NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
400215 |
1ull   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ull
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 386
_Distance_constraint_stats_list.Viol_count 732
_Distance_constraint_stats_list.Viol_total 507.323
_Distance_constraint_stats_list.Viol_max 1.231
_Distance_constraint_stats_list.Viol_rms 0.0892
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0268
_Distance_constraint_stats_list.Viol_average_violations_only 0.0990
_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 1.060 0.163 7 0 "[ . ]"
1 2 G 1.523 0.200 6 0 "[ . ]"
1 3 C 1.997 0.200 6 0 "[ . ]"
1 4 U 2.129 0.225 3 0 "[ . ]"
1 5 G 1.946 0.225 3 0 "[ . ]"
1 6 G 1.832 0.214 6 0 "[ . ]"
1 7 A 2.177 0.214 6 0 "[ . ]"
1 8 C 2.046 0.218 7 0 "[ . ]"
1 9 U 4.328 0.218 7 0 "[ . ]"
1 10 C 3.571 0.154 5 0 "[ . ]"
1 11 G 2.654 0.193 6 0 "[ . ]"
1 12 U 2.357 0.193 6 0 "[ . ]"
1 13 A 2.804 0.164 3 0 "[ . ]"
1 14 C 15.385 0.873 2 7 [*+***-*]
1 15 U 17.511 0.873 2 7 [*+***-*]
1 16 U 12.617 1.231 3 7 [**+***-]
1 17 C 11.607 1.231 3 7 [**+***-]
1 18 G 5.304 0.425 2 0 "[ . ]"
1 19 G 5.963 0.425 2 0 "[ . ]"
1 20 U 1.932 0.211 2 0 "[ . ]"
1 21 A 1.264 0.138 6 0 "[ . ]"
1 22 C 0.923 0.138 6 0 "[ . ]"
1 23 U 0.867 0.189 7 0 "[ . ]"
1 24 G 2.245 0.202 2 0 "[ . ]"
1 25 G 1.624 0.189 7 0 "[ . ]"
1 26 A 1.615 0.188 5 0 "[ . ]"
1 27 G 2.743 0.193 2 0 "[ . ]"
1 28 A 3.270 0.193 2 0 "[ . ]"
1 29 A 2.534 0.320 6 0 "[ . ]"
1 30 A 0.754 0.173 5 0 "[ . ]"
1 31 C 1.676 0.123 2 0 "[ . ]"
1 32 A 2.191 0.209 4 0 "[ . ]"
1 33 G 2.203 0.209 4 0 "[ . ]"
1 34 C 1.018 0.159 5 0 "[ . ]"
1 35 C 0.304 0.072 3 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 3.500 2.750 4.250 3.668 3.448 3.810 . 0 0 "[ . ]" 1
2 1 1 G H1' 1 2 G H8 3.500 2.750 4.250 3.836 2.752 4.275 0.025 6 0 "[ . ]" 1
3 1 1 G H1' 1 1 G H2' 2.700 . 3.450 2.946 2.884 3.022 . 0 0 "[ . ]" 1
4 1 1 G H2' 1 1 G H8 3.500 2.750 4.250 3.086 2.587 3.589 0.163 7 0 "[ . ]" 1
5 1 1 G H2' 1 2 G H8 3.500 . 4.250 2.734 1.990 4.131 0.010 3 0 "[ . ]" 1
6 1 1 G H3' 1 1 G H8 3.500 2.750 4.250 3.494 2.670 4.364 0.114 2 0 "[ . ]" 1
7 1 1 G H3' 1 2 G H8 3.500 2.750 4.250 4.145 3.789 4.410 0.160 7 0 "[ . ]" 1
8 1 1 G H1' 1 1 G H3' 3.500 2.750 4.250 3.829 3.685 3.969 . 0 0 "[ . ]" 1
9 1 1 G H1' 1 1 G H4' 3.500 2.750 4.250 2.903 2.702 3.305 0.048 2 0 "[ . ]" 1
10 1 1 G H4' 1 1 G H8 4.500 3.500 5.500 4.842 4.355 5.547 0.047 7 0 "[ . ]" 1
11 1 2 G H1' 1 2 G H8 3.500 2.750 4.250 3.842 3.736 4.020 . 0 0 "[ . ]" 1
12 1 2 G H1' 1 3 C H6 3.500 2.750 4.250 4.378 4.277 4.450 0.200 6 0 "[ . ]" 1
13 1 2 G H2' 1 2 G H8 3.500 2.750 4.250 3.766 3.227 4.269 0.019 5 0 "[ . ]" 1
14 1 2 G H2' 1 3 C H6 3.500 . 4.250 1.953 1.908 1.987 0.092 3 0 "[ . ]" 1
15 1 2 G H1' 1 2 G H2' 2.700 . 3.450 2.606 2.488 2.779 . 0 0 "[ . ]" 1
16 1 2 G H3' 1 2 G H8 3.500 2.750 4.250 2.866 2.745 3.138 0.005 4 0 "[ . ]" 1
17 1 2 G H3' 1 3 C H6 3.500 2.750 4.500 3.242 2.859 3.796 . 0 0 "[ . ]" 1
18 1 2 G H1' 1 2 G H3' 3.500 2.750 4.250 3.737 3.687 3.801 . 0 0 "[ . ]" 1
19 1 2 G H1' 1 2 G H4' 3.500 2.750 4.250 3.328 3.046 3.457 . 0 0 "[ . ]" 1
20 1 2 G H4' 1 2 G H8 4.500 3.500 5.500 4.429 4.242 4.582 . 0 0 "[ . ]" 1
21 1 3 C H1' 1 3 C H6 3.500 2.750 4.250 3.680 3.645 3.708 . 0 0 "[ . ]" 1
22 1 3 C H1' 1 4 U H6 3.500 2.750 4.250 4.361 4.253 4.425 0.175 5 0 "[ . ]" 1
23 1 4 U H1' 1 4 U H6 3.500 2.750 4.250 3.654 3.471 3.738 . 0 0 "[ . ]" 1
24 1 4 U H1' 1 5 G H8 3.500 2.750 4.250 4.431 4.383 4.475 0.225 3 0 "[ . ]" 1
25 1 4 U H1' 1 4 U H5 4.500 3.500 5.500 5.465 5.388 5.524 0.024 2 0 "[ . ]" 1
26 1 4 U H2' 1 5 G H8 2.700 . 3.450 2.071 1.936 2.287 0.014 1 0 "[ . ]" 1
27 1 4 U H1' 1 4 U H2' 2.700 . 3.450 2.619 2.446 2.799 . 0 0 "[ . ]" 1
28 1 4 U H3' 1 4 U H6 2.700 . 3.450 2.912 2.386 3.422 . 0 0 "[ . ]" 1
29 1 4 U H3' 1 5 G H8 3.500 2.750 4.250 3.431 2.702 4.073 0.048 6 0 "[ . ]" 1
30 1 4 U H1' 1 4 U H3' 3.500 2.750 4.250 3.719 3.621 3.822 . 0 0 "[ . ]" 1
31 1 4 U H4' 1 4 U H6 4.500 3.500 5.500 4.212 3.976 4.434 . 0 0 "[ . ]" 1
32 1 4 U H1' 1 4 U H4' 3.500 2.750 4.250 3.348 2.942 3.719 . 0 0 "[ . ]" 1
33 1 5 G H1' 1 5 G H8 3.500 2.750 4.250 3.736 3.683 3.798 . 0 0 "[ . ]" 1
34 1 5 G H1' 1 6 G H8 2.700 . 3.450 2.374 2.204 2.713 . 0 0 "[ . ]" 1
35 1 5 G H2' 1 5 G H8 2.700 . 3.450 2.336 2.211 2.491 . 0 0 "[ . ]" 1
36 1 5 G H2' 1 6 G H8 4.500 3.750 5.500 3.862 3.711 4.038 0.039 7 0 "[ . ]" 1
37 1 5 G H1' 1 5 G H2' 3.500 2.750 4.250 2.929 2.866 2.967 . 0 0 "[ . ]" 1
38 1 5 G H3' 1 5 G H8 3.500 2.750 4.250 4.302 4.211 4.346 0.096 2 0 "[ . ]" 1
39 1 5 G H1' 1 5 G H3' 4.500 3.500 5.500 3.778 3.711 3.834 . 0 0 "[ . ]" 1
40 1 5 G H4' 1 5 G H8 4.500 3.500 5.500 4.401 4.185 4.538 . 0 0 "[ . ]" 1
41 1 5 G H1' 1 5 G H4' 3.500 2.750 4.250 3.553 3.344 3.667 . 0 0 "[ . ]" 1
42 1 5 G H4' 1 6 G H8 4.500 3.500 5.500 5.179 4.319 5.574 0.074 5 0 "[ . ]" 1
43 1 6 G H1' 1 6 G H8 3.500 2.750 4.250 3.639 3.237 3.852 . 0 0 "[ . ]" 1
44 1 6 G H1' 1 7 A H8 3.500 2.750 4.250 4.305 4.154 4.423 0.173 2 0 "[ . ]" 1
45 1 6 G H1' 1 6 G H2' . 2.750 3.450 2.921 2.745 3.047 0.005 2 0 "[ . ]" 1
46 1 6 G H2' 1 6 G H8 4.500 3.500 5.500 3.842 3.506 4.646 . 0 0 "[ . ]" 1
47 1 6 G H2' 1 7 A H8 3.500 2.750 4.250 2.604 2.536 2.645 0.214 6 0 "[ . ]" 1
48 1 6 G H3' 1 6 G H8 3.500 2.750 4.250 3.393 3.021 4.154 . 0 0 "[ . ]" 1
49 1 6 G H3' 1 7 A H8 4.500 3.500 5.500 4.192 3.393 4.520 0.107 5 0 "[ . ]" 1
50 1 6 G H1' 1 6 G H3' 4.500 3.500 5.500 3.740 3.703 3.790 . 0 0 "[ . ]" 1
51 1 6 G H4' 1 6 G H8 4.500 3.500 5.500 4.653 4.474 4.789 . 0 0 "[ . ]" 1
52 1 6 G H1' 1 6 G H4' 3.500 2.750 4.250 2.926 2.741 3.192 0.009 7 0 "[ . ]" 1
53 1 6 G H3' 1 6 G H4' 3.500 2.750 4.250 3.063 3.029 3.092 . 0 0 "[ . ]" 1
54 1 7 A H1' 1 7 A H8 4.500 3.500 5.500 3.582 3.433 3.790 0.067 6 0 "[ . ]" 1
55 1 7 A H1' 1 8 C H6 4.500 3.500 5.500 5.272 5.066 5.504 0.004 6 0 "[ . ]" 1
56 1 7 A H2' 1 7 A H8 3.500 2.750 4.250 4.209 3.996 4.282 0.032 3 0 "[ . ]" 1
57 1 7 A H2' 1 8 C H6 3.500 2.750 4.250 2.807 2.631 3.311 0.119 6 0 "[ . ]" 1
58 1 7 A H1' 1 7 A H2' 2.700 . 3.450 2.811 2.710 2.951 . 0 0 "[ . ]" 1
59 1 7 A H3' 1 7 A H8 3.500 2.750 4.250 3.430 3.049 3.950 . 0 0 "[ . ]" 1
60 1 7 A H3' 1 8 C H6 3.500 2.750 4.250 3.176 2.721 3.905 0.029 4 0 "[ . ]" 1
61 1 7 A H1' 1 7 A H3' 3.500 2.750 4.250 3.738 3.665 3.799 . 0 0 "[ . ]" 1
62 1 7 A H4' 1 7 A H8 4.500 3.500 5.500 4.500 4.304 4.674 . 0 0 "[ . ]" 1
63 1 7 A H1' 1 7 A H4' 3.500 2.750 4.250 3.222 2.849 3.518 . 0 0 "[ . ]" 1
64 1 7 A H2' 1 8 C H5 4.500 3.500 5.500 4.672 4.220 5.368 . 0 0 "[ . ]" 1
65 1 8 C H2' 1 8 C H5 4.500 3.500 5.500 5.283 4.819 5.533 0.033 3 0 "[ . ]" 1
66 1 7 A H2 1 8 C H1' 2.700 . 3.450 3.089 2.674 3.402 . 0 0 "[ . ]" 1
67 1 8 C H1' 1 8 C H6 3.500 2.750 4.250 3.688 3.528 3.797 . 0 0 "[ . ]" 1
68 1 8 C H1' 1 9 U H6 3.500 2.750 4.250 4.418 4.342 4.468 0.218 7 0 "[ . ]" 1
69 1 8 C H1' 1 8 C H2' 2.700 . 3.450 2.676 2.515 2.879 . 0 0 "[ . ]" 1
70 1 8 C H2' 1 8 C H6 3.500 2.750 4.250 3.743 3.262 3.959 . 0 0 "[ . ]" 1
71 1 8 C H2' 1 9 U H6 2.700 . 3.450 1.924 1.858 1.986 0.092 3 0 "[ . ]" 1
72 1 8 C H3' 1 8 C H6 3.500 2.750 4.250 3.353 3.003 4.089 . 0 0 "[ . ]" 1
73 1 8 C H3' 1 9 U H6 3.500 2.750 4.250 2.971 2.665 3.470 0.085 7 0 "[ . ]" 1
74 1 8 C H1' 1 8 C H3' 3.500 2.750 4.500 3.762 3.669 3.817 . 0 0 "[ . ]" 1
75 1 8 C H4' 1 8 C H6 4.500 3.500 5.500 4.423 4.034 4.672 . 0 0 "[ . ]" 1
76 1 8 C H1' 1 8 C H4' 3.500 2.750 4.250 3.216 2.922 3.616 . 0 0 "[ . ]" 1
77 1 8 C H6 1 9 U H5 4.500 3.500 5.500 3.628 3.454 4.201 0.046 7 0 "[ . ]" 1
78 1 9 U H5 1 10 C H6 4.500 3.500 5.500 4.696 4.261 5.131 . 0 0 "[ . ]" 1
79 1 9 U H1' 1 9 U H6 3.500 2.750 4.250 3.659 3.620 3.686 . 0 0 "[ . ]" 1
80 1 9 U H1' 1 10 C H6 3.500 2.750 4.250 4.364 4.286 4.402 0.152 2 0 "[ . ]" 1
81 1 9 U H2' 1 9 U H6 3.500 2.750 4.250 2.909 2.749 3.112 0.001 2 0 "[ . ]" 1
82 1 9 U H2' 1 10 C H6 3.500 . 4.250 1.991 1.932 2.211 0.068 2 0 "[ . ]" 1
83 1 9 U H1' 1 9 U H2' 2.700 . 3.450 2.843 2.785 2.936 . 0 0 "[ . ]" 1
84 1 9 U H2' 1 9 U H5 3.500 2.750 4.250 4.376 4.336 4.433 0.183 5 0 "[ . ]" 1
85 1 9 U H3' 1 9 U H6 2.700 . 3.700 2.705 2.248 2.956 . 0 0 "[ . ]" 1
