NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
535349 |
2lee   |
17709 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lee
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 329
_Distance_constraint_stats_list.Viol_count 211
_Distance_constraint_stats_list.Viol_total 66.760
_Distance_constraint_stats_list.Viol_max 0.105
_Distance_constraint_stats_list.Viol_rms 0.0111
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0316
_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 DT 0.141 0.017 9 0 "[ . 1]"
1 2 DA 1.163 0.099 3 0 "[ . 1]"
1 3 DG 1.258 0.086 7 0 "[ . 1]"
1 4 DG 2.480 0.103 8 0 "[ . 1]"
1 5 DG 0.000 0.000 . 0 "[ . 1]"
1 6 DC 0.636 0.105 2 0 "[ . 1]"
1 7 DG 0.375 0.052 7 0 "[ . 1]"
1 8 DG 0.408 0.052 7 0 "[ . 1]"
1 9 DG 0.070 0.017 7 0 "[ . 1]"
1 10 DA 0.000 0.000 . 0 "[ . 1]"
1 11 DG 0.176 0.024 4 0 "[ . 1]"
1 12 DG 0.000 0.000 . 0 "[ . 1]"
1 13 DG 0.000 0.000 . 0 "[ . 1]"
1 14 DA 0.000 0.000 . 0 "[ . 1]"
1 15 DG 0.418 0.049 4 0 "[ . 1]"
1 16 DG 0.371 0.049 4 0 "[ . 1]"
1 17 DG 0.541 0.044 1 0 "[ . 1]"
1 18 DA 0.441 0.044 1 0 "[ . 1]"
1 19 DA 0.000 0.000 . 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 H1' 1 1 DT H6 5.000 2.600 5.500 3.647 3.512 3.764 . 0 0 "[ . 1]" 1
2 1 1 DT H1' 1 1 DT H2'' 3.600 . 4.100 2.364 2.308 2.422 . 0 0 "[ . 1]" 1
3 1 1 DT H2'' 1 1 DT H3' 5.000 2.600 5.500 2.732 2.710 2.751 . 0 0 "[ . 1]" 1
4 1 1 DT H2'' 1 1 DT H4' 5.000 2.600 5.500 3.998 3.915 4.061 . 0 0 "[ . 1]" 1
5 1 1 DT H2'' 1 1 DT H5' 6.500 3.500 7.000 4.505 4.074 5.263 . 0 0 "[ . 1]" 1
6 1 1 DT H2'' 1 1 DT H6 5.000 2.600 5.500 3.024 2.696 3.443 . 0 0 "[ . 1]" 1
7 1 1 DT H2'' 1 2 DA H8 5.000 2.600 5.500 3.209 2.837 3.623 . 0 0 "[ . 1]" 1
8 1 1 DT H2'' 1 3 DG H1 5.000 2.600 5.500 2.678 2.589 2.902 0.011 7 0 "[ . 1]" 1
9 1 1 DT H2'' 1 2 DA H4' 6.500 3.500 7.000 4.853 4.750 4.947 . 0 0 "[ . 1]" 1
10 1 1 DT H2'' 1 2 DA H5' 6.500 3.500 7.000 3.551 3.483 3.681 0.017 9 0 "[ . 1]" 1
11 1 1 DT H1' 1 1 DT H2' 5.000 2.600 5.500 3.060 3.046 3.066 . 0 0 "[ . 1]" 1
12 1 1 DT H2' 1 1 DT H3' 3.600 . 4.100 2.269 2.235 2.302 . 0 0 "[ . 1]" 1
13 1 1 DT H2' 1 1 DT H4' 5.000 2.600 5.500 3.864 3.812 3.930 . 0 0 "[ . 1]" 1
14 1 1 DT H2' 1 1 DT H5' 5.000 2.600 5.500 3.273 2.595 4.308 0.005 8 0 "[ . 1]" 1
15 1 1 DT H2' 1 1 DT H6 3.600 . 4.100 2.002 1.976 2.031 . 0 0 "[ . 1]" 1
16 1 1 DT H2' 1 2 DA H2 6.500 3.500 7.000 6.569 6.553 6.586 . 0 0 "[ . 1]" 1
17 1 1 DT H2' 1 2 DA H8 5.000 2.600 5.500 2.694 2.644 2.740 . 0 0 "[ . 1]" 1
18 1 1 DT H2' 1 3 DG H1 5.000 2.600 5.500 3.904 3.475 4.225 . 0 0 "[ . 1]" 1
19 1 1 DT H1' 1 1 DT H3' 5.000 2.600 5.500 3.834 3.785 3.891 . 0 0 "[ . 1]" 1
20 1 1 DT H3' 1 1 DT H6 5.000 2.600 5.500 4.131 3.904 4.280 . 0 0 "[ . 1]" 1
21 1 1 DT H1' 1 1 DT H4' 5.000 2.600 5.500 3.234 2.952 3.441 . 0 0 "[ . 1]" 1
22 1 1 DT H4' 1 1 DT H6 6.500 3.500 7.000 5.163 4.782 5.427 . 0 0 "[ . 1]" 1
23 1 1 DT H4' 1 2 DA H8 6.500 3.500 7.000 4.754 4.509 4.916 . 0 0 "[ . 1]" 1
24 1 1 DT H3' 1 1 DT H5' 3.600 . 4.100 2.588 2.406 3.583 . 0 0 "[ . 1]" 1
25 1 1 DT H5' 1 1 DT H6 5.000 2.600 5.500 4.360 3.839 4.628 . 0 0 "[ . 1]" 1
26 1 1 DT H5' 1 2 DA H8 6.500 3.500 7.000 3.887 3.484 4.718 0.016 3 0 "[ . 1]" 1
27 1 1 DT H6 1 7 DG H1 5.000 2.600 5.500 4.602 4.326 5.007 . 0 0 "[ . 1]" 1
28 1 1 DT H6 1 2 DA H8 6.500 3.500 7.000 4.257 4.239 4.283 . 0 0 "[ . 1]" 1
29 1 1 DT C7 1 1 DT H5' 6.500 3.500 7.000 6.287 5.496 6.528 . 0 0 "[ . 1]" 1
30 1 1 DT C7 1 1 DT H6 3.600 . 4.100 2.602 2.597 2.610 . 0 0 "[ . 1]" 1
31 1 1 DT C7 1 2 DA H2 6.500 3.500 7.000 5.972 5.505 6.511 . 0 0 "[ . 1]" 1
32 1 1 DT C7 1 2 DA H8 6.500 3.500 7.000 6.529 6.523 6.540 . 0 0 "[ . 1]" 1
33 1 1 DT C7 1 7 DG H1 5.000 2.600 5.500 4.367 3.938 4.790 . 0 0 "[ . 1]" 1
