NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
376463 |
1fmn   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1fmn
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 264
_Distance_constraint_stats_list.Viol_count 242
_Distance_constraint_stats_list.Viol_total 42.005
_Distance_constraint_stats_list.Viol_max 0.153
_Distance_constraint_stats_list.Viol_rms 0.0188
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.0347
_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 0.430 0.067 4 0 "[ .]"
1 2 G 0.401 0.067 4 0 "[ .]"
1 3 C 0.135 0.041 3 0 "[ .]"
1 4 G 0.111 0.041 3 0 "[ .]"
1 5 U 0.382 0.062 2 0 "[ .]"
1 6 G 0.527 0.068 5 0 "[ .]"
1 7 U 0.228 0.068 5 0 "[ .]"
1 8 A 0.277 0.055 2 0 "[ .]"
1 9 G 0.231 0.053 5 0 "[ .]"
1 10 G 0.079 0.031 2 0 "[ .]"
1 11 A 0.205 0.084 4 0 "[ .]"
1 12 U 0.329 0.084 5 0 "[ .]"
1 13 A 0.596 0.123 2 0 "[ .]"
1 14 U 1.200 0.123 2 0 "[ .]"
1 15 G 1.028 0.153 2 0 "[ .]"
1 16 C 0.367 0.041 3 0 "[ .]"
1 17 U 0.684 0.087 4 0 "[ .]"
1 18 U 0.619 0.094 1 0 "[ .]"
1 19 C 1.060 0.096 1 0 "[ .]"
1 20 G 1.270 0.131 4 0 "[ .]"
1 21 G 0.223 0.039 1 0 "[ .]"
1 22 C 0.201 0.063 1 0 "[ .]"
1 23 A 0.214 0.063 1 0 "[ .]"
1 24 G 0.497 0.084 5 0 "[ .]"
1 25 A 0.269 0.048 4 0 "[ .]"
1 26 A 0.241 0.056 3 0 "[ .]"
1 27 G 0.192 0.056 3 0 "[ .]"
1 28 G 0.058 0.029 4 0 "[ .]"
1 29 A 0.115 0.025 4 0 "[ .]"
1 30 C 0.158 0.058 2 0 "[ .]"
1 31 A 0.427 0.090 1 0 "[ .]"
1 32 C 0.667 0.091 1 0 "[ .]"
1 33 G 0.327 0.091 1 0 "[ .]"
1 34 C 0.013 0.013 3 0 "[ .]"
1 35 C 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 7 U H5 1 7 U H6 2.510 2.010 3.010 2.473 2.461 2.483 . 0 0 "[ .]" 1
2 1 5 U H5 1 5 U H6 2.480 . 2.980 2.434 2.414 2.459 . 0 0 "[ .]" 1
3 1 34 C H5 1 34 C H6 2.420 . 2.900 2.525 2.492 2.552 . 0 0 "[ .]" 1
4 1 19 C H5 1 19 C H6 2.490 . 2.990 2.461 2.425 2.492 . 0 0 "[ .]" 1
5 1 18 U H5 1 18 U H6 2.460 . 2.950 2.386 2.356 2.461 . 0 0 "[ .]" 1
6 1 32 C H1' 1 32 C H6 3.520 2.820 4.220 3.610 3.554 3.708 . 0 0 "[ .]" 1
7 1 32 C H1' 1 33 G H8 3.720 2.980 4.460 4.523 4.483 4.551 0.091 1 0 "[ .]" 1
8 1 22 C H1' 1 22 C H6 3.580 2.860 4.300 3.542 3.494 3.566 . 0 0 "[ .]" 1
9 1 22 C H1' 1 23 A H8 4.000 3.200 4.800 4.822 4.801 4.863 0.063 1 0 "[ .]" 1
10 1 16 C H1' 1 16 C H6 3.520 2.820 4.220 3.548 3.499 3.607 . 0 0 "[ .]" 1
11 1 16 C H1' 1 17 U H6 4.220 3.380 5.060 5.030 4.804 5.101 0.041 3 0 "[ .]" 1
12 1 15 G H1' 1 16 C H6 3.860 3.090 4.630 4.662 4.654 4.668 0.038 4 0 "[ .]" 1
13 1 15 G H1' 1 15 G H8 3.900 3.120 4.680 3.612 3.575 3.646 . 0 0 "[ .]" 1
14 1 7 U H1' 1 7 U H6 3.690 2.950 4.430 3.723 3.707 3.737 . 0 0 "[ .]" 1
15 1 7 U H1' 1 8 A H8 3.830 3.060 4.600 3.253 3.005 3.592 0.055 2 0 "[ .]" 1
16 1 31 A H1' 1 31 A H8 3.730 2.980 4.480 3.643 3.580 3.730 . 0 0 "[ .]" 1
17 1 8 A H1' 1 8 A H8 3.640 2.910 4.370 3.581 3.281 3.685 . 0 0 "[ .]" 1
18 1 1 G H1' 1 1 G H8 3.940 3.150 4.730 3.727 3.590 3.867 . 0 0 "[ .]" 1
19 1 18 U H1' 1 18 U H6 3.550 2.840 4.260 3.692 3.673 3.711 . 0 0 "[ .]" 1
20 1 19 C H1' 1 19 C H6 3.500 2.800 4.200 3.668 3.627 3.730 . 0 0 "[ .]" 1
21 1 31 A H1' 1 32 C H6 3.850 3.080 4.620 4.678 4.663 4.710 0.090 1 0 "[ .]" 1
22 1 10 G H1' 1 10 G H8 3.710 2.970 4.450 3.877 3.853 3.912 . 0 0 "[ .]" 1
23 1 6 G H1' 1 6 G H8 3.660 2.930 4.390 3.574 3.538 3.624 . 0 0 "[ .]" 1
24 1 33 G H1' 1 33 G H8 3.730 2.980 4.480 3.647 3.442 3.857 . 0 0 "[ .]" 1
25 1 4 G H1' 1 4 G H8 3.650 2.920 4.380 3.665 3.609 3.713 . 0 0 "[ .]" 1
26 1 35 C H1' 1 35 C H6 3.450 2.760 4.140 3.710 3.691 3.729 . 0 0 "[ .]" 1
27 1 3 C H1' 1 4 G H8 3.990 3.190 4.790 4.777 4.616 4.831 0.041 3 0 "[ .]" 1
28 1 28 G H1' 1 29 A H8 4.260 3.410 5.110 4.894 4.685 5.128 0.018 3 0 "[ .]" 1
29 1 28 G H1' 1 28 G H8 3.660 2.930 4.390 3.705 3.648 3.861 . 0 0 "[ .]" 1
30 1 15 G H1' 1 23 A H2 3.810 2.670 4.950 4.189 3.804 4.760 . 0 0 "[ .]" 1
31 1 13 A H2 1 25 A H1' 3.450 2.410 4.490 4.075 3.223 4.493 0.003 5 0 "[ .]" 1
32 1 25 A H1' 1 25 A H8 3.760 3.010 4.510 3.512 3.392 3.712 . 0 0 "[ .]" 1
33 1 6 G H1' 1 31 A H2 3.120 2.180 4.060 3.703 3.054 4.044 . 0 0 "[ .]" 1
34 1 31 A H2 1 32 C H1' 3.150 2.200 4.100 3.231 2.810 4.105 0.005 1 0 "[ .]" 1
35 1 25 A H2 1 26 A H1' 2.790 . 3.630 2.732 2.532 2.961 . 0 0 "[ .]" 1
36 1 10 G H3' 1 10 G H8 2.240 . 2.690 2.227 2.112 2.297 . 0 0 "[ .]" 1
37 1 30 C H1' 1 31 A H8 3.980 3.180 4.780 4.735 4.640 4.838 0.058 2 0 "[ .]" 1
38 1 31 A H8 1 32 C H5 4.390 3.510 5.270 3.860 3.497 4.201 0.013 1 0 "[ .]" 1
39 1 6 G H8 1 7 U H5 3.990 3.190 4.790 4.289 3.633 4.820 0.030 1 0 "[ .]" 1
40 1 5 U H5 1 6 G H8 4.060 3.250 4.870 4.888 4.881 4.898 0.028 3 0 "[ .]" 1