86 1 9 U H3' 1 10 C H6 4.500 3.500 5.500 3.709 3.471 4.189 0.029 2 0 "[ . ]" 1
87 1 9 U H1' 1 9 U H3' 3.500 2.750 4.250 3.859 3.756 3.927 . 0 0 "[ . ]" 1
88 1 9 U H1' 1 9 U H4' 3.500 2.750 4.250 2.963 2.759 3.163 . 0 0 "[ . ]" 1
89 1 9 U H4' 1 10 C H6 4.500 3.500 5.500 5.588 5.565 5.611 0.111 3 0 "[ . ]" 1
90 1 10 C H2' 1 10 C H5 4.500 3.500 5.500 5.393 5.146 5.572 0.072 1 0 "[ . ]" 1
91 1 9 U H2' 1 10 C H5 4.500 3.500 5.500 3.666 3.427 4.022 0.073 2 0 "[ . ]" 1
92 1 10 C H1' 1 11 G H8 3.500 2.750 4.250 4.372 4.340 4.404 0.154 5 0 "[ . ]" 1
93 1 10 C H1' 1 10 C H6 3.500 2.750 4.250 3.564 3.463 3.682 . 0 0 "[ . ]" 1
94 1 10 C H1' 1 26 A H2 2.700 . 3.450 3.250 3.007 3.549 0.099 5 0 "[ . ]" 1
95 1 10 C H2' 1 10 C H6 3.500 2.750 4.250 3.996 3.802 4.153 . 0 0 "[ . ]" 1
96 1 10 C H2' 1 11 G H8 2.700 . 3.450 1.904 1.823 1.992 0.127 7 0 "[ . ]" 1
97 1 10 C H1' 1 10 C H2' 2.700 . 3.450 2.586 2.538 2.668 . 0 0 "[ . ]" 1
98 1 10 C H3' 1 10 C H6 3.500 2.750 4.250 2.883 2.675 3.358 0.075 7 0 "[ . ]" 1
99 1 10 C H3' 1 11 G H8 2.700 . 3.450 2.475 2.110 2.804 . 0 0 "[ . ]" 1
100 1 10 C H1' 1 10 C H3' 3.500 2.750 4.250 3.669 3.615 3.796 . 0 0 "[ . ]" 1
101 1 10 C H4' 1 10 C H6 3.500 2.750 4.250 4.143 4.028 4.271 0.021 1 0 "[ . ]" 1
102 1 10 C H1' 1 10 C H4' 3.500 2.750 4.250 3.528 3.343 3.664 . 0 0 "[ . ]" 1
103 1 11 G H1' 1 11 G H8 3.500 2.750 4.250 3.792 3.668 3.869 . 0 0 "[ . ]" 1
104 1 11 G H1' 1 12 U H6 3.500 2.750 4.250 4.386 4.326 4.443 0.193 6 0 "[ . ]" 1
105 1 11 G H1' 1 11 G H2' 2.700 . 3.450 2.546 2.457 2.792 . 0 0 "[ . ]" 1
106 1 11 G H2' 1 11 G H8 3.500 2.500 4.500 4.406 4.192 4.528 0.028 5 0 "[ . ]" 1
107 1 11 G H2' 1 12 U H6 2.700 . 3.700 1.960 1.926 2.013 0.024 3 0 "[ . ]" 1
108 1 11 G H3' 1 11 G H8 3.500 2.750 4.250 3.567 3.212 3.856 . 0 0 "[ . ]" 1
109 1 11 G H3' 1 12 U H6 3.500 2.500 4.500 2.506 2.448 2.749 0.052 7 0 "[ . ]" 1
110 1 11 G H1' 1 11 G H3' 3.500 2.500 4.500 3.736 3.600 3.803 . 0 0 "[ . ]" 1
111 1 11 G H1' 1 11 G H4' 2.700 . 3.700 3.389 2.804 3.557 . 0 0 "[ . ]" 1
112 1 11 G H4' 1 11 G H8 3.500 2.500 5.000 4.540 4.451 4.700 . 0 0 "[ . ]" 1
113 1 11 G H4' 1 12 U H6 3.500 2.500 5.000 4.866 4.703 5.108 0.108 1 0 "[ . ]" 1
114 1 11 G H8 1 12 U H5 4.500 3.500 5.500 3.968 3.446 4.712 0.054 1 0 "[ . ]" 1
115 1 11 G H2' 1 12 U H5 3.500 2.500 4.500 3.532 3.231 3.967 . 0 0 "[ . ]" 1
116 1 12 U H1' 1 12 U H6 3.500 2.750 4.250 3.585 3.458 3.708 . 0 0 "[ . ]" 1
117 1 12 U H1' 1 13 A H8 3.500 2.750 4.250 4.330 4.291 4.382 0.132 7 0 "[ . ]" 1
118 1 12 U H1' 1 12 U H2' 2.700 . 3.450 2.723 2.497 2.880 . 0 0 "[ . ]" 1
119 1 12 U H2' 1 12 U H6 2.700 . 4.200 3.802 3.402 4.239 0.039 4 0 "[ . ]" 1
120 1 12 U H2' 1 13 A H8 2.700 . 3.450 1.913 1.888 1.951 0.062 6 0 "[ . ]" 1
121 1 12 U H1' 1 12 U H3' 3.500 2.750 4.250 3.797 3.689 3.882 . 0 0 "[ . ]" 1
122 1 12 U H3' 1 12 U H6 2.700 . 3.450 3.166 3.028 3.322 . 0 0 "[ . ]" 1
123 1 12 U H3' 1 13 A H8 3.500 2.750 4.250 3.287 2.742 3.621 0.008 4 0 "[ . ]" 1
124 1 12 U H4' 1 12 U H6 3.500 2.750 5.000 4.190 4.027 4.449 . 0 0 "[ . ]" 1
125 1 12 U H4' 1 13 A H8 4.500 3.500 5.500 5.439 5.275 5.548 0.048 1 0 "[ . ]" 1
126 1 12 U H1' 1 12 U H4' 2.700 . 4.200 3.355 3.144 3.560 . 0 0 "[ . ]" 1
127 1 13 A H1' 1 13 A H8 3.500 2.750 4.250 3.690 3.546 3.824 . 0 0 "[ . ]" 1
128 1 13 A H1' 1 14 C H6 3.500 2.750 4.250 4.353 4.328 4.414 0.164 3 0 "[ . ]" 1
129 1 13 A H1' 1 21 A H2 3.500 2.750 4.250 3.388 2.734 4.080 0.016 7 0 "[ . ]" 1
130 1 13 A H1' 1 14 C H5 4.500 3.500 5.500 5.504 5.279 5.601 0.101 1 0 "[ . ]" 1
131 1 13 A H2' 1 13 A H8 3.500 2.750 4.250 3.986 3.832 4.303 0.053 4 0 "[ . ]" 1
132 1 13 A H2' 1 14 C H6 2.700 . 3.450 1.924 1.872 2.166 0.078 1 0 "[ . ]" 1
133 1 13 A H1' 1 13 A H2' 2.700 . 3.450 2.572 2.501 2.654 . 0 0 "[ . ]" 1
134 1 13 A H3' 1 13 A H8 2.700 . 3.450 3.019 2.768 3.481 0.031 3 0 "[ . ]" 1
135 1 13 A H3' 1 14 C H6 3.500 2.750 4.250 2.755 2.672 2.854 0.078 3 0 "[ . ]" 1
136 1 13 A H1' 1 13 A H3' 3.500 2.750 4.250 3.718 3.678 3.769 . 0 0 "[ . ]" 1
137 1 13 A H4' 1 13 A H8 4.500 3.500 5.500 4.365 4.227 4.448 . 0 0 "[ . ]" 1
138 1 13 A H4' 1 14 C H6 4.500 3.500 5.500 5.182 5.002 5.287 . 0 0 "[ . ]" 1
139 1 13 A H1' 1 13 A H4' 3.500 2.750 4.250 3.438 3.385 3.495 . 0 0 "[ . ]" 1
140 1 14 C H1' 1 14 C H6 3.500 2.750 4.250 3.562 3.467 3.609 . 0 0 "[ . ]" 1
141 1 14 C H5 1 15 U H5 3.500 2.750 4.250 4.239 4.141 4.310 0.060 3 0 "[ . ]" 1
142 1 13 A H2' 1 14 C H5 3.500 2.750 4.250 3.754 3.438 4.132 . 0 0 "[ . ]" 1
143 1 14 C H1' 1 15 U H6 3.500 2.750 4.250 4.336 4.305 4.359 0.109 7 0 "[ . ]" 1
144 1 13 A H2 1 14 C H1' 2.700 . 3.450 3.171 2.731 3.581 0.131 5 0 "[ . ]" 1
145 1 14 C H1' 1 15 U H5 3.500 2.750 4.250 4.926 4.900 4.968 0.718 3 7 [**+**-*] 1
146 1 14 C H2' 1 14 C H6 3.500 2.750 4.250 4.203 3.947 4.273 0.023 5 0 "[ . ]" 1
147 1 14 C H2' 1 15 U H6 2.700 . 3.450 1.942 1.922 2.001 0.028 6 0 "[ . ]" 1
148 1 14 C H1' 1 14 C H2' 2.700 . 3.450 2.526 2.482 2.581 . 0 0 "[ . ]" 1
149 1 14 C H3' 1 14 C H5 4.500 3.500 5.500 4.656 4.577 4.811 . 0 0 "[ . ]" 1
150 1 14 C H1' 1 14 C H3' 3.500 2.750 4.250 3.611 3.537 3.742 . 0 0 "[ . ]" 1
151 1 14 C H3' 1 15 U H5 3.500 2.750 4.250 1.912 1.877 1.927 0.873 2 7 [*+**-**] 1
152 1 14 C H3' 1 14 C H6 2.700 . 3.450 2.810 2.713 3.027 . 0 0 "[ . ]" 1
153 1 14 C H3' 1 15 U H6 3.500 2.750 4.250 2.695 2.654 2.737 0.096 5 0 "[ . ]" 1
154 1 14 C H1' 1 14 C H4' 2.700 . 3.700 3.385 3.236 3.554 . 0 0 "[ . ]" 1
155 1 14 C H4' 1 14 C H6 3.500 2.750 4.250 4.291 4.228 4.328 0.078 1 0 "[ . ]" 1
156 1 14 C H4' 1 15 U H6 3.500 2.500 4.500 4.655 4.629 4.690 0.190 6 0 "[ . ]" 1
157 1 14 C H6 1 15 U H5 4.500 3.500 5.500 3.442 3.381 3.470 0.119 5 0 "[ . ]" 1
158 1 14 C H2' 1 15 U H5 3.500 2.750 4.250 3.464 3.357 3.581 . 0 0 "[ . ]" 1
159 1 15 U H3' 1 15 U H5 3.500 2.750 4.250 4.296 4.119 4.385 0.135 2 0 "[ . ]" 1
160 1 15 U H2' 1 15 U H5 4.500 3.500 5.500 5.157 4.908 5.306 . 0 0 "[ . ]" 1
161 1 15 U H1' 1 15 U H6 2.700 . 3.450 3.487 3.462 3.515 0.065 3 0 "[ . ]" 1
162 1 15 U H1' 1 16 U H6 4.500 3.500 5.500 4.867 4.694 4.980 . 0 0 "[ . ]" 1
163 1 15 U H1' 1 17 C H5 3.500 2.750 4.250 4.308 4.273 4.331 0.081 1 0 "[ . ]" 1
164 1 15 U H1' 1 15 U H2' 2.700 . 3.450 2.575 2.467 2.826 . 0 0 "[ . ]" 1
165 1 15 U H2' 1 17 C H5 2.700 . 3.450 1.983 1.878 2.096 . 0 0 "[ . ]" 1
166 1 15 U H2' 1 16 U H3' 3.500 2.500 4.250 4.304 4.210 4.349 0.099 1 0 "[ . ]" 1
167 1 15 U H2' 1 15 U H4' 3.500 2.500 4.500 3.811 3.756 3.907 . 0 0 "[ . ]" 1
168 1 15 U H2' 1 15 U H3' 2.700 . 3.450 2.212 2.082 2.271 . 0 0 "[ . ]" 1
169 1 15 U H2' 1 15 U H6 2.700 . 3.450 3.635 3.509 3.699 0.249 7 0 "[ . ]" 1
170 1 15 U H2' 1 16 U H6 4.500 3.500 5.500 3.788 3.465 4.164 0.035 5 0 "[ . ]" 1
171 1 15 U H1' 1 15 U H3' 2.700 . 3.450 3.534 3.519 3.577 0.127 3 0 "[ . ]" 1
172 1 15 U H3' 1 17 C H5 3.500 2.750 4.250 3.598 3.096 3.866 . 0 0 "[ . ]" 1
173 1 15 U H3' 1 15 U H6 2.700 . 3.450 2.476 2.397 2.579 . 0 0 "[ . ]" 1
174 1 15 U H1' 1 15 U H4' 3.500 2.750 4.500 3.428 3.213 3.490 . 0 0 "[ . ]" 1
175 1 15 U H4' 1 16 U H5 3.500 2.750 4.250 2.765 2.696 2.919 0.054 3 0 "[ . ]" 1
176 1 15 U H4' 1 15 U H6 3.500 2.750 4.250 4.020 3.956 4.071 . 0 0 "[ . ]" 1
177 1 15 U H4' 1 16 U H6 4.500 3.500 5.500 3.662 3.485 4.086 0.015 2 0 "[ . ]" 1
178 1 15 U H3' 1 16 U H6 3.500 2.750 4.250 4.337 4.314 4.390 0.140 3 0 "[ . ]" 1
179 1 16 U H1' 1 16 U H6 2.700 . 3.450 3.576 3.534 3.609 0.159 3 0 "[ . ]" 1
180 1 16 U H1' 1 18 G H8 4.500 3.500 5.500 5.459 4.937 5.598 0.098 5 0 "[ . ]" 1
181 1 16 U H1' 1 16 U H2' 2.700 . 3.450 2.974 2.935 3.000 . 0 0 "[ . ]" 1
182 1 16 U H2' 1 16 U H5 3.500 2.750 4.250 4.299 4.291 4.319 0.069 4 0 "[ . ]" 1
183 1 16 U H2' 1 16 U H6 2.700 . 3.450 2.060 1.886 2.297 . 0 0 "[ . ]" 1
184 1 16 U H2' 1 17 C H6 3.500 2.750 4.250 3.463 3.230 3.787 . 0 0 "[ . ]" 1
185 1 16 U H3' 1 17 C H6 2.700 . 3.450 1.900 1.763 1.979 . 0 0 "[ . ]" 1
186 1 16 U H3' 1 16 U H6 3.500 2.750 4.250 4.228 4.002 4.310 0.060 5 0 "[ . ]" 1
187 1 16 U H1' 1 16 U H3' 2.700 . 3.450 3.577 3.538 3.628 0.178 3 0 "[ . ]" 1
188 1 16 U H3' 1 17 C H1' 3.500 2.500 4.500 4.615 4.574 4.662 0.162 7 0 "[ . ]" 1