34 1 1 DT C7 1 11 DG H1 5.000 2.600 5.500 4.049 3.632 4.822 . 0 0 "[ . 1]" 1
35 1 2 DA H1' 1 2 DA H2 6.500 3.500 7.000 4.578 4.555 4.617 . 0 0 "[ . 1]" 1
36 1 2 DA H1' 1 2 DA H8 5.000 2.600 5.500 3.835 3.811 3.850 . 0 0 "[ . 1]" 1
37 1 2 DA H1' 1 3 DG H8 5.000 2.600 5.500 3.781 3.713 3.915 . 0 0 "[ . 1]" 1
38 1 2 DA H2 1 3 DG H1 6.500 3.500 7.000 6.526 6.516 6.537 . 0 0 "[ . 1]" 1
39 1 2 DA H2 1 15 DG H1 5.000 2.600 5.500 3.152 3.067 3.270 . 0 0 "[ . 1]" 1
40 1 2 DA H1' 1 2 DA H2'' 3.600 . 4.100 2.335 2.326 2.345 . 0 0 "[ . 1]" 1
41 1 2 DA H2'' 1 2 DA H3' 5.000 2.600 5.500 2.803 2.799 2.806 . 0 0 "[ . 1]" 1
42 1 2 DA H2'' 1 2 DA H4' 5.000 2.600 5.500 3.921 3.900 3.943 . 0 0 "[ . 1]" 1
43 1 2 DA H2'' 1 2 DA H8 5.000 2.600 5.500 3.931 3.888 3.986 . 0 0 "[ . 1]" 1
44 1 2 DA H2'' 1 3 DG H8 5.000 2.600 5.500 5.048 5.041 5.055 . 0 0 "[ . 1]" 1
45 1 2 DA H1' 1 2 DA H2' 3.600 . 4.100 3.046 3.038 3.050 . 0 0 "[ . 1]" 1
46 1 2 DA H2' 1 2 DA H3' 5.000 2.600 5.500 2.504 2.501 2.506 0.099 3 0 "[ . 1]" 1
47 1 2 DA H2' 1 2 DA H4' 5.000 2.600 5.500 3.887 3.880 3.896 . 0 0 "[ . 1]" 1
48 1 2 DA H2' 1 2 DA H8 3.600 . 4.100 2.456 2.407 2.505 . 0 0 "[ . 1]" 1
49 1 2 DA H3' 1 2 DA H8 6.500 3.500 7.000 4.308 4.242 4.357 . 0 0 "[ . 1]" 1
50 1 2 DA H1' 1 2 DA H4' 5.000 2.600 5.500 3.182 3.131 3.266 . 0 0 "[ . 1]" 1
51 1 2 DA H3' 1 2 DA H4' 5.000 2.600 5.500 2.742 2.728 2.751 . 0 0 "[ . 1]" 1
52 1 2 DA H4' 1 2 DA H8 6.500 3.500 7.000 4.589 4.545 4.626 . 0 0 "[ . 1]" 1
53 1 2 DA H5'' 1 2 DA H8 6.500 3.500 7.000 4.604 4.461 4.692 . 0 0 "[ . 1]" 1
54 1 2 DA H3' 1 2 DA H5'' 5.000 2.600 5.500 2.592 2.586 2.595 0.014 8 0 "[ . 1]" 1
55 1 2 DA H4' 1 2 DA H5'' 3.600 . 4.100 2.417 2.412 2.425 . 0 0 "[ . 1]" 1
56 1 2 DA H5' 1 2 DA H8 6.500 3.500 7.000 4.048 3.900 4.127 . 0 0 "[ . 1]" 1
57 1 1 DT H1' 1 2 DA H5' 6.500 3.500 7.000 5.052 4.801 5.199 . 0 0 "[ . 1]" 1
58 1 1 DT H3' 1 2 DA H5' 6.500 3.500 7.000 4.051 3.748 4.292 . 0 0 "[ . 1]" 1
59 1 2 DA H3' 1 2 DA H5' 5.000 2.600 5.500 3.711 3.702 3.716 . 0 0 "[ . 1]" 1
60 1 2 DA H4' 1 2 DA H5' 3.600 . 4.100 2.348 2.332 2.364 . 0 0 "[ . 1]" 1
61 1 2 DA H8 1 3 DG H1 5.000 2.600 5.500 5.083 5.072 5.091 . 0 0 "[ . 1]" 1
62 1 3 DG H1' 1 3 DG H8 5.000 2.600 5.500 3.723 3.692 3.742 . 0 0 "[ . 1]" 1
63 1 3 DG H1' 1 4 DG H8 5.000 2.600 5.500 2.543 2.514 2.560 0.086 7 0 "[ . 1]" 1
64 1 3 DG H1' 1 3 DG H2'' 5.000 2.600 5.500 2.541 2.540 2.542 0.060 6 0 "[ . 1]" 1
65 1 3 DG H2'' 1 3 DG H3' 3.600 . 4.100 2.695 2.689 2.708 . 0 0 "[ . 1]" 1
66 1 3 DG H2'' 1 3 DG H4' 5.000 2.600 5.500 4.046 4.017 4.069 . 0 0 "[ . 1]" 1
67 1 3 DG H2'' 1 3 DG H8 3.600 . 4.100 2.836 2.769 2.887 . 0 0 "[ . 1]" 1
68 1 3 DG H2'' 1 4 DG H8 5.000 2.600 5.500 3.094 2.970 3.333 . 0 0 "[ . 1]" 1
69 1 3 DG H1' 1 3 DG H2' 5.000 2.600 5.500 3.087 3.084 3.093 . 0 0 "[ . 1]" 1
70 1 3 DG H2' 1 3 DG H3' 3.600 . 4.100 2.337 2.306 2.357 . 0 0 "[ . 1]" 1
71 1 3 DG H2' 1 3 DG H4' 5.000 2.600 5.500 3.788 3.782 3.792 . 0 0 "[ . 1]" 1
72 1 3 DG H2' 1 3 DG H8 3.600 . 4.100 2.210 2.155 2.239 . 0 0 "[ . 1]" 1
73 1 3 DG H2' 1 4 DG H8 5.000 2.600 5.500 4.628 4.531 4.816 . 0 0 "[ . 1]" 1
74 1 3 DG H1' 1 3 DG H3' 5.000 2.600 5.500 3.783 3.760 3.809 . 0 0 "[ . 1]" 1
75 1 3 DG H3' 1 3 DG H8 5.000 2.600 5.500 4.530 4.479 4.579 . 0 0 "[ . 1]" 1
76 1 3 DG H3' 1 3 DG H4' 5.000 2.600 5.500 2.829 2.819 2.849 . 0 0 "[ . 1]" 1
77 1 3 DG H3' 1 3 DG H5' 5.000 2.600 5.500 3.683 3.629 3.701 . 0 0 "[ . 1]" 1
78 1 3 DG H4' 1 3 DG H5' 3.600 . 4.100 2.464 2.448 2.502 . 0 0 "[ . 1]" 1
79 1 3 DG H3' 1 3 DG H5'' 5.000 2.600 5.500 2.592 2.590 2.597 0.010 7 0 "[ . 1]" 1
80 1 3 DG H4' 1 3 DG H5'' 3.600 . 4.100 2.420 2.398 2.428 . 0 0 "[ . 1]" 1
81 1 3 DG H8 1 4 DG H8 5.000 3.500 5.500 5.064 5.052 5.074 . 0 0 "[ . 1]" 1