41 1 14 U H5 1 14 U H6 2.810 2.250 3.370 2.397 2.367 2.406 . 0 0 "[ .]" 1
42 1 13 A H8 1 14 U H5 3.340 2.670 4.010 2.990 2.912 3.052 . 0 0 "[ .]" 1
43 1 26 A H1' 1 26 A H8 4.070 3.260 4.880 3.645 3.619 3.678 . 0 0 "[ .]" 1
44 1 25 A H2' 1 26 A H8 2.990 2.390 3.590 2.730 2.702 2.758 . 0 0 "[ .]" 1
45 1 29 A H2 1 30 C H1' 3.080 2.160 4.000 3.240 3.043 3.582 . 0 0 "[ .]" 1
46 1 8 A H1' 1 29 A H2 3.650 2.550 4.750 3.982 2.848 4.764 0.014 5 0 "[ .]" 1
47 1 11 A H2' 1 11 A H8 2.980 2.380 3.580 3.521 3.145 3.664 0.084 4 0 "[ .]" 1
48 1 11 A H1' 1 11 A H8 3.340 2.670 4.010 3.789 3.726 3.830 . 0 0 "[ .]" 1
49 1 12 U H1' 1 12 U H6 3.750 3.000 4.500 3.367 3.043 3.494 . 0 0 "[ .]" 1
50 1 20 G H3' 1 21 G H8 3.230 2.580 3.880 3.099 2.707 3.890 0.010 4 0 "[ .]" 1
51 1 10 G H2' 1 10 G H8 2.800 2.240 3.360 3.300 3.107 3.367 0.007 3 0 "[ .]" 1
52 1 13 A H2 1 14 U H1' 3.400 2.380 4.420 3.094 3.020 3.187 . 0 0 "[ .]" 1
53 1 14 U H1' 1 14 U H6 4.080 3.260 4.900 3.519 3.491 3.536 . 0 0 "[ .]" 1
54 1 14 U H1' 1 15 G H8 3.750 3.000 4.500 4.553 4.533 4.586 0.086 2 0 "[ .]" 1
55 1 9 G H2' 1 9 G H8 3.930 2.770 5.090 3.917 3.676 4.281 . 0 0 "[ .]" 1
56 1 25 A H2' 1 25 A H8 4.320 3.460 5.180 4.371 4.246 4.515 . 0 0 "[ .]" 1
57 1 29 A H1' 1 30 C H6 4.230 3.380 5.080 4.726 3.365 5.091 0.015 5 0 "[ .]" 1
58 1 1 G H2' 1 2 G H8 2.590 2.070 3.110 2.134 2.044 2.399 0.026 4 0 "[ .]" 1
59 1 8 A H2 1 29 A H2 3.420 2.050 4.790 3.846 3.395 4.338 . 0 0 "[ .]" 1
60 1 1 G H2' 1 1 G H8 3.960 3.170 4.750 4.141 3.802 4.334 . 0 0 "[ .]" 1
61 1 23 A H2 1 24 G H1' 3.980 2.790 5.170 2.867 2.758 3.157 0.032 4 0 "[ .]" 1
62 1 1 G H1' 1 2 G H8 3.600 2.880 4.320 4.373 4.354 4.387 0.067 4 0 "[ .]" 1
63 1 17 U H2' 1 19 C H6 3.620 2.900 4.340 3.318 3.182 3.548 . 0 0 "[ .]" 1
64 1 17 U H2' 1 17 U H6 3.420 2.740 4.100 4.124 4.085 4.145 0.045 5 0 "[ .]" 1
65 1 26 A H3' 1 26 A H8 3.000 2.400 3.600 3.342 3.231 3.485 . 0 0 "[ .]" 1
66 1 18 U H3' 1 18 U H6 3.140 2.510 3.770 3.085 2.954 3.145 . 0 0 "[ .]" 1
67 1 18 U H2' 1 18 U H6 2.250 . 2.700 2.306 2.092 2.679 . 0 0 "[ .]" 1
68 1 5 U H2' 1 6 G H8 2.600 2.080 3.120 2.101 2.053 2.190 0.027 2 0 "[ .]" 1
69 1 26 A H2' 1 27 G H8 3.170 2.540 3.800 3.713 3.361 3.856 0.056 3 0 "[ .]" 1
70 1 26 A H8 1 27 G H8 3.730 2.980 4.480 3.882 3.727 4.305 . 0 0 "[ .]" 1
71 1 13 A H2 1 25 A H2 3.710 2.230 5.190 3.754 3.363 4.620 . 0 0 "[ .]" 1
72 1 27 G H8 1 28 G H8 3.870 2.730 5.010 4.516 4.454 4.702 . 0 0 "[ .]" 1
73 1 17 U H2' 1 19 C H5 2.540 2.030 3.050 2.241 2.208 2.293 . 0 0 "[ .]" 1
74 1 11 A H1' 1 11 A H4' 3.230 2.580 3.880 3.156 2.579 3.406 0.001 2 0 "[ .]" 1
75 1 11 A H1' 1 11 A H2' 3.170 2.540 3.800 2.908 2.827 3.083 . 0 0 "[ .]" 1
76 1 11 A H1' 1 11 A H3' 3.720 2.980 4.460 3.848 3.780 3.880 . 0 0 "[ .]" 1
77 1 20 G H1' 1 20 G H2' 3.430 2.740 4.120 2.966 2.890 3.015 . 0 0 "[ .]" 1
78 1 19 C H4' 1 20 G H1' 3.080 2.460 3.700 3.744 3.716 3.762 0.062 1 0 "[ .]" 1
79 1 25 A H1' 1 25 A H2' 2.660 2.130 3.190 2.850 2.744 2.902 . 0 0 "[ .]" 1
80 1 16 C H5 1 17 U H5 3.190 2.550 3.830 3.673 3.555 3.840 0.010 3 0 "[ .]" 1
81 1 10 G H1' 1 10 G H3' 3.440 2.750 4.130 3.801 3.769 3.899 . 0 0 "[ .]" 1
82 1 5 U H1' 1 5 U H2' 2.680 2.140 3.220 2.740 2.713 2.752 . 0 0 "[ .]" 1
83 1 1 G H1' 1 1 G H2' 2.840 2.270 3.410 2.733 2.696 2.765 . 0 0 "[ .]" 1
84 1 9 G H1' 1 9 G H2' 2.530 2.020 3.040 2.892 2.778 3.046 0.006 3 0 "[ .]" 1
85 1 9 G H1' 1 9 G H4' 2.860 2.290 3.430 3.089 2.480 3.406 . 0 0 "[ .]" 1
86 1 25 A H8 1 26 A H8 4.620 3.700 5.500 4.445 4.306 4.680 . 0 0 "[ .]" 1
87 1 11 A H2' 1 11 A H3' 2.440 . 2.930 2.314 2.204 2.361 . 0 0 "[ .]" 1
88 1 10 G H1' 1 10 G H2' 2.520 2.020 3.020 2.835 2.801 2.868 . 0 0 "[ .]" 1
89 1 10 G H1' 1 12 U H6 3.960 2.770 5.150 3.304 2.801 3.795 . 0 0 "[ .]" 1
90 1 25 A H1' 1 26 A H8 4.060 3.250 4.870 4.899 4.886 4.918 0.048 4 0 "[ .]" 1
91 1 13 A H1' 1 14 U H6 3.690 2.950 4.430 4.527 4.510 4.553 0.123 2 0 "[ .]" 1
92 1 17 U H5 1 17 U H6 2.430 . 2.920 2.461 2.445 2.474 . 0 0 "[ .]" 1
93 1 20 G H3' 1 20 G H8 3.850 3.080 4.620 4.689 4.679 4.713 0.093 4 0 "[ .]" 1
94 1 13 A H2 1 25 A H2' 4.420 3.090 5.500 5.440 5.379 5.513 0.013 4 0 "[ .]" 1
95 1 22 C H5 1 22 C H6 2.460 . 2.950 2.471 2.463 2.478 . 0 0 "[ .]" 1
96 1 32 C H5 1 32 C H6 2.460 . 2.950 2.469 2.459 2.476 . 0 0 "[ .]" 1
97 1 11 A H3' 1 11 A H8 3.480 2.780 4.180 3.089 2.760 4.206 0.026 2 0 "[ .]" 1
98 1 1 G H3' 1 1 G H8 3.040 2.430 3.650 3.032 2.407 3.683 0.033 3 0 "[ .]" 1
99 1 31 A H8 1 32 C H6 3.980 3.180 4.780 4.686 4.462 4.815 0.035 2 0 "[ .]" 1
100 1 30 C H6 1 31 A H8 3.970 3.180 4.760 4.533 4.305 4.680 . 0 0 "[ .]" 1
