NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
639003 |
6ac7   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6ac7
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 48
_Distance_constraint_stats_list.Viol_count 105
_Distance_constraint_stats_list.Viol_total 16.798
_Distance_constraint_stats_list.Viol_max 0.054
_Distance_constraint_stats_list.Viol_rms 0.0085
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0035
_Distance_constraint_stats_list.Viol_average_violations_only 0.0160
_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 3 DG 0.128 0.028 9 0 "[ . 1]"
1 4 DG 0.033 0.017 6 0 "[ . 1]"
1 5 DG 0.721 0.054 8 0 "[ . 1]"
1 9 DG 0.482 0.047 10 0 "[ . 1]"
1 11 DG 0.267 0.045 4 0 "[ . 1]"
1 12 DG 0.149 0.021 8 0 "[ . 1]"
1 15 DG 0.314 0.029 5 0 "[ . 1]"
1 16 DG 0.245 0.045 4 0 "[ . 1]"
1 17 DG 0.239 0.037 10 0 "[ . 1]"
1 21 DG 0.292 0.029 5 0 "[ . 1]"
1 22 DG 0.012 0.012 9 0 "[ . 1]"
1 23 DG 0.478 0.054 8 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 DG H21 1 21 DG N7 2.000 . 2.200 2.144 1.995 2.228 0.028 9 0 "[ . 1]" 1
2 1 3 DG N2 1 21 DG N7 2.900 2.600 3.200 2.953 2.819 3.101 . 0 0 "[ . 1]" 1
3 1 3 DG H1 1 21 DG O6 2.000 . 2.200 2.001 1.833 2.181 . 0 0 "[ . 1]" 1
4 1 3 DG N1 1 21 DG O6 2.900 2.600 3.200 2.985 2.806 3.164 . 0 0 "[ . 1]" 1
5 1 15 DG N7 1 21 DG H21 2.000 . 2.200 2.168 2.039 2.229 0.029 5 0 "[ . 1]" 1
6 1 15 DG N7 1 21 DG N2 2.900 2.600 3.200 3.159 3.027 3.213 0.013 9 0 "[ . 1]" 1
7 1 15 DG O6 1 21 DG H1 2.000 . 2.200 1.803 1.776 1.886 0.024 10 0 "[ . 1]" 1
8 1 15 DG O6 1 21 DG N1 2.900 2.600 3.200 2.740 2.646 2.786 . 0 0 "[ . 1]" 1
9 1 12 DG N7 1 15 DG H21 2.000 . 2.200 1.876 1.787 1.971 0.013 7 0 "[ . 1]" 1
10 1 12 DG N7 1 15 DG N2 2.900 2.600 3.200 2.651 2.587 2.763 0.013 4 0 "[ . 1]" 1
11 1 12 DG O6 1 15 DG H1 2.000 . 2.200 1.962 1.873 2.085 . 0 0 "[ . 1]" 1
12 1 12 DG O6 1 15 DG N1 2.900 2.600 3.200 2.945 2.794 3.090 . 0 0 "[ . 1]" 1
13 1 3 DG N7 1 12 DG H21 2.000 . 2.200 2.001 1.799 2.134 0.001 9 0 "[ . 1]" 1
14 1 3 DG N7 1 12 DG N2 2.900 2.600 3.200 2.991 2.790 3.124 . 0 0 "[ . 1]" 1
15 1 3 DG O6 1 12 DG H1 2.000 . 2.200 1.814 1.779 1.900 0.021 8 0 "[ . 1]" 1
16 1 3 DG O6 1 12 DG N1 2.900 2.600 3.200 2.686 2.628 2.734 . 0 0 "[ . 1]" 1
17 1 4 DG H21 1 11 DG N7 2.000 . 2.200 2.021 1.892 2.217 0.017 6 0 "[ . 1]" 1
18 1 4 DG N2 1 11 DG N7 2.900 2.600 3.200 2.965 2.743 3.199 . 0 0 "[ . 1]" 1
19 1 4 DG H1 1 11 DG O6 2.000 . 2.200 1.957 1.793 2.204 0.007 7 0 "[ . 1]" 1
20 1 4 DG N1 1 11 DG O6 2.900 2.600 3.200 2.928 2.780 3.183 . 0 0 "[ . 1]" 1
21 1 11 DG H21 1 16 DG N7 2.000 . 2.200 1.888 1.773 2.020 0.027 4 0 "[ . 1]" 1
22 1 11 DG N2 1 16 DG N7 2.900 2.600 3.200 2.887 2.744 3.028 . 0 0 "[ . 1]" 1
23 1 11 DG H1 1 16 DG O6 2.000 . 2.200 2.202 2.036 2.245 0.045 4 0 "[ . 1]" 1
24 1 11 DG N1 1 16 DG O6 2.900 2.600 3.200 3.119 2.985 3.198 . 0 0 "[ . 1]" 1
25 1 16 DG H21 1 22 DG N7 2.000 . 2.200 2.018 1.901 2.090 . 0 0 "[ . 1]" 1
26 1 16 DG N2 1 22 DG N7 2.900 2.600 3.200 2.991 2.856 3.089 . 0 0 "[ . 1]" 1
27 1 16 DG H1 1 22 DG O6 2.000 . 2.200 1.996 1.788 2.157 0.012 9 0 "[ . 1]" 1
28 1 16 DG N1 1 22 DG O6 2.900 2.600 3.200 2.961 2.773 3.113 . 0 0 "[ . 1]" 1
29 1 4 DG N7 1 22 DG H21 2.000 . 2.200 1.979 1.800 2.068 . 9 0 "[ . 1]" 1
30 1 4 DG N7 1 22 DG N2 2.900 2.600 3.200 2.972 2.793 3.066 . 0 0 "[ . 1]" 1
31 1 4 DG O6 1 22 DG H1 2.000 . 2.200 2.076 1.940 2.169 . 0 0 "[ . 1]" 1
32 1 4 DG O6 1 22 DG N1 2.900 2.600 3.200 2.986 2.894 3.124 . 0 0 "[ . 1]" 1
33 1 5 DG H21 1 9 DG N7 2.000 . 2.200 1.918 1.769 2.216 0.031 6 0 "[ . 1]" 1
34 1 5 DG N2 1 9 DG N7 2.900 2.600 3.200 2.902 2.668 3.216 0.016 10 0 "[ . 1]" 1
35 1 5 DG H1 1 9 DG O6 2.000 . 2.200 1.834 1.753 2.228 0.047 10 0 "[ . 1]" 1
36 1 5 DG N1 1 9 DG O6 2.900 2.600 3.200 2.672 2.590 2.931 0.010 5 0 "[ . 1]" 1
37 1 9 DG H21 1 17 DG N7 2.000 . 2.200 1.788 1.763 1.816 0.037 10 0 "[ . 1]" 1
38 1 9 DG N2 1 17 DG N7 2.900 2.600 3.200 2.732 2.682 2.796 . 0 0 "[ . 1]" 1
39 1 9 DG H1 1 17 DG O6 2.000 . 2.200 2.161 2.060 2.223 0.023 10 0 "[ . 1]" 1
40 1 9 DG N1 1 17 DG O6 2.900 2.600 3.200 3.114 2.891 3.212 0.012 5 0 "[ . 1]" 1
41 1 17 DG H21 1 23 DG N7 2.000 . 2.200 1.971 1.819 2.181 . 0 0 "[ . 1]" 1
42 1 17 DG N2 1 23 DG N7 2.900 2.600 3.200 2.960 2.777 3.168 . 0 0 "[ . 1]" 1
43 1 17 DG H1 1 23 DG O6 2.000 . 2.200 1.995 1.790 2.213 0.013 9 0 "[ . 1]" 1
44 1 17 DG N1 1 23 DG O6 2.900 2.600 3.200 2.846 2.734 3.054 . 0 0 "[ . 1]" 1
45 1 5 DG N7 1 23 DG H21 2.000 . 2.200 1.778 1.750 1.792 0.050 8 0 "[ . 1]" 1
46 1 5 DG N7 1 23 DG N2 2.900 2.600 3.200 2.752 2.698 2.790 . 0 0 "[ . 1]" 1
47 1 5 DG O6 1 23 DG H1 2.000 . 2.200 2.198 2.086 2.254 0.054 8 0 "[ . 1]" 1
48 1 5 DG O6 1 23 DG N1 2.900 2.600 3.200 3.132 3.081 3.200 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 45
_Distance_constraint_stats_list.Viol_count 51
_Distance_constraint_stats_list.Viol_total 30.568
_Distance_constraint_stats_list.Viol_max 0.200
_Distance_constraint_stats_list.Viol_rms 0.0241
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0068
_Distance_constraint_stats_list.Viol_average_violations_only 0.0599
_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 2 DG 1.632 0.200 9 0 "[ . 1]"
1 3 DG 1.010 0.200 9 0 "[ . 1]"
1 4 DG 0.172 0.088 10 0 "[ . 1]"