82 1 3 DG H8 1 15 DG H1 5.000 2.600 5.500 5.031 5.020 5.039 . 0 0 "[ . 1]" 1
83 1 3 DG H8 1 16 DG H1 5.000 2.600 5.500 4.391 4.289 4.648 . 0 0 "[ . 1]" 1
84 1 3 DG H1 1 4 DG H1 5.000 2.600 5.500 3.642 3.466 3.859 . 0 0 "[ . 1]" 1
85 1 4 DG H1 1 7 DG H1 5.000 2.600 5.500 4.852 4.420 5.006 . 0 0 "[ . 1]" 1
86 1 4 DG H1' 1 4 DG H8 5.000 2.600 5.500 3.964 3.957 3.970 . 0 0 "[ . 1]" 1
87 1 4 DG H1' 1 5 DG H8 5.000 2.600 5.500 3.122 3.005 3.229 . 0 0 "[ . 1]" 1
88 1 4 DG H1' 1 4 DG H2'' 5.000 2.600 5.500 2.522 2.519 2.523 0.081 5 0 "[ . 1]" 1
89 1 4 DG H2'' 1 4 DG H3' 5.000 2.600 5.500 2.768 2.728 2.776 . 0 0 "[ . 1]" 1
90 1 4 DG H2'' 1 4 DG H4' 5.000 2.600 5.500 4.023 3.992 4.140 . 0 0 "[ . 1]" 1
91 1 4 DG H2'' 1 4 DG H8 5.000 2.600 5.500 3.812 3.752 3.942 . 0 0 "[ . 1]" 1
92 1 4 DG H2'' 1 5 DG H8 3.600 . 4.100 2.250 2.189 2.293 . 0 0 "[ . 1]" 1
93 1 4 DG H1' 1 4 DG H2' 5.000 2.600 5.500 3.066 3.060 3.075 . 0 0 "[ . 1]" 1
94 1 4 DG H2' 1 4 DG H2'' 3.600 . 4.100 1.783 1.782 1.785 0.018 8 0 "[ . 1]" 1
95 1 4 DG H2' 1 4 DG H3' 5.000 2.600 5.500 2.504 2.497 2.519 0.103 8 0 "[ . 1]" 1
96 1 4 DG H2' 1 4 DG H4' 5.000 2.600 5.500 3.846 3.823 3.854 . 0 0 "[ . 1]" 1
97 1 4 DG H2' 1 4 DG H8 3.600 . 4.100 2.456 2.395 2.546 . 0 0 "[ . 1]" 1
98 1 4 DG H2' 1 5 DG H8 5.000 2.600 5.500 3.543 3.397 3.723 . 0 0 "[ . 1]" 1
99 1 4 DG H3' 1 4 DG H8 5.000 2.600 5.500 4.722 4.667 4.827 . 0 0 "[ . 1]" 1
100 1 4 DG H3' 1 5 DG H8 5.000 2.600 5.500 4.997 4.872 5.018 . 0 0 "[ . 1]" 1
101 1 4 DG H8 1 16 DG H1 5.000 2.600 5.500 4.991 4.929 5.023 . 0 0 "[ . 1]" 1
102 1 4 DG H8 1 17 DG H1 5.000 2.600 5.500 5.044 5.019 5.072 . 0 0 "[ . 1]" 1
103 1 4 DG H1 1 5 DG H1 5.000 2.600 5.500 4.510 4.227 4.862 . 0 0 "[ . 1]" 1
104 1 5 DG H1' 1 5 DG H8 5.000 2.600 5.500 3.894 3.793 3.923 . 0 0 "[ . 1]" 1
105 1 5 DG H1' 1 5 DG H2'' 3.600 . 4.100 2.393 2.385 2.403 . 0 0 "[ . 1]" 1
106 1 5 DG H2'' 1 5 DG H3' 3.600 . 4.100 2.720 2.701 2.732 . 0 0 "[ . 1]" 1
107 1 5 DG H2'' 1 5 DG H8 5.000 2.600 5.500 4.076 3.885 4.454 . 0 0 "[ . 1]" 1
108 1 5 DG H1' 1 5 DG H2' 5.000 2.600 5.500 3.043 3.025 3.050 . 0 0 "[ . 1]" 1
109 1 5 DG H2' 1 5 DG H3' 3.600 . 4.100 2.353 2.326 2.392 . 0 0 "[ . 1]" 1
110 1 5 DG H2' 1 5 DG H8 3.600 . 4.100 2.771 2.548 3.271 . 0 0 "[ . 1]" 1
111 1 5 DG H3' 1 5 DG H8 5.000 2.600 5.500 4.707 4.541 5.013 . 0 0 "[ . 1]" 1
112 1 5 DG H8 1 17 DG H1 5.000 2.600 5.500 5.008 4.958 5.031 . 0 0 "[ . 1]" 1
113 1 6 DC H1' 1 6 DC H6 5.000 2.600 5.500 3.379 2.585 3.730 0.015 6 0 "[ . 1]" 1
114 1 6 DC H1' 1 6 DC H2'' 3.600 . 4.100 2.400 2.366 2.423 . 0 0 "[ . 1]" 1
115 1 6 DC H2'' 1 6 DC H3' 3.600 . 4.100 2.718 2.693 2.754 . 0 0 "[ . 1]" 1
116 1 6 DC H2'' 1 6 DC H4' 5.000 2.600 5.500 4.041 4.012 4.072 . 0 0 "[ . 1]" 1
117 1 6 DC H2'' 1 6 DC H6 3.600 . 4.100 2.906 2.349 3.710 . 0 0 "[ . 1]" 1
118 1 6 DC H1' 1 6 DC H2' 5.000 2.600 5.500 3.058 3.044 3.067 . 0 0 "[ . 1]" 1
119 1 6 DC H2' 1 6 DC H3' 3.600 . 4.100 2.335 2.314 2.384 . 0 0 "[ . 1]" 1
120 1 6 DC H2' 1 6 DC H4' 5.000 2.600 5.500 3.800 3.777 3.829 . 0 0 "[ . 1]" 1
121 1 6 DC H2' 1 6 DC H6 5.000 2.600 5.500 2.615 2.495 3.372 0.105 2 0 "[ . 1]" 1
122 1 6 DC H1' 1 6 DC H3' 5.000 2.600 5.500 3.728 3.696 3.752 . 0 0 "[ . 1]" 1
123 1 6 DC H3' 1 6 DC H6 5.000 2.600 5.500 4.600 4.433 5.002 . 0 0 "[ . 1]" 1
124 1 6 DC H1' 1 6 DC H4' 5.000 2.600 5.500 3.076 3.050 3.121 . 0 0 "[ . 1]" 1
125 1 6 DC H3' 1 6 DC H4' 5.000 2.600 5.500 2.813 2.777 2.833 . 0 0 "[ . 1]" 1
126 1 6 DC H5 1 6 DC H6 3.600 . 4.100 2.433 2.414 2.458 . 0 0 "[ . 1]" 1
127 1 7 DG H1 1 11 DG H1 5.000 2.600 5.500 4.322 4.271 4.388 . 0 0 "[ . 1]" 1
128 1 7 DG H1' 1 7 DG H8 5.000 2.600 5.500 3.868 3.794 3.921 . 0 0 "[ . 1]" 1
129 1 7 DG H1' 1 7 DG H2'' 3.600 . 4.100 2.331 2.310 2.375 . 0 0 "[ . 1]" 1