101 1 8 A H8 1 9 G H8 3.740 2.990 4.490 4.350 4.089 4.517 0.027 3 0 "[ .]" 1
102 1 16 C H5 1 16 C H6 2.570 2.060 3.080 2.469 2.464 2.475 . 0 0 "[ .]" 1
103 1 20 G H2' 1 20 G H8 3.680 2.940 4.420 3.055 2.906 3.484 0.034 1 0 "[ .]" 1
104 1 17 U H1' 1 18 U H6 4.060 3.250 4.870 4.830 4.598 4.897 0.027 5 0 "[ .]" 1
105 1 17 U H6 1 19 C H5 4.140 2.900 5.380 5.318 5.171 5.399 0.019 1 0 "[ .]" 1
106 1 17 U H4' 1 18 U H6 3.550 2.470 4.630 3.926 2.670 4.592 . 0 0 "[ .]" 1
107 1 17 U H1' 1 17 U H4' 3.270 2.250 4.290 3.572 3.440 3.639 . 0 0 "[ .]" 1
108 1 17 U H4' 1 18 U H5 3.080 2.080 4.080 3.324 2.111 4.082 0.002 2 0 "[ .]" 1
109 1 26 A H2 1 27 G H1' 3.490 2.070 4.910 3.706 3.022 4.060 . 0 0 "[ .]" 1
110 1 18 U H2' 1 18 U H5 3.650 2.550 4.750 4.251 4.123 4.576 . 0 0 "[ .]" 1
111 1 18 U H3' 1 18 U H5 4.110 2.920 5.300 5.370 5.311 5.394 0.094 1 0 "[ .]" 1
112 1 19 C H1' 1 19 C H3' 3.440 2.380 4.500 3.845 3.761 3.907 . 0 0 "[ .]" 1
113 1 19 C H2' 1 19 C H3' 2.570 . 3.570 2.338 2.313 2.370 . 0 0 "[ .]" 1
114 1 14 U H3' 1 14 U H5 3.440 2.380 4.500 4.551 4.530 4.572 0.072 4 0 "[ .]" 1
115 1 19 C H3' 1 19 C H4' 2.820 . 3.820 2.805 2.784 2.843 . 0 0 "[ .]" 1
116 1 19 C H3' 1 19 C H6 3.350 2.310 4.390 4.458 4.398 4.486 0.096 1 0 "[ .]" 1
117 1 16 C H6 1 17 U H5 4.040 2.860 5.220 3.500 3.279 3.763 . 0 0 "[ .]" 1
118 1 16 C H3' 1 17 U H5 3.720 2.610 4.830 2.955 2.630 3.254 . 0 0 "[ .]" 1
119 1 12 U H5 1 12 U H6 3.230 2.210 4.250 2.449 2.427 2.461 . 0 0 "[ .]" 1
120 1 8 A H2 1 9 G H1' 3.230 . 4.570 3.382 2.503 4.335 . 0 0 "[ .]" 1
121 1 8 A H2 1 29 A H1' 3.690 2.210 5.170 3.907 3.076 4.510 . 0 0 "[ .]" 1
122 1 18 U H2' 1 18 U H3' 3.030 2.030 4.030 2.147 2.089 2.212 . 0 0 "[ .]" 1
123 1 18 U H3' 1 18 U H4' 2.440 . 3.440 3.039 3.002 3.073 . 0 0 "[ .]" 1
124 1 18 U H3' 1 19 C H6 2.650 . 3.650 2.610 2.298 3.297 . 0 0 "[ .]" 1
125 1 19 C H1' 1 19 C H2' 2.870 . 3.850 3.088 3.078 3.100 . 0 0 "[ .]" 1
126 1 19 C H2' 1 19 C H6 2.640 . 3.640 2.924 2.748 3.088 . 0 0 "[ .]" 1
127 1 7 U H2' 1 7 U H5 3.620 2.530 4.710 4.563 4.460 4.690 . 0 0 "[ .]" 1
128 1 20 G H2' 1 20 G H3' 2.870 . 3.870 2.356 2.319 2.413 . 0 0 "[ .]" 1
129 1 9 G H2' 1 9 G H3' 3.200 2.190 4.210 2.356 2.277 2.409 . 0 0 "[ .]" 1
130 1 20 G H1' 1 20 G H3' 3.350 2.310 4.390 3.666 3.610 3.693 . 0 0 "[ .]" 1
131 1 17 U H1' 1 17 U H2' 2.570 . 3.570 2.697 2.687 2.717 . 0 0 "[ .]" 1
132 1 17 U H2' 1 17 U H3' 2.800 . 3.800 2.374 2.353 2.389 . 0 0 "[ .]" 1
133 1 24 G H2' 1 24 G H4' 3.660 2.560 4.760 3.872 3.833 3.930 . 0 0 "[ .]" 1
134 1 20 G H3' 1 20 G H4' 2.800 . 3.800 3.072 3.057 3.079 . 0 0 "[ .]" 1
135 1 24 G H2' 1 24 G H3' 3.270 2.250 4.290 2.436 2.420 2.453 . 0 0 "[ .]" 1
136 1 24 G H1' 1 24 G H2' 3.030 2.050 4.030 2.757 2.745 2.773 . 0 0 "[ .]" 1
137 1 30 C H2' 1 31 A H8 2.460 . 3.460 2.324 2.138 2.566 . 0 0 "[ .]" 1
138 1 30 C H1' 1 30 C H2' 2.920 . 3.920 2.767 2.742 2.806 . 0 0 "[ .]" 1
139 1 28 G H2' 1 29 A H8 2.920 . 3.920 2.923 2.340 3.291 . 0 0 "[ .]" 1
140 1 10 G H2' 1 10 G H3' 3.440 2.380 4.500 2.403 2.376 2.424 0.004 2 0 "[ .]" 1
141 1 14 U H1' 1 14 U H2' 3.130 2.130 4.130 2.695 2.664 2.711 . 0 0 "[ .]" 1
142 1 12 U H1' 1 12 U H2' 3.230 2.210 4.250 2.816 2.769 2.848 . 0 0 "[ .]" 1
143 1 10 G H3' 1 10 G H4' 3.720 2.610 4.830 3.072 3.049 3.079 . 0 0 "[ .]" 1
144 1 14 U H2' 1 15 G H8 2.430 . 3.430 2.062 2.013 2.109 . 0 0 "[ .]" 1
145 1 12 U H2' 1 13 A H8 2.690 . 3.690 2.606 2.542 2.718 . 0 0 "[ .]" 1
146 1 11 A H2' 1 11 A H4' 3.550 2.470 4.630 3.934 3.922 3.944 . 0 0 "[ .]" 1
147 1 18 U H1' 1 18 U H2' 3.310 2.280 4.340 3.067 3.041 3.092 . 0 0 "[ .]" 1
148 1 17 U H1' 1 19 C H5 3.730 2.610 4.850 4.907 4.883 4.937 0.087 4 0 "[ .]" 1
149 1 18 U H2' 1 19 C H5 3.980 2.810 5.150 5.170 5.152 5.198 0.048 2 0 "[ .]" 1
150 1 34 C H3' 1 35 C H5 3.770 2.650 4.890 4.412 3.825 4.793 . 0 0 "[ .]" 1
151 1 35 C H5 1 35 C H6 2.550 . 3.550 2.422 2.395 2.433 . 0 0 "[ .]" 1
152 1 16 C H1' 1 16 C H3' 3.820 2.690 4.950 3.781 3.756 3.799 . 0 0 "[ .]" 1
153 1 16 C H3' 1 17 U H6 3.270 2.250 4.290 2.345 2.209 2.503 0.041 3 0 "[ .]" 1
154 1 16 C H3' 1 16 C H6 3.050 2.050 4.050 3.171 2.907 3.393 . 0 0 "[ .]" 1
155 1 12 U H1' 1 13 A H8 4.030 2.850 5.210 5.046 4.916 5.212 0.002 4 0 "[ .]" 1
156 1 12 U H1' 1 12 U H3' 3.800 2.670 4.930 3.755 3.726 3.793 . 0 0 "[ .]" 1
157 1 21 G H3' 1 21 G H8 3.490 2.420 4.560 3.003 2.848 3.073 . 0 0 "[ .]" 1
158 1 18 U H4' 1 18 U H6 3.490 2.420 4.560 4.471 4.382 4.564 0.004 2 0 "[ .]" 1
159 1 17 U H1' 1 17 U H6 3.620 2.530 4.710 3.551 3.514 3.602 . 0 0 "[ .]" 1
