NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
549810 |
2lk7   |
17980 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lk7
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 399
_Distance_constraint_stats_list.Viol_count 300
_Distance_constraint_stats_list.Viol_total 372.953
_Distance_constraint_stats_list.Viol_max 0.852
_Distance_constraint_stats_list.Viol_rms 0.0639
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0093
_Distance_constraint_stats_list.Viol_average_violations_only 0.1243
_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 4.327 0.613 10 5 "[ * * -* +]"
1 2 DT 5.967 0.613 10 5 "[ * * -* +]"
1 3 DG 4.609 0.617 3 1 "[ + . 1]"
1 4 DG 0.317 0.056 3 0 "[ . 1]"
1 5 DG 1.846 0.393 2 0 "[ . 1]"
1 6 DT 2.529 0.717 5 1 "[ + 1]"
1 7 DG 4.267 0.805 1 4 "[+* *. -1]"
1 8 DG 4.237 0.805 1 4 "[+* *. -1]"
1 9 DG 5.533 0.798 2 2 "[*+ . 1]"
1 10 DT 4.619 0.798 2 2 "[*+ . 1]"
1 11 DG 6.675 0.852 1 8 "[+-* **** *]"
1 12 DG 7.445 0.852 1 8 "[+-* **** *]"
1 13 DG 1.786 0.358 10 0 "[ . 1]"
1 14 DT 1.476 0.358 10 0 "[ . 1]"
1 15 DG 3.447 0.716 5 3 "[ + * -1]"
1 16 DG 3.915 0.716 5 3 "[ + * -1]"
1 17 DG 1.449 0.075 9 0 "[ . 1]"
1 18 DT 0.405 0.075 2 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 2.000 . 3.000 2.659 2.658 2.660 . 0 0 "[ . 1]" 1
2 1 1 DT H1' 1 1 DT H2'' 2.000 . 3.000 2.350 2.248 2.405 . 0 0 "[ . 1]" 1
3 1 2 DT C7 1 2 DT H6 2.000 . 3.000 2.658 2.656 2.660 . 0 0 "[ . 1]" 1
4 1 2 DT H2' 1 2 DT H6 2.000 . 3.000 2.524 2.193 2.940 . 0 0 "[ . 1]" 1
5 1 2 DT H1' 1 2 DT H2'' 2.000 . 3.000 2.403 2.383 2.427 . 0 0 "[ . 1]" 1
6 1 2 DT H4' 1 2 DT H5' 3.750 2.500 5.000 2.447 2.434 2.467 0.066 7 0 "[ . 1]" 1
7 1 2 DT H4' 1 2 DT H5'' 3.750 2.500 5.000 2.610 2.483 3.040 0.017 1 0 "[ . 1]" 1
8 1 3 DG H2' 1 3 DG H3' 2.000 . 3.000 2.323 2.311 2.338 . 0 0 "[ . 1]" 1
9 1 3 DG H2' 1 3 DG H8 2.000 . 3.000 2.202 2.142 2.363 . 0 0 "[ . 1]" 1
10 1 3 DG H1' 1 3 DG H2'' 2.000 . 3.000 2.313 2.242 2.371 . 0 0 "[ . 1]" 1
11 1 5 DG H2' 1 5 DG H8 2.000 . 3.000 2.443 2.323 2.576 . 0 0 "[ . 1]" 1
12 1 5 DG H1' 1 5 DG H2'' 2.000 . 3.000 2.403 2.381 2.425 . 0 0 "[ . 1]" 1
13 1 6 DT C7 1 6 DT H6 2.000 . 3.000 2.659 2.658 2.660 . 0 0 "[ . 1]" 1
14 1 6 DT H1' 1 6 DT H2' 3.750 . 5.500 3.028 3.026 3.030 . 0 0 "[ . 1]" 1
15 1 6 DT H1' 1 6 DT H2'' 3.750 . 5.500 2.359 2.189 2.462 . 0 0 "[ . 1]" 1
16 1 8 DG H1' 1 8 DG H2'' 2.000 . 3.000 2.319 2.255 2.415 . 0 0 "[ . 1]" 1
17 1 9 DG H2' 1 9 DG H8 2.000 . 3.000 2.617 2.452 2.804 . 0 0 "[ . 1]" 1
18 1 9 DG H1' 1 9 DG H2'' 2.000 . 3.000 2.403 2.378 2.434 . 0 0 "[ . 1]" 1
19 1 10 DT C7 1 10 DT H6 2.000 . 3.000 2.659 2.658 2.660 . 0 0 "[ . 1]" 1
20 1 10 DT H1' 1 10 DT H2' 3.750 2.500 5.000 3.025 3.020 3.028 . 0 0 "[ . 1]" 1
21 1 10 DT H1' 1 10 DT H2'' 3.750 . 5.500 2.295 2.199 2.401 . 0 0 "[ . 1]" 1
22 1 11 DG H1' 1 11 DG H2'' 2.000 . 3.000 2.492 2.201 2.634 . 0 0 "[ . 1]" 1
23 1 12 DG H1' 1 12 DG H2'' 2.000 . 3.000 2.460 2.376 2.545 . 0 0 "[ . 1]" 1
24 1 13 DG H1' 1 13 DG H2'' 2.000 . 3.000 2.404 2.370 2.418 . 0 0 "[ . 1]" 1
25 1 14 DT C7 1 14 DT H6 2.000 . 3.000 2.659 2.658 2.660 . 0 0 "[ . 1]" 1
26 1 14 DT H1' 1 14 DT H2' 3.750 . 5.500 3.025 3.020 3.028 . 0 0 "[ . 1]" 1
27 1 14 DT H1' 1 14 DT H2'' 3.750 . 5.500 2.316 2.191 2.433 . 0 0 "[ . 1]" 1
28 1 15 DG H1' 1 15 DG H2'' 2.000 . 3.000 2.426 2.363 2.578 . 0 0 "[ . 1]" 1
29 1 15 DG H2'' 1 16 DG H8 3.750 . 5.500 2.231 2.196 2.332 . 0 0 "[ . 1]" 1
30 1 16 DG H2'' 1 16 DG H8 3.750 2.500 5.000 3.894 3.780 3.988 . 0 0 "[ . 1]" 1
31 1 16 DG H4' 1 16 DG H8 5.500 4.000 7.000 4.976 4.916 5.025 . 0 0 "[ . 1]" 1
32 1 17 DG H2' 1 17 DG H3' 2.000 . 3.000 2.314 2.299 2.326 . 0 0 "[ . 1]" 1
33 1 17 DG H2' 1 17 DG H8 2.000 . 3.000 2.466 2.363 2.644 . 0 0 "[ . 1]" 1
34 1 17 DG H1' 1 17 DG H2'' 2.000 . 3.000 2.351 2.199 2.524 . 0 0 "[ . 1]" 1
35 1 17 DG H2'' 1 17 DG H3' 2.000 . 3.000 2.831 2.598 2.992 . 0 0 "[ . 1]" 1
36 1 18 DT C7 1 18 DT H6 2.000 . 3.000 2.659 2.657 2.660 . 0 0 "[ . 1]" 1
37 1 18 DT H1' 1 18 DT H2' 3.750 2.500 5.000 3.031 3.030 3.032 . 0 0 "[ . 1]" 1
38 1 18 DT H2' 1 18 DT H6 2.000 . 3.000 2.231 2.179 2.488 . 0 0 "[ . 1]" 1
39 1 1 DT H1' 1 1 DT H6 3.750 3.000 5.000 3.729 3.711 3.734 . 0 0 "[ . 1]" 1