189 1 16 U H3' 1 17 C H5'' 3.500 2.750 4.250 4.299 4.250 4.345 0.095 3 0 "[ . ]" 1
190 1 16 U H3' 1 17 C H5' 3.500 2.750 4.250 2.810 2.738 2.898 0.012 3 0 "[ . ]" 1
191 1 16 U H2' 1 16 U H3' 2.700 . 3.450 2.408 2.305 2.469 . 0 0 "[ . ]" 1
192 1 16 U H3' 1 16 U H4' 2.700 . 3.450 2.736 2.658 2.806 . 0 0 "[ . ]" 1
193 1 16 U H3' 1 17 C H5 2.700 . 3.450 3.348 3.162 3.532 0.082 2 0 "[ . ]" 1
194 1 16 U H1' 1 16 U H4' 2.700 . 3.450 3.429 3.379 3.472 0.022 2 0 "[ . ]" 1
195 1 16 U H4' 1 16 U H6 4.500 3.500 5.500 4.553 4.231 4.895 . 0 0 "[ . ]" 1
196 1 16 U H4' 1 17 C H6 3.500 2.750 4.250 3.757 3.669 3.824 . 0 0 "[ . ]" 1
197 1 16 U H4' 1 17 C H1' 4.500 3.500 5.500 6.590 6.524 6.731 1.231 3 7 [**+***-] 1
198 1 16 U H6 1 17 C H5 4.500 3.500 5.500 4.317 3.970 4.811 . 0 0 "[ . ]" 1
199 1 17 C H1' 1 17 C H6 2.700 . 3.450 3.414 3.317 3.487 0.037 6 0 "[ . ]" 1
200 1 17 C H2' 1 17 C H6 2.700 . 3.450 2.835 2.624 3.011 . 0 0 "[ . ]" 1
201 1 17 C H1' 1 17 C H2' 2.700 . 3.450 2.975 2.939 3.072 . 0 0 "[ . ]" 1
202 1 17 C H2' 1 17 C H5 3.500 2.750 4.250 4.445 4.365 4.490 0.240 4 0 "[ . ]" 1
203 1 17 C H2' 1 17 C H3' 2.700 . 3.450 2.354 2.247 2.434 . 0 0 "[ . ]" 1
204 1 17 C H3' 1 17 C H6 3.500 2.750 4.250 4.333 4.218 4.459 0.209 5 0 "[ . ]" 1
205 1 17 C H1' 1 17 C H3' 3.500 2.750 4.250 3.761 3.609 3.866 . 0 0 "[ . ]" 1
206 1 17 C H3' 1 17 C H4' 2.700 . 3.450 2.992 2.888 3.055 . 0 0 "[ . ]" 1
207 1 17 C H1' 1 17 C H4' 3.500 2.750 4.250 2.730 2.686 2.837 0.064 6 0 "[ . ]" 1
208 1 17 C H4' 1 17 C H5' 2.700 . 3.450 2.503 2.443 2.649 . 0 0 "[ . ]" 1
209 1 18 G H1' 1 18 G H8 2.700 . 3.450 2.587 2.374 2.981 . 0 0 "[ . ]" 1
210 1 18 G H2' 1 18 G H8 3.500 2.750 4.250 3.090 2.726 3.856 0.024 3 0 "[ . ]" 1
211 1 18 G H2' 1 19 G H8 3.500 . 4.250 3.428 2.032 4.272 0.022 5 0 "[ . ]" 1
212 1 18 G H1' 1 18 G H2' 2.700 . 3.450 2.776 2.651 2.923 . 0 0 "[ . ]" 1
213 1 18 G H2' 1 18 G H3' 2.700 . 3.450 2.298 2.027 2.595 . 0 0 "[ . ]" 1
214 1 18 G H3' 1 19 G H8 3.500 2.750 4.250 2.497 2.424 2.537 0.326 7 0 "[ . ]" 1
215 1 18 G H1' 1 18 G H3' 3.500 . 4.250 3.679 3.512 3.858 . 0 0 "[ . ]" 1
216 1 18 G H3' 1 18 G H4' 2.700 . 3.450 2.842 2.677 3.080 . 0 0 "[ . ]" 1
217 1 18 G H4' 1 19 G H8 2.700 . 4.200 4.511 4.410 4.625 0.425 2 0 "[ . ]" 1
218 1 18 G H4' 1 18 G H8 4.500 3.500 5.500 5.542 5.423 5.590 0.090 5 0 "[ . ]" 1
219 1 18 G H1' 1 18 G H4' 2.700 . 3.450 3.380 3.080 3.491 0.041 7 0 "[ . ]" 1
220 1 19 G H1' 1 19 G H8 3.500 2.750 4.250 3.670 3.333 3.892 . 0 0 "[ . ]" 1
221 1 19 G H1' 1 20 U H6 3.500 2.750 4.250 4.413 4.345 4.461 0.211 2 0 "[ . ]" 1
222 1 18 G H3' 1 19 G H1' 3.500 2.750 4.250 4.256 3.948 4.508 0.258 2 0 "[ . ]" 1
223 1 18 G H1' 1 19 G H1' 4.500 3.000 5.500 5.054 4.086 5.541 0.041 5 0 "[ . ]" 1
224 1 18 G H2' 1 19 G H1' 3.500 2.750 4.250 3.395 2.719 4.125 0.031 2 0 "[ . ]" 1
225 1 19 G H2' 1 19 G H8 4.500 3.500 5.500 4.202 3.926 4.381 . 0 0 "[ . ]" 1
226 1 19 G H2' 1 20 U H6 2.700 . 3.450 1.878 1.828 1.935 . 0 0 "[ . ]" 1
227 1 19 G H2' 1 20 U H5 2.700 . 3.700 3.287 2.910 3.617 . 0 0 "[ . ]" 1
228 1 19 G H3' 1 19 G H8 3.500 2.750 4.250 3.328 3.067 3.539 . 0 0 "[ . ]" 1
229 1 19 G H3' 1 20 U H6 3.500 2.750 4.500 2.722 2.658 2.862 0.092 4 0 "[ . ]" 1
230 1 19 G H8 1 20 U H5 4.500 3.500 5.500 4.309 4.028 4.805 . 0 0 "[ . ]" 1
231 1 20 U H1' 1 20 U H6 3.500 2.750 4.250 3.521 3.418 3.618 . 0 0 "[ . ]" 1
232 1 20 U H1' 1 21 A H8 3.500 2.750 4.250 4.278 4.175 4.373 0.123 2 0 "[ . ]" 1
233 1 20 U H2' 1 20 U H6 3.500 2.750 4.250 4.001 3.602 4.273 0.023 1 0 "[ . ]" 1
234 1 20 U H2' 1 21 A H8 2.700 . 3.450 1.913 1.717 2.098 . 0 0 "[ . ]" 1
235 1 20 U H1' 1 20 U H2' 2.700 . 3.450 2.725 2.662 2.870 . 0 0 "[ . ]" 1
236 1 20 U H3' 1 20 U H6 2.700 . 3.700 3.101 2.736 3.356 . 0 0 "[ . ]" 1
237 1 20 U H3' 1 21 A H8 3.500 2.750 4.250 3.062 2.654 3.522 0.096 4 0 "[ . ]" 1
238 1 20 U H1' 1 20 U H3' 3.500 2.750 4.500 3.792 3.718 3.872 . 0 0 "[ . ]" 1
239 1 20 U H4' 1 20 U H6 4.500 3.500 5.500 4.176 3.926 4.333 . 0 0 "[ . ]" 1
240 1 20 U H1' 1 20 U H4' 3.500 2.500 4.500 3.431 3.263 3.624 . 0 0 "[ . ]" 1
241 1 21 A H1' 1 21 A H8 3.500 2.750 4.250 3.618 3.458 3.777 . 0 0 "[ . ]" 1
242 1 21 A H1' 1 22 C H6 3.500 2.750 4.250 4.158 3.868 4.269 0.019 4 0 "[ . ]" 1
243 1 13 A H2 1 21 A H1' 2.700 . 3.450 3.192 2.563 3.516 0.066 5 0 "[ . ]" 1
244 1 21 A H1' 1 22 C H5 4.500 3.500 5.500 4.482 4.202 4.967 . 0 0 "[ . ]" 1
245 1 21 A H2' 1 21 A H8 4.500 3.500 5.500 4.119 3.745 4.546 . 0 0 "[ . ]" 1
246 1 21 A H2' 1 22 C H6 2.700 . 3.450 1.817 1.786 1.880 . 0 0 "[ . ]" 1
247 1 21 A H1' 1 21 A H2' 2.700 . 3.450 2.596 2.453 2.744 . 0 0 "[ . ]" 1
248 1 21 A H3' 1 21 A H8 3.500 2.750 4.250 3.223 2.894 3.511 . 0 0 "[ . ]" 1
249 1 21 A H3' 1 22 C H6 3.500 2.750 4.250 3.086 2.651 3.570 0.099 5 0 "[ . ]" 1
250 1 21 A H1' 1 21 A H3' 3.500 2.750 4.250 3.737 3.649 3.821 . 0 0 "[ . ]" 1
251 1 21 A H4' 1 21 A H8 4.500 3.500 5.500 4.309 4.132 4.444 . 0 0 "[ . ]" 1
252 1 22 C H1' 1 22 C H6 3.500 2.750 4.250 3.457 3.360 3.556 . 0 0 "[ . ]" 1
253 1 21 A H2 1 22 C H1' 2.700 . 3.450 3.466 3.077 3.588 0.138 6 0 "[ . ]" 1
254 1 22 C H2' 1 22 C H6 3.500 2.750 4.250 3.940 3.800 4.035 . 0 0 "[ . ]" 1
255 1 22 C H2' 1 25 G H8 3.500 2.500 4.500 4.202 3.716 4.528 0.028 6 0 "[ . ]" 1
256 1 22 C H1' 1 22 C H2' 2.700 . 3.450 2.852 2.779 2.941 . 0 0 "[ . ]" 1
257 1 22 C H2' 1 22 C H5 4.500 3.500 5.500 5.470 5.291 5.576 0.076 4 0 "[ . ]" 1
258 1 22 C H3' 1 22 C H6 2.700 . 3.700 3.150 3.015 3.585 . 0 0 "[ . ]" 1
259 1 22 C H1' 1 22 C H3' 3.500 2.500 4.500 3.871 3.720 3.937 . 0 0 "[ . ]" 1
260 1 22 C H1' 1 22 C H4' 3.500 2.500 4.500 3.553 3.210 3.694 . 0 0 "[ . ]" 1
261 1 23 U H1' 1 25 G H8 2.700 . 3.450 3.105 2.808 3.453 0.003 5 0 "[ . ]" 1
262 1 23 U H1' 1 23 U H6 3.500 2.750 4.250 3.719 3.636 3.768 . 0 0 "[ . ]" 1
263 1 23 U H1' 1 26 A H8 4.500 3.500 5.500 4.766 4.386 5.289 . 0 0 "[ . ]" 1
264 1 23 U H1' 1 25 G H3' 3.500 2.750 4.250 2.757 2.681 2.869 0.069 7 0 "[ . ]" 1
265 1 23 U H2' 1 23 U H6 2.700 . 3.450 2.022 1.919 2.230 0.031 5 0 "[ . ]" 1
266 1 23 U H1' 1 23 U H2' 3.500 2.750 4.250 3.072 3.032 3.116 . 0 0 "[ . ]" 1
267 1 23 U H2' 1 23 U H5 3.500 2.750 4.250 4.245 4.211 4.288 0.038 5 0 "[ . ]" 1
268 1 23 U H2' 1 23 U H3' 2.700 . 3.450 2.137 2.041 2.216 . 0 0 "[ . ]" 1
269 1 23 U H3' 1 23 U H6 2.700 . 3.450 3.477 3.385 3.559 0.109 2 0 "[ . ]" 1
270 1 23 U H1' 1 23 U H3' 3.500 2.750 4.250 3.892 3.658 4.003 . 0 0 "[ . ]" 1
271 1 23 U H4' 1 23 U H6 4.500 3.500 5.500 4.612 4.199 4.915 . 0 0 "[ . ]" 1
272 1 23 U H4' 1 25 G H8 3.500 2.750 4.250 3.730 3.347 4.287 0.037 1 0 "[ . ]" 1
273 1 23 U H1' 1 23 U H4' 3.500 2.750 4.250 3.106 2.719 3.487 0.031 4 0 "[ . ]" 1
274 1 24 G H1' 1 24 G H8 2.700 . 3.450 3.544 3.498 3.602 0.152 6 0 "[ . ]" 1
275 1 24 G H2' 1 24 G H8 2.700 . 3.450 2.901 2.193 3.457 0.007 4 0 "[ . ]" 1
276 1 24 G H1' 1 24 G H2' 2.700 . 3.450 3.094 3.051 3.140 . 0 0 "[ . ]" 1
277 1 24 G H3' 1 24 G H8 3.500 2.750 4.250 4.116 4.002 4.327 0.077 5 0 "[ . ]" 1
278 1 24 G H3' 1 25 G H8 4.500 3.500 5.500 4.948 4.444 5.553 0.053 2 0 "[ . ]" 1
279 1 24 G H1' 1 24 G H3' 3.500 2.750 4.250 3.981 3.855 4.171 . 0 0 "[ . ]" 1
280 1 24 G H2' 1 24 G H3' 2.700 . 3.450 2.073 1.938 2.255 . 0 0 "[ . ]" 1
281 1 24 G H4' 1 24 G H8 3.500 2.750 4.250 4.196 3.889 4.359 0.109 1 0 "[ . ]" 1
282 1 24 G H1' 1 24 G H4' 2.700 . 3.450 2.925 2.359 3.460 0.010 6 0 "[ . ]" 1
283 1 24 G H2' 1 24 G H4' 2.700 . 3.450 3.625 3.583 3.652 0.202 2 0 "[ . ]" 1
284 1 24 G H3' 1 24 G H4' 2.700 . 3.450 2.903 2.697 3.006 . 0 0 "[ . ]" 1
285 1 25 G H1' 1 25 G H8 3.500 2.750 4.250 3.729 3.567 3.920 . 0 0 "[ . ]" 1
286 1 25 G H1' 1 26 A H8 3.500 2.750 4.250 4.331 4.287 4.363 0.113 1 0 "[ . ]" 1
287 1 25 G H2' 1 25 G H8 3.500 2.750 4.250 3.769 3.618 4.052 . 0 0 "[ . ]" 1
288 1 25 G H2' 1 26 A H8 2.700 . 3.450 1.958 1.773 2.217 . 0 0 "[ . ]" 1
289 1 25 G H1' 1 25 G H2' 2.700 . 3.450 2.819 2.734 2.917 . 0 0 "[ . ]" 1
290 1 25 G H2' 1 25 G H3' 2.700 . 3.450 2.171 2.018 2.288 . 0 0 "[ . ]" 1
291 1 25 G H3' 1 25 G H8 3.500 2.750 4.250 3.129 2.733 3.485 0.017 3 0 "[ . ]" 1
292 1 25 G H3' 1 26 A H8 3.500 2.750 4.250 3.532 3.056 3.965 . 0 0 "[ . ]" 1