160 1 35 C H2' 1 35 C H3' 2.310 . 3.310 2.367 2.353 2.383 . 0 0 "[ .]" 1
161 1 35 C H3' 1 35 C H6 2.850 . 3.850 2.163 2.121 2.237 . 0 0 "[ .]" 1
162 1 35 C H1' 1 35 C H3' 3.390 2.340 4.440 3.825 3.799 3.845 . 0 0 "[ .]" 1
163 1 20 G H1' 1 20 G H8 2.330 . 3.330 2.397 2.119 2.528 . 0 0 "[ .]" 1
164 1 20 G H1' 1 20 G H4' 3.130 2.130 4.130 2.530 2.469 2.690 . 0 0 "[ .]" 1
165 1 17 U H1' 1 17 U H3' 3.270 2.250 4.290 3.734 3.685 3.773 . 0 0 "[ .]" 1
166 1 30 C H1' 1 30 C H6 3.790 2.660 4.920 3.657 3.612 3.713 . 0 0 "[ .]" 1
167 1 11 A H4' 1 11 A H8 3.720 2.610 4.830 4.415 4.210 4.608 . 0 0 "[ .]" 1
168 1 8 A H1' 1 9 G H8 3.850 2.710 4.990 5.018 4.989 5.043 0.053 5 0 "[ .]" 1
169 1 30 C H1' 1 30 C H3' 3.160 2.160 4.160 3.636 3.611 3.662 . 0 0 "[ .]" 1
170 1 21 G H1' 1 22 C H6 3.730 2.610 4.850 4.868 4.856 4.883 0.033 4 0 "[ .]" 1
171 1 20 G H3' 1 21 G H1' 3.910 2.760 5.060 4.638 4.113 5.044 . 0 0 "[ .]" 1
172 1 20 G H2' 1 21 G H1' 3.310 2.280 4.340 3.594 3.187 3.861 . 0 0 "[ .]" 1
173 1 13 A H2' 1 14 U H1' 4.160 2.960 5.360 3.880 3.734 4.077 . 0 0 "[ .]" 1
174 1 14 U H1' 1 14 U H3' 3.670 2.570 4.770 3.687 3.671 3.698 . 0 0 "[ .]" 1
175 1 14 U H1' 1 14 U H4' 3.650 2.550 4.750 3.638 3.585 3.713 . 0 0 "[ .]" 1
176 1 21 G H1' 1 21 G H8 3.490 2.420 4.560 3.697 3.689 3.700 . 0 0 "[ .]" 1
177 1 19 C H4' 1 19 C H6 3.760 2.640 4.880 4.176 4.055 4.276 . 0 0 "[ .]" 1
178 1 28 G H1' 1 28 G H3' 3.050 2.050 4.050 3.752 3.651 3.856 . 0 0 "[ .]" 1
179 1 28 G H1' 1 28 G H2' 2.880 . 3.880 2.841 2.761 3.103 . 0 0 "[ .]" 1
180 1 20 G H4' 1 20 G H8 3.550 2.470 4.630 4.738 4.724 4.761 0.131 4 0 "[ .]" 1
181 1 15 G H1' 1 15 G H2' 2.640 . 3.640 2.771 2.743 2.813 . 0 0 "[ .]" 1
182 1 27 G H1' 1 27 G H8 3.990 2.820 5.160 3.615 3.505 3.736 . 0 0 "[ .]" 1
183 1 27 G H1' 1 28 G H8 4.100 2.910 5.290 5.185 4.754 5.319 0.029 4 0 "[ .]" 1
184 1 9 G H1' 1 9 G H3' 3.550 2.470 4.630 3.809 3.735 3.867 . 0 0 "[ .]" 1
185 1 9 G H1' 1 9 G H8 3.200 2.190 4.210 3.709 3.627 3.775 . 0 0 "[ .]" 1
186 1 14 U H4' 1 14 U H6 4.180 2.970 5.390 4.025 3.977 4.058 . 0 0 "[ .]" 1
187 1 1 G H1' 1 1 G H4' 3.310 2.280 4.340 3.556 3.397 3.765 . 0 0 "[ .]" 1
188 1 13 A H2' 1 14 U H6 3.870 2.730 5.010 2.712 2.701 2.727 0.029 2 0 "[ .]" 1
189 1 1 G H1' 1 1 G H3' 3.730 2.610 4.850 3.782 3.704 3.900 . 0 0 "[ .]" 1
190 1 14 U H2' 1 14 U H6 4.210 3.000 5.420 4.325 4.281 4.365 . 0 0 "[ .]" 1
191 1 14 U H3' 1 14 U H6 3.100 2.100 4.100 3.005 2.931 3.069 . 0 0 "[ .]" 1
192 1 16 C H2' 1 17 U H6 2.800 . 3.800 2.751 2.417 2.939 . 0 0 "[ .]" 1
193 1 3 C H1' 1 3 C H6 4.000 2.830 5.170 3.646 3.569 3.724 . 0 0 "[ .]" 1
194 1 3 C H5 1 3 C H6 2.900 . 3.900 2.476 2.461 2.499 . 0 0 "[ .]" 1
195 1 2 G H1' 1 3 C H6 4.190 2.980 5.400 5.336 5.170 5.411 0.011 1 0 "[ .]" 1
196 1 30 C H2' 1 30 C H6 4.010 2.840 5.180 3.959 3.611 4.229 . 0 0 "[ .]" 1
197 1 24 G H2' 1 25 A H8 3.820 2.690 4.950 3.396 3.009 4.095 . 0 0 "[ .]" 1
198 1 23 A H1' 1 23 A H8 3.990 2.820 5.160 3.561 3.472 3.620 . 0 0 "[ .]" 1
199 1 22 C H2' 1 23 A H8 3.100 2.100 4.100 2.631 2.453 2.952 . 0 0 "[ .]" 1
200 1 23 A H3' 1 23 A H8 3.440 2.380 4.500 3.544 3.134 3.970 . 0 0 "[ .]" 1
201 1 18 U H1' 1 18 U H4' 3.160 2.160 4.130 2.886 2.703 3.144 . 0 0 "[ .]" 1
202 1 18 U H1' 1 18 U H3' 3.490 2.420 4.560 3.893 3.817 3.967 . 0 0 "[ .]" 1
203 1 19 C H1' 1 19 C H4' 3.390 2.340 4.440 3.406 3.317 3.495 . 0 0 "[ .]" 1
204 1 20 G H2' 1 21 G H8 3.680 2.570 4.790 4.066 3.731 4.328 . 0 0 "[ .]" 1
205 1 21 G H8 1 22 C H5 4.250 3.030 5.470 4.417 4.234 4.683 . 0 0 "[ .]" 1
206 1 29 A H1' 1 29 A H8 3.810 2.680 4.940 3.501 3.149 3.895 . 0 0 "[ .]" 1
207 1 29 A H8 1 30 C H5 3.710 2.600 4.820 4.827 4.805 4.845 0.025 4 0 "[ .]" 1
208 1 18 U H4' 1 19 C H6 3.860 2.720 5.000 4.975 4.813 5.064 0.064 1 0 "[ .]" 1
209 1 2 G H1' 1 2 G H8 3.700 2.590 4.810 3.612 3.468 3.755 . 0 0 "[ .]" 1
210 1 1 G H3' 1 2 G H8 3.270 2.250 4.290 3.404 2.765 4.342 0.052 2 0 "[ .]" 1
211 1 15 G H8 1 16 C H5 4.190 2.980 5.400 4.295 4.088 4.472 . 0 0 "[ .]" 1
212 1 15 G H3' 1 15 G H8 2.920 . 3.920 3.113 2.998 3.338 . 0 0 "[ .]" 1
213 1 15 G H2' 1 15 G H8 2.800 . 3.800 3.921 3.898 3.953 0.153 2 0 "[ .]" 1
214 1 5 U H1' 1 6 G H8 3.310 2.280 4.340 4.389 4.382 4.402 0.062 2 0 "[ .]" 1
215 1 8 A H2' 1 9 G H8 2.490 . 3.490 2.700 2.327 2.842 . 0 0 "[ .]" 1
216 1 9 G H3' 1 9 G H8 2.850 . 3.850 3.296 2.772 3.895 0.045 3 0 "[ .]" 1
217 1 4 G H8 1 5 U H5 3.800 2.670 4.930 4.604 4.404 4.932 0.002 3 0 "[ .]" 1
218 1 11 A H3' 1 11 A H4' 3.050 2.050 4.050 3.060 3.027 3.074 . 0 0 "[ .]" 1
219 1 33 G H8 1 34 C H5 3.770 2.650 4.890 4.489 3.855 4.903 0.013 3 0 "[ .]" 1