40 1 1 DT H1' 1 1 DT H2' 3.750 2.500 5.000 3.025 3.022 3.028 . 0 0 "[ . 1]" 1
41 1 1 DT H2' 1 1 DT H6 2.000 . 3.000 2.287 2.196 2.577 . 0 0 "[ . 1]" 1
42 1 1 DT H2'' 1 1 DT H6 3.750 2.500 5.000 3.733 3.593 4.010 . 0 0 "[ . 1]" 1
43 1 1 DT H2'' 1 2 DT H6 3.750 2.500 5.000 4.490 3.902 4.989 . 0 0 "[ . 1]" 1
44 1 1 DT H1' 1 1 DT H3' 3.750 2.500 5.000 3.825 3.805 3.841 . 0 0 "[ . 1]" 1
45 1 1 DT H3' 1 1 DT H6 3.750 2.500 5.000 4.028 3.921 4.143 . 0 0 "[ . 1]" 1
46 1 1 DT H3' 1 1 DT H5' 3.750 2.500 5.000 3.009 2.555 3.646 . 0 0 "[ . 1]" 1
47 1 1 DT H3' 1 1 DT H5'' 3.750 2.500 5.000 2.987 2.510 3.640 . 0 0 "[ . 1]" 1
48 1 1 DT H1' 1 2 DT C7 5.500 4.000 7.000 4.618 3.999 5.837 0.001 9 0 "[ . 1]" 1
49 1 1 DT H2'' 1 2 DT C7 5.500 4.000 7.000 4.609 4.083 5.104 . 0 0 "[ . 1]" 1
50 1 2 DT H1' 1 2 DT H6 3.750 3.000 5.000 3.708 3.660 3.734 . 0 0 "[ . 1]" 1
51 1 2 DT H1' 1 2 DT H2' 3.750 2.500 5.000 3.025 3.024 3.027 . 0 0 "[ . 1]" 1
52 1 2 DT H2'' 1 2 DT H6 3.750 2.500 5.000 3.945 3.672 4.243 . 0 0 "[ . 1]" 1
53 1 2 DT H3' 1 2 DT H5' 3.750 2.500 5.000 3.444 2.649 3.645 . 0 0 "[ . 1]" 1
54 1 2 DT H3' 1 2 DT H5'' 3.750 2.500 5.000 2.494 2.431 2.566 0.069 7 0 "[ . 1]" 1
55 1 2 DT H5' 1 2 DT H6 5.500 3.500 7.000 4.189 3.489 4.983 0.011 7 0 "[ . 1]" 1
56 1 2 DT H5'' 1 2 DT H6 5.500 3.500 7.000 4.383 3.429 4.938 0.071 2 0 "[ . 1]" 1
57 1 3 DG H1' 1 3 DG H8 3.750 2.500 5.000 3.895 3.875 3.913 . 0 0 "[ . 1]" 1
58 1 3 DG H1' 1 4 DG H8 3.750 2.500 5.000 3.685 3.387 4.007 . 0 0 "[ . 1]" 1
59 1 3 DG H1' 1 3 DG H2' 3.750 2.500 5.000 3.023 3.020 3.026 . 0 0 "[ . 1]" 1
60 1 3 DG H2' 1 4 DG H8 3.750 2.500 5.000 4.073 3.807 4.286 . 0 0 "[ . 1]" 1
61 1 3 DG H2'' 1 3 DG H3' 3.750 2.500 5.000 2.874 2.789 2.940 . 0 0 "[ . 1]" 1
62 1 3 DG H2'' 1 3 DG H8 3.750 2.500 5.000 3.546 3.387 3.799 . 0 0 "[ . 1]" 1
63 1 3 DG H2'' 1 4 DG H8 3.750 2.500 5.000 2.850 2.664 3.014 . 0 0 "[ . 1]" 1
64 1 3 DG H1' 1 3 DG H3' 3.750 2.500 5.000 3.830 3.814 3.846 . 0 0 "[ . 1]" 1
65 1 3 DG H3' 1 3 DG H8 3.750 2.500 5.000 4.254 4.180 4.308 . 0 0 "[ . 1]" 1
66 1 3 DG H1' 1 3 DG H4' 3.750 2.500 5.000 2.932 2.878 3.064 . 0 0 "[ . 1]" 1
67 1 3 DG H3' 1 3 DG H4' 3.750 2.500 5.000 2.883 2.842 2.906 . 0 0 "[ . 1]" 1
68 1 2 DT H1' 1 2 DT H4' 3.750 2.500 5.000 2.990 2.808 3.214 . 0 0 "[ . 1]" 1
69 1 2 DT H3' 1 2 DT H4' 3.750 2.500 5.000 2.855 2.788 2.903 . 0 0 "[ . 1]" 1
70 1 2 DT H4' 1 3 DG H8 3.750 2.500 5.000 3.867 3.191 4.423 . 0 0 "[ . 1]" 1
71 1 3 DG H3' 1 3 DG H5' 3.750 2.500 5.000 2.519 2.475 2.586 0.025 4 0 "[ . 1]" 1
72 1 3 DG H3' 1 3 DG H5'' 3.750 2.500 5.000 2.634 2.563 2.684 . 0 0 "[ . 1]" 1
73 1 3 DG H5' 1 3 DG H8 3.750 2.500 5.000 5.372 5.172 5.617 0.617 3 1 "[ + . 1]" 1
74 1 3 DG H5'' 1 3 DG H8 3.750 2.500 5.000 3.851 3.594 4.151 . 0 0 "[ . 1]" 1
75 1 4 DG H1' 1 4 DG H8 3.750 2.500 5.000 3.916 3.911 3.921 . 0 0 "[ . 1]" 1
76 1 4 DG H1' 1 5 DG H8 3.750 2.500 5.000 4.114 3.867 4.351 . 0 0 "[ . 1]" 1
77 1 4 DG H1' 1 4 DG H2' 3.750 2.500 5.000 3.024 3.020 3.026 . 0 0 "[ . 1]" 1
78 1 4 DG H2' 1 4 DG H8 3.750 2.500 5.000 2.545 2.481 2.604 0.019 3 0 "[ . 1]" 1
79 1 3 DG H1' 1 4 DG H2'' 5.500 4.000 7.000 6.221 6.069 6.643 . 0 0 "[ . 1]" 1
80 1 4 DG H1' 1 4 DG H2'' 3.750 2.500 5.000 2.484 2.467 2.498 0.033 2 0 "[ . 1]" 1
81 1 4 DG H2'' 1 4 DG H3' 3.750 2.500 5.000 2.681 2.635 2.722 . 0 0 "[ . 1]" 1
82 1 4 DG H2'' 1 4 DG H8 3.750 2.500 5.000 4.069 3.998 4.125 . 0 0 "[ . 1]" 1
83 1 4 DG H2'' 1 5 DG H8 3.750 2.500 5.000 2.734 2.560 2.901 . 0 0 "[ . 1]" 1
84 1 4 DG H1' 1 4 DG H3' 3.750 2.500 5.000 3.841 3.834 3.859 . 0 0 "[ . 1]" 1
85 1 4 DG H3' 1 4 DG H4' 3.750 2.500 5.000 2.898 2.868 2.914 . 0 0 "[ . 1]" 1
86 1 4 DG H3' 1 4 DG H8 3.750 2.500 5.000 4.284 4.222 4.327 . 0 0 "[ . 1]" 1
87 1 4 DG H1' 1 4 DG H4' 3.750 2.500 5.000 2.882 2.818 2.980 . 0 0 "[ . 1]" 1
88 1 4 DG H3' 1 4 DG H5' 3.750 2.500 5.000 3.637 3.632 3.642 . 0 0 "[ . 1]" 1
89 1 4 DG H3' 1 4 DG H5'' 3.750 2.500 5.000 2.551 2.502 2.593 . 0 0 "[ . 1]" 1
90 1 3 DG H8 1 4 DG H8 3.750 2.500 5.000 4.707 4.464 4.990 . 0 0 "[ . 1]" 1
91 1 5 DG H1' 1 5 DG H8 3.750 2.500 5.000 3.916 3.911 3.919 . 0 0 "[ . 1]" 1
92 1 5 DG H1' 1 5 DG H2' 3.750 2.500 5.000 3.025 3.023 3.027 . 0 0 "[ . 1]" 1