1 5 DG 0.714 0.124 1 0 "[ . 1]"
1 7 DC 0.036 0.036 10 0 "[ . 1]"
1 8 DC 1.060 0.124 1 0 "[ . 1]"
1 9 DG 0.372 0.095 6 0 "[ . 1]"
1 11 DG 0.019 0.019 7 0 "[ . 1]"
1 12 DG 0.073 0.029 3 0 "[ . 1]"
1 14 DG 0.679 0.161 1 0 "[ . 1]"
1 15 DG 0.045 0.029 3 0 "[ . 1]"
1 16 DG 0.007 0.007 6 0 "[ . 1]"
1 17 DG 0.056 0.035 6 0 "[ . 1]"
1 21 DG 0.085 0.040 6 0 "[ . 1]"
1 22 DG 0.000 0.000 . 0 "[ . 1]"
1 23 DG 0.153 0.076 6 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 DG H1' 1 3 DG H1 3.600 2.700 4.500 4.546 4.066 4.700 0.200 9 0 "[ . 1]" 2
2 1 2 DG H2'' 1 3 DG H1 4.800 3.600 6.000 4.003 3.582 5.327 0.018 7 0 "[ . 1]" 2
3 1 2 DG H8 1 3 DG H1 3.600 2.700 4.500 4.036 3.281 4.434 . 0 0 "[ . 1]" 2
4 1 2 DG H8 1 12 DG H1 4.800 3.600 6.000 5.803 5.318 6.028 0.028 7 0 "[ . 1]" 2
5 1 2 DG H8 1 14 DG H1 5.500 3.800 7.200 3.744 3.639 3.921 0.161 1 0 "[ . 1]" 2
6 1 3 DG H8 1 12 DG H1 4.800 3.600 6.000 4.914 4.675 5.221 . 0 0 "[ . 1]" 2
7 1 4 DG H2' 1 23 DG H1 5.500 3.800 7.200 6.451 5.699 7.134 . 0 0 "[ . 1]" 2
8 1 4 DG H2'' 1 23 DG H1 5.500 3.800 7.200 6.152 5.376 6.899 . 0 0 "[ . 1]" 2
9 1 4 DG H8 1 22 DG H1 4.800 3.600 6.000 4.727 4.363 5.103 . 0 0 "[ . 1]" 2
10 1 4 DG H8 1 23 DG H1 5.500 3.800 7.200 5.665 5.036 6.207 . 0 0 "[ . 1]" 2
11 1 4 DG H1 1 5 DG H1 3.600 2.700 4.500 4.422 4.086 4.588 0.088 10 0 "[ . 1]" 2
12 1 4 DG H1 1 5 DG H1' 5.500 3.800 7.200 6.299 5.788 6.949 . 0 0 "[ . 1]" 2
13 1 5 DG H8 1 23 DG H1 4.800 3.600 6.000 4.653 4.079 5.283 . 0 0 "[ . 1]" 2
14 1 5 DG H1 1 7 DC H4' 3.600 2.700 4.500 3.598 2.828 4.536 0.036 10 0 "[ . 1]" 2
15 1 5 DG H1 1 8 DC H6 3.600 2.700 4.500 4.088 3.492 4.624 0.124 1 0 "[ . 1]" 2
16 1 8 DC H1' 1 9 DG H1 3.600 2.700 4.500 3.399 3.169 3.667 . 0 0 "[ . 1]" 2
17 1 8 DC H2'' 1 9 DG H1 5.500 3.800 7.200 5.595 5.270 5.988 . 0 0 "[ . 1]" 2
18 1 8 DC H4' 1 9 DG H1 4.800 3.600 6.000 5.352 4.975 5.806 . 0 0 "[ . 1]" 2
19 1 5 DG H1 1 8 DC H5 3.600 2.700 4.500 4.354 3.960 4.582 0.082 5 0 "[ . 1]" 2
20 1 8 DC H5 1 9 DG H1 5.500 3.800 7.200 3.944 3.705 4.699 0.095 6 0 "[ . 1]" 2
21 1 8 DC H5 1 17 DG H1 4.800 3.600 6.000 4.378 3.976 5.289 . 0 0 "[ . 1]" 2
22 1 8 DC H5 1 23 DG H1 3.600 2.700 4.500 4.235 3.549 4.576 0.076 6 0 "[ . 1]" 2
23 1 8 DC H6 1 9 DG H1 3.600 2.700 4.500 3.098 2.683 3.836 0.017 1 0 "[ . 1]" 2
24 1 8 DC H6 1 17 DG H1 4.800 3.600 6.000 5.808 5.559 6.035 0.035 6 0 "[ . 1]" 2
25 1 9 DG H1 1 11 DG H1 3.600 2.700 4.500 4.096 3.633 4.519 0.019 7 0 "[ . 1]" 2
26 1 5 DG H1 1 9 DG H8 4.800 3.600 6.000 4.605 3.783 5.266 . 0 0 "[ . 1]" 2
27 1 4 DG H1 1 11 DG H8 4.800 3.600 6.000 5.340 5.020 5.628 . 0 0 "[ . 1]" 2
28 1 5 DG H1 1 11 DG H8 5.500 3.800 7.200 5.979 5.442 6.586 . 0 0 "[ . 1]" 2
29 1 12 DG H8 1 15 DG H1 4.800 3.600 6.000 5.677 5.448 6.029 0.029 3 0 "[ . 1]" 2
30 1 14 DG H2' 1 15 DG H1 4.800 3.600 6.000 5.528 5.396 5.995 . 0 0 "[ . 1]" 2
31 1 14 DG H2'' 1 15 DG H1 4.800 3.600 6.000 4.298 4.010 5.260 . 0 0 "[ . 1]" 2
32 1 15 DG H8 1 21 DG H1 4.800 3.600 6.000 5.150 4.455 5.580 . 0 0 "[ . 1]" 2
33 1 9 DG H1 1 16 DG H2' 5.500 3.800 7.200 5.721 4.901 6.395 . 0 0 "[ . 1]" 2
34 1 9 DG H1 1 16 DG H2'' 5.500 3.800 7.200 5.606 4.520 6.303 . 0 0 "[ . 1]" 2
35 1 9 DG H1 1 16 DG H8 5.500 3.800 7.200 5.224 4.629 5.822 . 0 0 "[ . 1]" 2
36 1 11 DG H1 1 16 DG H8 4.800 3.600 6.000 4.615 4.170 4.899 . 0 0 "[ . 1]" 2
37 1 16 DG H1 1 17 DG H1 3.600 2.700 4.500 4.318 4.206 4.507 0.007 6 0 "[ . 1]" 2
38 1 9 DG H1 1 17 DG H8 4.800 3.600 6.000 4.895 4.321 5.355 . 0 0 "[ . 1]" 2
39 1 3 DG H1 1 21 DG H8 4.800 3.600 6.000 5.897 5.706 6.040 0.040 6 0 "[ . 1]" 2
40 1 17 DG H1 1 22 DG H2' 5.500 3.800 7.200 5.634 4.984 6.179 . 0 0 "[ . 1]" 2
41 1 17 DG H1 1 22 DG H2'' 5.500 3.800 7.200 5.755 5.278 6.077 . 0 0 "[ . 1]" 2
42 1 16 DG H1 1 22 DG H8 4.800 3.600 6.000 5.095 4.648 5.433 . 0 0 "[ . 1]" 2
43 1 17 DG H1 1 22 DG H8 4.800 3.600 6.000 5.194 4.524 5.688 . 0 0 "[ . 1]" 2
44 1 22 DG H1 1 23 DG H1 3.600 2.700 4.500 4.147 4.019 4.435 . 0 0 "[ . 1]" 2
45 1 17 DG H1 1 23 DG H8 4.800 3.600 6.000 4.554 4.035 5.133 . 0 0 "[ . 1]" 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 385
_Distance_constraint_stats_list.Viol_count 429
_Distance_constraint_stats_list.Viol_total 335.277
_Distance_constraint_stats_list.Viol_max 0.214
_Distance_constraint_stats_list.Viol_rms 0.0276
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0087
_Distance_constraint_stats_list.Viol_average_violations_only 0.0782
_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 DT 1.683 0.106 10 0 "[ . 1]"
1 2 DG 1.945 0.116 3 0 "[ . 1]"
1 3 DG 1.192 0.107 1 0 "[ . 1]"
1 4 DG 2.632 0.125 9 0 "[ . 1]"
1 5 DG 2.246 0.125 9 0 "[ . 1]"
1 6 DT 1.737 0.106 1 0 "[ . 1]"
1 7 DC 2.043 0.120 1 0 "[ . 1]"
1 8 DC 1.130 0.107 1 0 "[ . 1]"
1 9 DG 1.167 0.108 10 0 "[ . 1]"
1 10 DA 1.250 0.108 8 0 "[ . 1]"
1 11 DG 1.254 0.106 4 0 "[ . 1]"
1 12 DG 3.803 0.214 6 0 "[ . 1]"
1 13 DC 1.367 0.141 9 0 "[ . 1]"
1 14 DG 3.701 0.214 6 0 "[ . 1]"
1 15 DG 1.608 0.105 1 0 "[ . 1]"
1 16 DG 1.517 0.106 6 0 "[ . 1]"
1 17 DG 1.450 0.112 9 0 "[ . 1]"
1 18 DC 1.384 0.106 4 0 "[ . 1]"
1 19 DT 1.213 0.107 4 0 "[ . 1]"
1 20 DT 1.117 0.106 1 0 "[ . 1]"
1 21 DG 1.220 0.106 7 0 "[ . 1]"
1 22 DG 1.224 0.106 5 0 "[ . 1]"