220 1 27 G H2' 1 27 G H8 3.200 2.190 4.210 4.200 4.103 4.235 0.025 4 0 "[ .]" 1
221 1 23 A H3' 1 24 G H8 3.270 2.250 4.290 2.432 2.217 2.829 0.033 4 0 "[ .]" 1
222 1 24 G H3' 1 24 G H8 3.230 2.210 4.250 2.864 2.790 2.960 . 0 0 "[ .]" 1
223 1 23 A H2' 1 24 G H8 3.550 2.470 4.630 3.332 2.817 4.041 . 0 0 "[ .]" 1
224 1 24 G H2' 1 24 G H8 4.110 2.920 5.300 4.221 4.075 4.314 . 0 0 "[ .]" 1
225 1 12 U H2' 1 12 U H4' 3.350 2.310 4.390 3.834 3.732 3.976 . 0 0 "[ .]" 1
226 1 12 U H3' 1 12 U H4' 2.940 . 3.940 3.084 3.067 3.096 . 0 0 "[ .]" 1
227 1 12 U H1' 1 12 U H4' 3.840 2.700 4.980 3.368 3.191 3.673 . 0 0 "[ .]" 1
228 1 19 C H4' 1 20 G H4' 3.390 2.340 4.440 3.834 3.633 4.323 . 0 0 "[ .]" 1
229 1 14 U H3 1 23 A H2 2.980 2.090 3.870 2.704 2.537 3.011 . 0 0 "[ .]" 1
230 1 5 U H3 1 31 A H2 2.800 . 3.640 3.137 2.874 3.415 . 0 0 "[ .]" 1
231 1 12 U H3 1 25 A H8 3.100 2.170 4.030 3.017 2.781 3.326 . 0 0 "[ .]" 1
232 1 14 U H3 1 23 A H62 3.610 2.530 4.690 4.352 3.978 4.584 . 0 0 "[ .]" 1
233 1 14 U H3 1 23 A H61 3.510 2.460 4.560 2.932 2.537 3.176 . 0 0 "[ .]" 1
234 1 12 U H3 1 25 A H62 3.180 2.230 4.130 2.676 2.214 2.818 0.016 2 0 "[ .]" 1
235 1 12 U H3 1 25 A H61 3.440 2.410 4.470 4.372 3.891 4.515 0.045 3 0 "[ .]" 1
236 1 21 G H1 1 21 G H22 2.920 2.040 3.800 3.458 3.434 3.470 . 0 0 "[ .]" 1
237 1 16 C H42 1 21 G H1 3.200 2.240 4.160 4.167 4.156 4.177 0.017 2 0 "[ .]" 1
238 1 16 C H41 1 21 G H1 2.990 2.090 3.890 2.658 2.641 2.689 . 0 0 "[ .]" 1
239 1 21 G H1 1 21 G H21 3.090 2.160 4.020 2.181 2.159 2.200 0.001 2 0 "[ .]" 1
240 1 12 U H6 1 24 G H1 3.710 2.600 4.820 3.723 3.052 4.151 . 0 0 "[ .]" 1
241 1 23 A H62 1 24 G H1 3.860 2.700 5.020 3.642 3.280 3.889 . 0 0 "[ .]" 1
242 1 23 A H61 1 24 G H1 3.980 2.790 5.170 3.469 3.303 3.588 . 0 0 "[ .]" 1
243 1 15 G H1 1 15 G H21 2.980 2.090 3.870 2.185 2.162 2.209 . 0 0 "[ .]" 1
244 1 15 G H1 1 22 C H42 3.260 2.280 4.240 4.050 3.881 4.240 0.000 2 0 "[ .]" 1
245 1 15 G H1 1 22 C H41 3.140 2.200 4.080 2.518 2.332 2.754 . 0 0 "[ .]" 1
246 1 15 G H1 1 15 G H22 2.980 2.090 3.870 3.459 3.445 3.482 . 0 0 "[ .]" 1
247 1 6 G H1 1 30 C H41 2.970 2.080 3.860 2.290 2.130 2.607 . 0 0 "[ .]" 1
248 1 6 G H1 1 30 C H42 3.210 2.250 4.170 3.815 3.687 4.059 . 0 0 "[ .]" 1
249 1 12 U H5 1 24 G H1 3.330 2.330 4.330 2.890 2.645 3.121 . 0 0 "[ .]" 1
250 1 20 G H1 1 21 G H1 4.880 3.420 5.500 3.599 3.381 4.357 0.039 1 0 "[ .]" 1
251 1 14 U H3 1 24 G H1 4.560 3.190 5.500 5.521 5.509 5.550 0.050 2 0 "[ .]" 1
252 1 14 U H3 1 15 G H1 5.000 3.500 5.500 5.385 5.275 5.480 . 0 0 "[ .]" 1
253 1 12 U H3 1 24 G H1 5.000 3.500 5.500 5.528 5.418 5.584 0.084 5 0 "[ .]" 1
254 1 5 U H3 1 6 G H1 4.920 3.440 5.500 4.934 4.813 5.090 . 0 0 "[ .]" 1
255 1 4 G H1 1 5 U H3 3.550 2.490 4.610 2.966 2.824 3.097 . 0 0 "[ .]" 1
256 1 15 G H1 1 21 G H1 3.910 2.740 5.080 3.604 3.352 4.025 . 0 0 "[ .]" 1
257 1 2 G H1 1 33 G H1 4.170 2.920 5.420 3.903 3.676 4.447 . 0 0 "[ .]" 1
258 1 6 G H1 1 7 U H3 5.000 3.500 5.500 3.476 3.432 3.499 0.068 5 0 "[ .]" 1
259 1 10 G H1 1 24 G H8 3.850 2.690 5.010 3.483 3.197 3.785 . 0 0 "[ .]" 1
260 1 10 G H1 1 24 G H2' 3.490 2.440 4.540 4.198 3.729 4.571 0.031 2 0 "[ .]" 1
261 1 10 G H1 1 24 G H3' 2.900 2.030 3.770 2.604 2.025 2.865 0.005 1 0 "[ .]" 1
262 1 17 U H3 1 20 G H1 4.880 3.420 5.500 4.603 3.560 5.257 . 0 0 "[ .]" 1
263 1 8 A H2 1 28 G H1 3.330 2.330 4.330 3.367 2.401 4.333 0.003 5 0 "[ .]" 1
264 1 7 U H3 1 29 A H2 3.170 2.220 4.120 3.623 3.332 3.733 . 0 0 "[ .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 109
_Distance_constraint_stats_list.Viol_count 99
_Distance_constraint_stats_list.Viol_total 16.232
_Distance_constraint_stats_list.Viol_max 0.137
_Distance_constraint_stats_list.Viol_rms 0.0180
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.0328
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 0.000 0.000 . 0 "[ .]"
1 2 G 0.134 0.048 2 0 "[ .]"
1 3 C 0.000 0.000 . 0 "[ .]"
1 4 G 0.008 0.008 3 0 "[ .]"
1 5 U 0.006 0.006 5 0 "[ .]"
1 6 G 0.237 0.096 5 0 "[ .]"
1 8 A 0.054 0.033 5 0 "[ .]"
1 9 G 0.102 0.036 4 0 "[ .]"
1 10 G 0.000 0.000 . 0 "[ .]"
1 11 A 0.018 0.018 4 0 "[ .]"
1 12 U 0.012 0.012 3 0 "[ .]"
1 13 A 0.000 0.000 . 0 "[ .]"
1 14 U 0.059 0.021 3 0 "[ .]"
1 15 G 0.131 0.036 2 0 "[ .]"
1 16 C 0.066 0.018 2 0 "[ .]"
1 17 U 0.180 0.079 2 0 "[ .]"
1 18 U 0.000 0.000 . 0 "[ .]"
1 19 C 0.176 0.079 2 0 "[ .]"
1 20 G 0.021 0.017 1 0 "[ .]"
1 21 G 0.169 0.058 2 0 "[ .]"
1 22 C 0.134 0.058 2 0 "[ .]"
1 23 A 0.033 0.025 5 0 "[ .]"
1 24 G 0.038 0.018 4 0 "[ .]"
1 25 A 0.000 0.000 . 0 "[ .]"
1 26 A 0.000 0.000 . 0 "[ .]"
