ . 1]" 1
55 1 12 G H2' 1 12 G H8 4.250 3.000 5.500 2.974 2.949 2.980 0.051 1 0 "[ . 1]" 1
56 1 12 G H2' 1 13 A H8 5.000 4.000 6.000 3.961 3.930 3.977 0.070 1 0 "[ . 1]" 1
57 1 12 G H3' 1 12 G H8 3.750 2.500 5.000 4.895 4.844 5.005 0.005 8 0 "[ . 1]" 1
58 1 12 G H3' 1 13 A H8 3.750 2.500 5.000 2.478 2.467 2.490 0.033 5 0 "[ . 1]" 1
59 1 13 A H1' 1 13 A H8 3.750 2.500 5.000 3.556 3.482 3.696 . 0 0 "[ . 1]" 1
60 1 13 A H1' 1 14 G H8 4.250 3.000 5.500 2.949 2.906 2.959 0.094 1 0 "[ . 1]" 1
61 1 13 A H2' 1 13 A H8 2.850 . 3.700 3.244 2.888 3.319 . 0 0 "[ . 1]" 1
62 1 13 A H2' 1 14 G H8 3.750 2.500 5.000 4.131 4.081 4.374 . 0 0 "[ . 1]" 1
63 1 13 A H3' 1 13 A H8 4.250 3.000 5.500 4.670 4.542 4.766 . 0 0 "[ . 1]" 1
64 1 13 A H3' 1 14 G H8 4.250 3.000 5.500 3.555 3.530 3.649 . 0 0 "[ . 1]" 1
65 1 14 G H1' 1 14 G H8 3.750 2.500 5.000 3.257 3.201 3.356 . 0 0 "[ . 1]" 1
66 1 14 G H1' 1 15 G H8 4.250 3.000 5.500 4.615 4.511 4.841 . 0 0 "[ . 1]" 1
67 1 14 G H2' 1 14 G H8 3.750 2.500 5.000 4.271 4.111 4.319 . 0 0 "[ . 1]" 1
68 1 14 G H2' 1 15 G H8 2.850 . 3.700 2.464 2.271 2.770 . 0 0 "[ . 1]" 1
69 1 14 G H3' 1 14 G H8 4.250 3.000 5.500 3.375 3.010 3.499 . 0 0 "[ . 1]" 1
70 1 14 G H3' 1 15 G H8 4.250 3.000 5.500 3.005 2.988 3.078 0.012 1 0 "[ . 1]" 1
71 1 15 G H1' 1 15 G H8 3.750 2.500 5.000 3.776 3.748 3.828 . 0 0 "[ . 1]" 1
72 1 15 G H1' 1 16 U H6 4.250 3.000 5.500 5.033 4.918 5.131 . 0 0 "[ . 1]" 1
73 1 15 G H2' 1 15 G H8 4.250 3.000 5.500 3.780 3.608 3.906 . 0 0 "[ . 1]" 1
74 1 15 G H2' 1 16 U H6 2.850 . 3.700 2.361 2.226 2.435 . 0 0 "[ . 1]" 1
75 1 15 G H3' 1 15 G H8 4.250 3.000 5.500 2.990 2.972 2.994 0.028 1 0 "[ . 1]" 1
76 1 15 G H8 1 16 U H6 4.250 4.000 5.500 4.531 4.220 5.149 . 0 0 "[ . 1]" 1
77 1 16 U H1' 1 16 U H6 3.750 2.500 5.000 3.630 3.615 3.670 . 0 0 "[ . 1]" 1
78 1 16 U H1' 1 17 C H6 4.250 3.000 5.500 5.382 5.097 5.502 0.002 7 0 "[ . 1]" 1
79 1 16 U H2' 1 16 U H6 2.850 . 3.700 3.644 3.562 3.685 . 0 0 "[ . 1]" 1
80 1 16 U H2' 1 17 C H6 2.850 . 3.700 2.907 2.609 3.355 . 0 0 "[ . 1]" 1
81 1 17 C H1' 1 17 C H6 3.750 2.500 5.000 3.685 3.663 3.711 . 0 0 "[ . 1]" 1
82 1 17 C H1' 1 18 G H8 4.250 3.000 5.500 5.478 5.346 5.506 0.006 6 0 "[ . 1]" 1
83 1 17 C H2' 1 17 C H6 3.750 2.500 5.000 3.290 3.195 3.371 . 0 0 "[ . 1]" 1
84 1 17 C H2' 1 18 G H8 3.750 2.500 5.000 2.858 2.690 2.996 . 0 0 "[ . 1]" 1
85 1 17 C H5 1 18 G H8 4.250 3.000 5.500 4.408 4.101 5.232 . 0 0 "[ . 1]" 1
86 1 18 G H1' 1 18 G H8 3.750 2.500 5.000 3.743 3.678 3.914 . 0 0 "[ . 1]" 1
87 1 18 G H1' 1 19 A H8 4.250 3.000 5.500 4.586 3.216 4.893 . 0 0 "[ . 1]" 1
88 1 18 G H2' 1 18 G H8 3.750 2.500 5.000 3.729 2.510 3.964 . 0 0 "[ . 1]" 1
89 1 18 G H2' 1 19 A H8 3.750 2.500 5.000 4.346 3.955 5.005 0.005 6 0 "[ . 1]" 1
90 1 18 G H3' 1 18 G H8 3.750 2.500 5.000 3.570 2.495 4.423 0.005 1 0 "[ . 1]" 1
91 1 18 G H3' 1 19 A H8 3.750 2.500 5.000 4.963 4.560 5.031 0.031 1 0 "[ . 1]" 1
92 1 19 A H1' 1 19 A H8 3.750 2.500 5.000 3.661 3.570 3.704 . 0 0 "[ . 1]" 1
93 1 19 A H1' 1 20 G H8 4.250 3.000 5.500 5.043 4.575 5.149 . 0 0 "[ . 1]" 1
94 1 19 A H2' 1 19 A H8 3.750 2.500 5.000 4.149 4.087 4.344 . 0 0 "[ . 1]" 1
95 1 19 A H2' 1 20 G H8 3.750 2.500 5.000 2.498 2.494 2.500 0.006 1 0 "[ . 1]" 1
96 1 19 A H3' 1 19 A H8 3.750 2.500 5.000 3.394 3.340 3.541 . 0 0 "[ . 1]" 1
97 1 19 A H3' 1 20 G H8 2.850 . 3.700 2.668 2.181 2.797 . 0 0 "[ . 1]" 1
98 1 20 G H1' 1 20 G H8 3.750 2.500 5.000 3.705 3.038 3.823 . 0 0 "[ . 1]" 1
99 1 20 G H1' 1 21 A H8 4.250 3.000 5.500 5.359 3.824 5.554 0.054 1 0 "[ . 1]" 1