293 1 23 U H1' 1 25 G H2' 3.500 2.750 4.250 4.282 4.237 4.439 0.189 7 0 "[ . ]" 1
294 1 25 G H1' 1 25 G H3' 3.500 2.750 4.250 3.799 3.684 3.855 . 0 0 "[ . ]" 1
295 1 25 G H4' 1 25 G H8 3.500 2.750 4.250 4.318 4.291 4.355 0.105 4 0 "[ . ]" 1
296 1 25 G H1' 1 25 G H4' 3.500 2.750 4.250 3.219 2.896 3.505 . 0 0 "[ . ]" 1
297 1 25 G H3' 1 25 G H4' 3.500 2.750 4.250 3.098 3.075 3.133 . 0 0 "[ . ]" 1
298 1 26 A H1' 1 26 A H8 3.500 2.750 4.250 3.686 3.406 3.842 . 0 0 "[ . ]" 1
299 1 26 A H1' 1 27 G H8 3.500 2.750 4.250 4.363 4.188 4.438 0.188 5 0 "[ . ]" 1
300 1 26 A H1' 1 26 A H2 4.500 3.500 5.500 4.888 4.354 5.374 . 0 0 "[ . ]" 1
301 1 26 A H2' 1 27 G H8 2.700 . 3.450 1.963 1.801 2.101 . 0 0 "[ . ]" 1
302 1 26 A H1' 1 26 A H2' 2.700 . 3.450 2.697 2.464 2.991 . 0 0 "[ . ]" 1
303 1 26 A H1' 1 26 A H4' 3.500 2.750 4.250 3.240 2.751 3.740 . 0 0 "[ . ]" 1
304 1 27 G H1' 1 27 G H8 3.500 2.750 4.250 3.678 3.579 3.754 . 0 0 "[ . ]" 1
305 1 26 A H2 1 27 G H1' 3.500 2.750 4.250 4.189 3.978 4.306 0.056 2 0 "[ . ]" 1
306 1 27 G H2' 1 28 A H8 2.700 . 3.450 1.989 1.882 2.116 . 0 0 "[ . ]" 1
307 1 27 G H2' 1 27 G H8 3.500 2.750 4.250 4.096 3.935 4.254 0.004 6 0 "[ . ]" 1
308 1 27 G H3' 1 27 G H8 3.500 2.750 4.250 3.052 2.677 3.271 0.073 5 0 "[ . ]" 1
309 1 27 G H3' 1 28 A H8 3.500 2.750 4.250 2.976 2.657 3.323 0.093 5 0 "[ . ]" 1
310 1 27 G H1' 1 27 G H3' 3.500 2.750 4.250 3.756 3.630 3.842 . 0 0 "[ . ]" 1
311 1 27 G H4' 1 27 G H8 3.500 2.750 4.250 4.196 4.040 4.309 0.059 6 0 "[ . ]" 1
312 1 27 G H4' 1 28 A H8 4.500 3.500 5.500 5.431 5.080 5.601 0.101 3 0 "[ . ]" 1
313 1 27 G H1' 1 27 G H4' 3.500 2.500 4.500 3.380 3.081 3.642 . 0 0 "[ . ]" 1
314 1 27 G H1' 1 28 A H8 3.500 2.750 4.250 4.376 4.332 4.443 0.193 2 0 "[ . ]" 1
315 1 28 A H1' 1 28 A H8 4.500 3.500 5.500 3.856 3.766 3.945 . 0 0 "[ . ]" 1
316 1 28 A H1' 1 30 A H8 3.500 2.750 4.250 3.378 2.960 3.703 . 0 0 "[ . ]" 1
317 1 28 A H2' 1 28 A H8 3.500 2.750 4.250 2.683 2.571 2.759 0.179 1 0 "[ . ]" 1
318 1 27 G H8 1 28 A H2' 3.500 2.750 4.250 3.028 2.662 3.544 0.088 4 0 "[ . ]" 1
319 1 28 A H1' 1 28 A H2' 4.500 3.000 5.500 3.048 2.975 3.124 0.025 5 0 "[ . ]" 1
320 1 28 A H2' 1 28 A H3' 3.500 2.500 4.500 2.427 2.393 2.463 0.107 1 0 "[ . ]" 1
321 1 27 G H3' 1 28 A H2' 2.700 . 3.450 2.075 1.884 2.362 0.066 5 0 "[ . ]" 1
322 1 28 A H3' 1 28 A H8 3.500 2.750 4.250 4.279 4.063 4.382 0.132 1 0 "[ . ]" 1
323 1 27 G H8 1 28 A H3' 4.500 3.500 5.500 4.761 4.176 5.507 0.007 5 0 "[ . ]" 1
324 1 28 A H1' 1 28 A H3' 3.500 2.750 4.250 3.931 3.870 4.057 . 0 0 "[ . ]" 1
325 1 28 A H1' 1 28 A H4' 4.500 3.500 5.500 3.484 3.423 3.554 0.077 5 0 "[ . ]" 1
326 1 29 A H1' 1 29 A H8 2.700 . 3.450 3.496 3.001 3.690 0.240 4 0 "[ . ]" 1
327 1 29 A H1' 1 29 A H2 4.500 3.500 5.500 4.688 4.121 5.224 . 0 0 "[ . ]" 1
328 1 29 A H2' 1 29 A H8 2.700 . 3.450 3.253 2.063 3.586 0.136 2 0 "[ . ]" 1
329 1 29 A H2 1 29 A H2' 4.500 3.500 5.500 5.285 4.847 5.820 0.320 6 0 "[ . ]" 1
330 1 29 A H1' 1 29 A H2' 3.500 2.750 4.250 2.870 2.769 2.945 . 0 0 "[ . ]" 1
331 1 29 A H3' 1 29 A H8 4.500 3.500 5.500 3.531 3.340 3.923 0.160 4 0 "[ . ]" 1
332 1 29 A H3' 1 30 A H8 4.500 3.500 5.500 4.696 3.878 5.673 0.173 5 0 "[ . ]" 1
333 1 29 A H1' 1 29 A H3' 4.500 3.500 5.500 4.014 3.892 4.142 . 0 0 "[ . ]" 1
334 1 29 A H1' 1 29 A H4' 4.500 3.500 5.500 3.464 3.418 3.562 0.082 7 0 "[ . ]" 1
335 1 30 A H1' 1 31 C H6 4.500 3.500 5.500 5.326 5.096 5.537 0.037 4 0 "[ . ]" 1
336 1 30 A H1' 1 30 A H8 3.500 2.750 4.250 3.568 3.460 3.631 . 0 0 "[ . ]" 1
337 1 28 A H8 1 30 A H1' 3.500 2.750 4.250 4.106 3.855 4.261 0.011 5 0 "[ . ]" 1
338 1 30 A H1' 1 30 A H2' 2.700 . 3.450 3.040 3.004 3.080 . 0 0 "[ . ]" 1
339 1 30 A H2' 1 31 C H6 2.700 . 3.450 2.374 2.139 2.554 . 0 0 "[ . ]" 1
340 1 30 A H2' 1 30 A H8 4.500 3.500 5.500 3.762 3.476 3.932 0.024 5 0 "[ . ]" 1
341 1 30 A H3' 1 30 A H8 3.500 2.750 4.500 4.167 3.625 4.507 0.007 2 0 "[ . ]" 1
342 1 30 A H3' 1 31 C H6 3.500 2.750 4.250 2.746 2.687 2.871 0.063 7 0 "[ . ]" 1
343 1 30 A H1' 1 30 A H3' 3.500 2.750 4.250 4.036 3.997 4.083 . 0 0 "[ . ]" 1
344 1 30 A H4' 1 30 A H8 4.500 3.500 5.500 4.267 4.043 4.455 . 0 0 "[ . ]" 1
345 1 30 A H4' 1 31 C H6 4.500 3.500 5.500 5.508 5.312 5.576 0.076 2 0 "[ . ]" 1
346 1 30 A H1' 1 30 A H4' 3.500 2.500 4.500 3.232 3.029 3.477 . 0 0 "[ . ]" 1
347 1 30 A H8 1 31 C H5 4.500 3.500 5.500 4.461 3.837 5.092 . 0 0 "[ . ]" 1
348 1 30 A H2 1 31 C H1' 2.700 . 3.450 2.927 2.580 3.273 . 0 0 "[ . ]" 1
349 1 31 C H1' 1 31 C H6 3.500 2.500 4.500 3.451 2.817 3.659 . 0 0 "[ . ]" 1
350 1 31 C H2' 1 31 C H6 3.500 2.750 4.250 4.129 3.879 4.314 0.064 3 0 "[ . ]" 1
351 1 31 C H2' 1 32 A H8 2.700 . 3.450 1.957 1.912 2.081 0.038 2 0 "[ . ]" 1
352 1 31 C H1' 1 31 C H2' 2.700 . 3.450 2.709 2.547 2.881 . 0 0 "[ . ]" 1
353 1 31 C H3' 1 31 C H6 3.500 2.750 4.250 3.383 2.910 4.343 0.093 7 0 "[ . ]" 1
354 1 31 C H3' 1 32 A H8 3.500 2.750 4.250 2.791 2.672 3.114 0.078 7 0 "[ . ]" 1
355 1 31 C H1' 1 31 C H3' 3.500 2.750 4.250 3.748 3.613 3.829 . 0 0 "[ . ]" 1
356 1 31 C H1' 1 31 C H4' 3.500 2.750 4.250 3.382 2.732 3.603 0.018 7 0 "[ . ]" 1
357 1 31 C H4' 1 32 A H8 4.500 3.500 5.500 5.346 5.147 5.544 0.044 4 0 "[ . ]" 1
358 1 31 C H4' 1 31 C H6 4.500 3.500 5.500 4.179 4.008 4.330 . 0 0 "[ . ]" 1
359 1 31 C H1' 1 32 A H8 3.500 2.750 4.250 4.330 4.284 4.373 0.123 2 0 "[ . ]" 1
360 1 32 A H1' 1 32 A H8 3.500 2.750 4.250 3.756 3.607 3.850 . 0 0 "[ . ]" 1
361 1 32 A H1' 1 33 G H8 3.500 2.750 4.250 4.358 4.220 4.459 0.209 4 0 "[ . ]" 1
362 1 32 A H2' 1 32 A H8 3.500 2.750 4.250 3.929 3.281 4.277 0.027 1 0 "[ . ]" 1
363 1 32 A H2' 1 33 G H8 2.700 . 3.450 1.993 1.869 2.175 0.081 4 0 "[ . ]" 1
364 1 32 A H1' 1 32 A H2' 2.700 . 3.450 2.717 2.590 2.932 . 0 0 "[ . ]" 1
365 1 32 A H1' 1 32 A H3' 3.500 2.750 4.250 3.736 3.636 3.846 . 0 0 "[ . ]" 1
366 1 32 A H3' 1 32 A H8 3.500 2.500 4.500 3.055 2.691 3.431 . 0 0 "[ . ]" 1
367 1 32 A H3' 1 33 G H8 3.500 2.500 4.500 3.106 2.515 3.973 . 0 0 "[ . ]" 1
368 1 32 A H4' 1 33 G H8 4.500 3.500 5.500 5.350 5.139 5.565 0.065 2 0 "[ . ]" 1
369 1 32 A H1' 1 32 A H4' 3.500 2.500 4.500 3.300 2.743 3.717 . 0 0 "[ . ]" 1
370 1 32 A H2 1 33 G H1' 3.500 2.500 4.250 3.832 3.178 4.308 0.058 7 0 "[ . ]" 1
371 1 33 G H1' 1 33 G H8 4.500 3.500 5.500 3.699 3.491 3.847 0.009 1 0 "[ . ]" 1
372 1 33 G H1' 1 34 C H6 3.500 2.750 4.250 4.395 4.381 4.409 0.159 5 0 "[ . ]" 1
373 1 33 G H2' 1 33 G H8 3.500 2.750 4.250 4.197 4.021 4.276 0.026 1 0 "[ . ]" 1
374 1 33 G H2' 1 34 C H6 2.700 . 3.700 2.052 1.826 2.573 . 0 0 "[ . ]" 1
375 1 33 G H1' 1 33 G H3' 3.500 2.750 4.250 3.774 3.711 3.863 . 0 0 "[ . ]" 1
376 1 33 G H3' 1 33 G H8 3.500 2.750 4.250 3.202 2.823 3.773 . 0 0 "[ . ]" 1
377 1 33 G H3' 1 34 C H6 3.500 . 4.250 3.004 2.642 3.382 . 0 0 "[ . ]" 1
378 1 33 G H4' 1 33 G H8 4.500 3.500 5.500 4.349 4.223 4.411 . 0 0 "[ . ]" 1
379 1 33 G H1' 1 33 G H4' 3.500 2.500 4.500 3.402 3.317 3.492 . 0 0 "[ . ]" 1
380 1 34 C H5 1 35 C H5 3.500 2.750 4.250 3.757 3.170 4.254 0.004 3 0 "[ . ]" 1
381 1 35 C H1' 1 35 C H6 3.500 2.750 4.250 3.757 3.736 3.811 . 0 0 "[ . ]" 1
382 1 35 C H1' 1 35 C H2' 2.700 . 3.450 2.957 2.869 2.998 . 0 0 "[ . ]" 1
383 1 35 C H3' 1 35 C H6 3.500 2.750 4.250 3.207 2.860 3.467 . 0 0 "[ . ]" 1
384 1 35 C H1' 1 35 C H3' 3.500 2.750 4.250 3.845 3.811 3.899 . 0 0 "[ . ]" 1
385 1 35 C H4' 1 35 C H6 4.500 3.500 5.500 4.873 4.303 5.085 . 0 0 "[ . ]" 1
386 1 35 C H1' 1 35 C H4' 3.500 2.750 4.250 2.783 2.678 3.283 0.072 3 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 60
_Distance_constraint_stats_list.Viol_count 67
_Distance_constraint_stats_list.Viol_total 27.293
_Distance_constraint_stats_list.Viol_max 0.223
_Distance_constraint_stats_list.Viol_rms 0.0278
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0093
_Distance_constraint_stats_list.Viol_average_violations_only 0.0582
_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 0.205 0.086 1 0 "[ . ]"
1 2 G 0.205 0.086 1 0 "[ . ]"
1 3 C 0.000 0.000 . 0 "[ . ]"
1 4 U 0.132 0.075 7 0 "[ . ]"
1 5 G 0.570 0.113 1 0 "[ . ]"
1 6 G 0.227 0.113 6 0 "[ . ]"
1 7 A 0.660 0.113 1 0 "[ . ]"
1 8 C 0.239 0.105 2 0 "[ . ]"