1 23 DG 1.032 0.104 6 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DT C7 1 1 DT H6 2.700 . 3.500 2.660 2.658 2.661 . 0 0 "[ . 1]" 3
2 1 1 DT H1' 1 1 DT H6 3.800 2.900 4.700 3.729 3.723 3.733 . 0 0 "[ . 1]" 3
3 1 1 DT H1' 1 2 DG H8 5.500 3.800 7.200 6.090 5.626 6.923 . 0 0 "[ . 1]" 3
4 1 1 DT H1' 1 1 DT H2' 2.700 . 3.500 3.027 3.021 3.030 . 0 0 "[ . 1]" 3
5 1 1 DT H2' 1 1 DT H2'' 2.700 . 3.500 1.795 1.794 1.797 0.106 10 0 "[ . 1]" 3
6 1 1 DT H2' 1 1 DT H3' 2.700 . 3.500 2.335 2.307 2.347 . 0 0 "[ . 1]" 3
7 1 1 DT H2' 1 1 DT H6 2.700 . 3.500 2.296 2.195 2.398 . 0 0 "[ . 1]" 3
8 1 1 DT H2' 1 2 DG H8 3.800 2.900 4.700 4.309 3.436 4.786 0.086 2 0 "[ . 1]" 3
9 1 1 DT H1' 1 1 DT H2'' 2.700 . 3.500 2.295 2.189 2.413 . 0 0 "[ . 1]" 3
10 1 1 DT H2'' 1 1 DT H3' 2.700 . 3.500 2.881 2.744 2.993 . 0 0 "[ . 1]" 3
11 1 1 DT H2'' 1 1 DT H4' 3.800 2.900 4.700 3.939 3.806 4.009 . 0 0 "[ . 1]" 3
12 1 1 DT H2'' 1 1 DT H6 3.800 2.900 4.700 3.696 3.579 3.887 . 0 0 "[ . 1]" 3
13 1 1 DT H2'' 1 2 DG H8 3.800 2.900 4.700 4.353 3.359 4.777 0.077 8 0 "[ . 1]" 3
14 1 1 DT H1' 1 1 DT H3' 3.800 2.900 4.700 3.819 3.805 3.852 . 0 0 "[ . 1]" 3
15 1 1 DT H3' 1 1 DT H6 3.800 2.900 4.700 4.061 3.937 4.140 . 0 0 "[ . 1]" 3
16 1 1 DT H1' 1 1 DT H4' 3.800 2.900 4.700 2.991 2.905 3.053 . 0 0 "[ . 1]" 3
17 1 1 DT H3' 1 1 DT H4' 2.700 . 3.500 2.857 2.834 2.899 . 0 0 "[ . 1]" 3
18 1 1 DT H4' 1 1 DT H6 5.500 3.800 7.200 4.586 4.541 4.638 . 0 0 "[ . 1]" 3
19 1 1 DT H5' 1 1 DT H6 3.800 2.900 4.700 4.019 3.125 4.760 0.060 1 0 "[ . 1]" 3
20 1 1 DT H5'' 1 1 DT H6 3.800 2.900 4.700 3.688 3.010 4.644 . 0 0 "[ . 1]" 3
21 1 2 DG H1' 1 2 DG H8 2.700 . 3.500 2.638 2.578 3.089 . 0 0 "[ . 1]" 3
22 1 2 DG H1' 1 2 DG H2' 2.700 . 3.500 3.020 2.970 3.029 . 0 0 "[ . 1]" 3
23 1 2 DG H2' 1 2 DG H2'' 2.700 . 3.500 1.797 1.794 1.799 0.106 3 0 "[ . 1]" 3
24 1 2 DG H2' 1 2 DG H3' 2.700 . 3.500 2.334 2.282 2.372 . 0 0 "[ . 1]" 3
25 1 2 DG H2' 1 2 DG H8 3.800 2.900 4.700 4.546 4.426 4.590 . 0 0 "[ . 1]" 3
26 1 2 DG H1' 1 2 DG H2'' 2.700 . 3.500 2.273 2.195 2.447 . 0 0 "[ . 1]" 3
27 1 2 DG H2'' 1 2 DG H3' 2.700 . 3.500 2.901 2.639 3.000 . 0 0 "[ . 1]" 3
28 1 2 DG H2'' 1 2 DG H8 3.800 2.900 4.700 4.139 3.867 4.720 0.020 1 0 "[ . 1]" 3
29 1 2 DG H1' 1 2 DG H4' 3.800 2.900 4.700 3.007 2.784 3.331 0.116 3 0 "[ . 1]" 3
30 1 2 DG H3' 1 2 DG H4' 2.700 . 3.500 2.860 2.753 2.997 . 0 0 "[ . 1]" 3
31 1 3 DG H1' 1 3 DG H8 2.700 . 3.500 2.593 2.592 2.595 . 0 0 "[ . 1]" 3
32 1 3 DG H1' 1 4 DG H8 3.800 2.900 4.700 4.387 4.289 4.488 . 0 0 "[ . 1]" 3
33 1 3 DG H1' 1 3 DG H2' 2.700 . 3.500 3.024 3.002 3.027 . 0 0 "[ . 1]" 3
34 1 3 DG H2' 1 3 DG H2'' 2.700 . 3.500 1.795 1.793 1.796 0.107 1 0 "[ . 1]" 3
35 1 3 DG H2' 1 3 DG H3' 2.700 . 3.500 2.338 2.321 2.359 . 0 0 "[ . 1]" 3
36 1 3 DG H2' 1 3 DG H8 3.800 2.900 4.700 4.506 4.448 4.562 . 0 0 "[ . 1]" 3
37 1 3 DG H2' 1 4 DG H8 3.800 2.900 4.700 2.950 2.876 3.171 0.024 4 0 "[ . 1]" 3
38 1 3 DG H1' 1 3 DG H2'' 2.700 . 3.500 2.208 2.187 2.237 . 0 0 "[ . 1]" 3
39 1 3 DG H2'' 1 3 DG H3' 2.700 . 3.500 2.956 2.895 2.990 . 0 0 "[ . 1]" 3
40 1 3 DG H2'' 1 3 DG H8 5.500 3.800 7.200 3.860 3.785 4.004 0.015 3 0 "[ . 1]" 3
41 1 3 DG H2'' 1 4 DG H8 2.700 . 3.500 2.254 2.189 2.346 . 0 0 "[ . 1]" 3
42 1 3 DG H1' 1 3 DG H3' 3.800 2.900 4.700 3.830 3.813 3.924 . 0 0 "[ . 1]" 3
43 1 3 DG H3' 1 3 DG H8 5.500 3.800 7.200 6.115 6.077 6.157 . 0 0 "[ . 1]" 3
44 1 3 DG H3' 1 4 DG H8 3.800 2.900 4.700 4.177 3.990 4.484 . 0 0 "[ . 1]" 3
45 1 3 DG H1' 1 3 DG H4' 2.700 . 3.500 3.072 2.922 3.575 0.075 9 0 "[ . 1]" 3
46 1 3 DG H3' 1 3 DG H4' 2.700 . 3.500 2.837 2.711 2.882 . 0 0 "[ . 1]" 3
47 1 3 DG H8 1 4 DG H8 5.500 3.800 7.200 5.371 5.273 5.526 . 0 0 "[ . 1]" 3
48 1 3 DG H8 1 4 DG H1' 5.500 3.800 7.200 4.863 4.669 5.063 . 0 0 "[ . 1]" 3
49 1 4 DG H1' 1 4 DG H8 3.800 2.900 4.700 3.902 3.892 3.908 . 0 0 "[ . 1]" 3
50 1 4 DG H1' 1 5 DG H8 3.800 2.900 4.700 3.717 3.381 3.887 . 0 0 "[ . 1]" 3
51 1 4 DG H1' 1 4 DG H2' 2.700 . 3.500 3.027 3.025 3.029 . 0 0 "[ . 1]" 3
52 1 4 DG H2' 1 4 DG H2'' 2.700 . 3.500 1.794 1.793 1.795 0.107 6 0 "[ . 1]" 3
53 1 4 DG H2' 1 4 DG H3' 2.700 . 3.500 2.363 2.356 2.374 . 0 0 "[ . 1]" 3
54 1 4 DG H2' 1 4 DG H8 2.700 . 3.500 2.272 2.200 2.321 . 0 0 "[ . 1]" 3
55 1 4 DG H2' 1 5 DG H8 3.800 2.900 4.700 4.301 4.124 4.412 . 0 0 "[ . 1]" 3
56 1 4 DG H1' 1 4 DG H2'' 2.700 . 3.500 2.260 2.191 2.397 . 0 0 "[ . 1]" 3
57 1 4 DG H2'' 1 4 DG H3' 2.700 . 3.500 2.879 2.726 2.955 . 0 0 "[ . 1]" 3
58 1 4 DG H2'' 1 4 DG H8 2.700 . 3.500 3.583 3.565 3.605 0.105 3 0 "[ . 1]" 3
59 1 4 DG H2'' 1 5 DG H8 3.800 2.900 4.700 2.831 2.775 2.890 0.125 9 0 "[ . 1]" 3
60 1 4 DG H1' 1 4 DG H3' 3.800 2.900 4.700 3.812 3.797 3.829 . 0 0 "[ . 1]" 3
61 1 4 DG H3' 1 4 DG H8 3.800 2.900 4.700 4.364 4.320 4.389 . 0 0 "[ . 1]" 3
62 1 4 DG H3' 1 5 DG H8 5.500 3.800 7.200 5.641 5.371 5.785 . 0 0 "[ . 1]" 3
63 1 3 DG H8 1 4 DG H4' 3.800 2.900 4.700 4.554 4.365 4.697 . 0 0 "[ . 1]" 3
64 1 4 DG H1' 1 4 DG H4' 3.800 2.900 4.700 3.235 3.189 3.335 . 0 0 "[ . 1]" 3
65 1 4 DG H3' 1 4 DG H4' 2.700 . 3.500 2.780 2.754 2.794 . 0 0 "[ . 1]" 3
66 1 4 DG H4' 1 4 DG H8 5.500 3.800 7.200 4.961 4.929 5.018 . 0 0 "[ . 1]" 3
67 1 3 DG H8 1 4 DG H5' 3.800 2.900 4.700 4.046 3.910 4.191 . 0 0 "[ . 1]" 3