100 1 20 G H2' 1 20 G H8 3.750 2.500 5.000 3.915 3.757 4.756 . 0 0 "[ . 1]" 1
101 1 20 G H2' 1 21 A H8 2.850 . 3.700 2.694 2.067 2.861 . 0 0 "[ . 1]" 1
102 1 20 G H3' 1 20 G H8 4.250 3.000 5.500 3.297 3.002 4.203 . 0 0 "[ . 1]" 1
103 1 20 G H3' 1 21 A H8 4.250 3.000 5.500 3.742 3.481 4.257 . 0 0 "[ . 1]" 1
104 1 21 A H1' 1 21 A H8 3.750 2.500 5.000 3.819 3.770 3.939 . 0 0 "[ . 1]" 1
105 1 21 A H1' 1 22 G H8 4.250 3.000 5.500 5.543 5.503 5.608 0.108 1 0 "[ . 1]" 1
106 1 21 A H2' 1 21 A H8 4.250 3.000 5.500 4.035 3.002 4.219 . 0 0 "[ . 1]" 1
107 1 21 A H2' 1 22 G H8 3.750 2.500 5.000 3.901 2.956 4.092 . 0 0 "[ . 1]" 1
108 1 21 A H3' 1 21 A H8 2.850 . 3.700 2.640 2.429 2.856 . 0 0 "[ . 1]" 1
109 1 21 A H3' 1 22 G H8 2.850 . 3.700 3.366 2.987 3.720 0.020 6 0 "[ . 1]" 1
110 1 22 G H1' 1 22 G H8 3.750 2.500 5.000 3.474 3.387 3.572 . 0 0 "[ . 1]" 1
111 1 22 G H1' 1 23 A H8 4.250 3.000 5.500 5.214 4.925 5.390 . 0 0 "[ . 1]" 1
112 1 22 G H2' 1 22 G H8 2.850 . 3.700 3.759 3.751 3.811 0.111 1 0 "[ . 1]" 1
113 1 22 G H2' 1 23 A H8 3.750 2.500 5.000 2.646 2.573 2.781 . 0 0 "[ . 1]" 1
114 1 23 A H1' 1 23 A H8 3.750 2.500 5.000 3.787 3.777 3.796 . 0 0 "[ . 1]" 1
115 1 23 A H1' 1 24 C H6 4.250 3.000 5.500 5.094 5.005 5.176 . 0 0 "[ . 1]" 1
116 1 23 A H2' 1 23 A H8 4.250 3.000 5.500 3.842 3.786 3.892 . 0 0 "[ . 1]" 1
117 1 23 A H2' 1 24 C H6 3.750 2.500 5.000 2.490 2.480 2.494 0.020 1 0 "[ . 1]" 1
118 1 23 A H3' 1 23 A H8 3.750 2.500 5.000 2.671 2.602 2.769 . 0 0 "[ . 1]" 1
119 1 23 A H3' 1 24 C H6 3.750 2.500 5.000 3.102 2.987 3.163 . 0 0 "[ . 1]" 1
120 1 23 A H8 1 24 C H6 4.250 4.000 5.500 4.485 4.326 4.648 . 0 0 "[ . 1]" 1
121 1 24 C H1' 1 24 C H6 3.750 2.500 5.000 3.595 3.578 3.693 . 0 0 "[ . 1]" 1
122 1 24 C H1' 1 25 C H6 4.250 3.000 5.500 5.214 4.764 5.502 0.002 9 0 "[ . 1]" 1
123 1 24 C H2' 1 24 C H6 5.000 4.000 6.000 3.986 3.974 3.991 0.026 1 0 "[ . 1]" 1
124 1 24 C H2' 1 25 C H6 2.850 . 3.700 2.691 2.250 3.159 . 0 0 "[ . 1]" 1
125 1 24 C H3' 1 24 C H6 3.750 2.500 5.000 2.761 2.564 2.920 . 0 0 "[ . 1]" 1
126 1 24 C H6 1 25 C H5 4.250 3.000 5.500 3.886 3.547 4.105 . 0 0 "[ . 1]" 1
127 1 25 C H1' 1 25 C H6 4.250 3.000 5.500 3.695 3.654 3.842 . 0 0 "[ . 1]" 1
128 1 25 C H1' 1 26 G H8 4.250 3.000 5.500 5.507 5.502 5.527 0.027 1 0 "[ . 1]" 1
129 1 25 C H2' 1 25 C H6 4.250 3.000 5.500 2.990 2.956 3.000 0.044 1 0 "[ . 1]" 1
130 1 25 C H3' 1 25 C H6 3.750 2.500 5.000 4.906 4.823 4.947 . 0 0 "[ . 1]" 1
131 1 26 G H1' 1 26 G H8 3.750 2.500 5.000 3.359 2.996 3.501 . 0 0 "[ . 1]" 1
132 1 26 G H1' 1 27 G H8 4.250 3.000 5.500 5.002 4.626 5.087 . 0 0 "[ . 1]" 1
133 1 26 G H2' 1 26 G H8 4.250 3.000 5.500 4.362 3.952 4.443 . 0 0 "[ . 1]" 1
134 1 27 G H1' 1 27 G H8 3.750 2.500 5.000 3.666 3.638 3.751 . 0 0 "[ . 1]" 1
135 1 27 G H1' 1 28 A H8 4.250 3.000 5.500 5.303 5.201 5.422 . 0 0 "[ . 1]" 1
136 1 27 G H2' 1 28 A H8 4.250 3.000 5.500 2.995 2.986 2.998 0.014 1 0 "[ . 1]" 1
137 1 28 A H1' 1 28 A H8 4.250 3.000 5.500 3.809 3.784 3.837 . 0 0 "[ . 1]" 1
138 1 28 A H1' 1 29 G H8 4.250 3.000 5.500 5.484 5.347 5.505 0.005 8 0 "[ . 1]" 1
139 1 28 A H2' 1 29 G H8 4.250 3.000 5.500 3.059 2.996 3.445 0.004 3 0 "[ . 1]" 1
140 1 29 G H1' 1 29 G H8 4.250 3.000 5.500 3.803 3.773 3.830 . 0 0 "[ . 1]" 1
141 1 29 G H1' 1 30 A H8 4.250 3.000 5.500 5.505 5.503 5.508 0.008 10 0 "[ . 1]" 1
142 1 30 A H1' 1 30 A H8 4.250 3.000 5.500 3.668 3.418 3.855 . 0 0 "[ . 1]" 1
143 1 30 A H1' 1 31 U H6 4.250 3.000 5.500 5.373 5.041 5.506 0.006 8 0 "[ . 1]" 1