1 9 U 0.041 0.021 2 0 "[ . ]"
1 10 C 0.723 0.156 7 0 "[ . ]"
1 11 G 0.723 0.156 7 0 "[ . ]"
1 12 U 0.004 0.004 3 0 "[ . ]"
1 13 A 0.004 0.004 3 0 "[ . ]"
1 14 C 0.000 0.000 . 0 "[ . ]"
1 15 U 0.000 0.000 . 0 "[ . ]"
1 16 U 0.000 0.000 . 0 "[ . ]"
1 17 C 0.000 0.000 . 0 "[ . ]"
1 18 G 0.425 0.223 4 0 "[ . ]"
1 19 G 0.513 0.223 4 0 "[ . ]"
1 20 U 0.207 0.085 7 0 "[ . ]"
1 21 A 0.213 0.085 7 0 "[ . ]"
1 22 C 0.203 0.076 1 0 "[ . ]"
1 23 U 0.083 0.083 3 0 "[ . ]"
1 25 G 0.191 0.083 3 0 "[ . ]"
1 26 A 0.056 0.043 2 0 "[ . ]"
1 27 G 0.476 0.146 5 0 "[ . ]"
1 28 A 0.777 0.146 5 0 "[ . ]"
1 29 A 0.050 0.026 5 0 "[ . ]"
1 30 A 0.444 0.121 4 0 "[ . ]"
1 31 C 0.037 0.037 1 0 "[ . ]"
1 32 A 0.000 0.000 . 0 "[ . ]"
1 33 G 0.157 0.099 3 0 "[ . ]"
1 34 C 0.194 0.099 3 0 "[ . ]"
1 35 C 0.036 0.036 4 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 H8 1 2 G H8 4.500 3.500 5.500 5.296 4.756 5.586 0.086 1 0 "[ . ]" 2
2 1 2 G H8 1 3 C H6 4.500 3.500 5.500 5.084 4.679 5.448 . 0 0 "[ . ]" 2
3 1 3 C H6 1 4 U H6 4.500 3.500 5.500 5.002 4.455 5.450 . 0 0 "[ . ]" 2
4 1 4 U H6 1 5 G H8 4.500 3.500 5.500 5.325 5.061 5.575 0.075 7 0 "[ . ]" 2
5 1 5 G H8 1 6 G H8 4.500 3.500 5.500 5.378 4.969 5.543 0.043 2 0 "[ . ]" 2
6 1 6 G H8 1 7 A H8 4.500 3.500 5.500 4.358 4.083 4.664 . 0 0 "[ . ]" 2
7 1 7 A H8 1 8 C H6 4.500 3.500 5.500 4.970 4.459 5.397 . 0 0 "[ . ]" 2
8 1 8 C H6 1 9 U H6 4.500 3.500 5.500 4.843 4.365 5.390 . 0 0 "[ . ]" 2
9 1 9 U H6 1 10 C H6 4.500 3.500 5.500 4.176 3.868 4.575 . 0 0 "[ . ]" 2
10 1 10 C H6 1 11 G H8 3.500 2.500 4.500 4.603 4.538 4.656 0.156 7 0 "[ . ]" 2
11 1 11 G H8 1 12 U H6 4.500 3.500 5.500 5.151 4.396 5.451 . 0 0 "[ . ]" 2
12 1 12 U H6 1 13 A H8 4.500 3.500 5.500 5.100 4.879 5.364 . 0 0 "[ . ]" 2
13 1 13 A H8 1 14 C H6 4.500 3.500 5.500 4.558 4.231 5.063 . 0 0 "[ . ]" 2
14 1 14 C H6 1 15 U H6 4.500 3.500 5.500 4.769 4.551 4.866 . 0 0 "[ . ]" 2
15 1 16 U H6 1 17 C H6 4.500 3.500 5.500 5.077 4.813 5.319 . 0 0 "[ . ]" 2
16 1 18 G H8 1 19 G H8 4.500 3.500 5.500 5.522 5.232 5.723 0.223 4 0 "[ . ]" 2
17 1 19 G H8 1 20 U H6 4.500 3.500 5.500 5.241 4.774 5.562 0.062 6 0 "[ . ]" 2
18 1 20 U H6 1 21 A H8 4.500 3.500 5.500 4.884 4.297 5.440 . 0 0 "[ . ]" 2
19 1 21 A H8 1 22 C H6 4.500 3.500 5.500 5.162 4.199 5.555 0.055 6 0 "[ . ]" 2
20 1 23 U H6 1 25 G H8 4.500 3.500 5.500 5.169 4.765 5.583 0.083 3 0 "[ . ]" 2
21 1 25 G H8 1 26 A H8 4.500 3.500 5.500 4.747 4.129 5.342 . 0 0 "[ . ]" 2
22 1 26 A H8 1 27 G H8 4.500 3.500 5.500 5.309 4.925 5.543 0.043 2 0 "[ . ]" 2
23 1 27 G H8 1 28 A H8 3.500 2.500 4.500 4.533 4.313 4.646 0.146 5 0 "[ . ]" 2
24 1 28 A H8 1 30 A H8 4.500 3.500 5.500 5.479 5.079 5.621 0.121 4 0 "[ . ]" 2
25 1 30 A H8 1 31 C H6 4.500 3.500 5.500 4.898 4.229 5.537 0.037 1 0 "[ . ]" 2
26 1 31 C H6 1 32 A H8 4.500 3.500 5.500 4.501 4.068 5.198 . 0 0 "[ . ]" 2
27 1 32 A H8 1 33 G H8 4.500 3.500 5.500 4.653 4.219 5.412 . 0 0 "[ . ]" 2
28 1 33 G H8 1 34 C H6 4.500 3.500 5.500 4.881 3.970 5.405 . 0 0 "[ . ]" 2
29 1 34 C H6 1 35 C H6 4.500 3.500 5.500 5.052 4.264 5.536 0.036 4 0 "[ . ]" 2
30 1 22 C H1' 1 25 G H8 4.500 3.500 6.500 6.091 5.411 6.576 0.076 1 0 "[ . ]" 2
31 1 29 A H1' 1 30 A H8 4.500 3.500 6.500 6.159 5.728 6.526 0.026 5 0 "[ . ]" 2
32 1 7 A H1' 1 7 A H2 4.500 3.500 6.500 5.305 5.006 5.610 . 0 0 "[ . ]" 2
33 1 21 A H1' 1 21 A H2 4.500 3.500 6.500 4.859 4.545 5.126 . 0 0 "[ . ]" 2
34 1 13 A H1' 1 13 A H2 4.500 3.500 6.500 4.798 4.635 4.998 . 0 0 "[ . ]" 2
35 1 32 A H1' 1 32 A H2 4.500 3.500 6.500 4.748 4.400 5.155 . 0 0 "[ . ]" 2
36 1 7 A H8 1 8 C H5 4.500 3.500 6.500 4.716 4.400 5.127 . 0 0 "[ . ]" 2
37 1 5 G H1' 1 7 A H8 4.500 3.500 6.500 6.523 6.382 6.613 0.113 1 0 "[ . ]" 2
38 1 20 U H5 1 21 A H8 4.500 3.500 6.500 5.810 5.074 6.585 0.085 7 0 "[ . ]" 2
39 1 12 U H5 1 13 A H8 4.500 3.500 6.500 6.049 5.741 6.432 . 0 0 "[ . ]" 2
40 1 31 C H5 1 32 A H8 4.500 3.500 6.500 5.527 5.023 6.388 . 0 0 "[ . ]" 2
41 1 33 G H8 1 34 C H5 4.500 3.500 6.500 3.578 3.401 3.880 0.099 3 0 "[ . ]" 2
42 1 34 C H5 1 35 C H6 4.500 3.500 6.500 4.465 3.800 5.591 . 0 0 "[ . ]" 2
43 1 8 C H5 1 9 U H6 4.500 3.500 6.500 5.977 5.333 6.511 0.011 5 0 "[ . ]" 2
44 1 5 G H1' 1 6 G H1' 4.500 3.500 6.500 4.770 3.810 5.288 . 0 0 "[ . ]" 2
45 1 6 G H1' 1 7 A H1' 4.500 3.500 6.500 4.863 4.115 6.241 . 0 0 "[ . ]" 2
46 1 7 A H1' 1 8 C H1' 4.500 3.500 6.500 5.994 5.517 6.252 . 0 0 "[ . ]" 2
47 1 7 A H1' 1 8 C H5 4.500 3.500 6.500 6.450 6.220 6.605 0.105 2 0 "[ . ]" 2
48 1 6 G H3' 1 7 A H1' 4.500 3.500 6.500 6.310 5.850 6.613 0.113 6 0 "[ . ]" 2
49 1 17 C H1' 1 17 C H5 4.500 3.500 6.500 5.109 4.959 5.214 . 0 0 "[ . ]" 2
50 1 20 U H1' 1 21 A H1' 4.500 3.500 6.500 5.732 5.325 6.227 . 0 0 "[ . ]" 2
51 1 21 A H1' 1 22 C H1' 4.500 3.500 6.500 5.825 4.953 6.421 . 0 0 "[ . ]" 2
52 1 12 U H1' 1 13 A H1' 4.500 3.500 6.500 5.864 5.336 6.504 0.004 3 0 "[ . ]" 2
53 1 23 U H1' 1 23 U H5 4.500 3.500 6.500 5.523 5.481 5.589 . 0 0 "[ . ]" 2
54 1 32 A H1' 1 33 G H1' 4.500 3.500 6.500 5.506 4.668 6.179 . 0 0 "[ . ]" 2
55 1 9 U H1' 1 10 C H1' 4.500 3.500 6.500 4.884 4.350 5.506 . 0 0 "[ . ]" 2
56 1 8 C H1' 1 9 U H1' 4.500 3.500 6.500 5.998 5.594 6.521 0.021 2 0 "[ . ]" 2
57 1 9 U H1' 1 9 U H5 4.500 3.500 6.500 5.422 5.368 5.479 . 0 0 "[ . ]" 2
58 1 14 C H1' 1 14 C H5 4.500 3.500 6.500 5.348 5.308 5.376 . 0 0 "[ . ]" 2
59 1 22 C H1' 1 22 C H5 4.500 3.500 6.500 5.280 5.132 5.373 . 0 0 "[ . ]" 2
60 1 12 U H1' 1 12 U H5 4.500 3.500 6.500 5.454 5.347 5.519 . 0 0 "[ . ]" 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 92
_Distance_constraint_stats_list.Viol_count 136
_Distance_constraint_stats_list.Viol_total 230.302
_Distance_constraint_stats_list.Viol_max 0.949
_Distance_constraint_stats_list.Viol_rms 0.1559
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0511
_Distance_constraint_stats_list.Viol_average_violations_only 0.2419
_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 3 C 0.228 0.111 6 0 "[ . ]"
1 4 U 1.532 0.575 6 1 "[ .+ ]"
1 5 G 9.153 0.670 5 5 "[*-**+ ]"
1 6 G 5.006 0.930 4 7 [***+-**]
1 11 G 0.000 0.000 . 0 "[ . ]"
1 21 A 0.009 0.009 1 0 "[ . ]"
1 22 C 5.429 0.945 6 5 "[-* *+*]"
1 23 U 9.262 0.848 3 5 "[**+ * -]"
1 28 A 1.128 0.582 5 1 "[ + ]"
1 29 A 1.153 0.949 3 1 "[ + . ]"
1 30 A 0.000 0.000 . 0 "[ . ]"
2 1 THR 5.382 0.930 4 7 [***+-**]
2 2 ARG 9.452 0.945 6 5 "[-* *+*]"
2 3 GLN 0.036 0.026 7 0 "[ . ]"
2 4 ALA 8.574 0.670 5 5 "[*-**+ ]"
2 6 ARG 6.377 0.848 3 5 "[**+ * -]"
2 7 ASN 0.167 0.066 3 0 "[ . ]"
2 10 ARG 0.099 0.027 3 0 "[ . ]"
2 11 ARG 1.760 0.575 6 1 "[ .+ ]"
2 14 GLU 1.054 0.949 3 1 "[ + . ]"
2 17 ARG 0.000 0.000 . 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 3 C H5 2 11 ARG HD3 3.500 2.750 4.500 3.400 2.739 4.611 0.111 6 0 "[ . ]" 3
2 1 3 C H5 2 11 ARG HD2 3.500 2.750 4.500 4.174 3.237 4.558 0.058 7 0 "[ . ]" 3
3 1 4 U H6 2 11 ARG HD3 4.500 3.500 5.500 5.198 4.587 5.501 0.001 3 0 "[ . ]" 3
4 1 4 U H6 2 11 ARG HD2 4.500 3.500 5.500 4.407 3.808 5.047 . 0 0 "[ . ]" 3
5 1 4 U H5 2 11 ARG HD3 3.500 2.500 4.250 3.267 2.411 3.910 0.089 4 0 "[ . ]" 3
6 1 4 U H5 2 11 ARG HD2 3.500 2.500 4.250 2.651 2.461 3.204 0.039 4 0 "[ . ]" 3
7 1 4 U H5 2 11 ARG QG 4.500 3.500 5.500 3.766 2.925 4.970 0.575 6 1 "[ .+ ]" 3
8 1 5 G H8 2 7 ASN HB3 3.500 2.750 4.250 3.991 3.620 4.266 0.016 3 0 "[ . ]" 3
9 1 5 G H8 2 7 ASN HB2 3.500 2.750 4.250 3.619 3.153 4.112 . 0 0 "[ . ]" 3
10 1 5 G H8 2 4 ALA HA 2.700 . 3.450 3.016 2.845 3.125 . 0 0 "[ . ]" 3
11 1 5 G H8 2 4 ALA MB 3.500 2.500 4.250 3.286 2.953 3.396 . 0 0 "[ . ]" 3
12 1 5 G H1' 2 4 ALA MB 4.500 3.500 5.500 4.258 4.172 4.368 . 0 0 "[ . ]" 3
13 1 5 G H1' 2 1 THR MG 4.500 3.500 6.000 4.335 3.932 4.607 . 0 0 "[ . ]" 3
14 1 5 G H1' 2 4 ALA HA 3.500 2.750 4.250 4.432 4.379 4.555 0.305 2 0 "[ . ]" 3
15 1 5 G H2' 2 4 ALA MB 3.500 2.500 4.500 1.973 1.830 2.028 0.670 5 4 "[*- *+ ]" 3
16 1 5 G H2' 2 4 ALA HA 2.700 . 3.450 1.953 1.871 2.131 0.079 6 0 "[ . ]" 3
17 1 5 G H2' 2 7 ASN HB3 4.500 3.500 5.500 5.402 5.055 5.566 0.066 3 0 "[ . ]" 3
18 1 5 G H2' 2 7 ASN HB2 4.500 3.500 5.500 4.288 3.814 4.663 . 0 0 "[ . ]" 3
19 1 5 G H3' 2 4 ALA MB 2.700 . 3.450 1.993 1.757 2.327 0.193 6 0 "[ . ]" 3