68 1 4 DG H5' 1 4 DG H8 5.500 3.800 7.200 4.345 4.239 4.391 . 0 0 "[ . 1]" 3
69 1 3 DG H8 1 4 DG H5'' 5.500 3.800 7.200 5.693 5.542 5.816 . 0 0 "[ . 1]" 3
70 1 4 DG H5'' 1 4 DG H8 5.500 3.800 7.200 4.828 4.676 4.896 . 0 0 "[ . 1]" 3
71 1 5 DG H1' 1 5 DG H8 3.800 2.900 4.700 3.905 3.868 3.917 . 0 0 "[ . 1]" 3
72 1 5 DG H1' 1 6 DT H6 3.800 2.900 4.700 3.977 3.614 4.505 . 0 0 "[ . 1]" 3
73 1 5 DG H1' 1 5 DG H2' 2.700 . 3.500 3.021 2.998 3.028 . 0 0 "[ . 1]" 3
74 1 5 DG H2' 1 5 DG H2'' 2.700 . 3.500 1.794 1.793 1.796 0.107 6 0 "[ . 1]" 3
75 1 5 DG H2' 1 5 DG H3' 2.700 . 3.500 2.326 2.300 2.355 . 0 0 "[ . 1]" 3
76 1 5 DG H2' 1 5 DG H8 2.700 . 3.500 2.593 2.266 3.013 . 0 0 "[ . 1]" 3
77 1 5 DG H2' 1 7 DC H5 3.800 2.900 4.700 3.392 3.175 3.736 . 0 0 "[ . 1]" 3
78 1 5 DG H2' 1 7 DC H6 3.800 2.900 4.700 4.707 4.425 4.814 0.114 8 0 "[ . 1]" 3
79 1 5 DG H1' 1 5 DG H2'' 2.700 . 3.500 2.408 2.193 2.578 . 0 0 "[ . 1]" 3
80 1 5 DG H2'' 1 5 DG H3' 2.700 . 3.500 2.743 2.505 2.967 . 0 0 "[ . 1]" 3
81 1 5 DG H2'' 1 5 DG H4' 3.800 2.900 4.700 3.866 3.739 4.057 . 0 0 "[ . 1]" 3
82 1 5 DG H2'' 1 5 DG H8 3.800 2.900 4.700 4.058 3.747 4.356 . 0 0 "[ . 1]" 3
83 1 5 DG H2'' 1 7 DC H5 3.800 2.900 4.700 3.612 2.888 4.193 0.012 9 0 "[ . 1]" 3
84 1 5 DG H2'' 1 7 DC H6 3.800 2.900 4.700 4.173 3.665 4.305 . 0 0 "[ . 1]" 3
85 1 5 DG H1' 1 5 DG H3' 3.800 2.900 4.700 3.848 3.807 3.931 . 0 0 "[ . 1]" 3
86 1 5 DG H3' 1 5 DG H8 3.800 2.900 4.700 4.326 4.109 4.641 . 0 0 "[ . 1]" 3
87 1 5 DG H1' 1 5 DG H4' 2.700 . 3.500 3.017 2.837 3.572 0.072 4 0 "[ . 1]" 3
88 1 5 DG H3' 1 5 DG H4' 2.700 . 3.500 2.861 2.717 2.915 . 0 0 "[ . 1]" 3
89 1 5 DG H4' 1 5 DG H8 5.500 3.800 7.200 4.840 4.623 4.947 . 0 0 "[ . 1]" 3
90 1 4 DG H8 1 5 DG H8 5.500 3.800 7.200 5.260 4.927 5.520 . 0 0 "[ . 1]" 3
91 1 5 DG H4' 1 6 DT C7 5.500 3.800 7.200 4.919 4.345 6.523 . 0 0 "[ . 1]" 3
92 1 6 DT C7 1 6 DT H6 2.700 . 3.500 2.660 2.659 2.661 . 0 0 "[ . 1]" 3
93 1 6 DT H1' 1 6 DT H6 3.800 2.900 4.700 3.731 3.727 3.734 . 0 0 "[ . 1]" 3
94 1 6 DT H1' 1 6 DT H2' 2.700 . 3.500 3.028 3.026 3.029 . 0 0 "[ . 1]" 3
95 1 6 DT H2' 1 6 DT H2'' 2.700 . 3.500 1.796 1.794 1.797 0.106 1 0 "[ . 1]" 3
96 1 6 DT H2' 1 6 DT H3' 2.700 . 3.500 2.340 2.327 2.356 . 0 0 "[ . 1]" 3
97 1 6 DT H2' 1 6 DT H6 2.700 . 3.500 2.191 2.189 2.194 . 0 0 "[ . 1]" 3
98 1 6 DT H1' 1 6 DT H2'' 2.700 . 3.500 2.200 2.192 2.208 . 0 0 "[ . 1]" 3
99 1 6 DT H2'' 1 6 DT H3' 2.700 . 3.500 2.972 2.959 2.988 . 0 0 "[ . 1]" 3
100 1 6 DT H2'' 1 6 DT H6 2.700 . 3.500 3.528 3.516 3.544 0.044 8 0 "[ . 1]" 3
101 1 6 DT H1' 1 6 DT H3' 3.800 2.900 4.700 3.812 3.799 3.824 . 0 0 "[ . 1]" 3
102 1 6 DT H3' 1 6 DT H6 3.800 2.900 4.700 4.049 3.991 4.101 . 0 0 "[ . 1]" 3
103 1 6 DT H1' 1 6 DT H4' 3.800 2.900 4.700 3.021 2.956 3.119 . 0 0 "[ . 1]" 3
104 1 6 DT H3' 1 6 DT H4' 2.700 . 3.500 2.845 2.814 2.869 . 0 0 "[ . 1]" 3
105 1 6 DT H4' 1 6 DT H6 3.800 2.900 4.700 4.629 4.598 4.645 . 0 0 "[ . 1]" 3
106 1 6 DT H5' 1 6 DT H6 3.800 2.900 4.700 4.158 2.901 4.741 0.041 9 0 "[ . 1]" 3
107 1 6 DT H5'' 1 6 DT H6 3.800 2.900 4.700 4.513 3.145 4.799 0.099 2 0 "[ . 1]" 3
108 1 7 DC H1' 1 7 DC H6 3.800 2.900 4.700 3.734 3.725 3.736 . 0 0 "[ . 1]" 3
109 1 7 DC H1' 1 8 DC H5 2.700 . 3.500 2.889 2.247 3.393 . 0 0 "[ . 1]" 3
110 1 7 DC H1' 1 7 DC H2' 2.700 . 3.500 3.028 3.020 3.032 . 0 0 "[ . 1]" 3
111 1 7 DC H2' 1 7 DC H2'' 2.700 . 3.500 1.796 1.793 1.797 0.107 10 0 "[ . 1]" 3
112 1 7 DC H2' 1 7 DC H3' 2.700 . 3.500 2.337 2.297 2.359 . 0 0 "[ . 1]" 3
113 1 7 DC H2' 1 7 DC H6 2.700 . 3.500 2.225 2.186 2.366 . 0 0 "[ . 1]" 3
114 1 7 DC H1' 1 7 DC H2'' 2.700 . 3.500 2.195 2.182 2.202 . 0 0 "[ . 1]" 3
115 1 7 DC H2'' 1 7 DC H3' 2.700 . 3.500 2.987 2.956 3.022 . 0 0 "[ . 1]" 3
116 1 7 DC H2'' 1 7 DC H6 2.700 . 3.500 3.550 3.523 3.620 0.120 1 0 "[ . 1]" 3
117 1 7 DC H2'' 1 8 DC H5 3.800 2.900 4.700 4.217 3.372 4.755 0.055 4 0 "[ . 1]" 3
118 1 7 DC H1' 1 7 DC H3' 3.800 2.900 4.700 3.810 3.789 3.853 . 0 0 "[ . 1]" 3
119 1 7 DC H3' 1 7 DC H6 3.800 2.900 4.700 4.054 3.793 4.192 . 0 0 "[ . 1]" 3
120 1 7 DC H1' 1 7 DC H4' 2.700 . 3.500 2.966 2.754 3.135 . 0 0 "[ . 1]" 3
121 1 7 DC H3' 1 7 DC H4' 2.700 . 3.500 2.860 2.811 2.942 . 0 0 "[ . 1]" 3
122 1 7 DC H4' 1 7 DC H6 3.800 2.900 4.700 4.637 4.552 4.692 . 0 0 "[ . 1]" 3
123 1 7 DC H5 1 7 DC H6 2.700 . 3.500 2.451 2.449 2.452 . 0 0 "[ . 1]" 3
124 1 8 DC H1' 1 8 DC H6 3.800 2.900 4.700 3.293 3.129 3.430 . 0 0 "[ . 1]" 3
125 1 8 DC H1' 1 8 DC H2' 2.700 . 3.500 3.006 2.900 3.025 . 0 0 "[ . 1]" 3
126 1 8 DC H2' 1 8 DC H2'' 2.700 . 3.500 1.794 1.793 1.795 0.107 1 0 "[ . 1]" 3
127 1 8 DC H2' 1 8 DC H3' 2.700 . 3.500 2.326 2.308 2.360 . 0 0 "[ . 1]" 3
128 1 8 DC H1' 1 8 DC H2'' 2.700 . 3.500 2.408 2.380 2.447 . 0 0 "[ . 1]" 3
129 1 8 DC H2'' 1 8 DC H3' 2.700 . 3.500 2.725 2.671 2.776 . 0 0 "[ . 1]" 3
130 1 8 DC H1' 1 8 DC H3' 3.800 2.900 4.700 3.876 3.825 4.092 . 0 0 "[ . 1]" 3
131 1 8 DC H1' 1 8 DC H4' 3.800 2.900 4.700 3.214 2.982 3.870 . 0 0 "[ . 1]" 3
132 1 8 DC H3' 1 8 DC H4' 2.700 . 3.500 2.818 2.705 2.880 . 0 0 "[ . 1]" 3
133 1 8 DC H4' 1 8 DC H6 3.800 2.900 4.700 4.105 3.710 4.198 . 0 0 "[ . 1]" 3
134 1 8 DC H5 1 8 DC H6 2.700 . 3.500 2.451 2.449 2.453 . 0 0 "[ . 1]" 3
135 1 9 DG H1' 1 9 DG H8 2.700 . 3.500 2.596 2.592 2.601 . 0 0 "[ . 1]" 3