144 1 30 A H2' 1 30 A H8 3.750 2.500 5.000 3.981 3.451 4.360 . 0 0 "[ . 1]" 1
145 1 30 A H2' 1 31 U H6 3.750 2.500 5.000 3.031 2.498 4.026 0.002 7 0 "[ . 1]" 1
146 1 31 U H1' 1 31 U H6 4.250 3.000 5.500 3.488 2.999 3.629 0.001 8 0 "[ . 1]" 1
147 1 31 U H1' 1 32 A H8 4.250 3.000 5.500 4.989 2.983 5.505 0.017 7 0 "[ . 1]" 1
148 1 31 U H2' 1 31 U H6 3.750 2.500 5.000 3.867 3.518 4.555 . 0 0 "[ . 1]" 1
149 1 31 U H2' 1 32 A H8 4.250 3.000 5.500 3.268 2.990 4.310 0.010 6 0 "[ . 1]" 1
150 1 31 U H3' 1 32 A H8 4.250 3.000 5.500 4.704 3.518 5.514 0.014 9 0 "[ . 1]" 1
151 1 32 A H1' 1 32 A H8 3.750 2.500 5.000 3.889 3.860 3.934 . 0 0 "[ . 1]" 1
152 1 32 A H1' 1 33 U H6 4.250 3.000 5.500 5.062 3.618 5.496 . 0 0 "[ . 1]" 1
153 1 32 A H2' 1 32 A H8 3.750 2.500 5.000 2.892 2.475 3.221 0.025 4 0 "[ . 1]" 1
154 1 32 A H2' 1 33 U H6 3.750 2.500 5.000 3.062 2.497 4.396 0.003 10 0 "[ . 1]" 1
155 1 32 A H3' 1 32 A H8 4.250 3.000 5.500 3.517 2.980 4.808 0.020 1 0 "[ . 1]" 1
156 1 32 A H3' 1 33 U H6 4.250 3.000 5.500 3.907 3.329 5.010 . 0 0 "[ . 1]" 1
157 1 32 A H8 1 33 U H5 4.250 3.000 5.500 4.092 3.350 5.519 0.019 7 0 "[ . 1]" 1
158 1 33 U H1' 1 33 U H6 4.250 3.000 5.500 3.660 3.522 3.723 . 0 0 "[ . 1]" 1
159 1 33 U H1' 1 34 C H6 4.250 3.000 5.500 5.062 4.891 5.157 . 0 0 "[ . 1]" 1
160 1 33 U H2' 1 33 U H6 4.250 3.000 5.500 3.519 3.103 3.930 . 0 0 "[ . 1]" 1
161 1 34 C H1' 1 34 C H6 3.750 2.500 5.000 3.635 3.607 3.678 . 0 0 "[ . 1]" 1
162 1 34 C H1' 1 35 A H8 4.250 3.000 5.500 5.136 5.084 5.180 . 0 0 "[ . 1]" 1
163 1 34 C H2' 1 35 A H8 3.750 2.500 5.000 2.497 2.489 2.500 0.011 1 0 "[ . 1]" 1
164 1 34 C H5 1 35 A H8 5.000 4.000 6.000 5.218 4.646 5.495 . 0 0 "[ . 1]" 1
165 1 35 A H1' 1 35 A H8 3.750 2.500 5.000 3.801 3.782 3.830 . 0 0 "[ . 1]" 1
166 1 35 A H1' 1 36 C H6 4.250 3.000 5.500 5.161 4.962 5.225 . 0 0 "[ . 1]" 1
167 1 35 A H2' 1 36 C H6 3.750 2.500 5.000 2.494 2.483 2.497 0.017 1 0 "[ . 1]" 1
168 1 35 A H8 1 36 C H5 4.250 3.000 5.500 4.251 4.059 4.383 . 0 0 "[ . 1]" 1
169 1 36 C H1' 1 36 C H6 3.750 2.500 5.000 3.627 3.615 3.652 . 0 0 "[ . 1]" 1
170 1 36 C H1' 1 37 C H6 4.250 3.000 5.500 5.505 5.502 5.511 0.011 8 0 "[ . 1]" 1
171 1 36 C H2' 1 37 C H6 4.250 3.000 5.500 2.988 2.979 2.991 0.021 1 0 "[ . 1]" 1
172 1 37 C H1' 1 37 C H6 3.750 2.500 5.000 3.647 3.633 3.687 . 0 0 "[ . 1]" 1
173 1 37 C H1' 1 38 C H6 4.250 3.000 5.500 5.489 5.371 5.505 0.005 4 0 "[ . 1]" 1
174 1 37 C H2' 1 38 C H6 4.250 3.000 5.500 2.992 2.987 2.995 0.013 1 0 "[ . 1]" 1
175 1 38 C H1' 1 38 C H6 3.750 2.500 5.000 3.681 3.674 3.697 . 0 0 "[ . 1]" 1
176 1 38 C H2' 1 38 C H6 2.850 . 3.700 3.353 3.288 3.521 . 0 0 "[ . 1]" 1
177 1 1 G H1' 1 1 G H2' 3.750 2.500 5.000 2.801 2.785 2.813 . 0 0 "[ . 1]" 1
178 1 2 G H1' 1 2 G H2' 3.750 2.500 5.000 2.816 2.779 2.838 . 0 0 "[ . 1]" 1
179 1 3 G H1' 1 3 G H2' 3.750 2.500 5.000 2.817 2.787 2.826 . 0 0 "[ . 1]" 1
180 1 4 U H1' 1 4 U H2' 3.750 2.500 5.000 2.842 2.805 2.856 . 0 0 "[ . 1]" 1
181 1 5 G H1' 1 5 G H2' 3.750 2.500 5.000 2.793 2.731 2.807 . 0 0 "[ . 1]" 1
182 1 6 A H1' 1 6 A H2' 3.750 2.500 5.000 3.081 3.055 3.087 . 0 0 "[ . 1]" 1
183 1 7 C H1' 1 7 C H2' 3.750 2.500 5.000 2.830 2.807 2.852 . 0 0 "[ . 1]" 1
184 1 8 U H1' 1 8 U H2' 3.750 2.500 5.000 2.803 2.769 2.846 . 0 0 "[ . 1]" 1
185 1 9 C H1' 1 9 C H2' 3.750 2.500 5.000 2.812 2.786 2.833 . 0 0 "[ . 1]" 1
186 1 10 C H1' 1 10 C H2' 3.750 2.500 5.000 2.786 2.762 2.802 . 0 0 "[ . 1]" 1