20 1 5 G H3' 2 1 THR MG 4.500 3.500 5.500 3.924 3.211 4.512 0.289 6 0 "[ . ]" 3
21 1 5 G H3' 2 4 ALA HA 3.500 2.500 4.250 3.803 3.321 4.134 . 0 0 "[ . ]" 3
22 1 5 G H4' 2 4 ALA MB 4.500 3.000 5.500 4.059 3.829 4.436 . 0 0 "[ . ]" 3
23 1 5 G H5' 2 4 ALA MB 3.500 2.750 4.250 3.397 2.760 3.597 . 0 0 "[ . ]" 3
24 1 5 G H5'' 2 4 ALA MB 3.500 2.750 4.250 2.311 2.081 2.613 0.669 3 2 "[ -+ . ]" 3
25 1 6 G H8 2 1 THR MG 4.500 3.500 6.500 2.790 2.570 2.993 0.930 4 7 [***+-**] 3
26 1 6 G H8 2 4 ALA MB 4.500 3.500 6.000 4.441 4.077 4.777 . 0 0 "[ . ]" 3
27 1 6 G H8 2 3 GLN QG 4.500 3.500 6.500 5.192 4.261 5.779 . 0 0 "[ . ]" 3
28 1 6 G H8 2 3 GLN HB3 4.500 3.500 6.500 4.425 3.474 6.080 0.026 7 0 "[ . ]" 3
29 1 6 G H8 2 3 GLN HB2 4.500 3.500 6.500 4.586 3.490 6.008 0.010 5 0 "[ . ]" 3
30 1 6 G H1' 2 1 THR MG 4.500 3.500 5.500 4.643 4.541 4.729 . 0 0 "[ . ]" 3
31 1 11 G H1 2 2 ARG QD 4.500 3.500 6.500 4.893 4.518 5.349 . 0 0 "[ . ]" 3
32 1 21 A H1' 2 2 ARG QD 4.500 3.500 6.500 5.952 5.844 6.010 . 0 0 "[ . ]" 3
33 1 22 C H1' 2 2 ARG HD3 4.500 3.500 6.000 5.997 5.812 6.098 0.098 3 0 "[ . ]" 3
34 1 22 C H1' 2 2 ARG HD2 4.500 3.500 6.050 5.088 4.622 6.005 . 0 0 "[ . ]" 3
35 1 22 C H5 2 2 ARG HD3 3.500 2.500 4.250 2.490 2.429 2.573 0.071 2 0 "[ . ]" 3
36 1 22 C H5 2 2 ARG HD2 3.500 2.500 4.250 3.154 2.798 3.690 . 0 0 "[ . ]" 3
37 1 22 C H5 2 2 ARG QG 4.500 3.500 6.500 4.444 4.264 4.610 . 0 0 "[ . ]" 3
38 1 22 C H5 2 2 ARG QB 4.500 3.750 6.500 4.277 3.925 4.592 . 0 0 "[ . ]" 3
39 1 22 C H6 2 2 ARG HD3 4.500 3.000 5.500 3.429 3.146 3.838 . 0 0 "[ . ]" 3
40 1 22 C H6 2 2 ARG HD2 4.500 3.000 5.500 2.997 2.843 3.285 0.157 5 0 "[ . ]" 3
41 1 23 U H6 2 2 ARG QD 4.500 3.500 6.500 4.430 4.320 4.578 . 0 0 "[ . ]" 3
42 1 23 U H6 2 6 ARG HD3 4.500 3.500 6.500 5.297 5.015 5.561 . 0 0 "[ . ]" 3
43 1 23 U H6 2 6 ARG HD2 4.500 3.500 6.500 4.236 4.002 4.739 . 0 0 "[ . ]" 3
44 1 23 U H6 2 6 ARG QG 4.500 3.000 6.500 3.612 3.155 4.907 . 0 0 "[ . ]" 3
45 1 23 U H6 2 6 ARG QB 4.500 2.500 6.500 2.895 2.633 3.161 . 0 0 "[ . ]" 3
46 1 23 U H6 2 2 ARG QG 4.500 3.000 6.500 2.920 2.567 3.130 0.433 1 0 "[ . ]" 3
47 1 23 U H6 2 2 ARG QB 4.500 3.000 6.500 4.842 4.235 5.115 . 0 0 "[ . ]" 3
48 1 23 U H6 2 6 ARG HA 3.500 2.500 4.500 3.730 3.106 4.311 . 0 0 "[ . ]" 3
49 1 23 U H6 2 2 ARG HA 4.500 3.000 6.500 5.210 4.729 6.225 . 0 0 "[ . ]" 3
50 1 23 U H1' 2 6 ARG QB 4.500 3.000 6.500 5.158 4.883 5.388 . 0 0 "[ . ]" 3
51 1 23 U H1' 2 6 ARG QG 4.500 3.000 6.500 4.091 3.229 5.843 . 0 0 "[ . ]" 3
52 1 23 U H1' 2 6 ARG HA 4.500 3.000 6.500 4.702 3.463 5.623 . 0 0 "[ . ]" 3
53 1 23 U H3 2 6 ARG QD 4.500 2.500 6.500 2.912 2.399 3.629 0.101 7 0 "[ . ]" 3
54 1 23 U H3 2 6 ARG QG 4.500 2.500 6.500 3.991 3.470 4.630 . 0 0 "[ . ]" 3
55 1 23 U H3 2 6 ARG QB 4.500 3.000 7.000 4.835 4.516 5.180 . 0 0 "[ . ]" 3
56 1 23 U H5 2 6 ARG HD3 3.500 2.750 4.250 4.197 3.736 4.333 0.083 4 0 "[ . ]" 3
57 1 23 U H5 2 6 ARG HD2 3.500 2.750 4.250 3.382 2.706 4.143 0.044 2 0 "[ . ]" 3
58 1 23 U H5 2 6 ARG QG 3.500 2.500 4.500 3.824 3.665 4.054 . 0 0 "[ . ]" 3
59 1 23 U H5 2 6 ARG QB 3.500 2.500 5.000 2.574 2.354 2.900 0.146 1 0 "[ . ]" 3
60 1 23 U H5 2 2 ARG QD 3.500 2.750 4.500 3.841 3.512 4.133 . 0 0 "[ . ]" 3
61 1 23 U H5 2 2 ARG QG 3.500 2.500 4.500 2.177 1.912 2.919 0.588 5 1 "[ + ]" 3
62 1 23 U H5 2 2 ARG QB 3.500 2.500 5.500 3.221 2.389 3.732 0.111 7 0 "[ . ]" 3
63 1 23 U H2' 2 6 ARG QG 4.500 3.500 6.500 3.393 2.652 5.649 0.848 3 4 "[**+ . -]" 3
64 1 23 U H2' 2 6 ARG QB 4.500 3.500 6.500 3.392 3.034 4.003 0.466 1 0 "[ . ]" 3
65 1 23 U H2' 2 2 ARG QD 4.500 3.500 7.000 6.127 5.941 6.296 . 0 0 "[ . ]" 3
66 1 28 A H2 2 6 ARG QG 4.500 3.500 7.000 4.197 2.918 4.838 0.582 5 1 "[ + ]" 3
67 1 28 A H2 2 6 ARG QB 4.500 3.500 7.000 4.571 4.367 4.846 . 0 0 "[ . ]" 3
68 1 28 A H2 2 3 GLN QG 4.500 3.500 7.000 4.602 3.964 5.595 . 0 0 "[ . ]" 3
69 1 28 A H2 2 3 GLN QB 4.500 3.500 7.000 5.176 4.058 5.739 . 0 0 "[ . ]" 3
70 1 28 A H2 2 6 ARG HD3 4.500 3.500 6.500 3.757 3.376 4.866 0.124 2 0 "[ . ]" 3
71 1 28 A H2 2 6 ARG HD2 4.500 3.500 6.500 5.134 4.831 5.615 . 0 0 "[ . ]" 3
72 1 28 A H2 2 6 ARG HA 4.500 3.500 7.000 6.833 6.418 7.157 0.157 2 0 "[ . ]" 3
73 1 29 A H8 2 14 GLU QB 4.500 3.000 6.500 4.169 3.173 5.739 . 0 0 "[ . ]" 3
74 1 29 A H8 2 14 GLU QG 4.500 3.000 6.500 3.587 3.092 4.393 . 0 0 "[ . ]" 3
75 1 29 A H8 2 10 ARG QD 4.500 3.500 7.000 5.235 4.237 6.232 . 0 0 "[ . ]" 3
76 1 29 A H2 2 11 ARG QD 4.500 3.500 6.500 4.874 4.125 5.617 . 0 0 "[ . ]" 3
77 1 29 A H2 2 14 GLU QB 4.500 3.500 7.000 4.463 3.394 5.337 0.106 4 0 "[ . ]" 3
78 1 29 A H1' 2 10 ARG HD3 4.500 3.500 5.500 4.200 3.473 5.093 0.027 3 0 "[ . ]" 3
79 1 29 A H1' 2 10 ARG HD2 4.500 3.500 5.500 4.729 3.491 5.521 0.021 7 0 "[ . ]" 3
80 1 29 A H1' 2 14 GLU QB 4.500 3.000 7.000 4.548 3.075 5.592 . 0 0 "[ . ]" 3
81 1 29 A H1' 2 14 GLU QG 4.500 3.000 7.000 3.471 2.051 4.255 0.949 3 1 "[ + . ]" 3
82 1 29 A H4' 2 10 ARG HD3 3.500 2.750 4.250 3.823 3.178 4.256 0.006 1 0 "[ . ]" 3
83 1 29 A H4' 2 10 ARG HD2 3.500 2.750 4.250 4.090 3.557 4.262 0.012 1 0 "[ . ]" 3
84 1 30 A H8 2 10 ARG QD 4.500 3.500 7.000 4.739 3.580 5.603 . 0 0 "[ . ]" 3
85 1 23 U H5 2 2 ARG H 4.500 3.500 5.500 5.572 5.492 5.631 0.131 7 0 "[ . ]" 3
86 1 23 U H5 2 2 ARG HE 3.500 2.500 5.500 3.852 3.049 4.794 . 0 0 "[ . ]" 3
87 1 22 C H5 2 2 ARG HE 4.500 3.500 7.000 4.138 3.769 5.069 . 0 0 "[ . ]" 3
88 1 5 G H8 2 7 ASN QD 4.500 3.500 7.000 4.373 3.470 5.000 0.030 2 0 "[ . ]" 3
89 1 29 A H8 2 17 ARG QD 4.500 3.500 7.000 5.793 4.473 6.189 . 0 0 "[ . ]" 3
90 1 6 G H8 2 7 ASN QD 4.500 3.500 7.000 5.028 4.201 5.747 . 0 0 "[ . ]" 3
91 1 22 C H3' 2 2 ARG QD 4.500 3.500 6.500 2.869 2.555 3.574 0.945 6 5 "[-* *+*]" 3
92 1 21 A H2' 2 2 ARG QD 4.500 3.500 6.500 3.894 3.491 4.219 0.009 1 0 "[ . ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 133
_Distance_constraint_stats_list.Viol_count 134
_Distance_constraint_stats_list.Viol_total 169.562
_Distance_constraint_stats_list.Viol_max 0.992
_Distance_constraint_stats_list.Viol_rms 0.0988
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0260
_Distance_constraint_stats_list.Viol_average_violations_only 0.1808
_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
2 1 THR 3.045 0.753 4 3 "[- +.* ]"
2 2 ARG 0.100 0.034 2 0 "[ . ]"
2 3 GLN 6.565 0.992 6 4 "[- **.+ ]"
2 4 ALA 4.322 0.571 3 2 "[ + . -]"
2 5 ARG 0.914 0.390 5 0 "[ . ]"
2 6 ARG 1.974 0.992 6 2 "[ -.+ ]"
2 7 ASN 5.950 0.479 4 0 "[ . ]"
2 8 ARG 3.203 0.479 4 0 "[ . ]"
2 9 ARG 0.350 0.211 3 0 "[ . ]"
2 10 ARG 1.949 0.413 2 0 "[ . ]"
2 11 ARG 1.105 0.552 6 1 "[ .+ ]"
2 12 TRP 3.765 0.691 4 3 "[* +- ]"
2 13 ARG 3.329 0.691 4 3 "[* +- ]"
2 14 GLU 1.407 0.345 5 0 "[ . ]"
2 15 ARG 1.175 0.349 7 0 "[ . ]"
2 16 GLN 0.026 0.024 2 0 "[ . ]"
2 17 ARG 0.411 0.138 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 2 1 THR HA 2 2 ARG H 3.500 2.500 4.250 2.844 2.552 3.660 . 0 0 "[ . ]" 4
2 2 1 THR HB 2 2 ARG H 3.500 2.500 4.250 3.439 2.532 4.001 . 0 0 "[ . ]" 4
3 2 1 THR HB 2 3 GLN H 3.500 2.750 4.250 4.244 3.965 4.348 0.098 6 0 "[ . ]" 4
4 2 1 THR HB 2 4 ALA H 4.500 3.500 5.500 5.006 3.532 5.637 0.137 1 0 "[ . ]" 4
5 2 1 THR HA 2 3 GLN H 4.500 3.500 5.500 4.237 4.074 4.441 . 0 0 "[ . ]" 4
6 2 1 THR MG 2 2 ARG H 3.500 2.500 4.500 3.416 2.498 3.833 0.002 4 0 "[ . ]" 4
7 2 1 THR MG 2 3 GLN H 3.500 2.500 4.500 2.522 1.747 3.731 0.753 4 3 "[- +.* ]" 4
8 2 1 THR HA 2 1 THR MG 3.500 2.500 4.500 3.113 2.099 3.406 0.401 7 0 "[ . ]" 4
9 2 2 ARG HA 2 3 GLN H 3.500 2.750 4.250 3.505 3.398 3.629 . 0 0 "[ . ]" 4
10 2 2 ARG H 2 3 GLN H 3.500 2.500 4.250 2.675 2.466 3.574 0.034 2 0 "[ . ]" 4
11 2 2 ARG H 2 4 ALA H 4.500 3.500 5.500 4.216 3.971 4.496 . 0 0 "[ . ]" 4
12 2 2 ARG HA 2 4 ALA H 4.500 3.500 5.500 3.854 3.495 4.156 0.005 1 0 "[ . ]" 4
13 2 2 ARG HA 2 2 ARG QD 3.500 2.500 4.500 4.047 3.978 4.128 . 0 0 "[ . ]" 4
14 2 2 ARG HA 2 5 ARG QD 3.500 2.500 6.000 5.000 4.614 5.341 . 0 0 "[ . ]" 4
15 2 3 GLN H 2 3 GLN HA 3.500 2.750 4.250 2.795 2.717 2.874 0.033 7 0 "[ . ]" 4
16 2 3 GLN H 2 5 ARG H 4.500 3.500 5.500 4.758 4.352 5.283 . 0 0 "[ . ]" 4