136 1 9 DG H1' 1 9 DG H2' 2.700 . 3.500 3.024 3.015 3.028 . 0 0 "[ . 1]" 3
137 1 9 DG H2' 1 9 DG H2'' 2.700 . 3.500 1.794 1.792 1.796 0.108 10 0 "[ . 1]" 3
138 1 9 DG H2' 1 9 DG H3' 2.700 . 3.500 2.334 2.300 2.363 . 0 0 "[ . 1]" 3
139 1 9 DG H2' 1 9 DG H8 5.500 3.800 7.200 4.544 4.321 4.626 . 0 0 "[ . 1]" 3
140 1 9 DG H1' 1 9 DG H2'' 2.700 . 3.500 2.386 2.198 2.458 . 0 0 "[ . 1]" 3
141 1 9 DG H2'' 1 9 DG H3' 2.700 . 3.500 2.769 2.665 2.906 . 0 0 "[ . 1]" 3
142 1 9 DG H2'' 1 9 DG H8 3.800 2.900 4.700 4.215 3.685 4.378 . 0 0 "[ . 1]" 3
143 1 9 DG H1' 1 9 DG H3' 3.800 2.900 4.700 3.833 3.811 3.875 . 0 0 "[ . 1]" 3
144 1 9 DG H3' 1 9 DG H8 5.500 3.800 7.200 6.125 6.055 6.139 . 0 0 "[ . 1]" 3
145 1 9 DG H1' 1 9 DG H4' 3.800 2.900 4.700 3.053 2.882 3.438 0.018 10 0 "[ . 1]" 3
146 1 9 DG H3' 1 9 DG H4' 2.700 . 3.500 2.844 2.739 2.916 . 0 0 "[ . 1]" 3
147 1 9 DG H4' 1 9 DG H8 5.500 3.800 7.200 5.353 5.158 5.808 . 0 0 "[ . 1]" 3
148 1 10 DA H1' 1 10 DA H8 3.800 2.900 4.700 3.873 3.645 3.909 . 0 0 "[ . 1]" 3
149 1 10 DA H1' 1 10 DA H2' 2.700 . 3.500 3.022 2.979 3.032 . 0 0 "[ . 1]" 3
150 1 10 DA H2' 1 10 DA H2'' 2.700 . 3.500 1.795 1.792 1.796 0.108 8 0 "[ . 1]" 3
151 1 10 DA H2' 1 10 DA H3' 2.700 . 3.500 2.330 2.312 2.357 . 0 0 "[ . 1]" 3
152 1 10 DA H2' 1 10 DA H4' 5.500 3.800 7.200 3.868 3.835 3.887 . 0 0 "[ . 1]" 3
153 1 10 DA H2' 1 10 DA H8 2.700 . 3.500 2.205 2.181 2.279 . 0 0 "[ . 1]" 3
154 1 10 DA H1' 1 10 DA H2'' 2.700 . 3.500 2.341 2.175 2.444 . 0 0 "[ . 1]" 3
155 1 10 DA H2'' 1 10 DA H3' 2.700 . 3.500 2.827 2.724 2.992 . 0 0 "[ . 1]" 3
156 1 10 DA H2'' 1 10 DA H4' 3.800 2.900 4.700 3.914 3.802 4.065 . 0 0 "[ . 1]" 3
157 1 10 DA H2'' 1 10 DA H8 3.800 2.900 4.700 3.524 2.931 3.788 . 0 0 "[ . 1]" 3
158 1 9 DG H1' 1 10 DA H3' 3.800 2.900 4.700 4.194 2.974 4.741 0.041 3 0 "[ . 1]" 3
159 1 9 DG H8 1 10 DA H3' 5.500 3.800 7.200 5.776 4.732 6.784 . 0 0 "[ . 1]" 3
160 1 10 DA H1' 1 10 DA H3' 3.800 2.900 4.700 3.838 3.808 3.978 . 0 0 "[ . 1]" 3
161 1 10 DA H3' 1 10 DA H8 3.800 2.900 4.700 4.263 3.965 4.506 . 0 0 "[ . 1]" 3
162 1 10 DA H1' 1 10 DA H4' 3.800 2.900 4.700 3.022 2.847 3.653 0.053 2 0 "[ . 1]" 3
163 1 10 DA H3' 1 10 DA H4' 2.700 . 3.500 2.854 2.714 2.907 . 0 0 "[ . 1]" 3
164 1 10 DA H4' 1 10 DA H8 5.500 3.800 7.200 5.119 4.698 5.537 . 0 0 "[ . 1]" 3
165 1 11 DG H1' 1 11 DG H8 2.700 . 3.500 2.593 2.589 2.602 . 0 0 "[ . 1]" 3
166 1 11 DG H1' 1 12 DG H8 3.800 2.900 4.700 4.465 4.212 4.718 0.018 2 0 "[ . 1]" 3
167 1 11 DG H1' 1 11 DG H2' 2.700 . 3.500 3.025 3.020 3.027 . 0 0 "[ . 1]" 3
168 1 11 DG H2' 1 11 DG H2'' 2.700 . 3.500 1.795 1.794 1.796 0.106 4 0 "[ . 1]" 3
169 1 11 DG H2' 1 11 DG H3' 2.700 . 3.500 2.318 2.305 2.337 . 0 0 "[ . 1]" 3
170 1 11 DG H2' 1 11 DG H8 3.800 2.900 4.700 4.475 4.312 4.564 . 0 0 "[ . 1]" 3
171 1 11 DG H2' 1 12 DG H8 2.700 . 3.500 3.003 2.686 3.193 . 0 0 "[ . 1]" 3
172 1 11 DG H1' 1 11 DG H2'' 2.700 . 3.500 2.196 2.192 2.202 . 0 0 "[ . 1]" 3
173 1 11 DG H2'' 1 11 DG H3' 2.700 . 3.500 2.999 2.966 3.014 . 0 0 "[ . 1]" 3
174 1 11 DG H2'' 1 11 DG H8 3.800 2.900 4.700 3.790 3.610 3.896 . 0 0 "[ . 1]" 3
175 1 11 DG H2'' 1 12 DG H8 2.700 . 3.500 2.439 2.289 2.629 . 0 0 "[ . 1]" 3
176 1 11 DG H1' 1 11 DG H3' 3.800 2.900 4.700 3.826 3.814 3.842 . 0 0 "[ . 1]" 3
177 1 11 DG H3' 1 11 DG H8 5.500 3.800 7.200 6.085 6.007 6.123 . 0 0 "[ . 1]" 3
178 1 11 DG H3' 1 12 DG H8 3.800 2.900 4.700 4.532 4.175 4.737 0.037 9 0 "[ . 1]" 3
179 1 9 DG H8 1 11 DG H4' 5.500 3.800 7.200 4.981 4.375 5.831 . 0 0 "[ . 1]" 3
180 1 11 DG H1' 1 11 DG H4' 2.700 . 3.500 2.858 2.775 3.043 . 0 0 "[ . 1]" 3
181 1 11 DG H3' 1 11 DG H4' 2.700 . 3.500 2.898 2.844 2.928 . 0 0 "[ . 1]" 3
182 1 11 DG H8 1 12 DG H1' 3.800 2.900 4.700 4.652 4.431 4.737 0.037 10 0 "[ . 1]" 3
183 1 12 DG H1' 1 12 DG H8 3.800 2.900 4.700 3.919 3.910 3.924 . 0 0 "[ . 1]" 3
184 1 12 DG H1' 1 14 DG H8 3.800 2.900 4.700 4.747 4.554 4.821 0.121 5 0 "[ . 1]" 3
185 1 12 DG H1' 1 12 DG H2' 2.700 . 3.500 3.029 3.026 3.032 . 0 0 "[ . 1]" 3
186 1 12 DG H2' 1 12 DG H2'' 2.700 . 3.500 1.797 1.794 1.798 0.106 6 0 "[ . 1]" 3
187 1 12 DG H2' 1 12 DG H3' 2.700 . 3.500 2.353 2.332 2.363 . 0 0 "[ . 1]" 3
188 1 12 DG H2' 1 12 DG H8 2.700 . 3.500 2.376 2.316 2.420 . 0 0 "[ . 1]" 3
189 1 12 DG H2' 1 14 DG H8 5.500 3.800 7.200 3.740 3.693 3.770 0.107 6 0 "[ . 1]" 3
190 1 12 DG H1' 1 12 DG H2'' 2.700 . 3.500 2.492 2.317 2.637 . 0 0 "[ . 1]" 3
191 1 12 DG H2'' 1 12 DG H3' 2.700 . 3.500 2.595 2.307 2.838 . 0 0 "[ . 1]" 3
192 1 12 DG H2'' 1 12 DG H8 3.800 2.900 4.700 3.859 3.763 3.972 . 0 0 "[ . 1]" 3
193 1 12 DG H2'' 1 14 DG H8 5.500 3.800 7.200 3.778 3.680 3.932 0.120 7 0 "[ . 1]" 3
194 1 12 DG H1' 1 12 DG H3' 3.800 2.900 4.700 3.795 3.781 3.815 . 0 0 "[ . 1]" 3
195 1 12 DG H3' 1 12 DG H8 3.800 2.900 4.700 4.430 4.332 4.482 . 0 0 "[ . 1]" 3
196 1 11 DG H8 1 12 DG H4' 3.800 2.900 4.700 4.572 4.459 4.710 0.010 3 0 "[ . 1]" 3
197 1 12 DG H1' 1 12 DG H4' 2.700 . 3.500 3.098 3.016 3.162 . 0 0 "[ . 1]" 3
198 1 12 DG H3' 1 12 DG H4' 2.700 . 3.500 2.815 2.794 2.851 . 0 0 "[ . 1]" 3
199 1 12 DG H4' 1 12 DG H8 5.500 3.800 7.200 4.999 4.956 5.038 . 0 0 "[ . 1]" 3
200 1 13 DC H1' 1 13 DC H6 3.800 2.900 4.700 3.638 3.240 3.735 . 0 0 "[ . 1]" 3