93 1 5 DG H2'' 1 5 DG H8 3.750 2.500 5.000 3.886 3.760 4.024 . 0 0 "[ . 1]" 1
94 1 5 DG H1' 1 5 DG H3' 3.750 2.500 5.000 3.821 3.804 3.833 . 0 0 "[ . 1]" 1
95 1 5 DG H1' 1 5 DG H4' 3.750 2.500 5.000 2.955 2.890 3.021 . 0 0 "[ . 1]" 1
96 1 6 DT H1' 1 6 DT H6 3.750 3.000 5.000 3.688 3.280 3.736 . 0 0 "[ . 1]" 1
97 1 6 DT H2' 1 6 DT H6 2.000 . 3.000 2.207 2.173 2.260 . 0 0 "[ . 1]" 1
98 1 6 DT H2'' 1 6 DT H6 3.750 2.500 5.000 3.533 2.497 3.747 0.003 5 0 "[ . 1]" 1
99 1 6 DT H1' 1 6 DT H3' 3.750 2.500 5.000 3.809 3.798 3.819 . 0 0 "[ . 1]" 1
100 1 6 DT H3' 1 6 DT H6 3.750 2.500 5.000 4.118 4.024 4.432 . 0 0 "[ . 1]" 1
101 1 6 DT H1' 1 6 DT H4' 3.750 2.500 5.000 3.090 2.912 3.266 . 0 0 "[ . 1]" 1
102 1 6 DT H5' 1 6 DT H6 3.750 2.500 5.000 3.465 2.626 4.637 . 0 0 "[ . 1]" 1
103 1 6 DT H5'' 1 6 DT H6 3.750 2.500 5.000 4.022 2.876 5.717 0.717 5 1 "[ + 1]" 1
104 1 7 DG H1' 1 7 DG H8 3.750 2.500 5.000 3.755 3.600 3.901 . 0 0 "[ . 1]" 1
105 1 7 DG H1' 1 8 DG H8 3.750 2.500 5.000 4.472 3.632 5.010 0.010 3 0 "[ . 1]" 1
106 1 7 DG H1' 1 7 DG H2' 3.750 2.500 5.000 3.022 3.008 3.030 . 0 0 "[ . 1]" 1
107 1 7 DG H2' 1 7 DG H8 3.750 2.500 5.000 3.445 2.784 3.883 . 0 0 "[ . 1]" 1
108 1 7 DG H2' 1 8 DG H8 3.750 2.500 5.000 2.703 2.473 3.093 0.027 6 0 "[ . 1]" 1
109 1 7 DG H1' 1 7 DG H2'' 3.750 2.500 5.000 2.501 2.472 2.607 0.028 10 0 "[ . 1]" 1
110 1 7 DG H2'' 1 8 DG H8 3.750 2.500 5.000 2.643 2.474 3.208 0.026 8 0 "[ . 1]" 1
111 1 7 DG H1' 1 7 DG H3' 3.750 2.500 5.000 3.845 3.808 3.907 . 0 0 "[ . 1]" 1
112 1 7 DG H1' 1 7 DG H4' 3.750 2.500 5.000 3.149 2.862 3.519 . 0 0 "[ . 1]" 1
113 1 8 DG H1' 1 9 DG H8 3.750 2.500 5.000 4.050 3.531 4.469 . 0 0 "[ . 1]" 1
114 1 8 DG H1' 1 8 DG H2' 3.750 2.500 5.000 3.022 3.016 3.027 . 0 0 "[ . 1]" 1
115 1 8 DG H2' 1 8 DG H8 3.750 2.500 5.000 2.739 2.492 3.210 0.008 7 0 "[ . 1]" 1
116 1 8 DG H2'' 1 9 DG H8 3.750 2.500 5.000 2.586 2.492 2.740 0.008 1 0 "[ . 1]" 1
117 1 8 DG H1' 1 8 DG H3' 3.750 2.500 5.000 3.827 3.806 3.841 . 0 0 "[ . 1]" 1
118 1 8 DG H3' 1 8 DG H8 3.750 2.500 5.000 4.376 4.259 4.616 . 0 0 "[ . 1]" 1
119 1 8 DG H1' 1 8 DG H4' 3.750 2.500 5.000 2.775 2.662 2.834 . 0 0 "[ . 1]" 1
120 1 9 DG H1' 1 9 DG H2' 3.750 2.500 5.000 3.027 3.023 3.033 . 0 0 "[ . 1]" 1
121 1 9 DG H2'' 1 9 DG H8 3.750 2.500 5.000 4.043 3.883 4.216 . 0 0 "[ . 1]" 1
122 1 9 DG H1' 1 9 DG H3' 3.750 2.500 5.000 3.820 3.779 3.843 . 0 0 "[ . 1]" 1
123 1 9 DG H1' 1 9 DG H4' 3.750 2.500 5.000 2.885 2.795 2.947 . 0 0 "[ . 1]" 1
124 1 10 DT H1' 1 10 DT H6 3.750 3.000 5.000 3.732 3.727 3.735 . 0 0 "[ . 1]" 1
125 1 10 DT H2' 1 10 DT H6 2.000 . 3.000 2.226 2.192 2.384 . 0 0 "[ . 1]" 1
126 1 10 DT H2'' 1 10 DT H6 3.750 2.500 5.000 3.640 3.514 3.858 . 0 0 "[ . 1]" 1
127 1 10 DT H3' 1 10 DT H6 3.750 2.500 5.000 4.048 3.900 4.131 . 0 0 "[ . 1]" 1
128 1 10 DT H1' 1 10 DT H4' 3.750 2.500 5.000 3.074 2.851 3.311 . 0 0 "[ . 1]" 1
129 1 10 DT H4' 1 10 DT H6 3.750 2.500 5.000 4.584 4.481 4.667 . 0 0 "[ . 1]" 1
130 1 10 DT H5' 1 10 DT H6 3.750 2.500 5.000 3.427 2.496 4.948 0.004 6 0 "[ . 1]" 1
131 1 10 DT H5'' 1 10 DT H6 3.750 2.500 5.000 3.765 2.818 4.282 . 0 0 "[ . 1]" 1
132 1 11 DG H1' 1 11 DG H8 3.750 2.500 5.000 3.822 3.752 3.887 . 0 0 "[ . 1]" 1
133 1 11 DG H1' 1 11 DG H2' 3.750 2.500 5.000 3.016 2.993 3.026 . 0 0 "[ . 1]" 1
134 1 11 DG H2' 1 11 DG H8 3.750 2.500 5.000 3.250 2.900 3.525 . 0 0 "[ . 1]" 1
135 1 11 DG H2' 1 12 DG H8 3.750 2.500 5.000 2.915 2.642 3.401 . 0 0 "[ . 1]" 1
136 1 11 DG H2'' 1 11 DG H8 3.750 2.500 5.000 4.599 4.453 4.771 . 0 0 "[ . 1]" 1
137 1 11 DG H2'' 1 12 DG H8 3.750 2.500 5.000 2.488 2.479 2.499 0.021 4 0 "[ . 1]" 1
138 1 11 DG H3' 1 11 DG H8 3.750 2.500 5.000 4.738 4.579 4.957 . 0 0 "[ . 1]" 1
139 1 11 DG H3' 1 12 DG H8 3.750 2.500 5.000 4.419 3.965 4.852 . 0 0 "[ . 1]" 1
140 1 11 DG H1' 1 11 DG H4' 3.750 2.500 5.000 3.312 2.853 3.607 . 0 0 "[ . 1]" 1
141 1 12 DG H1' 1 13 DG H8 3.750 2.500 5.000 3.931 3.615 4.288 . 0 0 "[ . 1]" 1
142 1 12 DG H1' 1 12 DG H2' 3.750 2.500 5.000 3.025 3.022 3.027 . 0 0 "[ . 1]" 1
143 1 12 DG H2' 1 12 DG H8 3.750 2.500 5.000 2.584 2.488 2.670 0.012 5 0 "[ . 1]" 1
144 1 12 DG H2'' 1 12 DG H8 3.750 2.500 5.000 4.086 3.939 4.180 . 0 0 "[ . 1]" 1