17 2 3 GLN H 2 4 ALA H 2.700 . 3.450 2.777 2.609 2.952 . 0 0 "[ . ]" 4
18 2 3 GLN HA 2 4 ALA H 3.500 2.750 4.250 3.409 3.283 3.632 . 0 0 "[ . ]" 4
19 2 3 GLN HA 2 7 ASN H 4.500 3.500 5.250 4.266 3.616 4.911 . 0 0 "[ . ]" 4
20 2 3 GLN HA 2 6 ARG H 3.500 2.500 4.250 3.100 2.853 3.553 . 0 0 "[ . ]" 4
21 2 3 GLN HA 2 5 ARG H 4.500 3.500 6.500 4.502 4.157 5.085 . 0 0 "[ . ]" 4
22 2 3 GLN QB 2 4 ALA H 4.500 3.000 5.500 3.369 2.953 3.643 0.047 7 0 "[ . ]" 4
23 2 3 GLN QG 2 4 ALA H 4.500 3.500 5.500 4.647 4.025 4.994 . 0 0 "[ . ]" 4
24 2 3 GLN QG 2 6 ARG QD 4.500 3.500 7.000 3.650 2.508 4.975 0.992 6 2 "[ -.+ ]" 4
25 2 3 GLN H 2 3 GLN QG 4.500 3.500 5.500 3.480 2.882 4.119 0.618 3 1 "[ + . ]" 4
26 2 3 GLN H 2 3 GLN QB 3.500 2.500 4.250 2.426 2.259 2.895 0.241 7 0 "[ . ]" 4
27 2 4 ALA H 2 4 ALA HA 3.500 2.750 4.250 2.820 2.702 2.899 0.048 3 0 "[ . ]" 4
28 2 4 ALA H 2 4 ALA MB 3.500 2.750 4.250 2.366 2.179 2.468 0.571 3 2 "[ + . -]" 4
29 2 4 ALA HA 2 5 ARG H 3.500 2.750 4.500 3.604 3.526 3.663 . 0 0 "[ . ]" 4
30 2 4 ALA H 2 5 ARG H 2.700 . 3.450 2.689 2.301 2.981 . 0 0 "[ . ]" 4
31 2 4 ALA MB 2 5 ARG H 3.500 2.500 4.500 2.403 2.110 2.605 0.390 5 0 "[ . ]" 4
32 2 4 ALA HA 2 7 ASN H 4.500 3.500 5.500 3.791 3.494 4.057 0.006 6 0 "[ . ]" 4
33 2 4 ALA HA 2 7 ASN HB3 3.500 2.500 4.500 4.465 4.272 4.593 0.093 4 0 "[ . ]" 4
34 2 4 ALA HA 2 7 ASN HB2 3.500 2.500 4.500 2.986 2.886 3.113 . 0 0 "[ . ]" 4
35 2 5 ARG HA 2 6 ARG H 3.500 2.750 4.250 3.565 3.479 3.716 . 0 0 "[ . ]" 4
36 2 5 ARG H 2 6 ARG H 2.700 . 3.450 2.776 2.460 3.147 . 0 0 "[ . ]" 4
37 2 5 ARG H 2 5 ARG HA 2.700 . 3.450 2.767 2.573 2.836 . 0 0 "[ . ]" 4
38 2 5 ARG HA 2 7 ASN H 4.500 3.500 5.500 4.242 3.493 5.046 0.007 1 0 "[ . ]" 4
39 2 5 ARG HA 2 8 ARG H 3.500 2.750 4.250 3.375 2.914 3.898 . 0 0 "[ . ]" 4
40 2 5 ARG H 2 7 ASN H 4.500 3.500 5.500 4.268 4.016 4.499 . 0 0 "[ . ]" 4
41 2 5 ARG HA 2 5 ARG QD 3.500 2.500 4.500 3.571 2.448 4.127 0.052 5 0 "[ . ]" 4
42 2 6 ARG H 2 6 ARG HA 3.500 2.750 4.250 2.810 2.730 2.890 0.020 5 0 "[ . ]" 4
43 2 6 ARG HA 2 7 ASN H 3.500 2.750 4.250 3.481 3.052 3.675 . 0 0 "[ . ]" 4
44 2 6 ARG H 2 7 ASN H 2.700 . 3.450 2.858 2.681 3.153 . 0 0 "[ . ]" 4
45 2 6 ARG QG 2 7 ASN H 4.500 3.500 6.500 4.110 3.339 4.726 0.161 5 0 "[ . ]" 4
46 2 6 ARG QD 2 7 ASN H 4.500 3.500 6.500 5.068 4.043 5.723 . 0 0 "[ . ]" 4
47 2 6 ARG H 2 6 ARG QG 3.500 2.500 4.500 3.895 3.658 4.101 . 0 0 "[ . ]" 4
48 2 6 ARG H 2 6 ARG QD 4.500 3.500 6.500 4.509 4.122 4.909 . 0 0 "[ . ]" 4
49 2 7 ASN H 2 7 ASN HA 2.700 . 3.450 2.828 2.671 2.943 . 0 0 "[ . ]" 4
50 2 7 ASN HA 2 8 ARG H 3.500 2.750 4.250 3.681 3.581 3.814 . 0 0 "[ . ]" 4
51 2 7 ASN H 2 8 ARG H 2.700 . 3.450 2.634 1.935 3.472 0.022 7 0 "[ . ]" 4
52 2 7 ASN HA 2 10 ARG H 3.500 2.750 4.250 3.688 3.054 4.160 . 0 0 "[ . ]" 4
53 2 7 ASN H 2 7 ASN QB 3.500 2.500 4.500 2.411 2.107 2.917 0.393 3 0 "[ . ]" 4
54 2 7 ASN QB 2 8 ARG H 4.500 3.500 6.500 3.112 3.021 3.313 0.479 4 0 "[ . ]" 4
55 2 7 ASN HA 2 10 ARG QD 3.500 2.500 5.000 3.965 3.178 4.561 . 0 0 "[ . ]" 4
56 2 7 ASN HA 2 10 ARG QB 3.500 2.500 4.500 2.515 2.092 3.910 0.408 7 0 "[ . ]" 4
57 2 8 ARG H 2 8 ARG HA 3.500 2.750 4.250 2.795 2.750 2.888 . 0 0 "[ . ]" 4
58 2 8 ARG HA 2 9 ARG H 3.500 2.750 4.250 3.640 3.565 3.760 . 0 0 "[ . ]" 4
59 2 8 ARG H 2 9 ARG H 3.500 2.750 4.250 2.900 2.735 3.050 0.015 3 0 "[ . ]" 4
60 2 8 ARG HA 2 10 ARG H 4.500 3.500 5.500 4.650 3.888 5.120 . 0 0 "[ . ]" 4
61 2 8 ARG H 2 8 ARG QD 4.500 3.500 7.000 4.500 3.244 4.975 0.256 3 0 "[ . ]" 4
62 2 8 ARG HA 2 11 ARG QD 4.500 3.000 6.000 5.018 4.524 5.482 . 0 0 "[ . ]" 4
63 2 8 ARG HA 2 11 ARG QG 4.500 3.500 6.500 4.623 3.499 5.359 0.001 6 0 "[ . ]" 4
64 2 8 ARG HA 2 8 ARG QD 3.500 2.500 4.500 3.439 2.388 4.139 0.112 3 0 "[ . ]" 4
65 2 9 ARG H 2 9 ARG HA 3.500 2.750 4.250 2.817 2.795 2.841 . 0 0 "[ . ]" 4
66 2 9 ARG H 2 10 ARG H 2.700 . 3.450 2.869 2.646 3.162 . 0 0 "[ . ]" 4
67 2 9 ARG HA 2 10 ARG H 3.500 2.750 4.250 3.476 2.765 3.654 . 0 0 "[ . ]" 4
68 2 9 ARG HA 2 9 ARG QD 3.500 2.500 4.500 2.998 2.289 3.510 0.211 3 0 "[ . ]" 4
69 2 9 ARG H 2 9 ARG QD 4.500 2.500 5.500 4.092 2.419 4.830 0.081 7 0 "[ . ]" 4
70 2 9 ARG QD 2 10 ARG H 4.500 3.500 6.500 4.651 3.897 5.558 . 0 0 "[ . ]" 4
71 2 9 ARG QG 2 10 ARG H 4.500 2.500 5.500 4.363 2.732 4.837 . 0 0 "[ . ]" 4
72 2 9 ARG HA 2 12 TRP QB 3.500 2.500 4.500 3.155 2.569 3.718 . 0 0 "[ . ]" 4
73 2 9 ARG QD 2 12 TRP QB 4.500 3.500 6.500 4.322 3.535 4.805 . 0 0 "[ . ]" 4
74 2 10 ARG H 2 10 ARG HA 2.700 . 3.700 2.786 2.665 2.936 . 0 0 "[ . ]" 4
75 2 10 ARG H 2 11 ARG H 3.500 2.500 4.250 3.067 2.454 3.499 0.046 3 0 "[ . ]" 4
76 2 10 ARG HA 2 11 ARG H 3.500 2.750 4.250 3.402 2.677 3.841 0.073 2 0 "[ . ]" 4
77 2 10 ARG HA 2 13 ARG H 4.500 3.500 5.500 3.795 3.433 4.334 0.067 5 0 "[ . ]" 4
78 2 10 ARG HA 2 13 ARG QD 4.500 3.000 6.000 4.032 2.977 5.030 0.023 4 0 "[ . ]" 4
79 2 11 ARG H 2 11 ARG HA 3.500 2.500 4.500 2.776 2.689 2.823 . 0 0 "[ . ]" 4
80 2 11 ARG H 2 12 TRP H 3.500 2.750 4.250 2.907 2.688 3.196 0.062 2 0 "[ . ]" 4
81 2 11 ARG HA 2 12 TRP H 3.500 2.750 4.250 3.644 3.573 3.679 . 0 0 "[ . ]" 4
82 2 11 ARG HA 2 14 GLU H 3.500 2.750 4.250 3.890 3.007 4.254 0.004 7 0 "[ . ]" 4
83 2 11 ARG H 2 11 ARG QD 4.500 3.500 6.500 4.458 3.629 5.329 . 0 0 "[ . ]" 4
84 2 11 ARG HA 2 14 GLU QG 3.500 2.500 4.500 3.027 2.155 4.049 0.345 5 0 "[ . ]" 4
85 2 11 ARG HA 2 11 ARG QD 3.500 2.500 4.500 3.761 1.948 4.158 0.552 6 1 "[ .+ ]" 4
86 2 12 TRP H 2 12 TRP HA 2.700 . 3.450 2.849 2.731 2.938 . 0 0 "[ . ]" 4
87 2 12 TRP HA 2 13 ARG H 3.500 2.750 4.250 3.545 3.222 3.724 . 0 0 "[ . ]" 4
88 2 12 TRP H 2 13 ARG H 2.700 . 3.450 2.802 2.600 3.047 . 0 0 "[ . ]" 4
89 2 12 TRP HA 2 15 ARG H 4.500 3.500 5.500 4.033 3.494 4.561 0.006 7 0 "[ . ]" 4
90 2 12 TRP QB 2 13 ARG H 4.500 3.750 5.250 3.340 3.059 3.768 0.691 4 3 "[* +- ]" 4
91 2 12 TRP H 2 12 TRP QB 2.700 . 3.450 2.449 2.356 2.630 . 0 0 "[ . ]" 4
92 2 12 TRP HA 2 15 ARG QB 3.500 2.500 4.500 3.354 2.566 3.761 . 0 0 "[ . ]" 4
93 2 12 TRP HA 2 15 ARG QD 4.500 3.000 5.500 3.653 2.651 4.927 0.349 7 0 "[ . ]" 4
94 2 13 ARG H 2 13 ARG HA 3.500 2.750 4.250 2.821 2.701 2.925 0.049 4 0 "[ . ]" 4
95 2 13 ARG HA 2 14 GLU H 3.500 2.750 4.250 3.622 3.459 3.784 . 0 0 "[ . ]" 4
96 2 13 ARG H 2 14 GLU H 2.700 . 3.450 2.620 1.947 3.121 0.003 3 0 "[ . ]" 4
97 2 13 ARG H 2 15 ARG H 4.500 3.500 5.500 4.218 3.527 4.600 . 0 0 "[ . ]" 4
98 2 13 ARG HA 2 17 ARG H 4.500 3.500 5.500 4.652 3.512 5.513 0.013 6 0 "[ . ]" 4
99 2 13 ARG QD 2 14 GLU H 4.500 3.500 6.500 4.473 3.222 5.100 0.278 5 0 "[ . ]" 4
100 2 13 ARG H 2 13 ARG QD 4.500 3.500 5.500 4.515 4.285 4.847 . 0 0 "[ . ]" 4
101 2 13 ARG HA 2 13 ARG QD 3.500 2.500 4.500 3.997 3.700 4.149 . 0 0 "[ . ]" 4
102 2 14 GLU H 2 14 GLU HA 3.500 2.750 4.250 2.719 2.672 2.789 0.078 1 0 "[ . ]" 4
103 2 14 GLU HA 2 15 ARG H 3.500 2.750 4.250 3.522 3.368 3.616 . 0 0 "[ . ]" 4
104 2 14 GLU H 2 15 ARG H 2.700 . 3.450 2.964 2.538 3.205 . 0 0 "[ . ]" 4
105 2 14 GLU HA 2 16 GLN H 4.500 3.500 5.500 3.927 3.476 4.422 0.024 2 0 "[ . ]" 4
106 2 14 GLU HA 2 17 ARG H 4.500 3.500 5.500 3.478 3.362 3.675 0.138 1 0 "[ . ]" 4
107 2 14 GLU QB 2 15 ARG H 3.500 2.500 4.500 2.842 2.415 3.331 0.085 7 0 "[ . ]" 4
108 2 14 GLU HA 2 17 ARG QD 3.500 2.500 4.500 3.369 2.917 3.873 . 0 0 "[ . ]" 4
109 2 14 GLU QG 2 17 ARG QD 4.500 3.500 6.500 4.409 3.822 5.174 . 0 0 "[ . ]" 4
110 2 14 GLU HA 2 14 GLU QG 3.500 2.500 4.500 2.940 2.429 3.308 0.071 6 0 "[ . ]" 4
111 2 15 ARG H 2 15 ARG HA 3.500 2.750 4.250 2.797 2.724 2.874 0.026 6 0 "[ . ]" 4
112 2 15 ARG H 2 16 GLN H 3.500 2.500 4.500 2.847 2.498 3.108 0.002 3 0 "[ . ]" 4
113 2 15 ARG HA 2 16 GLN H 3.500 2.500 4.500 3.480 3.349 3.681 . 0 0 "[ . ]" 4
114 2 15 ARG HA 2 15 ARG QB 3.500 . 4.500 2.514 2.434 2.603 . 0 0 "[ . ]" 4
115 2 15 ARG HA 2 15 ARG QD 3.500 2.500 4.500 3.478 2.276 4.144 0.224 5 0 "[ . ]" 4
116 2 16 GLN H 2 16 GLN HA 3.500 2.500 4.500 2.898 2.827 2.941 . 0 0 "[ . ]" 4
117 2 16 GLN H 2 17 ARG H 2.700 . 3.450 2.326 1.958 2.685 . 0 0 "[ . ]" 4
118 2 16 GLN HA 2 17 ARG H 3.500 2.750 4.250 3.547 3.446 3.688 . 0 0 "[ . ]" 4
119 2 17 ARG H 2 17 ARG HA 3.500 2.750 4.250 2.796 2.716 2.862 0.034 7 0 "[ . ]" 4