1 27 G 0.000 0.000 . 0 "[ .]"
1 28 G 0.025 0.025 5 0 "[ .]"
1 29 A 0.332 0.086 1 0 "[ .]"
1 30 C 0.538 0.096 5 0 "[ .]"
1 31 A 0.008 0.008 3 0 "[ .]"
1 32 C 0.016 0.010 5 0 "[ .]"
1 33 G 0.064 0.025 2 0 "[ .]"
1 34 C 0.896 0.108 1 0 "[ .]"
1 35 C 1.604 0.137 5 0 "[ .]"
2 1 FMN 0.050 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 14 U H3 1 24 G H1' 3.910 2.740 5.080 4.109 3.644 4.643 . 0 0 "[ .]" 2
2 1 5 U H3 1 6 G H1' 3.860 2.700 5.020 4.743 4.102 5.026 0.006 5 0 "[ .]" 2
3 1 12 U H3 1 13 A H8 4.530 3.170 5.500 3.885 3.596 4.532 . 0 0 "[ .]" 2
4 1 4 G H1 1 31 A H2 3.710 2.600 4.820 4.590 4.214 4.828 0.008 3 0 "[ .]" 2
5 1 17 U H2' 1 20 G H1 3.600 2.520 4.680 3.614 3.344 3.816 . 0 0 "[ .]" 2
6 1 17 U H1' 1 20 G H1 3.370 2.360 4.380 2.908 2.357 4.241 0.003 2 0 "[ .]" 2
7 1 19 C H6 1 20 G H1 4.230 2.960 5.500 4.865 4.388 5.123 . 0 0 "[ .]" 2
8 1 20 G H1 1 21 G H8 4.460 3.120 5.500 5.236 4.455 5.517 0.017 1 0 "[ .]" 2
9 1 10 G H1' 1 24 G H1 3.550 2.480 4.620 3.975 3.788 4.313 . 0 0 "[ .]" 2
10 1 10 G H2' 1 24 G H1 3.480 2.440 4.520 3.293 2.896 3.784 . 0 0 "[ .]" 2
11 1 11 A H4' 1 24 G H1 4.030 2.820 5.240 3.081 2.802 3.475 0.018 4 0 "[ .]" 2
12 1 1 G H3' 1 1 G H4' 3.050 2.050 4.050 3.064 3.007 3.090 . 0 0 "[ .]" 2
13 1 34 C H2' 1 35 C H4' 3.560 2.560 4.560 4.560 4.483 4.590 0.030 3 0 "[ .]" 2
14 1 35 C H2' 1 35 C H4' 2.460 . 3.460 3.574 3.541 3.597 0.137 5 0 "[ .]" 2
15 1 34 C H3' 1 35 C H4' 3.740 2.720 4.760 4.804 4.772 4.868 0.108 1 0 "[ .]" 2
16 1 35 C H3' 1 35 C H4' 1.950 . 2.950 3.008 3.003 3.015 0.065 2 0 "[ .]" 2
17 1 35 C H1' 1 35 C H4' 2.710 . 3.710 2.821 2.691 2.907 . 0 0 "[ .]" 2
18 1 13 A H2' 1 14 U H4' 3.440 2.440 4.440 3.773 3.594 3.932 . 0 0 "[ .]" 2
19 1 35 C H1' 1 35 C H2' 1.980 . 2.980 2.908 2.898 2.927 . 0 0 "[ .]" 2
20 1 34 C H2' 1 35 C H3' 3.170 2.170 4.170 4.145 4.071 4.175 0.005 5 0 "[ .]" 2
21 1 34 C H2' 1 34 C H3' 2.400 . 3.400 2.141 2.099 2.173 . 0 0 "[ .]" 2
22 1 34 C H2' 1 35 C H5 2.740 . 3.740 3.773 3.759 3.798 0.058 1 0 "[ .]" 2
23 1 34 C H1' 1 34 C H2' 2.230 . 3.230 3.037 3.006 3.077 . 0 0 "[ .]" 2
24 1 25 A H2' 1 25 A H3' 3.250 2.250 4.250 2.356 2.330 2.427 . 0 0 "[ .]" 2
25 1 21 G H2' 1 21 G H3' 3.140 2.140 4.140 2.435 2.409 2.477 . 0 0 "[ .]" 2
26 1 21 G H1' 1 21 G H2' 2.570 . 3.570 2.771 2.754 2.794 . 0 0 "[ .]" 2
27 1 21 G H3' 1 21 G H4' 3.080 2.080 4.080 3.077 3.073 3.083 . 0 0 "[ .]" 2
28 1 34 C H5 1 35 C H5 3.630 2.630 4.630 3.356 2.901 3.698 . 0 0 "[ .]" 2
29 1 35 C H3' 1 35 C H5 3.380 2.380 4.380 4.391 4.370 4.418 0.038 1 0 "[ .]" 2
30 1 35 C H2' 1 35 C H5 3.650 2.650 4.650 4.688 4.669 4.703 0.053 5 0 "[ .]" 2
31 1 16 C H3' 1 16 C H4' 2.640 . 3.640 3.069 3.049 3.086 . 0 0 "[ .]" 2
32 1 16 C H2' 1 16 C H3' 2.540 . 3.540 2.395 2.370 2.439 . 0 0 "[ .]" 2
33 1 25 A H1' 1 25 A H3' 3.440 2.440 4.440 3.853 3.760 3.895 . 0 0 "[ .]" 2
34 1 25 A H1' 1 25 A H4' 3.560 2.560 4.560 3.315 3.158 3.546 . 0 0 "[ .]" 2
35 1 35 C H2' 1 35 C H6 2.820 . 3.820 3.008 2.955 3.067 . 0 0 "[ .]" 2
36 1 35 C H4' 1 35 C H6 3.170 2.170 4.170 4.168 4.147 4.186 0.016 2 0 "[ .]" 2
37 1 34 C H2' 1 35 C H6 2.160 . 3.160 2.700 2.635 2.757 . 0 0 "[ .]" 2
38 1 5 U H1' 1 5 U H6 2.880 . 3.880 3.648 3.610 3.692 . 0 0 "[ .]" 2
39 1 34 C H3' 1 34 C H6 2.500 . 3.500 3.484 3.173 3.571 0.071 3 0 "[ .]" 2
40 1 33 G H2' 1 34 C H6 2.200 . 3.200 3.091 2.663 3.225 0.025 2 0 "[ .]" 2
41 1 3 C H2' 1 3 C H6 3.290 2.290 4.290 3.838 3.148 4.221 . 0 0 "[ .]" 2
42 1 3 C H3' 1 3 C H6 2.820 . 3.820 2.632 2.196 3.079 . 0 0 "[ .]" 2
43 1 2 G H2' 1 3 C H6 2.600 . 3.600 2.826 2.363 3.216 . 0 0 "[ .]" 2
44 1 27 G H1' 1 27 G H2' 2.970 . 3.970 2.823 2.764 2.919 . 0 0 "[ .]" 2
45 1 1 G H4' 1 1 G H8 3.880 2.830 4.930 4.229 4.065 4.420 . 0 0 "[ .]" 2
46 1 31 A H3' 1 31 A H8 3.290 2.290 4.290 3.466 2.957 4.091 . 0 0 "[ .]" 2
47 1 30 C H3' 1 31 A H8 3.210 2.210 4.210 3.153 2.747 3.601 . 0 0 "[ .]" 2
48 1 21 G H4' 1 21 G H8 3.440 2.440 4.440 4.280 4.234 4.350 . 0 0 "[ .]" 2
49 1 28 G H3' 1 29 A H8 3.680 2.670 4.690 3.606 2.895 4.715 0.025 5 0 "[ .]" 2
50 1 10 G H1' 1 12 U H5 2.710 . 3.710 2.175 2.042 2.376 . 0 0 "[ .]" 2
51 1 10 G H1' 1 10 G H4' 3.840 2.800 4.880 3.320 3.191 3.546 . 0 0 "[ .]" 2
52 1 3 C H2' 1 4 G H8 2.460 . 3.460 2.287 2.168 2.427 . 0 0 "[ .]" 2
53 1 27 G H2' 1 28 G H8 2.800 . 3.800 2.831 2.274 3.103 . 0 0 "[ .]" 2
54 1 27 G H3' 1 28 G H8 3.110 2.110 4.110 2.863 2.555 3.209 . 0 0 "[ .]" 2
55 1 25 A H3' 1 26 A H8 3.440 2.440 4.440 2.970 2.719 3.233 . 0 0 "[ .]" 2
56 1 29 A H2 1 30 C H3' 4.290 2.570 5.500 5.561 5.544 5.586 0.086 1 0 "[ .]" 2