201 1 13 DC H1' 1 13 DC H2' 2.700 . 3.500 3.024 3.017 3.030 . 0 0 "[ . 1]" 3
202 1 13 DC H2' 1 13 DC H2'' 2.700 . 3.500 1.795 1.793 1.797 0.107 5 0 "[ . 1]" 3
203 1 13 DC H2' 1 13 DC H3' 2.700 . 3.500 2.318 2.296 2.356 . 0 0 "[ . 1]" 3
204 1 13 DC H2' 1 13 DC H4' 3.800 2.900 4.700 3.873 3.830 3.888 . 0 0 "[ . 1]" 3
205 1 13 DC H2' 1 13 DC H6 2.700 . 3.500 2.199 2.189 2.217 . 0 0 "[ . 1]" 3
206 1 13 DC H2' 1 14 DG H8 3.800 2.900 4.700 4.004 3.054 4.760 0.060 5 0 "[ . 1]" 3
207 1 13 DC H1' 1 13 DC H2'' 2.700 . 3.500 2.420 2.250 2.643 . 0 0 "[ . 1]" 3
208 1 13 DC H2'' 1 13 DC H3' 2.700 . 3.500 2.738 2.293 2.935 . 0 0 "[ . 1]" 3
209 1 13 DC H2'' 1 13 DC H4' 3.800 2.900 4.700 3.801 3.642 3.967 . 0 0 "[ . 1]" 3
210 1 13 DC H2'' 1 13 DC H6 3.800 2.900 4.700 3.516 2.759 3.742 0.141 9 0 "[ . 1]" 3
211 1 13 DC H2'' 1 14 DG H8 3.800 2.900 4.700 3.911 3.329 4.704 0.004 6 0 "[ . 1]" 3
212 1 13 DC H1' 1 13 DC H3' 3.800 2.900 4.700 3.833 3.807 3.853 . 0 0 "[ . 1]" 3
213 1 13 DC H3' 1 13 DC H6 3.800 2.900 4.700 4.028 3.786 4.439 . 0 0 "[ . 1]" 3
214 1 13 DC H3' 1 14 DG H8 3.800 2.900 4.700 3.823 3.177 4.640 . 0 0 "[ . 1]" 3
215 1 13 DC H1' 1 13 DC H4' 2.700 . 3.500 2.902 2.751 3.185 . 0 0 "[ . 1]" 3
216 1 13 DC H3' 1 13 DC H4' 2.700 . 3.500 2.889 2.795 2.943 . 0 0 "[ . 1]" 3
217 1 13 DC H4' 1 13 DC H6 5.500 3.800 7.200 4.811 4.599 5.463 . 0 0 "[ . 1]" 3
218 1 13 DC H5 1 13 DC H6 2.700 . 3.500 2.450 2.448 2.452 . 0 0 "[ . 1]" 3
219 1 12 DG H8 1 14 DG H1' 3.800 2.900 4.700 4.784 4.541 4.914 0.214 6 0 "[ . 1]" 3
220 1 14 DG H1' 1 14 DG H8 3.800 2.900 4.700 3.900 3.864 3.922 . 0 0 "[ . 1]" 3
221 1 14 DG H1' 1 14 DG H2' 2.700 . 3.500 3.029 3.026 3.032 . 0 0 "[ . 1]" 3
222 1 14 DG H2' 1 14 DG H2'' 2.700 . 3.500 1.796 1.793 1.798 0.107 3 0 "[ . 1]" 3
223 1 14 DG H2' 1 14 DG H3' 2.700 . 3.500 2.357 2.311 2.373 . 0 0 "[ . 1]" 3
224 1 14 DG H2' 1 14 DG H8 2.700 . 3.500 2.285 2.176 2.468 . 0 0 "[ . 1]" 3
225 1 14 DG H1' 1 14 DG H2'' 2.700 . 3.500 2.266 2.177 2.603 . 0 0 "[ . 1]" 3
226 1 14 DG H2'' 1 14 DG H3' 2.700 . 3.500 2.900 2.474 3.001 . 0 0 "[ . 1]" 3
227 1 14 DG H2'' 1 14 DG H8 3.800 2.900 4.700 3.481 3.136 3.744 . 0 0 "[ . 1]" 3
228 1 14 DG H1' 1 14 DG H3' 3.800 2.900 4.700 3.773 3.746 3.819 . 0 0 "[ . 1]" 3
229 1 14 DG H3' 1 14 DG H8 3.800 2.900 4.700 4.443 4.262 4.526 . 0 0 "[ . 1]" 3
230 1 14 DG H3' 1 14 DG H4' 2.700 . 3.500 2.832 2.772 2.896 . 0 0 "[ . 1]" 3
231 1 12 DG H8 1 14 DG H8 3.800 2.900 4.700 3.729 3.398 4.056 . 0 0 "[ . 1]" 3
232 1 15 DG H1' 1 15 DG H8 2.700 . 3.500 2.593 2.589 2.594 . 0 0 "[ . 1]" 3
233 1 15 DG H1' 1 16 DG H8 3.800 2.900 4.700 4.290 4.074 4.420 . 0 0 "[ . 1]" 3
234 1 15 DG H1' 1 15 DG H2' 2.700 . 3.500 3.028 3.024 3.029 . 0 0 "[ . 1]" 3
235 1 15 DG H2' 1 15 DG H2'' 2.700 . 3.500 1.796 1.795 1.797 0.105 1 0 "[ . 1]" 3
236 1 15 DG H2' 1 15 DG H3' 2.700 . 3.500 2.344 2.332 2.376 . 0 0 "[ . 1]" 3
237 1 15 DG H2' 1 15 DG H8 3.800 2.900 4.700 4.502 4.466 4.562 . 0 0 "[ . 1]" 3
238 1 15 DG H2' 1 16 DG H8 3.800 2.900 4.700 2.853 2.829 2.889 0.071 7 0 "[ . 1]" 3
239 1 15 DG H1' 1 15 DG H2'' 2.700 . 3.500 2.266 2.192 2.620 . 0 0 "[ . 1]" 3
240 1 15 DG H2'' 1 15 DG H3' 2.700 . 3.500 2.890 2.311 2.999 . 0 0 "[ . 1]" 3
241 1 15 DG H2'' 1 15 DG H8 5.500 3.800 7.200 3.876 3.768 4.581 0.032 2 0 "[ . 1]" 3
242 1 15 DG H2'' 1 16 DG H8 2.700 . 3.500 2.206 2.185 2.248 . 0 0 "[ . 1]" 3
243 1 15 DG H1' 1 15 DG H3' 3.800 2.900 4.700 3.806 3.794 3.838 . 0 0 "[ . 1]" 3
244 1 15 DG H3' 1 15 DG H8 5.500 3.800 7.200 6.099 6.079 6.140 . 0 0 "[ . 1]" 3
245 1 15 DG H3' 1 16 DG H8 3.800 2.900 4.700 4.265 4.140 4.355 . 0 0 "[ . 1]" 3
246 1 15 DG H1' 1 15 DG H4' 3.800 2.900 4.700 3.039 2.898 3.429 0.002 3 0 "[ . 1]" 3
247 1 15 DG H3' 1 15 DG H4' 2.700 . 3.500 2.837 2.728 2.876 . 0 0 "[ . 1]" 3
248 1 15 DG H8 1 16 DG H8 5.500 3.800 7.200 5.054 4.928 5.292 . 0 0 "[ . 1]" 3
249 1 15 DG H8 1 16 DG H1' 5.500 3.800 7.200 4.179 3.927 4.507 . 0 0 "[ . 1]" 3
250 1 16 DG H1' 1 16 DG H8 3.800 2.900 4.700 3.915 3.913 3.916 . 0 0 "[ . 1]" 3
251 1 16 DG H1' 1 17 DG H8 3.800 2.900 4.700 3.687 3.375 4.095 . 0 0 "[ . 1]" 3
252 1 16 DG H1' 1 16 DG H2' 2.700 . 3.500 3.025 3.022 3.027 . 0 0 "[ . 1]" 3
253 1 16 DG H2' 1 16 DG H3' 2.700 . 3.500 2.336 2.328 2.349 . 0 0 "[ . 1]" 3
254 1 16 DG H2' 1 16 DG H8 2.700 . 3.500 2.441 2.387 2.516 . 0 0 "[ . 1]" 3
255 1 16 DG H2' 1 17 DG H8 3.800 2.900 4.700 4.104 3.826 4.364 . 0 0 "[ . 1]" 3
256 1 16 DG H1' 1 16 DG H2'' 2.700 . 3.500 2.298 2.194 2.386 . 0 0 "[ . 1]" 3
257 1 16 DG H2' 1 16 DG H2'' 2.700 . 3.500 1.795 1.794 1.797 0.106 6 0 "[ . 1]" 3
258 1 16 DG H2'' 1 16 DG H3' 2.700 . 3.500 2.867 2.771 2.973 . 0 0 "[ . 1]" 3
259 1 16 DG H2'' 1 16 DG H8 3.800 2.900 4.700 3.822 3.696 3.898 . 0 0 "[ . 1]" 3
260 1 16 DG H2'' 1 17 DG H8 2.700 . 3.500 2.558 2.267 2.996 . 0 0 "[ . 1]" 3
261 1 16 DG H1' 1 16 DG H3' 3.800 2.900 4.700 3.832 3.811 3.845 . 0 0 "[ . 1]" 3
262 1 16 DG H3' 1 16 DG H8 3.800 2.900 4.700 4.337 4.296 4.393 . 0 0 "[ . 1]" 3
263 1 16 DG H3' 1 17 DG H8 5.500 3.800 7.200 5.255 4.897 5.830 . 0 0 "[ . 1]" 3
264 1 15 DG H8 1 16 DG H4' 3.800 2.900 4.700 4.105 3.941 4.275 . 0 0 "[ . 1]" 3
265 1 16 DG H1' 1 16 DG H4' 2.700 . 3.500 3.071 3.033 3.123 . 0 0 "[ . 1]" 3
266 1 16 DG H3' 1 16 DG H4' 2.700 . 3.500 2.840 2.822 2.853 . 0 0 "[ . 1]" 3