187 1 11 A H1' 1 11 A H2' 3.750 2.500 5.000 2.831 2.777 2.848 . 0 0 "[ . 1]" 1
188 1 12 G H1' 1 12 G H2' 4.250 3.000 5.500 2.980 2.957 2.988 0.043 1 0 "[ . 1]" 1
189 1 13 A H1' 1 13 A H2' 3.750 2.500 5.000 3.070 3.047 3.088 . 0 0 "[ . 1]" 1
190 1 14 G H1' 1 14 G H2' 3.750 2.500 5.000 2.822 2.812 2.863 . 0 0 "[ . 1]" 1
191 1 15 G H1' 1 15 G H2' 3.750 2.500 5.000 2.855 2.823 2.869 . 0 0 "[ . 1]" 1
192 1 16 U H1' 1 16 U H2' 3.750 2.500 5.000 2.826 2.785 2.838 . 0 0 "[ . 1]" 1
193 1 17 C H1' 1 17 C H2' 3.750 2.500 5.000 2.853 2.834 2.866 . 0 0 "[ . 1]" 1
194 1 18 G H1' 1 18 G H2' 3.750 2.500 5.000 2.928 2.831 3.064 . 0 0 "[ . 1]" 1
195 1 19 A H1' 1 19 A H2' 3.750 2.500 5.000 2.813 2.743 2.830 . 0 0 "[ . 1]" 1
196 1 20 G H1' 1 20 G H2' 3.750 2.500 5.000 2.792 2.701 2.820 . 0 0 "[ . 1]" 1
197 1 21 A H1' 1 21 A H2' 3.750 2.500 5.000 2.494 2.434 2.590 0.066 1 0 "[ . 1]" 1
198 1 23 A H1' 1 23 A H2' 3.750 2.500 5.000 2.790 2.768 2.814 . 0 0 "[ . 1]" 1
199 1 24 C H1' 1 24 C H2' 3.750 2.500 5.000 2.805 2.755 2.821 . 0 0 "[ . 1]" 1
200 1 25 C H1' 1 25 C H2' 3.750 2.500 5.000 3.076 3.030 3.088 . 0 0 "[ . 1]" 1
201 1 26 G H1' 1 26 G H2' 4.250 3.000 5.500 2.966 2.949 2.995 0.051 5 0 "[ . 1]" 1
202 1 27 G H1' 1 27 G H2' 3.750 2.500 5.000 2.812 2.802 2.828 . 0 0 "[ . 1]" 1
203 1 28 A H1' 1 28 A H2' 3.750 2.500 5.000 2.791 2.721 2.819 . 0 0 "[ . 1]" 1
204 1 29 G H1' 1 29 G H2' 3.750 2.500 5.000 2.832 2.809 2.852 . 0 0 "[ . 1]" 1
205 1 30 A H1' 1 30 A H2' 3.750 2.500 5.000 2.824 2.766 2.864 . 0 0 "[ . 1]" 1
206 1 31 U H1' 1 31 U H2' 4.250 3.000 5.500 2.977 2.952 3.066 0.048 1 0 "[ . 1]" 1
207 1 32 A H1' 1 32 A H2' 3.750 2.500 5.000 2.970 2.903 3.087 . 0 0 "[ . 1]" 1
208 1 33 U H1' 1 33 U H2' 3.750 2.500 5.000 2.831 2.774 2.869 . 0 0 "[ . 1]" 1
209 1 34 C H1' 1 34 C H2' 3.750 2.500 5.000 2.823 2.798 2.841 . 0 0 "[ . 1]" 1
210 1 35 A H1' 1 35 A H2' 3.750 2.500 5.000 2.797 2.726 2.815 . 0 0 "[ . 1]" 1
211 1 36 C H1' 1 36 C H2' 3.750 2.500 5.000 2.784 2.777 2.794 . 0 0 "[ . 1]" 1
212 1 37 C H1' 1 37 C H2' 3.750 2.500 5.000 2.812 2.792 2.818 . 0 0 "[ . 1]" 1
213 1 38 C H1' 1 38 C H2' 3.750 2.500 5.000 2.860 2.833 2.866 . 0 0 "[ . 1]" 1
214 1 6 A H2 1 7 C H1' 4.250 3.000 5.500 4.962 4.010 5.501 0.001 3 0 "[ . 1]" 1
215 1 11 A H1' 1 11 A H2 4.250 3.000 5.500 4.872 4.816 5.003 . 0 0 "[ . 1]" 1
216 1 11 A H2 1 26 G H1' 4.250 3.000 5.500 4.943 4.477 5.455 . 0 0 "[ . 1]" 1
217 1 11 A H2 1 12 G H1' 5.000 4.000 6.000 5.948 5.640 6.007 0.007 10 0 "[ . 1]" 1
218 1 13 A H1' 1 13 A H2 5.000 4.000 6.000 4.304 4.205 4.475 . 0 0 "[ . 1]" 1
219 1 13 A H2 1 14 G H1' 3.750 2.500 5.000 3.941 3.638 4.373 . 0 0 "[ . 1]" 1
220 1 19 A H1' 1 19 A H2 4.250 3.000 5.500 4.797 4.744 4.928 . 0 0 "[ . 1]" 1
221 1 19 A H2 1 20 G H1' 3.750 2.500 5.000 3.736 3.486 3.895 . 0 0 "[ . 1]" 1
222 1 21 A H1' 1 21 A H2 5.000 4.000 6.000 4.001 3.977 4.174 0.023 8 0 "[ . 1]" 1
223 1 20 G H1' 1 21 A H2 4.250 3.000 5.500 5.518 5.513 5.531 0.031 1 0 "[ . 1]" 1
224 1 21 A H2 1 22 G H1' 4.250 3.000 5.500 4.297 4.178 4.627 . 0 0 "[ . 1]" 1
225 1 23 A H1' 1 23 A H2 4.250 3.000 5.500 4.660 4.631 4.706 . 0 0 "[ . 1]" 1
226 1 23 A H2 1 24 C H1' 3.750 2.500 5.000 4.919 4.836 5.004 0.004 6 0 "[ . 1]" 1
227 1 17 C H1' 1 23 A H2 3.750 2.500 5.000 5.003 5.001 5.007 0.007 6 0 "[ . 1]" 1
228 1 9 C H1' 1 28 A H2 3.750 2.500 5.000 3.196 2.812 3.841 . 0 0 "[ . 1]" 1
229 1 28 A H2 1 29 G H1' 4.250 3.000 5.500 4.095 3.110 4.676 . 0 0 "[ . 1]" 1
230 1 28 A H1' 1 28 A H2 5.000 4.000 6.000 4.671 4.627 4.755 . 0 0 "[ . 1]" 1