145 1 12 DG H2'' 1 13 DG H8 3.750 2.500 5.000 2.521 2.491 2.690 0.009 1 0 "[ . 1]" 1
146 1 12 DG H1' 1 12 DG H3' 3.750 2.500 5.000 3.838 3.828 3.849 . 0 0 "[ . 1]" 1
147 1 12 DG H1' 1 12 DG H4' 3.750 2.500 5.000 2.877 2.805 3.063 . 0 0 "[ . 1]" 1
148 1 13 DG H1' 1 13 DG H8 3.750 2.500 5.000 3.919 3.908 3.923 . 0 0 "[ . 1]" 1
149 1 13 DG H1' 1 13 DG H2' 3.750 2.500 5.000 3.023 3.021 3.026 . 0 0 "[ . 1]" 1
150 1 13 DG H2' 1 13 DG H8 3.750 2.500 5.000 2.504 2.450 2.648 0.050 4 0 "[ . 1]" 1
151 1 13 DG H2'' 1 13 DG H8 3.750 2.500 5.000 3.963 3.906 4.105 . 0 0 "[ . 1]" 1
152 1 13 DG H1' 1 13 DG H3' 3.750 2.500 5.000 3.833 3.819 3.847 . 0 0 "[ . 1]" 1
153 1 14 DT H1' 1 14 DT H6 3.750 3.000 5.000 3.731 3.703 3.736 . 0 0 "[ . 1]" 1
154 1 14 DT H2' 1 14 DT H6 2.000 . 3.000 2.242 2.190 2.653 . 0 0 "[ . 1]" 1
155 1 14 DT H2'' 1 14 DT H6 3.750 2.500 5.000 3.663 3.512 4.101 . 0 0 "[ . 1]" 1
156 1 14 DT H1' 1 14 DT H3' 3.750 2.500 5.000 3.821 3.802 3.845 . 0 0 "[ . 1]" 1
157 1 14 DT H3' 1 14 DT H6 3.750 2.500 5.000 4.061 3.952 4.259 . 0 0 "[ . 1]" 1
158 1 14 DT H1' 1 14 DT H4' 3.750 2.500 5.000 3.058 2.841 3.352 . 0 0 "[ . 1]" 1
159 1 14 DT H5' 1 14 DT H6 3.750 2.500 5.000 3.352 2.503 4.146 . 0 0 "[ . 1]" 1
160 1 14 DT H5'' 1 14 DT H6 3.750 2.500 5.000 3.875 2.353 4.477 0.147 8 0 "[ . 1]" 1
161 1 15 DG H1' 1 16 DG H8 3.750 2.500 5.000 4.179 3.744 4.486 . 0 0 "[ . 1]" 1
162 1 15 DG H1' 1 15 DG H2' 3.750 2.500 5.000 3.013 3.005 3.024 . 0 0 "[ . 1]" 1
163 1 15 DG H2' 1 15 DG H8 3.750 2.500 5.000 3.134 2.807 3.429 . 0 0 "[ . 1]" 1
164 1 15 DG H2' 1 16 DG H8 3.750 2.500 5.000 2.814 2.495 3.049 0.005 1 0 "[ . 1]" 1
165 1 15 DG H2'' 1 15 DG H8 3.750 2.500 5.000 4.499 4.268 4.651 . 0 0 "[ . 1]" 1
166 1 15 DG H1' 1 15 DG H4' 3.750 2.500 5.000 3.362 2.854 3.524 . 0 0 "[ . 1]" 1
167 1 16 DG H1' 1 17 DG H8 3.750 2.500 5.000 4.151 3.765 4.373 . 0 0 "[ . 1]" 1
168 1 16 DG H1' 1 16 DG H2' 3.750 2.500 5.000 3.024 3.022 3.027 . 0 0 "[ . 1]" 1
169 1 16 DG H2' 1 16 DG H8 2.000 . 3.000 2.452 2.341 2.538 . 0 0 "[ . 1]" 1
170 1 16 DG H2' 1 17 DG H8 3.750 2.500 5.000 3.647 3.311 3.920 . 0 0 "[ . 1]" 1
171 1 16 DG H1' 1 16 DG H2'' 2.000 . 3.000 2.388 2.330 2.410 . 0 0 "[ . 1]" 1
172 1 16 DG H2'' 1 17 DG H8 3.750 2.500 5.000 2.737 2.508 2.913 . 0 0 "[ . 1]" 1
173 1 16 DG H1' 1 16 DG H3' 3.750 2.500 5.000 3.825 3.814 3.841 . 0 0 "[ . 1]" 1
174 1 16 DG H3' 1 16 DG H4' 3.750 2.500 5.000 2.886 2.864 2.910 . 0 0 "[ . 1]" 1
175 1 16 DG H1' 1 16 DG H4' 3.750 2.500 5.000 2.906 2.848 2.971 . 0 0 "[ . 1]" 1
176 1 16 DG H1' 1 16 DG H5' 5.500 4.000 7.000 4.563 4.536 4.592 . 0 0 "[ . 1]" 1
177 1 16 DG H1' 1 16 DG H5'' 5.500 4.000 7.000 4.898 4.877 4.920 . 0 0 "[ . 1]" 1
178 1 16 DG H4' 1 16 DG H5' 3.750 2.500 5.000 2.496 2.487 2.504 0.013 10 0 "[ . 1]" 1
179 1 16 DG H4' 1 16 DG H5'' 3.750 2.500 5.000 2.456 2.447 2.464 0.053 6 0 "[ . 1]" 1
180 1 16 DG H3' 1 16 DG H5' 3.750 2.500 5.000 3.636 3.632 3.639 . 0 0 "[ . 1]" 1
181 1 16 DG H3' 1 16 DG H5'' 3.750 2.500 5.000 2.615 2.576 2.651 . 0 0 "[ . 1]" 1
182 1 17 DG H1' 1 17 DG H2' 3.750 2.500 5.000 3.025 3.020 3.028 . 0 0 "[ . 1]" 1
183 1 17 DG H2' 1 18 DT H6 3.750 2.500 5.000 3.347 2.835 3.923 . 0 0 "[ . 1]" 1
184 1 17 DG H2'' 1 17 DG H8 3.750 2.500 5.000 3.887 3.708 4.155 . 0 0 "[ . 1]" 1
185 1 17 DG H2'' 1 18 DT H6 3.750 2.500 5.000 2.504 2.473 2.582 0.027 4 0 "[ . 1]" 1
186 1 17 DG H3' 1 17 DG H8 3.750 2.500 5.000 4.282 4.155 4.385 . 0 0 "[ . 1]" 1
187 1 17 DG H3' 1 18 DT H6 3.750 2.500 5.000 4.601 3.902 5.011 0.011 10 0 "[ . 1]" 1
188 1 17 DG H1' 1 17 DG H4' 3.750 2.500 5.000 2.845 2.788 2.930 . 0 0 "[ . 1]" 1
189 1 17 DG H3' 1 17 DG H4' 3.750 2.500 5.000 2.906 2.874 2.933 . 0 0 "[ . 1]" 1
190 1 17 DG H3' 1 17 DG H5' 3.750 2.500 5.000 3.637 3.635 3.639 . 0 0 "[ . 1]" 1
191 1 17 DG H3' 1 17 DG H5'' 3.750 2.500 5.000 2.613 2.551 2.656 . 0 0 "[ . 1]" 1
192 1 17 DG H4' 1 17 DG H5' 3.750 2.500 5.000 2.483 2.470 2.498 0.030 3 0 "[ . 1]" 1
193 1 17 DG H4' 1 17 DG H5'' 3.750 2.500 5.000 2.470 2.455 2.481 0.045 9 0 "[ . 1]" 1
194 1 16 DG H8 1 17 DG H8 3.750 2.500 5.000 4.840 4.551 5.007 0.007 3 0 "[ . 1]" 1