130 1 7 DG H2'' 1 7 DG H3' 3.600 . 4.100 2.731 2.696 2.743 . 0 0 "[ . 1]" 1
131 1 7 DG H2'' 1 7 DG H4' 5.000 2.600 5.500 4.054 3.988 4.126 . 0 0 "[ . 1]" 1
132 1 7 DG H2'' 1 7 DG H8 5.000 2.600 5.500 4.393 4.063 4.615 . 0 0 "[ . 1]" 1
133 1 7 DG H2'' 1 8 DG H8 5.000 2.600 5.500 2.620 2.548 3.076 0.052 7 0 "[ . 1]" 1
134 1 7 DG H1' 1 7 DG H2' 5.000 2.600 5.500 3.029 3.020 3.040 . 0 0 "[ . 1]" 1
135 1 7 DG H2' 1 7 DG H2'' 3.600 . 4.100 1.797 1.788 1.802 0.012 7 0 "[ . 1]" 1
136 1 7 DG H2' 1 7 DG H3' 3.600 . 4.100 2.360 2.342 2.402 . 0 0 "[ . 1]" 1
137 1 7 DG H2' 1 7 DG H4' 5.000 2.600 5.500 3.839 3.785 3.865 . 0 0 "[ . 1]" 1
138 1 7 DG H2' 1 7 DG H8 5.000 2.600 5.500 3.100 2.701 3.433 . 0 0 "[ . 1]" 1
139 1 7 DG H2' 1 8 DG H8 5.000 2.600 5.500 2.861 2.575 3.984 0.025 2 0 "[ . 1]" 1
140 1 7 DG H1' 1 7 DG H3' 5.000 2.600 5.500 3.856 3.792 3.920 . 0 0 "[ . 1]" 1
141 1 7 DG H3' 1 7 DG H8 5.000 2.600 5.500 4.732 4.508 5.006 . 0 0 "[ . 1]" 1
142 1 7 DG H1' 1 7 DG H4' 5.000 2.600 5.500 3.390 3.204 3.532 . 0 0 "[ . 1]" 1
143 1 3 DG H1 1 7 DG H8 5.000 2.600 5.500 5.035 5.021 5.050 . 0 0 "[ . 1]" 1
144 1 4 DG H1 1 7 DG H8 5.000 2.600 5.500 5.029 5.016 5.049 . 0 0 "[ . 1]" 1
145 1 7 DG H1 1 8 DG H1 5.000 2.600 5.500 3.307 3.222 3.413 . 0 0 "[ . 1]" 1
146 1 8 DG H1 1 11 DG H1 5.000 2.600 5.500 4.322 4.255 4.423 . 0 0 "[ . 1]" 1
147 1 8 DG H1' 1 8 DG H8 5.000 2.600 5.500 3.893 3.843 3.933 . 0 0 "[ . 1]" 1
148 1 8 DG H1' 1 9 DG H8 5.000 2.600 5.500 3.282 2.594 4.694 0.006 6 0 "[ . 1]" 1
149 1 8 DG H2'' 1 9 DG H8 5.000 2.600 5.500 2.667 2.583 2.886 0.017 7 0 "[ . 1]" 1
150 1 4 DG H1 1 8 DG H8 5.000 2.600 5.500 4.924 4.704 5.015 . 0 0 "[ . 1]" 1
151 1 5 DG H1 1 8 DG H8 5.000 2.600 5.500 5.003 4.920 5.057 . 0 0 "[ . 1]" 1
152 1 8 DG H1 1 9 DG H1 5.000 2.600 5.500 3.755 3.409 4.366 . 0 0 "[ . 1]" 1
153 1 9 DG H1' 1 9 DG H8 5.000 2.600 5.500 3.883 3.857 3.901 . 0 0 "[ . 1]" 1
154 1 9 DG H1' 1 9 DG H2'' 3.600 . 4.100 2.390 2.366 2.402 . 0 0 "[ . 1]" 1
155 1 9 DG H2'' 1 9 DG H8 3.600 . 4.100 3.593 3.340 3.667 . 0 0 "[ . 1]" 1
156 1 9 DG H1' 1 9 DG H2' 3.600 . 4.100 3.048 3.038 3.057 . 0 0 "[ . 1]" 1
157 1 9 DG H2' 1 9 DG H8 3.600 . 4.100 2.326 2.220 2.422 . 0 0 "[ . 1]" 1
158 1 5 DG H1 1 9 DG H8 5.000 2.600 5.500 5.027 5.008 5.048 . 0 0 "[ . 1]" 1
159 1 9 DG H3' 1 9 DG H8 5.000 2.600 5.500 4.527 4.413 4.630 . 0 0 "[ . 1]" 1
160 1 10 DA H1' 1 10 DA H8 5.000 2.600 5.500 3.663 3.120 3.900 . 0 0 "[ . 1]" 1
161 1 10 DA H1' 1 10 DA H2' 3.600 . 4.100 3.048 3.041 3.055 . 0 0 "[ . 1]" 1
162 1 10 DA H1' 1 10 DA H2'' 3.600 . 4.100 2.387 2.358 2.420 . 0 0 "[ . 1]" 1
163 1 10 DA H2' 1 10 DA H3' 3.600 . 4.100 2.354 2.342 2.378 . 0 0 "[ . 1]" 1
164 1 10 DA H2'' 1 10 DA H3' 3.600 . 4.100 2.726 2.711 2.740 . 0 0 "[ . 1]" 1
165 1 10 DA H2' 1 10 DA H4' 5.000 2.600 5.500 3.825 3.795 3.841 . 0 0 "[ . 1]" 1
166 1 10 DA H2'' 1 10 DA H4' 5.000 2.600 5.500 4.043 3.974 4.090 . 0 0 "[ . 1]" 1
167 1 10 DA H2' 1 10 DA H8 3.600 . 4.100 2.446 2.231 2.952 . 0 0 "[ . 1]" 1
168 1 10 DA H2'' 1 10 DA H8 3.600 . 4.100 3.171 2.510 3.617 . 0 0 "[ . 1]" 1
169 1 10 DA H3' 1 10 DA H8 5.000 2.600 5.500 4.607 4.377 4.989 . 0 0 "[ . 1]" 1
170 1 10 DA H1' 1 10 DA H3' 5.000 2.600 5.500 3.791 3.737 3.826 . 0 0 "[ . 1]" 1
171 1 10 DA H3' 1 10 DA H4' 5.000 2.600 5.500 2.797 2.750 2.833 . 0 0 "[ . 1]" 1
172 1 11 DG H1' 1 11 DG H8 5.000 2.600 5.500 3.867 3.780 3.911 . 0 0 "[ . 1]" 1
173 1 11 DG H1' 1 11 DG H2'' 3.600 . 4.100 2.355 2.331 2.376 . 0 0 "[ . 1]" 1
174 1 11 DG H2'' 1 11 DG H3' 3.600 . 4.100 2.726 2.719 2.734 . 0 0 "[ . 1]" 1
175 1 11 DG H2'' 1 11 DG H4' 5.000 2.600 5.500 4.096 4.029 4.144 . 0 0 "[ . 1]" 1
176 1 11 DG H2'' 1 11 DG H8 5.000 2.600 5.500 4.231 4.010 4.559 . 0 0 "[ . 1]" 1