231 1 7 C H1' 1 30 A H2 3.750 2.500 5.000 4.457 3.742 5.002 0.002 9 0 "[ . 1]" 1
232 1 30 A H1' 1 30 A H2 5.000 4.000 6.000 4.755 4.551 5.015 . 0 0 "[ . 1]" 1
233 1 32 A H2 1 33 U H1' 3.750 2.500 5.000 4.450 2.636 5.006 0.006 3 0 "[ . 1]" 1
234 1 32 A H1' 1 32 A H2 5.000 4.000 6.000 4.522 4.468 4.555 . 0 0 "[ . 1]" 1
235 1 35 A H1' 1 35 A H2 4.250 3.000 5.500 4.708 4.640 4.748 . 0 0 "[ . 1]" 1
236 1 35 A H2 1 36 C H1' 3.750 2.500 5.000 4.055 3.686 4.541 . 0 0 "[ . 1]" 1
237 1 5 G H1' 1 35 A H2 3.750 2.500 5.000 4.718 4.206 4.949 . 0 0 "[ . 1]" 1
238 1 3 G H1' 1 4 U H1' 5.000 4.000 6.000 6.002 5.997 6.003 0.003 9 0 "[ . 1]" 1
239 1 7 C H1' 1 8 U H5 5.000 4.000 6.000 5.211 4.834 5.459 . 0 0 "[ . 1]" 1
240 1 9 C H1' 1 10 C H1' 4.250 3.000 5.500 5.137 4.905 5.483 . 0 0 "[ . 1]" 1
241 1 9 C H1' 1 10 C H5 5.000 4.000 6.000 6.005 6.002 6.013 0.013 1 0 "[ . 1]" 1
242 1 9 C H5 1 10 C H5 4.250 3.000 5.500 5.102 4.752 5.375 . 0 0 "[ . 1]" 1
243 1 10 C H1' 1 11 A H1' 5.000 4.000 6.000 4.501 4.168 4.725 . 0 0 "[ . 1]" 1
244 1 15 G H1' 1 16 U H5 4.250 3.000 5.500 5.502 5.488 5.508 0.008 1 0 "[ . 1]" 1
245 1 16 U H1' 1 16 U H5 4.250 3.000 5.500 5.374 5.365 5.407 . 0 0 "[ . 1]" 1
246 1 16 U H5 1 17 C H5 4.250 3.000 5.500 3.423 3.120 3.649 . 0 0 "[ . 1]" 1
247 1 19 A H1' 1 20 G H1' 5.000 4.000 6.000 5.998 5.911 6.024 0.024 1 0 "[ . 1]" 1
248 1 20 G H1' 1 21 A H1' 4.250 3.000 5.500 4.719 4.602 5.085 . 0 0 "[ . 1]" 1
249 1 23 A H1' 1 24 C H5 4.250 3.000 5.500 5.490 5.387 5.505 0.005 5 0 "[ . 1]" 1
250 1 23 A H1' 1 24 C H1' 5.000 4.000 6.000 6.003 6.000 6.004 0.004 5 0 "[ . 1]" 1
251 1 24 C H5 1 25 C H5 4.250 3.000 5.500 3.686 3.429 3.820 . 0 0 "[ . 1]" 1
252 1 31 U H1' 1 32 A H1' 5.000 4.000 6.000 5.358 4.865 6.010 0.010 4 0 "[ . 1]" 1
253 1 33 U H1' 1 34 C H5 5.000 4.000 6.000 5.777 5.291 6.001 0.001 5 0 "[ . 1]" 1
254 1 33 U H5 1 34 C H5 5.000 4.000 6.000 4.057 3.995 4.590 0.005 1 0 "[ . 1]" 1
255 1 35 A H1' 1 36 C H1' 4.250 3.000 5.500 5.500 5.485 5.516 0.016 1 0 "[ . 1]" 1
256 1 36 C H1' 1 36 C H5 5.000 4.000 6.000 5.328 5.285 5.368 . 0 0 "[ . 1]" 1
257 1 36 C H5 1 37 C H5 4.250 3.000 5.500 3.708 3.642 3.787 . 0 0 "[ . 1]" 1
258 1 1 G H8 1 2 G H8 5.000 4.000 6.000 4.846 4.547 4.987 . 0 0 "[ . 1]" 1
259 1 2 G H8 1 3 G H8 5.000 4.000 6.000 4.829 4.600 5.101 . 0 0 "[ . 1]" 1
260 1 10 C H6 1 11 A H8 5.000 4.000 6.000 4.746 4.625 4.825 . 0 0 "[ . 1]" 1
261 1 11 A H8 1 12 G H8 5.000 4.000 6.000 6.012 6.001 6.018 0.018 4 0 "[ . 1]" 1
262 1 13 A H8 1 14 G H8 5.000 4.000 6.000 6.028 6.017 6.066 0.066 1 0 "[ . 1]" 1
263 1 17 C H6 1 18 G H8 5.000 4.000 6.000 4.529 4.285 5.052 . 0 0 "[ . 1]" 1
264 1 19 A H8 1 20 G H8 5.000 4.000 6.000 4.652 3.993 4.799 0.007 6 0 "[ . 1]" 1
265 1 20 G H8 1 21 A H8 5.000 4.000 6.000 5.853 5.729 6.016 0.016 6 0 "[ . 1]" 1
266 1 21 A H8 1 22 G H8 5.000 4.000 6.000 4.059 3.974 4.632 0.026 1 0 "[ . 1]" 1
267 1 26 G H8 1 27 G H8 5.000 4.000 6.000 5.900 5.639 6.034 0.034 1 0 "[ . 1]" 1
268 1 27 G H8 1 28 A H8 5.000 4.000 6.000 4.586 4.298 4.878 . 0 0 "[ . 1]" 1
269 1 30 A H8 1 31 U H6 5.000 4.000 6.000 5.790 4.093 6.018 0.018 1 0 "[ . 1]" 1
270 1 32 A H8 1 33 U H6 5.000 4.000 6.000 4.639 3.998 5.950 0.002 5 0 "[ . 1]" 1
271 1 34 C H6 1 35 A H8 5.000 4.000 6.000 4.547 4.262 4.729 . 0 0 "[ . 1]" 1
272 1 35 A H8 1 36 C H6 5.000 4.000 6.000 4.902 4.596 4.996 . 0 0 "[ . 1]" 1
273 1 31 U H2' 1 32 A H1' 5.000 4.000 6.000 4.844 4.001 6.040 0.040 7 0 "[ . 1]" 1
274 1 30 A H2' 1 31 U H1' 4.250 3.000 5.500 3.349 2.967 5.524 0.033 1 0 "[ . 1]" 1