195 1 17 DG H2' 1 18 DT C7 3.750 2.500 5.000 3.378 3.148 3.638 . 0 0 "[ . 1]" 1
196 1 17 DG H2'' 1 18 DT C7 3.750 2.500 5.000 3.868 3.293 4.254 . 0 0 "[ . 1]" 1
197 1 18 DT H1' 1 18 DT H6 3.750 3.000 5.000 3.734 3.719 3.739 . 0 0 "[ . 1]" 1
198 1 18 DT H1' 1 18 DT H3' 3.750 2.500 5.000 3.774 3.769 3.784 . 0 0 "[ . 1]" 1
199 1 18 DT H3' 1 18 DT H6 3.750 2.500 5.000 4.168 4.126 4.288 . 0 0 "[ . 1]" 1
200 1 18 DT H1' 1 18 DT H4' 3.750 2.500 5.000 3.129 3.030 3.222 . 0 0 "[ . 1]" 1
201 1 1 DT H3' 1 2 DT H6 5.500 4.000 7.000 5.722 5.033 6.051 . 0 0 "[ . 1]" 1
202 1 1 DT H1' 1 1 DT H5' 5.500 4.000 7.000 4.611 4.444 4.911 . 0 0 "[ . 1]" 1
203 1 1 DT H1' 1 1 DT H5'' 5.500 4.000 7.000 4.685 4.475 4.911 . 0 0 "[ . 1]" 1
204 1 1 DT H4' 1 1 DT H6 5.500 4.000 7.000 4.609 4.482 4.664 . 0 0 "[ . 1]" 1
205 1 1 DT H5' 1 1 DT H6 3.750 2.500 5.000 3.954 3.045 4.825 . 0 0 "[ . 1]" 1
206 1 1 DT H5'' 1 1 DT H6 3.750 2.500 5.000 4.260 3.197 4.914 . 0 0 "[ . 1]" 1
207 1 1 DT H6 1 2 DT C7 7.500 6.000 9.000 7.645 7.085 8.525 . 0 0 "[ . 1]" 1
208 1 2 DT H1' 1 3 DG H8 5.500 4.000 7.000 3.975 3.952 3.993 0.048 7 0 "[ . 1]" 1
209 1 1 DT H4' 1 2 DT H2' 7.500 6.000 9.000 7.217 6.510 7.828 . 0 0 "[ . 1]" 1
210 1 2 DT H2' 1 2 DT H4' 3.750 2.500 5.000 3.856 3.830 3.876 . 0 0 "[ . 1]" 1
211 1 2 DT H2'' 1 2 DT H4' 3.750 2.500 5.000 3.926 3.825 4.040 . 0 0 "[ . 1]" 1
212 1 2 DT H2'' 1 3 DG H8 5.500 4.000 7.000 6.249 6.117 6.357 . 0 0 "[ . 1]" 1
213 1 2 DT H1' 1 2 DT H3' 3.750 2.500 5.000 3.810 3.799 3.822 . 0 0 "[ . 1]" 1
214 1 2 DT H3' 1 2 DT H6 3.750 2.500 5.000 4.202 3.976 4.468 . 0 0 "[ . 1]" 1
215 1 2 DT H3' 1 3 DG H8 5.500 4.000 7.000 6.444 5.964 6.862 . 0 0 "[ . 1]" 1
216 1 2 DT H4' 1 2 DT H6 5.500 4.000 7.000 4.496 4.237 4.673 . 0 0 "[ . 1]" 1
217 1 3 DG H3' 1 4 DG H8 5.500 4.000 7.000 5.705 5.451 5.874 . 0 0 "[ . 1]" 1
218 1 3 DG H4' 1 3 DG H8 5.500 4.000 7.000 5.135 5.009 5.268 . 0 0 "[ . 1]" 1
219 1 4 DG H3' 1 5 DG H8 5.500 4.000 7.000 5.290 5.121 5.448 . 0 0 "[ . 1]" 1
220 1 4 DG H4' 1 4 DG H8 5.500 4.000 7.000 4.921 4.879 4.976 . 0 0 "[ . 1]" 1
221 1 4 DG H4' 1 5 DG H8 5.500 4.000 7.000 6.334 6.082 6.530 . 0 0 "[ . 1]" 1
222 1 3 DG H1' 1 4 DG H5' 3.750 2.500 5.500 2.681 2.515 2.846 . 0 0 "[ . 1]" 1
223 1 3 DG H1' 1 4 DG H5'' 3.750 2.500 5.500 4.258 4.076 4.477 . 0 0 "[ . 1]" 1
224 1 4 DG H1' 1 4 DG H5' 5.500 4.000 7.000 4.566 4.534 4.611 . 0 0 "[ . 1]" 1
225 1 4 DG H1' 1 4 DG H5'' 5.500 4.000 7.000 4.883 4.858 4.916 . 0 0 "[ . 1]" 1
226 1 4 DG H5' 1 4 DG H8 5.500 4.000 7.000 4.651 4.495 4.805 . 0 0 "[ . 1]" 1
227 1 4 DG H5'' 1 4 DG H8 5.500 4.000 7.000 5.193 5.034 5.320 . 0 0 "[ . 1]" 1
228 1 5 DG H3' 1 5 DG H8 5.500 4.000 7.000 4.337 4.263 4.379 . 0 0 "[ . 1]" 1
229 1 5 DG H4' 1 5 DG H8 5.500 4.000 7.000 4.972 4.881 5.028 . 0 0 "[ . 1]" 1
230 1 4 DG H1' 1 5 DG H5' 3.750 2.500 5.500 3.182 2.958 3.489 . 0 0 "[ . 1]" 1
231 1 4 DG H1' 1 5 DG H5'' 3.750 2.500 5.500 4.808 4.619 5.077 . 0 0 "[ . 1]" 1
232 1 5 DG H1' 1 5 DG H5' 5.500 4.000 7.000 4.588 4.558 4.620 . 0 0 "[ . 1]" 1
233 1 5 DG H1' 1 5 DG H5'' 5.500 4.000 7.000 4.900 4.878 4.925 . 0 0 "[ . 1]" 1
234 1 5 DG H5' 1 5 DG H8 5.500 4.000 7.000 4.627 4.427 4.732 . 0 0 "[ . 1]" 1
235 1 5 DG H5'' 1 5 DG H8 5.500 4.000 7.000 5.185 5.004 5.295 . 0 0 "[ . 1]" 1
236 1 6 DT H4' 1 6 DT H6 5.500 4.000 7.000 4.690 4.511 5.463 . 0 0 "[ . 1]" 1
237 1 6 DT H1' 1 6 DT H5' 5.500 4.000 7.000 4.509 4.342 4.917 . 0 0 "[ . 1]" 1
238 1 6 DT H1' 1 6 DT H5'' 5.500 4.000 7.000 4.577 4.393 4.660 . 0 0 "[ . 1]" 1
239 1 7 DG H2'' 1 7 DG H8 5.500 4.000 7.000 4.711 4.365 4.904 . 0 0 "[ . 1]" 1
240 1 7 DG H3' 1 7 DG H8 5.500 4.000 7.000 4.894 4.389 5.286 . 0 0 "[ . 1]" 1
241 1 7 DG H3' 1 8 DG H8 5.500 4.000 7.000 4.390 3.975 4.834 0.025 7 0 "[ . 1]" 1
242 1 7 DG H4' 1 7 DG H8 5.500 4.000 7.000 4.502 4.379 4.647 . 0 0 "[ . 1]" 1
243 1 7 DG H5' 1 7 DG H8 3.000 . 4.000 3.381 2.925 3.859 . 0 0 "[ . 1]" 1
244 1 7 DG H5'' 1 7 DG H8 3.000 . 4.000 3.858 3.494 4.038 0.038 10 0 "[ . 1]" 1
245 1 8 DG H1' 1 8 DG H8 3.750 2.500 5.000 3.902 3.851 3.920 . 0 0 "[ . 1]" 1
246 1 8 DG H3' 1 9 DG H8 5.500 4.000 7.000 5.202 4.608 5.454 . 0 0 "[ . 1]" 1
247 1 7 DG H1' 1 8 DG H4' 5.500 4.000 7.000 5.621 4.856 6.016 . 0 0 "[ . 1]" 1