177 1 11 DG H2'' 1 12 DG H8 3.600 . 4.100 2.466 2.180 2.868 . 0 0 "[ . 1]" 1
178 1 11 DG H1' 1 11 DG H2' 3.600 . 4.100 3.036 3.031 3.046 . 0 0 "[ . 1]" 1
179 1 11 DG H2' 1 11 DG H2'' 3.600 . 4.100 1.789 1.786 1.793 0.014 1 0 "[ . 1]" 1
180 1 11 DG H2' 1 11 DG H3' 3.600 . 4.100 2.370 2.340 2.402 . 0 0 "[ . 1]" 1
181 1 11 DG H2' 1 11 DG H4' 5.000 2.600 5.500 3.816 3.785 3.836 . 0 0 "[ . 1]" 1
182 1 11 DG H2' 1 11 DG H8 3.600 . 4.100 2.899 2.590 3.398 . 0 0 "[ . 1]" 1
183 1 11 DG H2' 1 12 DG H8 3.600 . 4.100 3.011 2.532 3.339 . 0 0 "[ . 1]" 1
184 1 11 DG H1' 1 11 DG H3' 5.000 2.600 5.500 3.837 3.805 3.849 . 0 0 "[ . 1]" 1
185 1 11 DG H3' 1 11 DG H8 5.000 2.600 5.500 4.654 4.414 4.998 . 0 0 "[ . 1]" 1
186 1 11 DG H3' 1 12 DG H8 5.000 2.600 5.500 4.778 4.358 5.008 . 0 0 "[ . 1]" 1
187 1 11 DG H1' 1 11 DG H4' 5.000 2.600 5.500 3.402 3.244 3.506 . 0 0 "[ . 1]" 1
188 1 11 DG H3' 1 11 DG H4' 5.000 2.600 5.500 2.749 2.712 2.805 . 0 0 "[ . 1]" 1
189 1 11 DG H4' 1 11 DG H8 5.000 2.600 5.500 4.580 4.419 4.704 . 0 0 "[ . 1]" 1
190 1 11 DG H1' 1 11 DG H5'' 5.000 2.600 5.500 4.783 4.602 5.014 . 0 0 "[ . 1]" 1
191 1 11 DG H3' 1 11 DG H5'' 5.000 2.600 5.500 3.238 2.576 3.691 0.024 4 0 "[ . 1]" 1
192 1 11 DG H4' 1 11 DG H5'' 3.600 . 4.100 2.451 2.392 2.546 . 0 0 "[ . 1]" 1
193 1 11 DG H5'' 1 11 DG H8 5.000 2.600 5.500 3.800 3.207 4.693 . 0 0 "[ . 1]" 1
194 1 11 DG H3' 1 11 DG H5' 5.000 2.600 5.500 3.119 2.594 3.682 0.006 10 0 "[ . 1]" 1
195 1 11 DG H4' 1 11 DG H5' 3.600 . 4.100 2.816 2.456 3.054 . 0 0 "[ . 1]" 1
196 1 11 DG H5' 1 11 DG H8 5.000 2.600 5.500 3.126 2.581 3.812 0.019 9 0 "[ . 1]" 1
197 1 7 DG H1 1 11 DG H8 5.000 2.600 5.500 5.007 4.985 5.018 . 0 0 "[ . 1]" 1
198 1 8 DG H1 1 12 DG H1 5.000 2.600 5.500 4.352 4.300 4.410 . 0 0 "[ . 1]" 1
199 1 11 DG H1 1 12 DG H1 5.000 2.600 5.500 4.178 3.987 4.414 . 0 0 "[ . 1]" 1
200 1 12 DG H1' 1 12 DG H8 5.000 2.600 5.500 3.929 3.891 3.948 . 0 0 "[ . 1]" 1
201 1 12 DG H1' 1 13 DG H8 5.000 2.600 5.500 3.739 2.909 4.084 . 0 0 "[ . 1]" 1
202 1 12 DG H2'' 1 12 DG H3' 3.600 . 4.100 2.737 2.710 2.748 . 0 0 "[ . 1]" 1
203 1 12 DG H2'' 1 13 DG H8 3.600 . 4.100 2.309 2.225 2.452 . 0 0 "[ . 1]" 1
204 1 8 DG H1 1 12 DG H8 5.000 2.600 5.500 5.036 4.996 5.053 . 0 0 "[ . 1]" 1
205 1 9 DG H1 1 12 DG H8 5.000 2.600 5.500 5.037 5.005 5.057 . 0 0 "[ . 1]" 1
206 1 9 DG H1 1 13 DG H1 5.000 2.600 5.500 4.465 4.361 4.546 . 0 0 "[ . 1]" 1
207 1 12 DG H1 1 13 DG H1 5.000 2.600 5.500 3.646 3.546 3.860 . 0 0 "[ . 1]" 1
208 1 13 DG H1' 1 13 DG H8 5.000 2.600 5.500 3.896 3.864 3.909 . 0 0 "[ . 1]" 1
209 1 13 DG H2'' 1 13 DG H8 3.600 . 4.100 3.630 3.608 3.672 . 0 0 "[ . 1]" 1
210 1 13 DG H2' 1 13 DG H8 3.600 . 4.100 2.371 2.332 2.417 . 0 0 "[ . 1]" 1
211 1 13 DG H3' 1 13 DG H8 5.000 2.600 5.500 4.544 4.486 4.622 . 0 0 "[ . 1]" 1
212 1 9 DG H1 1 13 DG H8 5.000 2.600 5.500 5.020 5.001 5.046 . 0 0 "[ . 1]" 1
213 1 14 DA H1' 1 14 DA H8 5.000 2.600 5.500 3.869 3.740 3.899 . 0 0 "[ . 1]" 1
214 1 14 DA H1' 1 14 DA H2' 3.600 . 4.100 3.044 3.038 3.052 . 0 0 "[ . 1]" 1
215 1 14 DA H1' 1 14 DA H2'' 3.600 . 4.100 2.366 2.347 2.402 . 0 0 "[ . 1]" 1
216 1 14 DA H2' 1 14 DA H3' 3.600 . 4.100 2.373 2.350 2.392 . 0 0 "[ . 1]" 1
217 1 14 DA H2'' 1 14 DA H3' 3.600 . 4.100 2.719 2.696 2.733 . 0 0 "[ . 1]" 1
218 1 14 DA H2' 1 14 DA H4' 5.000 2.600 5.500 3.827 3.793 3.837 . 0 0 "[ . 1]" 1
219 1 14 DA H2'' 1 14 DA H4' 5.000 2.600 5.500 4.086 4.034 4.103 . 0 0 "[ . 1]" 1
220 1 14 DA H2' 1 14 DA H8 3.600 . 4.100 2.255 2.227 2.280 . 0 0 "[ . 1]" 1
221 1 14 DA H2'' 1 14 DA H8 3.600 . 4.100 3.502 2.981 3.615 . 0 0 "[ . 1]" 1
222 1 14 DA H3' 1 14 DA H4' 5.000 2.600 5.500 2.763 2.732 2.818 . 0 0 "[ . 1]" 1
223 1 2 DA H2 1 15 DG H1' 6.500 3.500 7.000 4.970 4.627 5.113 . 0 0 "[ . 1]" 1