275 1 13 A H3' 1 14 G H1' 5.000 4.000 6.000 6.057 6.048 6.113 0.113 1 0 "[ . 1]" 1
276 1 14 G H2' 1 15 G H1' 5.000 4.000 6.000 4.440 3.994 4.591 0.006 1 0 "[ . 1]" 1
277 1 11 A H2' 1 12 G H1' 3.750 2.750 5.500 5.337 4.541 5.509 0.009 1 0 "[ . 1]" 1
278 1 11 A H2' 1 12 G H3' 3.750 2.750 5.500 4.590 4.319 5.128 . 0 0 "[ . 1]" 1
279 1 13 A H1' 1 14 G H2' 3.750 2.750 5.500 5.387 5.310 5.474 . 0 0 "[ . 1]" 1
280 1 31 U H2' 1 32 A H2' 3.750 2.750 5.500 5.115 3.817 5.516 0.016 4 0 "[ . 1]" 1
281 1 21 A H1' 1 22 G H2' 3.750 2.750 5.500 5.585 5.571 5.651 0.151 1 0 "[ . 1]" 1
282 1 21 A H2 1 21 A H2' 3.750 2.750 5.500 5.538 5.534 5.541 0.041 2 0 "[ . 1]" 1
283 1 20 G H2' 1 21 A H1' 3.750 2.750 5.500 3.600 3.328 4.430 . 0 0 "[ . 1]" 1
284 1 19 A H2' 1 20 G H1' 3.750 2.750 5.500 3.967 3.845 4.005 . 0 0 "[ . 1]" 1
285 1 2 G H2' 1 3 G H1' 3.750 2.750 5.500 4.333 4.160 4.453 . 0 0 "[ . 1]" 1
286 1 6 A H2' 1 7 C H1' 3.750 2.750 5.500 5.521 5.510 5.548 0.048 1 0 "[ . 1]" 1
287 1 3 G H1 1 4 U H3 4.000 2.500 6.000 3.674 3.407 3.916 . 0 0 "[ . 1]" 1
288 1 15 G H1 1 16 U H3 4.000 2.500 6.000 4.161 3.978 4.295 . 0 0 "[ . 1]" 1
289 1 16 U H3 1 22 G H1 4.000 2.500 6.000 4.733 4.585 4.984 . 0 0 "[ . 1]" 1
290 1 13 A H1' 1 14 G H1 4.000 2.500 6.000 6.026 6.013 6.040 0.040 1 0 "[ . 1]" 1
291 1 14 G H1 1 26 G H1' 4.000 2.500 6.000 4.752 4.427 5.254 . 0 0 "[ . 1]" 1
292 1 18 G H1 1 21 A H2 4.000 2.500 6.000 6.042 6.029 6.133 0.133 1 0 "[ . 1]" 1
293 1 18 G H1 1 21 A H8 4.000 2.500 6.000 3.571 3.304 3.647 . 0 0 "[ . 1]" 1
294 1 18 G H1 1 21 A H1' 4.000 2.500 6.000 6.016 6.000 6.025 0.025 1 0 "[ . 1]" 1
295 1 11 A H1' 1 26 G H1 4.000 2.500 6.000 5.975 5.734 6.011 0.011 2 0 "[ . 1]" 1
296 1 11 A H8 1 26 G H1 4.000 2.500 6.000 4.663 4.432 5.218 . 0 0 "[ . 1]" 1
297 1 7 C H1' 1 32 A H2 4.250 3.000 5.500 5.114 3.947 5.507 0.007 4 0 "[ . 1]" 1
298 1 8 U H1' 1 32 A H2 3.750 2.500 5.000 4.992 4.865 5.017 0.017 1 0 "[ . 1]" 1
299 1 12 G H8 1 14 G H1' 5.000 4.000 6.000 5.256 5.020 5.385 . 0 0 "[ . 1]" 1
300 1 12 G H1' 1 14 G H1' 5.000 4.000 6.000 5.328 5.218 5.508 . 0 0 "[ . 1]" 1
301 1 12 G H1' 1 14 G H3' 5.000 4.000 6.000 6.040 6.030 6.081 0.081 1 0 "[ . 1]" 1
302 1 12 G H2' 1 14 G H1' 5.000 4.000 6.000 3.962 3.943 3.971 0.057 1 0 "[ . 1]" 1
303 1 12 G H2' 1 14 G H8 4.250 3.000 5.500 5.570 5.555 5.616 0.116 1 0 "[ . 1]" 1
304 1 13 A H2 1 27 G H1' 4.250 3.000 5.500 5.526 5.513 5.548 0.048 1 0 "[ . 1]" 1
305 1 18 G H1' 1 20 G H8 5.000 4.500 6.500 4.618 4.490 5.218 0.010 6 0 "[ . 1]" 1
306 1 21 A H8 1 22 G H1' 3.750 2.500 5.000 4.201 3.987 4.494 . 0 0 "[ . 1]" 1
307 1 32 A H8 1 33 U H1' 5.000 4.000 6.000 5.730 5.240 6.014 0.014 7 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 82
_Distance_constraint_stats_list.Viol_count 293
_Distance_constraint_stats_list.Viol_total 21.366
_Distance_constraint_stats_list.Viol_max 0.047
_Distance_constraint_stats_list.Viol_rms 0.0058
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0073
_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 0.049 0.021 1 0 "[ . 1]"
1 2 G 0.034 0.010 1 0 "[ . 1]"
1 3 G 0.053 0.027 1 0 "[ . 1]"
1 4 U 0.130 0.026 1 0 "[ . 1]"
1 5 G 0.030 0.012 1 0 "[ . 1]"
1 6 A 0.086 0.017 1 0 "[ . 1]"
1 7 C 0.106 0.025 1 0 "[ . 1]"
1 8 U 0.127 0.020 1 0 "[ . 1]"
1 9 C 0.127 0.040 1 0 "[ . 1]"
1 10 C 0.181 0.021 3 0 "[ . 1]"
1 14 G 0.122 0.021 9 0 "[ . 1]"
1 15 G 0.092 0.031 1 0 "[ . 1]"
1 16 U 0.108 0.023 1 0 "[ . 1]"
1 17 C 0.214 0.038 1 0 "[ . 1]"