267 1 16 DG H4' 1 16 DG H8 5.500 3.800 7.200 4.920 4.894 4.951 . 0 0 "[ . 1]" 3
268 1 15 DG H8 1 16 DG H5' 3.800 2.900 4.700 3.989 3.854 4.045 . 0 0 "[ . 1]" 3
269 1 16 DG H5' 1 16 DG H8 5.500 3.800 7.200 4.464 4.412 4.510 . 0 0 "[ . 1]" 3
270 1 15 DG H8 1 16 DG H5'' 5.500 3.800 7.200 5.526 5.392 5.612 . 0 0 "[ . 1]" 3
271 1 16 DG H5'' 1 16 DG H8 5.500 3.800 7.200 4.973 4.907 5.021 . 0 0 "[ . 1]" 3
272 1 17 DG H1' 1 17 DG H8 3.800 2.900 4.700 3.896 3.867 3.913 . 0 0 "[ . 1]" 3
273 1 17 DG H1' 1 17 DG H2' 2.700 . 3.500 3.018 3.002 3.027 . 0 0 "[ . 1]" 3
274 1 17 DG H2' 1 17 DG H2'' 2.700 . 3.500 1.795 1.795 1.796 0.105 8 0 "[ . 1]" 3
275 1 17 DG H2' 1 17 DG H3' 2.700 . 3.500 2.359 2.332 2.371 . 0 0 "[ . 1]" 3
276 1 17 DG H2' 1 17 DG H8 2.700 . 3.500 2.667 2.251 3.039 . 0 0 "[ . 1]" 3
277 1 17 DG H1' 1 17 DG H2'' 2.700 . 3.500 2.419 2.395 2.447 . 0 0 "[ . 1]" 3
278 1 17 DG H2'' 1 17 DG H3' 2.700 . 3.500 2.682 2.649 2.746 . 0 0 "[ . 1]" 3
279 1 17 DG H2'' 1 17 DG H8 3.800 2.900 4.700 4.137 3.840 4.439 . 0 0 "[ . 1]" 3
280 1 17 DG H1' 1 17 DG H3' 3.800 2.900 4.700 3.861 3.814 3.928 . 0 0 "[ . 1]" 3
281 1 17 DG H3' 1 17 DG H8 3.800 2.900 4.700 4.435 4.134 4.723 0.023 6 0 "[ . 1]" 3
282 1 17 DG H3' 1 18 DC H6 5.500 3.800 7.200 5.854 4.051 6.959 . 0 0 "[ . 1]" 3
283 1 17 DG H1' 1 17 DG H4' 3.800 2.900 4.700 3.347 3.028 3.602 . 0 0 "[ . 1]" 3
284 1 17 DG H3' 1 17 DG H4' 2.700 . 3.500 2.761 2.703 2.848 . 0 0 "[ . 1]" 3
285 1 17 DG H4' 1 17 DG H8 3.800 2.900 4.700 4.638 4.356 4.812 0.112 9 0 "[ . 1]" 3
286 1 16 DG H8 1 17 DG H8 5.500 3.800 7.200 5.625 5.263 6.063 . 0 0 "[ . 1]" 3
287 1 18 DC H1' 1 18 DC H6 3.800 2.900 4.700 3.735 3.734 3.737 . 0 0 "[ . 1]" 3
288 1 18 DC H1' 1 18 DC H2' 2.700 . 3.500 3.028 3.026 3.030 . 0 0 "[ . 1]" 3
289 1 18 DC H2' 1 18 DC H2'' 2.700 . 3.500 1.795 1.794 1.796 0.106 4 0 "[ . 1]" 3
290 1 18 DC H2' 1 18 DC H3' 2.700 . 3.500 2.333 2.322 2.343 . 0 0 "[ . 1]" 3
291 1 18 DC H2' 1 18 DC H6 2.700 . 3.500 2.190 2.187 2.194 . 0 0 "[ . 1]" 3
292 1 18 DC H1' 1 18 DC H2'' 2.700 . 3.500 2.197 2.179 2.202 . 0 0 "[ . 1]" 3
293 1 18 DC H2'' 1 18 DC H3' 2.700 . 3.500 2.987 2.975 3.017 . 0 0 "[ . 1]" 3
294 1 18 DC H2'' 1 18 DC H6 2.700 . 3.500 3.524 3.509 3.538 0.038 1 0 "[ . 1]" 3
295 1 18 DC H1' 1 18 DC H3' 3.800 2.900 4.700 3.813 3.806 3.822 . 0 0 "[ . 1]" 3
296 1 18 DC H3' 1 18 DC H6 3.800 2.900 4.700 4.031 3.992 4.064 . 0 0 "[ . 1]" 3
297 1 18 DC H3' 1 19 DT H6 3.800 2.900 4.700 4.189 3.324 4.731 0.031 6 0 "[ . 1]" 3
298 1 18 DC H1' 1 18 DC H4' 3.800 2.900 4.700 2.943 2.870 3.010 0.030 4 0 "[ . 1]" 3
299 1 18 DC H3' 1 18 DC H4' 2.700 . 3.500 2.868 2.846 2.890 . 0 0 "[ . 1]" 3
300 1 18 DC H4' 1 18 DC H6 3.800 2.900 4.700 4.667 4.646 4.687 . 0 0 "[ . 1]" 3
301 1 18 DC H5 1 18 DC H6 2.700 . 3.500 2.451 2.450 2.451 . 0 0 "[ . 1]" 3
302 1 19 DT C7 1 19 DT H6 2.700 . 3.500 2.659 2.658 2.660 . 0 0 "[ . 1]" 3
303 1 19 DT H1' 1 19 DT H6 3.800 2.900 4.700 3.717 3.633 3.733 . 0 0 "[ . 1]" 3
304 1 19 DT H1' 1 19 DT H2' 2.700 . 3.500 3.026 3.017 3.030 . 0 0 "[ . 1]" 3
305 1 19 DT H2' 1 19 DT H2'' 2.700 . 3.500 1.795 1.793 1.797 0.107 4 0 "[ . 1]" 3
306 1 19 DT H2' 1 19 DT H3' 2.700 . 3.500 2.332 2.300 2.358 . 0 0 "[ . 1]" 3
307 1 19 DT H2' 1 19 DT H6 2.700 . 3.500 2.395 2.199 3.068 . 0 0 "[ . 1]" 3
308 1 19 DT H1' 1 19 DT H2'' 2.700 . 3.500 2.355 2.195 2.437 . 0 0 "[ . 1]" 3
309 1 19 DT H2'' 1 19 DT H3' 2.700 . 3.500 2.820 2.695 3.000 . 0 0 "[ . 1]" 3
310 1 19 DT H2'' 1 19 DT H6 3.800 2.900 4.700 3.817 3.579 4.349 . 0 0 "[ . 1]" 3
311 1 19 DT H1' 1 19 DT H3' 3.800 2.900 4.700 3.822 3.797 3.858 . 0 0 "[ . 1]" 3
312 1 19 DT H3' 1 19 DT H6 3.800 2.900 4.700 4.098 3.936 4.270 . 0 0 "[ . 1]" 3
313 1 19 DT H1' 1 19 DT H4' 3.800 2.900 4.700 2.981 2.847 3.270 0.053 10 0 "[ . 1]" 3
314 1 19 DT H4' 1 19 DT H6 3.800 2.900 4.700 4.549 4.330 4.675 . 0 0 "[ . 1]" 3
315 1 15 DG H8 1 20 DT C7 5.500 3.800 7.200 5.934 4.517 6.865 . 0 0 "[ . 1]" 3
316 1 20 DT C7 1 20 DT H6 2.700 . 3.500 2.660 2.659 2.661 . 0 0 "[ . 1]" 3
317 1 20 DT H1' 1 20 DT H6 3.800 2.900 4.700 3.723 3.681 3.736 . 0 0 "[ . 1]" 3
318 1 20 DT H1' 1 20 DT H2' 2.700 . 3.500 3.027 3.023 3.028 . 0 0 "[ . 1]" 3
319 1 20 DT H2' 1 20 DT H2'' 2.700 . 3.500 1.795 1.794 1.796 0.106 1 0 "[ . 1]" 3
320 1 20 DT H2' 1 20 DT H3' 2.700 . 3.500 2.332 2.316 2.350 . 0 0 "[ . 1]" 3
321 1 20 DT H2' 1 20 DT H6 2.700 . 3.500 2.382 2.187 2.804 . 0 0 "[ . 1]" 3
322 1 20 DT H1' 1 20 DT H2'' 2.700 . 3.500 2.354 2.274 2.395 . 0 0 "[ . 1]" 3
323 1 20 DT H2'' 1 20 DT H3' 2.700 . 3.500 2.828 2.759 2.904 . 0 0 "[ . 1]" 3
324 1 20 DT H2'' 1 20 DT H6 3.800 2.900 4.700 3.807 3.580 4.122 . 0 0 "[ . 1]" 3
325 1 20 DT H1' 1 20 DT H3' 3.800 2.900 4.700 3.818 3.805 3.840 . 0 0 "[ . 1]" 3
326 1 20 DT H3' 1 20 DT H6 3.800 2.900 4.700 4.100 3.993 4.314 . 0 0 "[ . 1]" 3
327 1 20 DT H1' 1 20 DT H4' 3.800 2.900 4.700 2.967 2.842 3.085 0.058 5 0 "[ . 1]" 3
328 1 20 DT H3' 1 20 DT H4' 2.700 . 3.500 2.864 2.823 2.904 . 0 0 "[ . 1]" 3
329 1 20 DT H4' 1 20 DT H6 5.500 3.800 7.200 4.565 4.361 4.688 . 0 0 "[ . 1]" 3
330 1 21 DG H1' 1 21 DG H8 2.700 . 3.500 2.593 2.589 2.596 . 0 0 "[ . 1]" 3
331 1 21 DG H1' 1 22 DG H8 3.800 2.900 4.700 4.205 4.049 4.341 . 0 0 "[ . 1]" 3