57 1 23 A H2 1 24 G H2' 4.070 2.420 5.500 5.402 5.241 5.505 0.005 5 0 "[ .]" 2
58 1 30 C H2' 1 30 C H3' 3.500 2.370 4.630 2.449 2.438 2.463 . 0 0 "[ .]" 2
59 1 17 U H3' 1 19 C H5 3.980 2.750 5.210 2.853 2.721 2.990 0.029 4 0 "[ .]" 2
60 1 19 C H2' 1 19 C H5 3.720 2.550 4.890 4.787 4.705 4.884 . 0 0 "[ .]" 2
61 1 18 U H3' 1 19 C H5 3.460 2.340 4.580 3.446 3.089 3.734 . 0 0 "[ .]" 2
62 1 17 U H2' 1 18 U H6 4.120 2.870 5.370 3.970 3.714 4.091 . 0 0 "[ .]" 2
63 1 12 U H2' 1 12 U H6 4.260 2.980 5.500 4.394 4.255 4.722 . 0 0 "[ .]" 2
64 1 12 U H4' 1 12 U H6 4.540 3.200 5.500 4.298 4.145 4.394 . 0 0 "[ .]" 2
65 1 17 U H3' 1 19 C H6 3.830 2.630 5.030 5.034 4.905 5.109 0.079 2 0 "[ .]" 2
66 1 32 C H1' 1 32 C H4' 3.280 2.190 4.370 3.433 2.999 3.660 . 0 0 "[ .]" 2
67 1 32 C H1' 1 32 C H2' 2.960 . 3.980 2.756 2.676 2.887 . 0 0 "[ .]" 2
68 1 32 C H1' 1 32 C H3' 3.480 2.350 4.610 3.748 3.695 3.804 . 0 0 "[ .]" 2
69 1 30 C H1' 1 30 C H4' 4.020 2.790 5.250 3.357 3.181 3.519 . 0 0 "[ .]" 2
70 1 17 U H3' 1 17 U H6 3.210 2.140 4.280 2.964 2.797 3.038 . 0 0 "[ .]" 2
71 1 17 U H4' 1 17 U H6 3.830 2.630 5.030 4.005 3.932 4.101 . 0 0 "[ .]" 2
72 1 21 G H3' 1 22 C H6 4.240 2.960 5.500 3.338 3.130 3.495 . 0 0 "[ .]" 2
73 1 28 G H1' 1 28 G H4' 3.800 2.610 4.990 3.452 3.071 3.631 . 0 0 "[ .]" 2
74 1 15 G H1' 1 15 G H3' 3.510 2.380 4.640 3.824 3.785 3.878 . 0 0 "[ .]" 2
75 1 23 A H4' 1 23 A H8 3.900 2.690 5.110 4.332 4.222 4.611 . 0 0 "[ .]" 2
76 1 21 G H2' 1 21 G H8 4.250 2.970 5.500 4.187 4.151 4.244 . 0 0 "[ .]" 2
77 1 29 A H3' 1 29 A H8 4.070 2.830 5.310 4.142 3.591 4.841 . 0 0 "[ .]" 2
78 1 26 A H4' 1 26 A H8 4.350 3.050 5.500 4.534 4.366 4.669 . 0 0 "[ .]" 2
79 1 14 U H3' 1 15 G H8 3.740 2.560 4.920 3.103 3.010 3.195 . 0 0 "[ .]" 2
80 1 14 U H4' 1 15 G H8 4.380 3.070 5.500 5.512 5.500 5.521 0.021 3 0 "[ .]" 2
81 1 9 G H4' 1 9 G H8 4.120 2.870 5.370 4.472 4.333 4.677 . 0 0 "[ .]" 2
82 1 28 G H4' 1 28 G H8 3.800 2.610 4.990 4.396 4.166 4.953 . 0 0 "[ .]" 2
83 1 33 G H2' 1 33 G H8 3.900 2.690 5.110 4.212 3.571 4.520 . 0 0 "[ .]" 2
84 1 32 C H3' 1 33 G H8 3.330 2.230 4.430 3.369 2.610 3.983 . 0 0 "[ .]" 2
85 1 32 C H2' 1 33 G H8 3.050 2.010 4.090 2.065 2.000 2.179 0.010 5 0 "[ .]" 2
86 1 33 G H4' 1 33 G H8 4.260 2.980 5.500 4.322 4.074 4.713 . 0 0 "[ .]" 2
87 1 14 U H3 1 22 C H41 4.670 3.840 5.500 5.148 4.552 5.460 . 0 0 "[ .]" 2
88 1 15 G H1 1 23 A H1' 3.390 2.370 4.410 4.147 3.921 4.435 0.025 5 0 "[ .]" 2
89 1 15 G H1 1 22 C H5 3.950 2.760 5.140 5.123 5.025 5.176 0.036 2 0 "[ .]" 2
90 1 15 G H1 1 23 A H2 4.620 3.230 5.500 4.825 4.516 5.014 . 0 0 "[ .]" 2
91 1 6 G H1 1 29 A H2 3.850 2.690 5.010 4.611 4.307 4.819 . 0 0 "[ .]" 2
92 1 12 U H3 1 24 G H2' 5.000 3.500 5.500 5.143 4.529 5.512 0.012 3 0 "[ .]" 2
93 1 6 G H1 1 30 C H5 3.730 2.610 4.850 4.896 4.868 4.946 0.096 5 0 "[ .]" 2
94 1 16 C H5 1 21 G H1 3.980 2.790 5.170 5.183 5.177 5.188 0.018 2 0 "[ .]" 2
95 1 21 G H1 1 22 C H1' 3.660 2.560 4.760 4.702 4.508 4.818 0.058 2 0 "[ .]" 2
96 1 2 G H1 1 34 C H5 3.950 2.760 5.140 5.167 5.156 5.188 0.048 2 0 "[ .]" 2
97 1 8 A H4' 1 8 A H8 3.580 2.430 4.730 4.430 4.184 4.731 0.001 1 0 "[ .]" 2
98 1 8 A H3' 1 8 A H8 3.650 2.490 4.810 3.609 3.089 4.775 . 0 0 "[ .]" 2
99 1 8 A H3' 1 9 G H8 3.660 2.500 4.820 2.764 2.467 3.687 0.033 5 0 "[ .]" 2
100 1 13 A H1' 1 13 A H8 4.400 3.090 5.500 3.491 3.343 3.603 . 0 0 "[ .]" 2
101 1 25 A H3' 1 25 A H8 3.750 2.570 4.930 3.833 3.033 4.155 . 0 0 "[ .]" 2
102 1 12 U H3' 1 13 A H8 3.130 2.130 4.130 3.364 2.591 3.571 . 0 0 "[ .]" 2
103 1 26 A H1' 1 26 A H2 4.590 3.210 5.500 4.958 4.910 5.009 . 0 0 "[ .]" 2
104 1 26 A H2 1 26 A H2' 4.610 3.230 5.500 4.375 4.274 4.484 . 0 0 "[ .]" 2
105 1 13 A H1' 1 13 A H2 4.780 3.350 5.500 5.114 4.884 5.385 . 0 0 "[ .]" 2
106 1 9 G H2' 2 1 FMN H9 2.520 2.020 3.020 2.595 2.345 3.034 0.014 3 0 "[ .]" 2
107 1 10 G H1' 2 1 FMN H9 3.170 2.540 3.800 3.090 2.942 3.344 . 0 0 "[ .]" 2
108 1 9 G H1' 2 1 FMN H9 3.990 2.820 5.160 4.909 4.628 5.196 0.036 4 0 "[ .]" 2
109 1 10 G H1 2 1 FMN H6 3.620 2.530 4.710 3.808 3.603 3.980 . 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 54
_Distance_constraint_stats_list.Viol_count 71
_Distance_constraint_stats_list.Viol_total 5.570
_Distance_constraint_stats_list.Viol_max 0.069
_Distance_constraint_stats_list.Viol_rms 0.0103
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0157
_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 0.111 0.023 4 0 "[ .]"
1 2 G 0.214 0.063 2 0 "[ .]"
1 3 C 0.275 0.069 1 0 "[ .]"
1 4 G 0.109 0.024 2 0 "[ .]"
1 5 U 0.039 0.017 2 0 "[ .]"
1 6 G 0.063 0.038 1 0 "[ .]"