224 1 15 DG H1' 1 15 DG H8 5.000 2.600 5.500 3.906 3.801 3.922 . 0 0 "[ . 1]" 1
225 1 15 DG H1' 1 16 DG H8 5.000 2.600 5.500 3.837 3.525 4.742 . 0 0 "[ . 1]" 1
226 1 15 DG H1' 1 16 DG H5'' 5.000 2.600 5.500 4.948 4.797 5.028 . 0 0 "[ . 1]" 1
227 1 15 DG H1' 1 15 DG H2'' 3.600 . 4.100 2.372 2.287 2.401 . 0 0 "[ . 1]" 1
228 1 15 DG H2'' 1 15 DG H3' 5.000 2.600 5.500 2.718 2.693 2.738 . 0 0 "[ . 1]" 1
229 1 15 DG H2'' 1 15 DG H4' 5.000 2.600 5.500 4.045 3.971 4.138 . 0 0 "[ . 1]" 1
230 1 15 DG H2'' 1 15 DG H8 5.000 2.600 5.500 4.081 3.950 4.621 . 0 0 "[ . 1]" 1
231 1 15 DG H2'' 1 16 DG H8 5.000 2.600 5.500 2.571 2.551 2.589 0.049 4 0 "[ . 1]" 1
232 1 15 DG H1' 1 15 DG H2' 5.000 2.600 5.500 3.042 3.020 3.049 . 0 0 "[ . 1]" 1
233 1 15 DG H2' 1 15 DG H2'' 3.600 . 4.100 1.792 1.788 1.798 0.012 1 0 "[ . 1]" 1
234 1 15 DG H2' 1 15 DG H3' 3.600 . 4.100 2.363 2.326 2.382 . 0 0 "[ . 1]" 1
235 1 15 DG H2' 1 15 DG H4' 5.000 2.600 5.500 3.810 3.773 3.860 . 0 0 "[ . 1]" 1
236 1 15 DG H2' 1 15 DG H8 5.000 2.600 5.500 2.749 2.595 3.469 0.005 1 0 "[ . 1]" 1
237 1 15 DG H2' 1 16 DG H8 5.000 2.600 5.500 4.172 3.130 4.325 . 0 0 "[ . 1]" 1
238 1 15 DG H1' 1 15 DG H3' 5.000 2.600 5.500 3.795 3.759 3.874 . 0 0 "[ . 1]" 1
239 1 15 DG H3' 1 15 DG H8 5.000 2.600 5.500 4.658 4.560 4.904 . 0 0 "[ . 1]" 1
240 1 15 DG H3' 1 16 DG H8 5.000 2.600 5.500 4.838 4.081 5.008 . 0 0 "[ . 1]" 1
241 1 11 DG H1 1 15 DG H8 5.000 2.600 5.500 5.022 5.012 5.034 . 0 0 "[ . 1]" 1
242 1 15 DG H1' 1 15 DG H4' 5.000 2.600 5.500 3.238 2.990 3.521 . 0 0 "[ . 1]" 1
243 1 15 DG H3' 1 15 DG H4' 3.600 . 4.100 2.781 2.707 2.838 . 0 0 "[ . 1]" 1
244 1 15 DG H4' 1 15 DG H8 5.000 2.600 5.500 4.788 4.469 4.952 . 0 0 "[ . 1]" 1
245 1 15 DG H3' 1 15 DG H5'' 5.000 2.600 5.500 3.133 2.589 3.689 0.011 5 0 "[ . 1]" 1
246 1 15 DG H3' 1 15 DG H5' 5.000 2.600 5.500 3.256 2.696 3.652 . 0 0 "[ . 1]" 1
247 1 3 DG H1 1 16 DG H1 5.000 2.600 5.500 5.036 5.013 5.058 . 0 0 "[ . 1]" 1
248 1 16 DG H1' 1 16 DG H8 5.000 2.600 5.500 3.898 3.887 3.908 . 0 0 "[ . 1]" 1
249 1 16 DG H1' 1 17 DG H8 5.000 2.600 5.500 3.655 3.361 4.000 . 0 0 "[ . 1]" 1
250 1 16 DG H1' 1 16 DG H2'' 3.600 . 4.100 2.346 2.342 2.353 . 0 0 "[ . 1]" 1
251 1 16 DG H2'' 1 16 DG H3' 3.600 . 4.100 2.734 2.731 2.738 . 0 0 "[ . 1]" 1
252 1 16 DG H2'' 1 16 DG H4' 5.000 2.600 5.500 4.043 4.033 4.055 . 0 0 "[ . 1]" 1
253 1 16 DG H2'' 1 16 DG H8 5.000 2.600 5.500 3.852 3.691 3.942 . 0 0 "[ . 1]" 1
254 1 16 DG H2'' 1 17 DG H8 3.600 . 4.100 2.306 2.203 2.444 . 0 0 "[ . 1]" 1
255 1 16 DG H1' 1 16 DG H2' 5.000 2.600 5.500 3.032 3.027 3.036 . 0 0 "[ . 1]" 1
256 1 16 DG H2' 1 16 DG H3' 3.600 . 4.100 2.339 2.333 2.351 . 0 0 "[ . 1]" 1
257 1 16 DG H2' 1 16 DG H4' 5.000 2.600 5.500 3.852 3.846 3.856 . 0 0 "[ . 1]" 1
258 1 16 DG H2' 1 16 DG H8 3.600 . 4.100 2.391 2.280 2.498 . 0 0 "[ . 1]" 1
259 1 16 DG H1' 1 16 DG H3' 5.000 2.600 5.500 3.877 3.853 3.892 . 0 0 "[ . 1]" 1
260 1 16 DG H3' 1 16 DG H8 5.000 2.600 5.500 4.268 4.196 4.366 . 0 0 "[ . 1]" 1
261 1 16 DG H3' 1 17 DG H8 5.000 2.600 5.500 4.923 4.788 5.011 . 0 0 "[ . 1]" 1
262 1 16 DG H1' 1 16 DG H4' 5.000 2.600 5.500 3.375 3.305 3.404 . 0 0 "[ . 1]" 1
263 1 16 DG H3' 1 16 DG H4' 5.000 2.600 5.500 2.770 2.762 2.786 . 0 0 "[ . 1]" 1
264 1 16 DG H4' 1 16 DG H8 5.000 2.600 5.500 4.765 4.712 4.977 . 0 0 "[ . 1]" 1
265 1 16 DG H3' 1 16 DG H5'' 5.000 2.600 5.500 2.610 2.588 2.777 0.012 8 0 "[ . 1]" 1
266 1 16 DG H4' 1 16 DG H5'' 3.600 . 4.100 2.366 2.304 2.385 . 0 0 "[ . 1]" 1
267 1 16 DG H5'' 1 16 DG H8 5.000 2.600 5.500 4.578 4.481 4.956 . 0 0 "[ . 1]" 1
268 1 16 DG H3' 1 16 DG H5' 5.000 2.600 5.500 3.672 3.658 3.688 . 0 0 "[ . 1]" 1
269 1 16 DG H4' 1 16 DG H5' 3.600 . 4.100 2.487 2.463 2.565 . 0 0 "[ . 1]" 1