1 18 G 0.680 0.047 1 0 "[ . 1]"
1 20 G 0.019 0.017 6 0 "[ . 1]"
1 21 A 0.661 0.047 1 0 "[ . 1]"
1 22 G 0.214 0.038 1 0 "[ . 1]"
1 23 A 0.108 0.023 1 0 "[ . 1]"
1 24 C 0.092 0.031 1 0 "[ . 1]"
1 25 C 0.122 0.021 9 0 "[ . 1]"
1 26 G 0.181 0.021 3 0 "[ . 1]"
1 27 G 0.127 0.040 1 0 "[ . 1]"
1 28 A 0.127 0.020 1 0 "[ . 1]"
1 29 G 0.106 0.025 1 0 "[ . 1]"
1 33 U 0.086 0.017 1 0 "[ . 1]"
1 34 C 0.030 0.012 1 0 "[ . 1]"
1 35 A 0.130 0.026 1 0 "[ . 1]"
1 36 C 0.053 0.027 1 0 "[ . 1]"
1 37 C 0.034 0.010 1 0 "[ . 1]"
1 38 C 0.049 0.021 1 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 H1 1 38 C N3 1.950 . 2.050 2.051 2.028 2.071 0.021 1 0 "[ . 1]" 2
2 1 1 G O6 1 38 C H41 1.910 . 2.010 1.985 1.920 2.011 0.001 9 0 "[ . 1]" 2
3 1 1 G H21 1 38 C O2 1.860 . 1.960 1.949 1.925 1.962 0.002 1 0 "[ . 1]" 2
4 1 1 G N1 1 38 C N3 2.950 2.850 3.050 3.047 3.031 3.052 0.002 1 0 "[ . 1]" 2
5 1 1 G O6 1 38 C N4 2.910 2.810 3.010 2.984 2.906 3.008 . 0 0 "[ . 1]" 2
6 1 1 G N2 1 38 C O2 2.860 2.760 2.960 2.952 2.932 2.962 0.002 4 0 "[ . 1]" 2
7 1 2 G H1 1 37 C N3 1.950 . 2.050 2.033 2.017 2.058 0.008 1 0 "[ . 1]" 2
8 1 2 G O6 1 37 C H41 1.910 . 2.010 2.000 1.969 2.013 0.003 8 0 "[ . 1]" 2
9 1 2 G H21 1 37 C O2 1.860 . 1.960 1.932 1.881 1.970 0.010 1 0 "[ . 1]" 2
10 1 2 G N1 1 37 C N3 2.950 2.850 3.050 3.019 2.996 3.052 0.002 1 0 "[ . 1]" 2
11 1 2 G O6 1 37 C N4 2.910 2.810 3.010 2.982 2.963 3.003 . 0 0 "[ . 1]" 2
12 1 2 G N2 1 37 C O2 2.860 2.760 2.960 2.914 2.881 2.961 0.001 4 0 "[ . 1]" 2
13 1 3 G H1 1 36 C N3 1.950 . 2.050 2.033 2.016 2.077 0.027 1 0 "[ . 1]" 2
14 1 3 G O6 1 36 C H41 1.910 . 2.010 1.937 1.871 2.009 . 0 0 "[ . 1]" 2
15 1 3 G H21 1 36 C O2 1.860 . 1.960 1.956 1.950 1.963 0.003 1 0 "[ . 1]" 2
16 1 3 G N1 1 36 C N3 2.950 2.850 3.050 3.028 3.014 3.052 0.002 4 0 "[ . 1]" 2
17 1 3 G O6 1 36 C N4 2.910 2.810 3.010 2.938 2.857 3.010 . 0 0 "[ . 1]" 2
18 1 3 G N2 1 36 C O2 2.860 2.760 2.960 2.961 2.955 2.964 0.004 8 0 "[ . 1]" 2
19 1 4 U H3 1 35 A N1 1.820 . 1.920 1.923 1.917 1.946 0.026 1 0 "[ . 1]" 2
20 1 4 U O4 1 35 A H61 1.950 . 2.050 2.015 1.928 2.052 0.002 7 0 "[ . 1]" 2
21 1 4 U N3 1 35 A N1 2.820 2.720 2.920 2.929 2.921 2.945 0.025 1 0 "[ . 1]" 2
22 1 4 U O4 1 35 A N6 2.950 2.850 3.050 3.014 2.930 3.053 0.003 7 0 "[ . 1]" 2
23 1 5 G H1 1 34 C N3 1.950 . 2.050 2.036 2.022 2.062 0.012 1 0 "[ . 1]" 2
24 1 5 G O6 1 34 C H41 1.910 . 2.010 1.994 1.957 2.012 0.002 7 0 "[ . 1]" 2
25 1 5 G H21 1 34 C O2 1.860 . 1.960 1.950 1.917 1.961 0.001 6 0 "[ . 1]" 2
26 1 5 G N1 1 34 C N3 2.950 2.850 3.050 3.034 3.006 3.052 0.002 1 0 "[ . 1]" 2
27 1 5 G O6 1 34 C N4 2.910 2.810 3.010 2.986 2.945 3.013 0.003 9 0 "[ . 1]" 2
28 1 5 G N2 1 34 C O2 2.860 2.760 2.960 2.928 2.901 2.953 . 0 0 "[ . 1]" 2
29 1 6 A N1 1 33 U H3 1.820 . 1.920 1.911 1.871 1.935 0.015 1 0 "[ . 1]" 2
30 1 6 A H61 1 33 U O4 1.950 . 2.050 2.035 1.926 2.055 0.005 7 0 "[ . 1]" 2
31 1 6 A N1 1 33 U N3 2.820 2.720 2.920 2.905 2.821 2.937 0.017 1 0 "[ . 1]" 2
32 1 6 A N6 1 33 U O4 2.950 2.850 3.050 3.030 2.924 3.058 0.008 4 0 "[ . 1]" 2
33 1 7 C N3 1 29 G H1 1.950 . 2.050 2.036 1.995 2.051 0.001 3 0 "[ . 1]" 2
34 1 7 C H41 1 29 G O6 1.910 . 2.010 1.979 1.910 2.011 0.001 8 0 "[ . 1]" 2
35 1 7 C O2 1 29 G H21 1.860 . 1.960 1.969 1.961 1.985 0.025 1 0 "[ . 1]" 2
36 1 7 C N3 1 29 G N1 2.950 2.850 3.050 3.032 2.980 3.053 0.003 8 0 "[ . 1]" 2
37 1 7 C N4 1 29 G O6 2.910 2.810 3.010 2.958 2.873 3.008 . 0 0 "[ . 1]" 2
38 1 7 C O2 1 29 G N2 2.860 2.760 2.960 2.941 2.912 2.961 0.001 5 0 "[ . 1]" 2