248 1 8 DG H4' 1 8 DG H8 5.500 4.000 7.000 4.888 4.761 4.979 . 0 0 "[ . 1]" 1
249 1 7 DG H1' 1 8 DG H5' 5.500 4.000 7.000 4.063 3.195 6.188 0.805 1 4 "[+* *. -1]" 1
250 1 7 DG H1' 1 8 DG H5'' 5.500 4.000 7.000 5.194 4.794 5.485 . 0 0 "[ . 1]" 1
251 1 8 DG H1' 1 8 DG H5' 5.500 4.000 7.000 4.563 4.484 4.789 . 0 0 "[ . 1]" 1
252 1 8 DG H1' 1 8 DG H5'' 5.500 4.000 7.000 4.785 4.531 4.858 . 0 0 "[ . 1]" 1
253 1 8 DG H5' 1 8 DG H8 5.500 4.000 7.000 4.747 4.394 5.380 . 0 0 "[ . 1]" 1
254 1 8 DG H5'' 1 8 DG H8 5.500 4.000 7.000 5.055 3.910 5.423 0.090 3 0 "[ . 1]" 1
255 1 9 DG H1' 1 9 DG H8 5.500 4.000 7.000 3.925 3.915 3.934 0.085 1 0 "[ . 1]" 1
256 1 9 DG H3' 1 9 DG H8 5.500 4.000 7.000 4.397 4.322 4.539 . 0 0 "[ . 1]" 1
257 1 9 DG H4' 1 9 DG H8 5.500 4.000 7.000 4.927 4.827 5.011 . 0 0 "[ . 1]" 1
258 1 9 DG H5' 1 9 DG H8 5.500 4.000 7.000 4.557 4.338 4.695 . 0 0 "[ . 1]" 1
259 1 9 DG H5'' 1 9 DG H8 5.500 4.000 7.000 5.238 5.082 5.309 . 0 0 "[ . 1]" 1
260 1 9 DG H1' 1 9 DG H5' 5.500 4.000 7.000 4.555 4.520 4.591 . 0 0 "[ . 1]" 1
261 1 9 DG H1' 1 9 DG H5'' 5.500 4.000 7.000 4.875 4.852 4.892 . 0 0 "[ . 1]" 1
262 1 8 DG H1' 1 9 DG H5' 3.750 2.500 5.500 2.912 2.359 3.379 0.141 1 0 "[ . 1]" 1
263 1 8 DG H1' 1 9 DG H5'' 3.750 2.500 5.500 4.570 4.031 4.987 . 0 0 "[ . 1]" 1
264 1 10 DT H1' 1 10 DT H3' 3.750 2.500 5.000 3.821 3.804 3.844 . 0 0 "[ . 1]" 1
265 1 10 DT H1' 1 10 DT H5' 5.500 4.000 7.000 4.541 4.317 4.898 . 0 0 "[ . 1]" 1
266 1 10 DT H1' 1 10 DT H5'' 5.500 4.000 7.000 4.587 4.379 4.693 . 0 0 "[ . 1]" 1
267 1 11 DG H1' 1 12 DG H8 3.750 2.500 5.000 4.256 3.790 4.597 . 0 0 "[ . 1]" 1
268 1 11 DG H1' 1 11 DG H3' 3.750 2.500 5.000 3.867 3.811 3.944 . 0 0 "[ . 1]" 1
269 1 11 DG H1' 1 11 DG H5' 5.500 4.000 7.000 4.326 4.161 4.540 . 0 0 "[ . 1]" 1
270 1 11 DG H1' 1 11 DG H5'' 5.500 4.000 7.000 4.668 4.501 4.729 . 0 0 "[ . 1]" 1
271 1 11 DG H4' 1 11 DG H8 5.500 4.000 7.000 4.445 4.199 4.668 . 0 0 "[ . 1]" 1
272 1 11 DG H5' 1 11 DG H8 3.000 . 4.000 2.869 2.201 3.726 . 0 0 "[ . 1]" 1
273 1 11 DG H5'' 1 11 DG H8 3.000 . 4.000 3.471 2.876 4.030 0.030 9 0 "[ . 1]" 1
274 1 12 DG H1' 1 12 DG H8 5.500 4.000 7.000 3.926 3.922 3.929 0.078 10 0 "[ . 1]" 1
275 1 12 DG H3' 1 12 DG H8 5.500 4.000 7.000 4.313 4.257 4.375 . 0 0 "[ . 1]" 1
276 1 12 DG H3' 1 13 DG H8 5.500 4.000 7.000 5.103 4.949 5.269 . 0 0 "[ . 1]" 1
277 1 12 DG H4' 1 12 DG H8 5.500 4.000 7.000 4.923 4.869 4.973 . 0 0 "[ . 1]" 1
278 1 12 DG H1' 1 12 DG Q5' 5.500 4.000 7.000 4.179 4.151 4.248 . 0 0 "[ . 1]" 1
279 1 12 DG Q5' 1 12 DG H8 5.500 4.000 7.000 4.286 4.075 4.383 . 0 0 "[ . 1]" 1
280 1 11 DG H1' 1 12 DG Q5' 5.500 4.000 7.000 3.347 3.148 3.702 0.852 1 8 "[+-* **** *]" 1
281 1 13 DG H3' 1 13 DG H8 5.500 4.000 7.000 4.321 4.242 4.410 . 0 0 "[ . 1]" 1
282 1 13 DG H1' 1 13 DG H4' 3.750 2.500 5.000 2.943 2.856 3.003 . 0 0 "[ . 1]" 1
283 1 13 DG H4' 1 13 DG H8 5.500 4.000 7.000 4.943 4.842 4.997 . 0 0 "[ . 1]" 1
284 1 12 DG H1' 1 13 DG H5' 3.750 2.500 5.500 3.504 3.402 3.681 . 0 0 "[ . 1]" 1
285 1 12 DG H1' 1 13 DG H5'' 3.750 2.500 5.500 5.097 4.996 5.277 . 0 0 "[ . 1]" 1
286 1 13 DG H5' 1 13 DG H8 5.500 4.000 7.000 4.581 4.387 4.750 . 0 0 "[ . 1]" 1
287 1 13 DG H5'' 1 13 DG H8 5.500 4.000 7.000 5.169 5.039 5.319 . 0 0 "[ . 1]" 1
288 1 13 DG H1' 1 13 DG H5' 5.500 4.000 7.000 4.580 4.541 4.605 . 0 0 "[ . 1]" 1
289 1 13 DG H1' 1 13 DG H5'' 5.500 4.000 7.000 4.901 4.875 4.925 . 0 0 "[ . 1]" 1
290 1 14 DT H4' 1 14 DT H6 5.500 4.000 7.000 4.579 4.234 4.684 . 0 0 "[ . 1]" 1
291 1 14 DT H1' 1 14 DT H5' 5.500 4.000 7.000 4.556 4.335 4.985 . 0 0 "[ . 1]" 1
292 1 14 DT H1' 1 14 DT H5'' 5.500 4.000 7.000 4.534 4.310 4.683 . 0 0 "[ . 1]" 1
293 1 15 DG H1' 1 15 DG H8 3.750 2.500 5.000 3.847 3.778 3.899 . 0 0 "[ . 1]" 1
294 1 15 DG H1' 1 15 DG H3' 3.750 2.500 5.000 3.880 3.839 3.910 . 0 0 "[ . 1]" 1
295 1 15 DG H3' 1 15 DG H8 5.500 4.000 7.000 4.633 4.400 4.927 . 0 0 "[ . 1]" 1
296 1 15 DG H3' 1 16 DG H8 5.500 4.000 7.000 4.274 3.987 4.602 0.013 6 0 "[ . 1]" 1
297 1 15 DG H4' 1 15 DG H8 5.500 4.000 7.000 4.435 4.304 4.639 . 0 0 "[ . 1]" 1
298 1 15 DG H1' 1 15 DG H5' 5.500 4.000 7.000 4.345 4.219 4.659 . 0 0 "[ . 1]" 1