270 1 16 DG H5' 1 16 DG H8 5.000 2.600 5.500 3.856 3.753 4.076 . 0 0 "[ . 1]" 1
271 1 12 DG H1 1 16 DG H8 5.000 2.600 5.500 5.002 4.981 5.034 . 0 0 "[ . 1]" 1
272 1 13 DG H1 1 16 DG H8 5.000 2.600 5.500 4.996 4.834 5.029 . 0 0 "[ . 1]" 1
273 1 13 DG H1 1 17 DG H1 5.000 2.600 5.500 4.424 4.380 4.472 . 0 0 "[ . 1]" 1
274 1 16 DG H1 1 17 DG H1 5.000 2.600 5.500 3.538 3.394 3.721 . 0 0 "[ . 1]" 1
275 1 17 DG H1' 1 17 DG H8 5.000 2.600 5.500 3.849 3.823 3.877 . 0 0 "[ . 1]" 1
276 1 17 DG H1' 1 18 DA H8 5.000 2.600 5.500 4.578 4.310 4.662 . 0 0 "[ . 1]" 1
277 1 17 DG H1' 1 18 DA H4' 5.000 2.600 5.500 3.435 3.215 3.605 . 0 0 "[ . 1]" 1
278 1 17 DG H1' 1 18 DA H5' 5.000 2.600 5.500 2.812 2.556 5.033 0.044 1 0 "[ . 1]" 1
279 1 17 DG H1' 1 17 DG H2'' 3.600 . 4.100 2.409 2.384 2.423 . 0 0 "[ . 1]" 1
280 1 17 DG H2'' 1 17 DG H3' 3.600 . 4.100 2.732 2.693 2.741 . 0 0 "[ . 1]" 1
281 1 17 DG H2'' 1 18 DA H5' 5.000 2.600 5.500 3.316 3.076 4.249 . 0 0 "[ . 1]" 1
282 1 17 DG H2'' 1 17 DG H8 3.600 . 4.100 3.496 3.221 3.600 . 0 0 "[ . 1]" 1
283 1 17 DG H2'' 1 18 DA H8 5.000 2.600 5.500 2.591 2.580 2.599 0.020 8 0 "[ . 1]" 1
284 1 17 DG H1' 1 17 DG H2' 5.000 2.600 5.500 3.052 3.040 3.058 . 0 0 "[ . 1]" 1
285 1 17 DG H2' 1 17 DG H2'' 3.600 . 4.100 1.786 1.784 1.788 0.016 1 0 "[ . 1]" 1
286 1 17 DG H2' 1 17 DG H3' 3.600 . 4.100 2.339 2.330 2.360 . 0 0 "[ . 1]" 1
287 1 17 DG H2' 1 17 DG H8 3.600 . 4.100 2.247 2.193 2.295 . 0 0 "[ . 1]" 1
288 1 17 DG H2' 1 18 DA H8 5.000 2.600 5.500 3.493 3.272 3.833 . 0 0 "[ . 1]" 1
289 1 17 DG H1' 1 17 DG H3' 5.000 2.600 5.500 3.778 3.718 3.797 . 0 0 "[ . 1]" 1
290 1 17 DG H3' 1 17 DG H8 5.000 2.600 5.500 4.438 4.383 4.533 . 0 0 "[ . 1]" 1
291 1 17 DG H3' 1 18 DA H8 5.000 2.600 5.500 4.844 4.726 5.021 . 0 0 "[ . 1]" 1
292 1 17 DG H1' 1 17 DG H4' 5.000 2.600 5.500 3.064 3.020 3.156 . 0 0 "[ . 1]" 1
293 1 17 DG H3' 1 17 DG H4' 5.000 2.600 5.500 2.824 2.788 2.834 . 0 0 "[ . 1]" 1
294 1 16 DG H8 1 17 DG H8 5.000 2.600 5.500 4.840 4.508 5.008 . 0 0 "[ . 1]" 1
295 1 17 DG H8 1 18 DA H8 5.000 2.600 5.500 4.392 4.207 4.647 . 0 0 "[ . 1]" 1
296 1 13 DG H1 1 17 DG H8 5.000 2.600 5.500 5.017 5.003 5.024 . 0 0 "[ . 1]" 1
297 1 18 DA H1' 1 18 DA H8 5.000 2.600 5.500 3.886 3.854 3.921 . 0 0 "[ . 1]" 1
298 1 18 DA H1' 1 19 DA H8 5.000 2.600 5.500 4.179 2.874 4.850 . 0 0 "[ . 1]" 1
299 1 17 DG H1 1 18 DA H2 3.600 . 4.100 3.631 3.609 3.653 . 0 0 "[ . 1]" 1
300 1 13 DG H1 1 18 DA H2 5.000 2.600 5.500 3.288 3.035 3.554 . 0 0 "[ . 1]" 1
301 1 5 DG H1 1 18 DA H2 5.000 2.600 5.500 4.629 4.202 4.953 . 0 0 "[ . 1]" 1
302 1 18 DA H1' 1 18 DA H2'' 3.600 . 4.100 2.400 2.352 2.420 . 0 0 "[ . 1]" 1
303 1 18 DA H2'' 1 18 DA H3' 3.600 . 4.100 2.741 2.710 2.761 . 0 0 "[ . 1]" 1
304 1 18 DA H2'' 1 18 DA H4' 5.000 2.600 5.500 3.960 3.921 4.103 . 0 0 "[ . 1]" 1
305 1 18 DA H2'' 1 18 DA H5' 6.500 3.500 7.000 5.300 4.795 5.387 . 0 0 "[ . 1]" 1
306 1 18 DA H2'' 1 18 DA H8 5.000 2.600 5.500 3.726 3.570 4.258 . 0 0 "[ . 1]" 1
307 1 18 DA H1' 1 18 DA H2' 3.600 . 4.100 3.049 3.033 3.059 . 0 0 "[ . 1]" 1
308 1 18 DA H2' 1 18 DA H3' 3.600 . 4.100 2.341 2.315 2.376 . 0 0 "[ . 1]" 1
309 1 18 DA H2' 1 18 DA H4' 5.000 2.600 5.500 3.808 3.793 3.833 . 0 0 "[ . 1]" 1
310 1 18 DA H2' 1 18 DA H5' 5.000 2.600 5.500 4.332 3.729 4.465 . 0 0 "[ . 1]" 1
311 1 18 DA H2' 1 18 DA H8 3.600 . 4.100 2.428 2.297 2.881 . 0 0 "[ . 1]" 1
312 1 18 DA H3' 1 18 DA H8 5.000 2.600 5.500 4.499 4.414 4.631 . 0 0 "[ . 1]" 1
313 1 17 DG H8 1 18 DA H4' 6.500 3.500 7.000 6.554 6.508 6.581 . 0 0 "[ . 1]" 1
314 1 18 DA H1' 1 18 DA H4' 5.000 2.600 5.500 2.948 2.865 3.483 . 0 0 "[ . 1]" 1
315 1 18 DA H3' 1 18 DA H4' 5.000 2.600 5.500 2.857 2.771 2.878 . 0 0 "[ . 1]" 1