1 7 U 0.142 0.031 5 0 "[ .]"
1 14 U 0.107 0.041 2 0 "[ .]"
1 15 G 0.026 0.009 4 0 "[ .]"
1 16 C 0.029 0.017 3 0 "[ .]"
1 21 G 0.029 0.017 3 0 "[ .]"
1 22 C 0.026 0.009 4 0 "[ .]"
1 23 A 0.107 0.041 2 0 "[ .]"
1 29 A 0.142 0.031 5 0 "[ .]"
1 30 C 0.063 0.038 1 0 "[ .]"
1 31 A 0.039 0.017 2 0 "[ .]"
1 32 C 0.109 0.024 2 0 "[ .]"
1 33 G 0.275 0.069 1 0 "[ .]"
1 34 C 0.214 0.063 2 0 "[ .]"
1 35 C 0.111 0.023 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 O6 1 35 C H41 2.000 . 2.200 2.110 2.054 2.211 0.011 2 0 "[ .]" 3
2 1 1 G H1 1 35 C N3 2.000 . 2.200 2.137 2.027 2.217 0.017 2 0 "[ .]" 3
3 1 1 G H21 1 35 C O2 2.000 . 2.200 2.098 2.018 2.144 . 0 0 "[ .]" 3
4 1 2 G O6 1 34 C H41 2.000 . 2.200 2.206 2.134 2.263 0.063 2 0 "[ .]" 3
5 1 2 G H1 1 34 C N3 2.000 . 2.200 2.030 1.899 2.095 . 0 0 "[ .]" 3
6 1 2 G H21 1 34 C O2 2.000 . 2.200 2.125 2.052 2.236 0.036 1 0 "[ .]" 3
7 1 3 C H41 1 33 G O6 2.000 . 2.200 2.193 2.073 2.269 0.069 1 0 "[ .]" 3
8 1 3 C N3 1 33 G H1 2.000 . 2.200 2.162 2.041 2.213 0.013 3 0 "[ .]" 3
9 1 3 C O2 1 33 G H21 2.000 . 2.200 2.157 2.085 2.216 0.016 1 0 "[ .]" 3
10 1 4 G O6 1 32 C H41 2.000 . 2.200 2.178 2.100 2.211 0.011 5 0 "[ .]" 3
11 1 4 G H1 1 32 C N3 2.000 . 2.200 2.208 2.189 2.224 0.024 2 0 "[ .]" 3
12 1 4 G H21 1 32 C O2 2.000 . 2.200 2.091 2.046 2.116 . 0 0 "[ .]" 3
13 1 5 U O4 1 31 A H61 2.000 . 2.200 1.972 1.849 2.135 . 0 0 "[ .]" 3
14 1 5 U H3 1 31 A N1 2.000 . 2.200 2.144 2.057 2.188 . 0 0 "[ .]" 3
15 1 6 G O6 1 30 C H41 2.000 . 2.200 1.919 1.830 1.979 . 0 0 "[ .]" 3
16 1 6 G H1 1 30 C N3 2.000 . 2.200 1.977 1.892 2.021 . 0 0 "[ .]" 3
17 1 6 G H21 1 30 C O2 2.000 . 2.200 2.126 2.082 2.148 . 0 0 "[ .]" 3
18 1 7 U O4 1 29 A H61 2.000 . 2.200 2.092 2.032 2.119 . 0 0 "[ .]" 3
19 1 7 U H3 1 29 A N1 2.000 . 2.200 2.207 2.181 2.231 0.031 5 0 "[ .]" 3
20 1 14 U O4 1 23 A H61 2.000 . 2.200 2.150 2.125 2.187 . 0 0 "[ .]" 3
21 1 14 U H3 1 23 A N1 2.000 . 2.200 1.977 1.920 2.038 . 0 0 "[ .]" 3
22 1 15 G O6 1 22 C H41 2.000 . 2.200 1.961 1.855 2.084 . 0 0 "[ .]" 3
23 1 15 G H1 1 22 C N3 2.000 . 2.200 2.070 2.024 2.096 . 0 0 "[ .]" 3
24 1 15 G H21 1 22 C O2 2.000 . 2.200 2.047 1.969 2.096 . 0 0 "[ .]" 3
25 1 16 C H41 1 21 G O6 2.000 . 2.200 1.926 1.857 1.993 . 0 0 "[ .]" 3
26 1 16 C N3 1 21 G H1 2.000 . 2.200 2.081 2.061 2.112 . 0 0 "[ .]" 3
27 1 16 C O2 1 21 G H21 2.000 . 2.200 2.103 2.079 2.135 . 0 0 "[ .]" 3
28 1 1 G O6 1 35 C N4 2.910 2.740 3.080 3.060 3.002 3.094 0.014 1 0 "[ .]" 3
29 1 1 G N1 1 35 C N3 2.950 2.750 3.150 3.110 3.038 3.164 0.014 2 0 "[ .]" 3
30 1 1 G N2 1 35 C O2 2.910 2.740 3.080 3.073 2.998 3.103 0.023 4 0 "[ .]" 3
31 1 2 G O6 1 34 C N4 2.910 2.740 3.080 2.976 2.819 3.091 0.011 4 0 "[ .]" 3
32 1 2 G N1 1 34 C N3 2.950 2.750 3.150 2.968 2.861 3.046 . 0 0 "[ .]" 3
33 1 2 G N2 1 34 C O2 2.910 2.740 3.080 3.068 3.027 3.106 0.026 2 0 "[ .]" 3
34 1 3 C N4 1 33 G O6 2.910 2.740 3.080 3.029 2.931 3.098 0.018 3 0 "[ .]" 3
35 1 3 C N3 1 33 G N1 2.950 2.750 3.150 3.089 2.998 3.151 0.001 3 0 "[ .]" 3
36 1 3 C O2 1 33 G N2 2.910 2.740 3.080 3.096 3.051 3.130 0.050 1 0 "[ .]" 3
37 1 4 G O6 1 32 C N4 2.910 2.740 3.080 3.079 3.046 3.095 0.015 1 0 "[ .]" 3
38 1 4 G N1 1 32 C N3 2.950 2.750 3.150 3.124 3.097 3.157 0.007 3 0 "[ .]" 3
39 1 4 G N2 1 32 C O2 2.910 2.740 3.080 3.036 2.932 3.087 0.007 4 0 "[ .]" 3
40 1 5 U O4 1 31 A N6 2.910 2.740 3.080 2.912 2.814 3.097 0.017 2 0 "[ .]" 3
41 1 5 U N3 1 31 A N1 2.950 2.750 3.150 3.137 3.068 3.161 0.011 4 0 "[ .]" 3
42 1 6 G O6 1 30 C N4 2.910 2.740 3.080 2.890 2.815 2.936 . 0 0 "[ .]" 3
43 1 6 G N1 1 30 C N3 2.950 2.750 3.150 2.976 2.912 3.001 . 0 0 "[ .]" 3
44 1 6 G N2 1 30 C O2 2.910 2.740 3.080 3.073 2.995 3.118 0.038 1 0 "[ .]" 3
45 1 7 U O4 1 29 A N6 2.910 2.740 3.080 3.047 2.984 3.083 0.003 4 0 "[ .]" 3
46 1 7 U N3 1 29 A N1 2.950 2.750 3.150 3.167 3.152 3.176 0.026 1 0 "[ .]" 3
47 1 14 U O4 1 23 A N6 2.910 2.740 3.080 3.101 3.085 3.121 0.041 2 0 "[ .]" 3
48 1 14 U N3 1 23 A N1 2.950 2.750 3.150 2.978 2.916 3.037 . 0 0 "[ .]" 3
49 1 15 G O6 1 22 C N4 2.910 2.740 3.080 2.956 2.844 3.085 0.005 1 0 "[ .]" 3
50 1 15 G N1 1 22 C N3 2.950 2.750 3.150 3.077 3.031 3.105 . 0 0 "[ .]" 3
51 1 15 G N2 1 22 C O2 2.910 2.740 3.080 3.032 2.946 3.089 0.009 4 0 "[ .]" 3
52 1 16 C N4 1 21 G O6 2.910 2.740 3.080 2.916 2.860 2.977 . 0 0 "[ .]" 3
53 1 16 C N3 1 21 G N1 2.950 2.750 3.150 3.076 3.056 3.089 . 0 0 "[ .]" 3
54 1 16 C O2 1 21 G N2 2.910 2.740 3.080 3.074 3.031 3.097 0.017 3 0 "[ .]" 3
stop_
save_
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