120 2 17 ARG HA 2 17 ARG QD 3.500 2.500 4.500 4.014 3.662 4.142 . 0 0 "[ . ]" 4
121 2 12 TRP QB 2 12 TRP HE3 2.700 . 3.450 2.533 2.312 2.846 . 0 0 "[ . ]" 4
122 2 12 TRP QB 2 12 TRP HD1 2.700 . 3.450 2.748 2.565 2.966 . 0 0 "[ . ]" 4
123 2 12 TRP QB 2 12 TRP HZ3 4.500 3.500 6.500 4.784 4.596 5.023 . 0 0 "[ . ]" 4
124 2 1 THR HB 2 4 ALA MB 4.500 3.500 7.000 4.978 3.176 5.681 0.324 7 0 "[ . ]" 4
125 2 1 THR HA 2 4 ALA MB 4.500 3.500 6.500 4.812 4.051 5.312 . 0 0 "[ . ]" 4
126 2 3 GLN HA 2 6 ARG QD 4.500 2.500 6.500 3.495 2.738 4.282 . 0 0 "[ . ]" 4
127 2 3 GLN HA 2 6 ARG QG 4.500 2.500 6.500 3.971 2.552 4.407 . 0 0 "[ . ]" 4
128 2 13 ARG HA 2 16 GLN QB 3.500 2.500 5.000 3.758 3.283 4.448 . 0 0 "[ . ]" 4
129 2 5 ARG HA 2 8 ARG QD 4.500 3.500 6.500 4.739 3.863 5.652 . 0 0 "[ . ]" 4
130 2 6 ARG HA 2 9 ARG QB 3.500 2.500 5.000 3.636 2.456 4.446 0.044 7 0 "[ . ]" 4
131 2 7 ASN HA 2 10 ARG QG 3.500 2.500 5.000 3.581 2.087 4.443 0.413 2 0 "[ . ]" 4
132 2 4 ALA MB 2 7 ASN QB 4.500 2.500 6.000 4.251 4.111 4.334 . 0 0 "[ . ]" 4
133 2 4 ALA MB 2 7 ASN QD 4.500 3.500 7.000 4.847 4.590 5.030 . 0 0 "[ . ]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 75
_Distance_constraint_stats_list.Viol_count 65
_Distance_constraint_stats_list.Viol_total 33.655
_Distance_constraint_stats_list.Viol_max 0.248
_Distance_constraint_stats_list.Viol_rms 0.0332
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0092
_Distance_constraint_stats_list.Viol_average_violations_only 0.0740
_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 4 U 0.089 0.079 4 0 "[ . ]"
1 5 G 0.224 0.094 4 0 "[ . ]"
1 6 G 0.160 0.080 6 0 "[ . ]"
1 7 A 0.558 0.110 3 0 "[ . ]"
1 8 C 0.000 0.000 . 0 "[ . ]"
1 9 U 1.223 0.248 5 0 "[ . ]"
1 10 C 0.400 0.148 4 0 "[ . ]"
1 11 G 0.000 0.000 . 0 "[ . ]"
1 12 U 0.000 0.000 . 0 "[ . ]"
1 13 A 0.000 0.000 . 0 "[ . ]"
1 14 C 0.981 0.200 1 0 "[ . ]"
1 15 U 0.000 0.000 . 0 "[ . ]"
1 17 C 0.472 0.159 5 0 "[ . ]"
1 18 G 2.071 0.200 1 0 "[ . ]"
1 19 G 0.619 0.186 7 0 "[ . ]"
1 20 U 0.002 0.002 3 0 "[ . ]"
1 21 A 0.000 0.000 . 0 "[ . ]"
1 22 C 0.000 0.000 . 0 "[ . ]"
1 23 U 1.592 0.248 5 0 "[ . ]"
1 25 G 0.085 0.065 7 0 "[ . ]"
1 26 A 0.219 0.047 2 0 "[ . ]"
1 27 G 0.268 0.110 3 0 "[ . ]"
1 28 A 0.305 0.080 6 0 "[ . ]"
1 30 A 0.261 0.094 4 0 "[ . ]"
1 31 C 0.000 0.000 . 0 "[ . ]"
1 32 A 0.089 0.079 4 0 "[ . ]"
1 33 G 0.000 0.000 . 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 4 U H3 1 33 G H1 4.500 3.000 6.000 3.709 3.321 4.118 . 0 0 "[ . ]" 5
2 1 4 U H3 1 5 G H1 4.500 3.000 6.000 4.146 3.621 4.590 . 0 0 "[ . ]" 5
3 1 5 G H1 1 6 G H1 4.500 3.000 6.000 4.526 4.243 5.512 . 0 0 "[ . ]" 5
4 1 6 G H1 1 7 A H61 4.500 3.500 6.000 3.929 3.492 4.420 0.008 7 0 "[ . ]" 5
5 1 6 G H1 1 7 A H62 4.500 3.500 6.000 3.798 3.462 4.583 0.038 6 0 "[ . ]" 5
6 1 7 A H61 1 27 G H1 4.500 3.500 6.000 4.164 3.589 4.782 . 0 0 "[ . ]" 5
7 1 7 A H62 1 27 G H1 4.500 3.000 6.000 5.300 4.761 5.915 . 0 0 "[ . ]" 5
8 1 9 U H3 1 27 G H1 3.500 . 5.000 3.611 3.169 4.246 . 0 0 "[ . ]" 5
9 1 9 U H3 1 25 G H1 4.500 3.000 6.000 4.722 4.206 5.241 . 0 0 "[ . ]" 5
10 1 9 U H3 1 23 U H3 3.500 . 5.000 5.163 5.045 5.248 0.248 5 0 "[ . ]" 5
11 1 11 G H1 1 25 G H1 4.500 3.000 6.000 4.596 4.224 5.156 . 0 0 "[ . ]" 5
12 1 23 U H3 1 25 G H1 4.500 3.000 6.000 4.703 4.141 5.134 . 0 0 "[ . ]" 5
13 1 11 G H1 1 12 U H3 3.500 . 5.000 3.531 3.189 4.173 . 0 0 "[ . ]" 5
14 1 12 U H3 1 20 U H3 4.500 3.000 6.000 5.261 4.866 5.662 . 0 0 "[ . ]" 5
15 1 19 G H1 1 20 U H3 4.500 3.000 6.000 3.481 2.998 3.823 0.002 3 0 "[ . ]" 5
16 1 18 G H1 1 19 G H1 4.500 3.000 6.000 3.343 3.102 3.580 . 0 0 "[ . ]" 5
17 1 15 U H3 1 19 G H1 4.500 3.000 6.000 4.068 3.031 5.042 . 0 0 "[ . ]" 5
18 1 15 U H3 1 18 G H1 4.500 3.000 6.000 3.381 3.061 4.006 . 0 0 "[ . ]" 5
19 1 9 U H3 1 26 A H2 2.700 . 3.700 3.253 3.090 3.630 . 0 0 "[ . ]" 5
20 1 9 U H3 1 26 A H61 3.500 . 5.000 2.069 1.962 2.251 0.038 1 0 "[ . ]" 5
21 1 9 U H3 1 26 A H62 3.500 . 5.000 3.409 3.288 3.492 . 0 0 "[ . ]" 5
22 1 23 U H3 1 26 A H8 2.700 . 3.700 3.461 3.051 3.690 . 0 0 "[ . ]" 5
23 1 23 U H3 1 26 A H61 3.500 . 5.000 3.740 3.589 3.997 . 0 0 "[ . ]" 5
24 1 23 U H3 1 26 A H62 3.500 . 5.000 2.088 1.953 2.289 0.047 2 0 "[ . ]" 5
25 1 4 U H3 1 32 A H2 2.700 . 3.700 3.069 2.050 3.653 . 0 0 "[ . ]" 5
26 1 12 U H3 1 21 A H2 2.700 . 3.700 2.992 2.774 3.137 . 0 0 "[ . ]" 5
27 1 13 A H2 1 20 U H3 2.700 . 3.700 3.051 2.956 3.218 . 0 0 "[ . ]" 5
28 1 4 U H3 1 32 A H61 3.500 . 5.000 2.302 1.921 3.047 0.079 4 0 "[ . ]" 5
29 1 4 U H3 1 32 A H62 3.500 . 5.000 3.671 3.225 4.532 . 0 0 "[ . ]" 5
30 1 12 U H3 1 21 A H61 3.500 . 5.000 2.327 2.181 2.726 . 0 0 "[ . ]" 5
31 1 12 U H3 1 21 A H62 3.500 . 5.000 3.733 3.626 4.086 . 0 0 "[ . ]" 5
32 1 13 A H61 1 20 U H3 3.500 . 5.000 2.494 2.168 2.827 . 0 0 "[ . ]" 5
33 1 13 A H62 1 20 U H3 3.500 . 5.000 4.006 3.703 4.343 . 0 0 "[ . ]" 5
34 1 7 A H2 1 27 G H1 3.500 . 5.000 4.991 4.706 5.110 0.110 3 0 "[ . ]" 5
35 1 6 G H1 1 7 A H2 4.500 3.000 6.000 4.706 3.871 5.130 . 0 0 "[ . ]" 5
36 1 6 G H1 1 30 A H2 2.700 . 3.700 2.788 2.393 3.109 . 0 0 "[ . ]" 5
37 1 6 G H1 1 28 A H2 4.500 3.000 6.000 5.563 4.767 6.080 0.080 6 0 "[ . ]" 5
38 1 11 G H1 1 21 A H2 4.500 3.000 6.000 4.131 3.769 4.287 . 0 0 "[ . ]" 5
39 1 13 A H2 1 19 G H1 4.500 3.000 6.000 4.564 3.361 5.671 . 0 0 "[ . ]" 5
40 1 5 G H1 1 32 A H2 4.500 3.000 6.000 4.749 3.570 5.640 . 0 0 "[ . ]" 5
41 1 5 G H1 1 30 A H2 4.500 3.000 6.000 5.992 5.810 6.094 0.094 4 0 "[ . ]" 5
42 1 5 G H1 1 31 C H41 3.500 . 5.000 2.665 2.031 3.448 . 0 0 "[ . ]" 5
43 1 5 G H1 1 31 C H42 3.500 . 5.000 4.151 3.624 4.865 . 0 0 "[ . ]" 5
44 1 14 C H41 1 19 G H1 3.500 . 5.000 2.754 2.028 3.090 . 0 0 "[ . ]" 5
45 1 14 C H42 1 19 G H1 3.500 . 5.000 4.218 3.296 4.553 . 0 0 "[ . ]" 5
46 1 8 C H41 1 27 G H1 3.500 . 5.000 2.674 2.183 3.112 . 0 0 "[ . ]" 5
47 1 8 C H42 1 27 G H1 3.500 . 5.000 4.166 3.681 4.592 . 0 0 "[ . ]" 5
48 1 11 G H1 1 22 C H42 3.500 . 5.000 4.454 4.163 4.627 . 0 0 "[ . ]" 5
49 1 11 G H1 1 22 C H41 3.500 . 5.000 3.021 2.784 3.167 . 0 0 "[ . ]" 5
50 1 10 C H42 1 25 G H1 3.500 . 5.000 4.616 4.400 4.864 . 0 0 "[ . ]" 5
51 1 10 C H41 1 25 G H1 4.500 3.000 6.000 3.109 2.935 3.363 0.065 7 0 "[ . ]" 5
52 1 9 U H3 1 10 C H41 4.500 3.000 6.000 4.326 3.605 4.822 . 0 0 "[ . ]" 5
53 1 9 U H3 1 10 C H42 4.500 3.000 6.000 4.394 3.420 5.123 . 0 0 "[ . ]" 5
54 1 10 C H41 1 23 U H3 4.500 3.000 6.000 4.661 4.172 5.085 . 0 0 "[ . ]" 5
55 1 10 C H42 1 23 U H3 4.500 3.000 6.000 5.883 5.497 6.148 0.148 4 0 "[ . ]" 5
56 1 8 C H42 1 23 U H3 4.500 3.000 6.000 5.140 4.643 5.678 . 0 0 "[ . ]" 5
57 1 8 C H41 1 23 U H3 4.500 3.000 6.000 4.885 4.476 5.189 . 0 0 "[ . ]" 5
58 1 8 C H41 1 9 U H3 4.500 3.000 6.000 3.922 3.506 4.412 . 0 0 "[ . ]" 5
59 1 8 C H42 1 9 U H3 4.500 3.000 6.000 4.836 4.209 5.502 . 0 0 "[ . ]" 5
60 1 7 A H61 1 28 A H2 2.700 . 3.700 2.858 2.451 3.219 . 0 0 "[ . ]" 5
61 1 7 A H62 1 28 A H2 2.700 . 4.200 3.619 3.398 3.905 . 0 0 "[ . ]" 5
62 1 7 A H61 1 30 A H2 4.500 3.000 6.000 3.839 3.087 4.985 . 0 0 "[ . ]" 5
63 1 7 A H62 1 30 A H2 4.500 3.000 6.000 4.793 4.113 6.011 0.011 5 0 "[ . ]" 5
64 1 7 A H2 1 28 A H61 2.700 . 3.700 2.902 2.444 3.143 . 0 0 "[ . ]" 5
65 1 7 A H2 1 28 A H62 2.700 . 3.700 3.683 3.394 3.761 0.061 1 0 "[ . ]" 5
66 1 28 A H61 1 30 A H2 3.500 . 5.000 3.483 2.950 4.208 . 0 0 "[ . ]" 5
67 1 28 A H62 1 30 A H2 3.500 . 5.000 4.318 3.745 5.026 0.026 3 0 "[ . ]" 5
68 1 14 C H41 1 18 G H1 3.500 . 5.000 4.077 3.836 4.542 . 0 0 "[ . ]" 5
69 1 14 C H42 1 18 G H1 3.500 . 5.000 5.140 5.089 5.200 0.200 1 0 "[ . ]" 5
70 1 15 U H2' 1 18 G H1 3.500 2.500 4.500 3.974 3.688 4.201 . 0 0 "[ . ]" 5
71 1 15 U H1' 1 18 G H1 3.500 . 4.250 3.414 2.186 3.705 . 0 0 "[ . ]" 5
72 1 17 C H6 1 18 G H1 4.500 3.500 5.500 3.807 3.563 4.097 . 0 0 "[ . ]" 5
73 1 18 G H1 1 19 G H8 4.500 3.500 5.500 5.519 5.015 5.686 0.186 7 0 "[ . ]" 5
74 1 17 C H5 1 18 G H1 3.500 . 4.250 4.302 4.189 4.409 0.159 5 0 "[ . ]" 5
75 1 17 C H1' 1 18 G H1 3.500 . 4.250 3.881 3.573 4.278 0.028 3 0 "[ . ]" 5
stop_
save_
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