316 1 18 DA H4' 1 18 DA H8 5.000 2.600 5.500 4.967 4.452 5.052 . 0 0 "[ . 1]" 1
317 1 18 DA H3' 1 18 DA H5' 5.000 2.600 5.500 3.511 2.558 3.636 0.042 8 0 "[ . 1]" 1
318 1 18 DA H5' 1 18 DA H8 5.000 2.600 5.500 4.934 4.221 5.022 . 0 0 "[ . 1]" 1
319 1 19 DA H1' 1 19 DA H8 5.000 2.600 5.500 3.787 3.539 3.916 . 0 0 "[ . 1]" 1
320 1 19 DA H1' 1 19 DA H2'' 3.600 . 4.100 2.384 2.355 2.405 . 0 0 "[ . 1]" 1
321 1 19 DA H2'' 1 19 DA H3' 5.000 2.600 5.500 2.726 2.699 2.740 . 0 0 "[ . 1]" 1
322 1 19 DA H2'' 1 19 DA H4' 5.000 2.600 5.500 4.042 3.979 4.117 . 0 0 "[ . 1]" 1
323 1 19 DA H2'' 1 19 DA H8 5.000 2.600 5.500 3.606 2.822 4.535 . 0 0 "[ . 1]" 1
324 1 19 DA H1' 1 19 DA H2' 3.600 . 4.100 3.047 3.035 3.054 . 0 0 "[ . 1]" 1
325 1 19 DA H2' 1 19 DA H3' 3.600 . 4.100 2.356 2.344 2.376 . 0 0 "[ . 1]" 1
326 1 19 DA H2' 1 19 DA H4' 5.000 2.600 5.500 3.830 3.809 3.861 . 0 0 "[ . 1]" 1
327 1 19 DA H2' 1 19 DA H8 3.600 . 4.100 2.538 2.264 3.358 . 0 0 "[ . 1]" 1
328 1 19 DA H3' 1 19 DA H8 5.000 2.600 5.500 4.613 4.466 5.004 . 0 0 "[ . 1]" 1
329 1 19 DA H1' 1 19 DA H4' 5.000 2.600 5.500 3.211 3.010 3.468 . 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 24
_Distance_constraint_stats_list.Viol_count 27
_Distance_constraint_stats_list.Viol_total 4.424
_Distance_constraint_stats_list.Viol_max 0.043
_Distance_constraint_stats_list.Viol_rms 0.0065
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0164
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 DG 0.068 0.015 6 0 "[ . 1]"
1 4 DG 0.271 0.043 9 0 "[ . 1]"
1 5 DG 0.002 0.002 4 0 "[ . 1]"
1 7 DG 0.153 0.031 8 0 "[ . 1]"
1 8 DG 0.007 0.007 9 0 "[ . 1]"
1 9 DG 0.002 0.002 4 0 "[ . 1]"
1 11 DG 0.086 0.031 8 0 "[ . 1]"
1 12 DG 0.008 0.007 9 0 "[ . 1]"
1 13 DG 0.009 0.009 5 0 "[ . 1]"
1 15 DG 0.000 0.000 . 0 "[ . 1]"
1 16 DG 0.272 0.043 9 0 "[ . 1]"
1 17 DG 0.009 0.009 5 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 O6 1 15 DG H1 1.900 . 2.400 1.964 1.944 2.008 . 0 0 "[ . 1]" 2
2 1 3 DG N7 1 15 DG H21 2.100 . 2.600 1.932 1.920 1.944 . 0 0 "[ . 1]" 2
3 1 3 DG H1 1 7 DG O6 1.900 . 2.400 2.051 2.023 2.095 . 0 0 "[ . 1]" 2
4 1 3 DG H21 1 7 DG N7 2.100 . 2.600 1.898 1.885 1.917 0.015 6 0 "[ . 1]" 2
5 1 7 DG H1 1 11 DG O6 1.900 . 2.400 1.941 1.915 1.957 . 0 0 "[ . 1]" 2
6 1 7 DG H21 1 11 DG N7 2.100 . 2.600 1.897 1.869 1.944 0.031 8 0 "[ . 1]" 2
7 1 11 DG H1 1 15 DG O6 1.900 . 2.400 1.969 1.943 1.998 . 0 0 "[ . 1]" 2
8 1 11 DG H21 1 15 DG N7 2.100 . 2.600 1.959 1.938 1.986 . 0 0 "[ . 1]" 2
9 1 4 DG O6 1 16 DG H1 1.900 . 2.400 1.963 1.932 1.999 . 0 0 "[ . 1]" 2
10 1 4 DG N7 1 16 DG H21 2.100 . 2.600 1.873 1.857 1.884 0.043 9 0 "[ . 1]" 2
11 1 4 DG H1 1 8 DG O6 1.900 . 2.400 2.022 1.932 2.186 . 0 0 "[ . 1]" 2
12 1 4 DG H21 1 8 DG N7 2.100 . 2.600 2.111 2.014 2.251 . 0 0 "[ . 1]" 2
13 1 8 DG H1 1 12 DG O6 1.900 . 2.400 1.952 1.931 1.976 . 0 0 "[ . 1]" 2
14 1 8 DG H21 1 12 DG N7 2.100 . 2.600 1.917 1.893 1.958 0.007 9 0 "[ . 1]" 2
15 1 12 DG H1 1 16 DG O6 1.900 . 2.400 1.924 1.900 1.961 . 0 0 "[ . 1]" 2
16 1 12 DG H21 1 16 DG N7 2.100 . 2.600 1.914 1.899 1.925 0.001 2 0 "[ . 1]" 2
17 1 5 DG O6 1 17 DG H1 1.900 . 2.400 2.036 1.971 2.078 . 0 0 "[ . 1]" 2
18 1 5 DG N7 1 17 DG H21 2.100 . 2.600 1.977 1.929 2.014 . 0 0 "[ . 1]" 2
19 1 5 DG H1 1 9 DG O6 1.900 . 2.400 1.989 1.963 2.025 . 0 0 "[ . 1]" 2
20 1 5 DG H21 1 9 DG N7 2.100 . 2.600 1.922 1.898 1.938 0.002 4 0 "[ . 1]" 2
21 1 9 DG H1 1 13 DG O6 1.900 . 2.400 2.029 1.941 2.106 . 0 0 "[ . 1]" 2
22 1 9 DG H21 1 13 DG N7 2.100 . 2.600 2.002 1.946 2.120 . 0 0 "[ . 1]" 2
23 1 13 DG H1 1 17 DG O6 1.900 . 2.400 2.001 1.976 2.041 . 0 0 "[ . 1]" 2
24 1 13 DG H21 1 17 DG N7 2.100 . 2.600 1.911 1.891 1.933 0.009 5 0 "[ . 1]" 2
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