332 1 21 DG H1' 1 21 DG H2' 2.700 . 3.500 3.025 3.020 3.027 . 0 0 "[ . 1]" 3
333 1 21 DG H2' 1 21 DG H2'' 2.700 . 3.500 1.795 1.794 1.797 0.106 7 0 "[ . 1]" 3
334 1 21 DG H2' 1 21 DG H3' 2.700 . 3.500 2.333 2.312 2.358 . 0 0 "[ . 1]" 3
335 1 21 DG H2' 1 21 DG H8 5.500 3.800 7.200 4.506 4.440 4.568 . 0 0 "[ . 1]" 3
336 1 21 DG H2' 1 22 DG H8 3.800 2.900 4.700 2.893 2.861 2.956 0.039 9 0 "[ . 1]" 3
337 1 21 DG H1' 1 21 DG H2'' 2.700 . 3.500 2.199 2.193 2.211 . 0 0 "[ . 1]" 3
338 1 21 DG H2'' 1 21 DG H3' 2.700 . 3.500 2.972 2.923 3.013 . 0 0 "[ . 1]" 3
339 1 21 DG H2'' 1 21 DG H8 3.800 2.900 4.700 3.840 3.720 3.915 . 0 0 "[ . 1]" 3
340 1 21 DG H2'' 1 22 DG H8 2.700 . 3.500 2.250 2.189 2.414 . 0 0 "[ . 1]" 3
341 1 21 DG H1' 1 21 DG H3' 3.800 2.900 4.700 3.826 3.816 3.853 . 0 0 "[ . 1]" 3
342 1 21 DG H3' 1 21 DG H8 5.500 3.800 7.200 6.108 6.067 6.138 . 0 0 "[ . 1]" 3
343 1 21 DG H3' 1 22 DG H8 3.800 2.900 4.700 4.514 4.243 4.670 . 0 0 "[ . 1]" 3
344 1 21 DG H1' 1 21 DG H4' 2.700 . 3.500 3.005 2.779 3.326 . 0 0 "[ . 1]" 3
345 1 21 DG H3' 1 21 DG H4' 2.700 . 3.500 2.855 2.769 2.919 . 0 0 "[ . 1]" 3
346 1 21 DG H8 1 22 DG H1' 3.800 2.900 4.700 4.182 3.810 4.452 . 0 0 "[ . 1]" 3
347 1 22 DG H1' 1 22 DG H8 3.800 2.900 4.700 3.916 3.914 3.918 . 0 0 "[ . 1]" 3
348 1 22 DG H1' 1 23 DG H8 3.800 2.900 4.700 3.754 3.584 4.139 . 0 0 "[ . 1]" 3
349 1 22 DG H1' 1 22 DG H2' 2.700 . 3.500 3.027 3.024 3.029 . 0 0 "[ . 1]" 3
350 1 22 DG H2' 1 22 DG H3' 2.700 . 3.500 2.332 2.316 2.351 . 0 0 "[ . 1]" 3
351 1 22 DG H2' 1 22 DG H8 2.700 . 3.500 2.542 2.464 2.612 . 0 0 "[ . 1]" 3
352 1 22 DG H2' 1 23 DG H8 3.800 2.900 4.700 3.688 3.396 4.191 . 0 0 "[ . 1]" 3
353 1 22 DG H1' 1 22 DG H2'' 2.700 . 3.500 2.376 2.199 2.465 . 0 0 "[ . 1]" 3
354 1 22 DG H2' 1 22 DG H2'' 2.700 . 3.500 1.795 1.794 1.796 0.106 5 0 "[ . 1]" 3
355 1 22 DG H2'' 1 22 DG H3' 2.700 . 3.500 2.790 2.680 2.980 . 0 0 "[ . 1]" 3
356 1 22 DG H2'' 1 22 DG H8 3.800 2.900 4.700 3.954 3.783 4.077 . 0 0 "[ . 1]" 3
357 1 22 DG H2'' 1 23 DG H8 2.700 . 3.500 2.364 2.189 2.825 . 0 0 "[ . 1]" 3
358 1 22 DG H1' 1 22 DG H3' 3.800 2.900 4.700 3.817 3.796 3.832 . 0 0 "[ . 1]" 3
359 1 22 DG H3' 1 22 DG H8 3.800 2.900 4.700 4.393 4.342 4.489 . 0 0 "[ . 1]" 3
360 1 22 DG H3' 1 23 DG H8 5.500 3.800 7.200 5.074 4.792 5.668 . 0 0 "[ . 1]" 3
361 1 21 DG H1' 1 22 DG H4' 3.800 2.900 4.700 3.953 3.660 4.271 . 0 0 "[ . 1]" 3
362 1 21 DG H8 1 22 DG H4' 5.500 3.800 7.200 4.266 3.940 4.636 . 0 0 "[ . 1]" 3
363 1 22 DG H1' 1 22 DG H4' 3.800 2.900 4.700 2.973 2.898 3.045 0.002 3 0 "[ . 1]" 3
364 1 22 DG H3' 1 22 DG H4' 2.700 . 3.500 2.862 2.831 2.891 . 0 0 "[ . 1]" 3
365 1 22 DG H4' 1 22 DG H8 5.500 3.800 7.200 4.916 4.894 4.940 . 0 0 "[ . 1]" 3
366 1 22 DG H4' 1 23 DG H8 5.500 3.800 7.200 6.081 5.831 6.609 . 0 0 "[ . 1]" 3
367 1 21 DG H8 1 22 DG H5' 3.800 2.900 4.700 4.120 3.969 4.343 . 0 0 "[ . 1]" 3
368 1 22 DG H5' 1 22 DG H8 3.800 2.900 4.700 4.515 4.455 4.567 . 0 0 "[ . 1]" 3
369 1 21 DG H8 1 22 DG H5'' 5.500 3.800 7.200 5.661 5.500 5.925 . 0 0 "[ . 1]" 3
370 1 22 DG H5'' 1 22 DG H8 5.500 3.800 7.200 5.094 5.026 5.169 . 0 0 "[ . 1]" 3
371 1 23 DG H1' 1 23 DG H8 3.800 2.900 4.700 3.914 3.908 3.917 . 0 0 "[ . 1]" 3
372 1 23 DG H1' 1 23 DG H2' 2.700 . 3.500 3.026 3.013 3.032 . 0 0 "[ . 1]" 3
373 1 23 DG H2' 1 23 DG H2'' 2.700 . 3.500 1.797 1.796 1.798 0.104 6 0 "[ . 1]" 3
374 1 23 DG H2' 1 23 DG H3' 2.700 . 3.500 2.357 2.355 2.359 . 0 0 "[ . 1]" 3
375 1 23 DG H2' 1 23 DG H8 2.700 . 3.500 2.366 2.281 2.445 . 0 0 "[ . 1]" 3
376 1 23 DG H1' 1 23 DG H2'' 2.700 . 3.500 2.427 2.414 2.442 . 0 0 "[ . 1]" 3
377 1 23 DG H2'' 1 23 DG H3' 2.700 . 3.500 2.670 2.608 2.708 . 0 0 "[ . 1]" 3
378 1 23 DG H2'' 1 23 DG H4' 3.800 2.900 4.700 4.083 4.070 4.107 . 0 0 "[ . 1]" 3
379 1 23 DG H2'' 1 23 DG H8 3.800 2.900 4.700 3.831 3.782 3.906 . 0 0 "[ . 1]" 3
380 1 23 DG H1' 1 23 DG H3' 3.800 2.900 4.700 3.816 3.780 3.888 . 0 0 "[ . 1]" 3
381 1 23 DG H3' 1 23 DG H8 3.800 2.900 4.700 4.390 4.237 4.473 . 0 0 "[ . 1]" 3
382 1 23 DG H1' 1 23 DG H4' 3.800 2.900 4.700 3.359 3.225 3.594 . 0 0 "[ . 1]" 3
383 1 23 DG H3' 1 23 DG H4' 2.700 . 3.500 2.740 2.688 2.770 . 0 0 "[ . 1]" 3
384 1 23 DG H4' 1 23 DG H8 5.500 3.800 7.200 4.821 4.620 4.911 . 0 0 "[ . 1]" 3
385 1 22 DG H8 1 23 DG H8 5.500 3.800 7.200 5.241 5.045 5.523 . 0 0 "[ . 1]" 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 5
_Distance_constraint_stats_list.Viol_count 12
_Distance_constraint_stats_list.Viol_total 1.984
_Distance_constraint_stats_list.Viol_max 0.034
_Distance_constraint_stats_list.Viol_rms 0.0087
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0165
_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 2 DG 0.198 0.034 1 0 "[ . 1]"
1 14 DG 0.145 0.034 1 0 "[ . 1]"
1 20 DT 0.053 0.027 4 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 DG O6 1 14 DG H21 2.000 . 2.200 1.958 1.807 2.197 . 0 0 "[ . 1]" 4
2 1 2 DG O6 1 14 DG N2 2.900 2.600 3.200 2.936 2.788 3.155 . 0 0 "[ . 1]" 4
3 1 2 DG N7 1 14 DG H1 2.000 . 2.200 2.210 2.161 2.234 0.034 1 0 "[ . 1]" 4
4 1 2 DG N7 1 14 DG N1 2.900 2.600 3.200 3.124 3.002 3.211 0.011 1 0 "[ . 1]" 4
5 1 2 DG H1 1 20 DT O2 2.000 . 2.200 2.087 1.834 2.227 0.027 4 0 "[ . 1]" 4
stop_
save_
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