299 1 15 DG H1' 1 15 DG H5'' 5.500 4.000 7.000 4.717 4.515 5.047 . 0 0 "[ . 1]" 1
300 1 15 DG H5' 1 15 DG H8 3.000 . 4.000 2.766 2.299 3.599 . 0 0 "[ . 1]" 1
301 1 15 DG H5'' 1 15 DG H8 3.000 . 4.000 3.502 3.133 4.039 0.039 10 0 "[ . 1]" 1
302 1 16 DG H1' 1 16 DG H8 3.750 2.500 5.000 3.917 3.912 3.919 . 0 0 "[ . 1]" 1
303 1 16 DG H3' 1 16 DG H8 5.500 4.000 7.000 4.309 4.226 4.380 . 0 0 "[ . 1]" 1
304 1 16 DG H3' 1 17 DG H8 5.500 4.000 7.000 5.356 5.063 5.536 . 0 0 "[ . 1]" 1
305 1 16 DG H5' 1 16 DG H8 5.500 4.000 7.000 4.617 4.454 4.731 . 0 0 "[ . 1]" 1
306 1 16 DG H5'' 1 16 DG H8 5.500 4.000 7.000 5.263 5.147 5.378 . 0 0 "[ . 1]" 1
307 1 15 DG H1' 1 16 DG H5' 5.500 4.000 7.000 3.665 3.284 3.984 0.716 5 3 "[ + * -1]" 1
308 1 15 DG H1' 1 16 DG H5'' 5.500 4.000 7.000 5.255 4.916 5.540 . 0 0 "[ . 1]" 1
309 1 17 DG H1' 1 17 DG H8 5.500 4.000 7.000 3.928 3.925 3.930 0.075 9 0 "[ . 1]" 1
310 1 17 DG H1' 1 17 DG H3' 3.750 2.500 5.000 3.830 3.815 3.853 . 0 0 "[ . 1]" 1
311 1 17 DG H4' 1 17 DG H8 5.500 4.000 7.000 4.995 4.913 5.051 . 0 0 "[ . 1]" 1
312 1 16 DG H1' 1 17 DG H5' 3.750 2.500 5.500 3.007 2.657 3.323 . 0 0 "[ . 1]" 1
313 1 16 DG H1' 1 17 DG H5'' 3.750 2.500 5.500 4.637 4.309 4.926 . 0 0 "[ . 1]" 1
314 1 17 DG H5' 1 17 DG H8 5.500 4.000 7.000 4.741 4.555 4.854 . 0 0 "[ . 1]" 1
315 1 17 DG H5'' 1 17 DG H8 5.500 4.000 7.000 5.334 5.225 5.414 . 0 0 "[ . 1]" 1
316 1 17 DG H1' 1 18 DT C7 5.500 4.000 7.000 5.579 4.793 6.104 . 0 0 "[ . 1]" 1
317 1 17 DG H3' 1 18 DT C7 5.500 4.000 7.000 5.094 4.283 5.525 . 0 0 "[ . 1]" 1
318 1 17 DG H8 1 18 DT C7 5.500 4.000 7.000 4.188 3.989 4.666 0.011 9 0 "[ . 1]" 1
319 1 18 DT C7 1 18 DT H1' 5.500 4.000 7.000 5.833 5.822 5.836 . 0 0 "[ . 1]" 1
320 1 17 DG H1' 1 18 DT H4' 5.500 4.000 7.000 4.863 4.611 5.357 . 0 0 "[ . 1]" 1
321 1 18 DT H4' 1 18 DT H6 5.500 4.000 7.000 4.594 4.427 4.676 . 0 0 "[ . 1]" 1
322 1 17 DG H1' 1 18 DT H5'' 3.750 2.500 5.500 4.432 4.150 4.983 . 0 0 "[ . 1]" 1
323 1 17 DG H1' 1 18 DT H5' 3.750 2.500 5.500 2.788 2.594 3.357 . 0 0 "[ . 1]" 1
324 1 18 DT H5' 1 18 DT H6 5.500 3.500 7.000 3.989 3.651 4.246 . 0 0 "[ . 1]" 1
325 1 18 DT H5'' 1 18 DT H6 5.500 3.500 7.000 4.599 4.430 4.772 . 0 0 "[ . 1]" 1
326 1 17 DG H8 1 18 DT H6 5.500 4.000 7.000 5.132 4.617 5.889 . 0 0 "[ . 1]" 1
327 1 1 DT C7 1 7 DG H1' 5.500 4.000 7.000 6.123 4.737 6.926 . 0 0 "[ . 1]" 1
328 1 1 DT H4' 1 2 DT H6 5.500 4.000 7.000 5.671 4.990 6.465 . 0 0 "[ . 1]" 1
329 1 2 DT H2' 1 3 DG H8 7.500 6.000 9.000 6.356 6.087 6.659 . 0 0 "[ . 1]" 1
330 1 1 DT H1' 1 2 DT H5' 7.500 6.000 9.000 5.833 5.396 6.639 0.604 5 3 "[ + -* 1]" 1
331 1 1 DT H1' 1 2 DT H5'' 7.500 6.000 9.000 6.415 5.387 6.855 0.613 10 2 "[ - . +]" 1
332 1 2 DT H5' 1 3 DG H8 5.500 4.000 7.000 4.932 3.848 6.343 0.152 9 0 "[ . 1]" 1
333 1 2 DT H5'' 1 3 DG H8 5.500 4.000 7.000 5.939 5.025 6.696 . 0 0 "[ . 1]" 1
334 1 4 DG H1' 1 5 DG H4' 5.500 4.000 7.000 4.940 4.642 5.332 . 0 0 "[ . 1]" 1
335 1 5 DG H1' 1 6 DT H5' 7.500 6.000 9.000 6.313 5.789 6.679 0.211 2 0 "[ . 1]" 1
336 1 5 DG H1' 1 6 DT H5'' 7.500 6.000 9.000 6.423 5.784 6.699 0.216 9 0 "[ . 1]" 1
337 1 8 DG H1' 1 9 DG H4' 5.500 4.000 7.000 4.750 4.127 5.245 . 0 0 "[ . 1]" 1
338 1 9 DG H1' 1 10 DT H5' 7.500 6.000 9.000 6.246 5.202 7.310 0.798 2 2 "[-+ . 1]" 1
339 1 9 DG H1' 1 10 DT H5'' 7.500 6.000 9.000 6.553 5.548 7.039 0.452 6 0 "[ . 1]" 1
340 1 12 DG H1' 1 13 DG H4' 5.500 4.000 7.000 5.215 5.093 5.390 . 0 0 "[ . 1]" 1
341 1 13 DG H1' 1 14 DT H5' 7.500 6.000 9.000 6.269 5.642 6.699 0.358 10 0 "[ . 1]" 1
342 1 13 DG H1' 1 14 DT H5'' 7.500 6.000 9.000 6.514 6.331 6.761 . 0 0 "[ . 1]" 1
343 1 5 DG H4' 1 6 DT H3' 3.750 2.500 5.000 3.534 2.622 5.098 0.098 3 0 "[ . 1]" 1
344 1 9 DG H4' 1 10 DT H3' 3.750 2.500 5.000 3.754 2.744 5.012 0.012 8 0 "[ . 1]" 1
345 1 13 DG H4' 1 14 DT H3' 3.750 2.500 5.000 3.252 2.498 5.036 0.036 4 0 "[ . 1]" 1
346 1 5 DG H5' 1 6 DT H2' 5.500 4.000 7.000 5.742 4.212 7.393 0.393 2 0 "[ . 1]" 1
347 1 5 DG H5'' 1 6 DT H2' 5.500 4.000 7.000 5.385 4.050 6.737 . 0 0 "[ . 1]" 1
348 1 9 DG H5' 1 10 DT H2' 5.500 4.000 7.000 6.176 4.305 7.692 0.692 1 2 "[+- . 1]" 1
349 1 9 DG H5'' 1 10 DT H2' 5.500 4.000 7.000 5.442 3.928 6.701 0.072 7 0 "[ . 1]" 1