39 1 8 U H3 1 28 A N1 1.820 . 1.920 1.929 1.924 1.938 0.018 1 0 "[ . 1]" 2
40 1 8 U O4 1 28 A H61 1.950 . 2.050 1.933 1.883 2.051 0.001 3 0 "[ . 1]" 2
41 1 8 U N3 1 28 A N1 2.820 2.720 2.920 2.903 2.885 2.940 0.020 1 0 "[ . 1]" 2
42 1 8 U O4 1 28 A N6 2.950 2.850 3.050 2.894 2.840 3.002 0.010 1 0 "[ . 1]" 2
43 1 9 C N3 1 27 G H1 1.950 . 2.050 2.061 2.052 2.090 0.040 1 0 "[ . 1]" 2
44 1 9 C H41 1 27 G O6 1.910 . 2.010 1.986 1.924 2.012 0.002 8 0 "[ . 1]" 2
45 1 9 C O2 1 27 G H21 1.860 . 1.960 1.948 1.845 1.966 0.006 3 0 "[ . 1]" 2
46 1 9 C N3 1 27 G N1 2.950 2.850 3.050 2.992 2.986 3.014 . 0 0 "[ . 1]" 2
47 1 9 C N4 1 27 G O6 2.910 2.810 3.010 2.932 2.894 2.951 . 0 0 "[ . 1]" 2
48 1 9 C O2 1 27 G N2 2.860 2.760 2.960 2.918 2.846 2.942 . 0 0 "[ . 1]" 2
49 1 10 C N3 1 26 G H1 1.950 . 2.050 1.977 1.896 2.064 0.014 1 0 "[ . 1]" 2
50 1 10 C Q4 1 26 G O6 1.910 . 2.010 1.897 1.821 1.998 . 0 0 "[ . 1]" 2
51 1 10 C O2 1 26 G H21 1.860 . 1.960 1.970 1.965 1.981 0.021 3 0 "[ . 1]" 2
52 1 10 C N3 1 26 G N1 2.910 2.810 3.010 2.944 2.813 3.013 0.003 1 0 "[ . 1]" 2
53 1 10 C N4 1 26 G O6 2.910 2.810 3.010 2.832 2.799 2.920 0.011 3 0 "[ . 1]" 2
54 1 10 C O2 1 26 G N2 2.860 2.760 2.960 2.962 2.947 2.967 0.007 8 0 "[ . 1]" 2
55 1 14 G H1 1 25 C N3 1.950 . 2.050 2.055 1.983 2.071 0.021 9 0 "[ . 1]" 2
56 1 14 G O6 1 25 C H41 1.910 . 2.010 1.951 1.848 2.010 . 0 0 "[ . 1]" 2
57 1 14 G H21 1 25 C O2 1.860 . 1.960 1.860 1.841 1.891 . 0 0 "[ . 1]" 2
58 1 14 G N1 1 25 C N3 2.950 2.850 3.050 2.889 2.850 2.990 0.000 9 0 "[ . 1]" 2
59 1 14 G O6 1 25 C N4 2.910 2.810 3.010 2.881 2.808 2.941 0.002 1 0 "[ . 1]" 2
60 1 14 G N2 1 25 C O2 2.860 2.760 2.960 2.834 2.785 2.897 . 0 0 "[ . 1]" 2
61 1 15 G H1 1 24 C N3 1.950 . 2.050 2.054 2.011 2.081 0.031 1 0 "[ . 1]" 2
62 1 15 G O6 1 24 C H41 1.910 . 2.010 2.002 1.929 2.014 0.004 9 0 "[ . 1]" 2
63 1 15 G H21 1 24 C O2 1.860 . 1.960 1.935 1.866 1.961 0.001 3 0 "[ . 1]" 2
64 1 15 G N1 1 24 C N3 2.950 2.850 3.050 2.987 2.973 3.021 . 0 0 "[ . 1]" 2
65 1 15 G O6 1 24 C N4 2.910 2.810 3.010 2.948 2.926 3.013 0.003 5 0 "[ . 1]" 2
66 1 15 G N2 1 24 C O2 2.860 2.760 2.960 2.902 2.863 2.918 . 0 0 "[ . 1]" 2
67 1 16 U H3 1 23 A N1 1.820 . 1.920 1.927 1.921 1.939 0.019 1 0 "[ . 1]" 2
68 1 16 U O4 1 23 A H61 1.950 . 2.050 2.028 1.932 2.054 0.004 9 0 "[ . 1]" 2
69 1 16 U N3 1 23 A N1 2.820 2.720 2.920 2.919 2.906 2.943 0.023 1 0 "[ . 1]" 2
70 1 16 U O4 1 23 A N6 2.950 2.850 3.050 3.015 2.911 3.051 0.001 2 0 "[ . 1]" 2
71 1 17 C N3 1 22 G H1 1.950 . 2.050 2.057 2.039 2.088 0.038 1 0 "[ . 1]" 2
72 1 17 C H41 1 22 G O6 1.910 . 2.010 1.946 1.904 1.992 . 0 0 "[ . 1]" 2
73 1 17 C O2 1 22 G H21 1.860 . 1.960 1.971 1.968 1.976 0.016 1 0 "[ . 1]" 2
74 1 17 C N3 1 22 G N1 2.950 2.850 3.050 2.999 2.979 3.051 0.001 1 0 "[ . 1]" 2
75 1 17 C N4 1 22 G O6 2.910 2.810 3.010 2.899 2.880 2.923 . 0 0 "[ . 1]" 2
76 1 17 C O2 1 22 G N2 2.860 2.760 2.960 2.954 2.941 2.968 0.008 5 0 "[ . 1]" 2
77 1 18 G N3 1 21 A H62 2.000 . 2.100 2.122 2.116 2.147 0.047 1 0 "[ . 1]" 2
78 1 18 G N3 1 21 A N6 3.000 2.900 3.100 2.923 2.889 3.107 0.011 3 0 "[ . 1]" 2
79 1 18 G H21 1 21 A N7 2.000 . 2.100 2.116 2.112 2.130 0.030 1 0 "[ . 1]" 2
80 1 18 G N2 1 21 A N7 3.000 2.900 3.100 2.885 2.858 2.945 0.042 1 0 "[ . 1]" 2
81 1 18 G HO2' 1 20 G N7 2.000 . 2.200 2.179 2.050 2.217 0.017 6 0 "[ . 1]" 2
82 1 18 G O2' 1 20 G N7 3.000 2.800 3.200 3.068 3.011 3.097 . 0 0 "[ . 1]" 2
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