350 1 13 DG H5' 1 14 DT H2' 5.500 4.000 7.000 5.073 3.966 7.168 0.168 4 0 "[ . 1]" 1
351 1 13 DG H5'' 1 14 DT H2' 5.500 4.000 7.000 4.863 3.917 6.586 0.083 6 0 "[ . 1]" 1
352 1 1 DT H6 1 7 DG H1 4.500 2.500 6.500 6.296 5.317 6.541 0.041 9 0 "[ . 1]" 1
353 1 2 DT C7 1 11 DG H1 4.500 2.500 6.500 5.852 5.245 6.297 . 0 0 "[ . 1]" 1
354 1 3 DG H8 1 15 DG H1 4.500 2.500 6.500 4.737 4.173 5.033 . 0 0 "[ . 1]" 1
355 1 1 DT H2' 1 3 DG H1 5.750 3.500 8.000 6.418 5.857 7.041 . 0 0 "[ . 1]" 1
356 1 3 DG H1 1 4 DG H1 4.500 2.500 6.500 3.836 3.497 4.507 . 0 0 "[ . 1]" 1
357 1 4 DG H1 1 5 DG H1 4.500 2.500 6.500 3.905 3.638 4.157 . 0 0 "[ . 1]" 1
358 1 4 DG H1 1 7 DG H2' 4.500 2.500 6.500 6.078 5.604 6.556 0.056 3 0 "[ . 1]" 1
359 1 4 DG H8 1 16 DG H1 4.500 2.500 6.500 4.167 3.972 4.561 . 0 0 "[ . 1]" 1
360 1 5 DG H1 1 8 DG H2' 4.500 2.500 6.500 6.177 5.307 6.519 0.019 2 0 "[ . 1]" 1
361 1 5 DG H8 1 17 DG H1 4.500 2.500 6.500 4.843 4.086 5.403 . 0 0 "[ . 1]" 1
362 1 3 DG H1 1 7 DG H8 4.500 2.500 6.500 5.099 4.460 5.519 . 0 0 "[ . 1]" 1
363 1 7 DG H1 1 8 DG H1 4.500 2.500 6.500 4.325 3.766 4.934 . 0 0 "[ . 1]" 1
364 1 8 DG H1 1 9 DG H1 4.500 2.500 6.500 4.003 3.687 4.360 . 0 0 "[ . 1]" 1
365 1 4 DG H1 1 8 DG H8 4.500 2.500 6.500 5.016 4.741 5.344 . 0 0 "[ . 1]" 1
366 1 5 DG H1 1 9 DG H8 4.500 2.500 6.500 4.642 3.956 5.194 . 0 0 "[ . 1]" 1
367 1 7 DG H1 1 11 DG H8 4.500 2.500 6.500 4.712 4.029 5.110 . 0 0 "[ . 1]" 1
368 1 8 DG H1 1 11 DG H8 5.750 3.500 8.000 5.410 5.133 5.770 . 0 0 "[ . 1]" 1
369 1 11 DG H1 1 12 DG H1 4.500 2.500 6.500 4.220 4.008 4.520 . 0 0 "[ . 1]" 1
370 1 12 DG H1 1 15 DG H2' 4.500 2.500 6.500 5.457 5.090 5.777 . 0 0 "[ . 1]" 1
371 1 8 DG H1 1 12 DG H8 4.500 2.500 6.500 4.383 3.991 4.879 . 0 0 "[ . 1]" 1
372 1 13 DG H1 1 16 DG H2' 4.500 2.500 6.500 6.040 5.208 6.536 0.036 4 0 "[ . 1]" 1
373 1 9 DG H1 1 13 DG H8 4.500 2.500 6.500 4.908 4.089 5.588 . 0 0 "[ . 1]" 1
374 1 12 DG H1 1 16 DG H8 4.500 2.500 6.500 4.963 4.812 5.121 . 0 0 "[ . 1]" 1
375 1 3 DG H2' 1 16 DG H1 4.500 2.500 6.500 6.084 5.833 6.266 . 0 0 "[ . 1]" 1
376 1 15 DG H1 1 16 DG H1 4.500 2.500 6.500 3.951 3.673 4.311 . 0 0 "[ . 1]" 1
377 1 16 DG H1 1 17 DG H1 4.500 2.500 6.500 3.978 3.698 4.192 . 0 0 "[ . 1]" 1
378 1 13 DG H1 1 17 DG H8 4.500 2.500 6.500 4.423 3.721 5.105 . 0 0 "[ . 1]" 1
379 1 1 DT C7 1 7 DG H1 5.750 3.500 8.000 6.834 5.680 7.314 . 0 0 "[ . 1]" 1
380 1 1 DT H1' 1 3 DG H1 4.500 2.500 6.500 3.905 3.109 4.779 . 0 0 "[ . 1]" 1
381 1 1 DT H1' 1 7 DG H1 4.500 2.500 6.500 4.963 4.060 5.728 . 0 0 "[ . 1]" 1
382 1 1 DT H2'' 1 3 DG H1 5.750 3.500 8.000 5.944 4.979 6.830 . 0 0 "[ . 1]" 1
383 1 1 DT H4' 1 3 DG H1 4.500 2.500 6.500 3.592 2.947 3.960 . 0 0 "[ . 1]" 1
384 1 1 DT H5' 1 3 DG H1 4.500 2.500 6.500 5.548 4.021 6.383 . 0 0 "[ . 1]" 1
385 1 1 DT H5'' 1 3 DG H1 4.500 2.500 6.500 5.481 3.816 6.501 0.001 10 0 "[ . 1]" 1
386 1 2 DT C7 1 3 DG H1 4.500 2.500 6.500 6.517 6.373 6.582 0.082 7 0 "[ . 1]" 1
387 1 2 DT C7 1 15 DG H1 4.500 2.500 6.500 4.787 3.753 5.656 . 0 0 "[ . 1]" 1
388 1 2 DT H6 1 3 DG H1 5.750 3.500 8.000 6.337 6.134 6.616 . 0 0 "[ . 1]" 1
389 1 2 DT H6 1 15 DG H1 4.500 2.500 6.500 5.055 4.228 5.683 . 0 0 "[ . 1]" 1
390 1 3 DG H8 1 16 DG H1 5.750 3.500 8.000 5.026 4.708 5.215 . 0 0 "[ . 1]" 1
391 1 8 DG H1 1 11 DG H2' 4.500 2.500 6.500 5.141 4.619 5.721 . 0 0 "[ . 1]" 1
392 1 9 DG H1 1 12 DG H2' 4.500 2.500 6.500 6.047 5.201 6.514 0.014 9 0 "[ . 1]" 1
393 1 11 DG H1 1 15 DG H8 4.500 2.500 6.500 4.992 4.697 5.223 . 0 0 "[ . 1]" 1
394 1 12 DG H1 1 13 DG H1 4.500 2.500 6.500 3.921 3.556 4.089 . 0 0 "[ . 1]" 1
395 1 13 DG H1 1 16 DG H1 5.750 3.500 8.000 5.285 5.002 5.533 . 0 0 "[ . 1]" 1
396 1 13 DG H1 1 17 DG H1 5.750 3.500 8.000 4.568 4.401 4.653 . 0 0 "[ . 1]" 1
397 1 13 DG H1 1 18 DT C7 4.500 2.500 6.500 6.328 5.434 6.575 0.075 2 0 "[ . 1]" 1
398 1 4 DG H2' 1 17 DG H1 4.500 2.500 6.500 6.171 5.799 6.541 0.041 9 0 "[ . 1]" 1
399 1 17 DG H1 1 18 DT H1' 5.750 3.500 8.000 7.288 6.345 7.830 . 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 15
_Distance_constraint_stats_list.Viol_count 5
_Distance_constraint_stats_list.Viol_total 3.698
_Distance_constraint_stats_list.Viol_max 0.120
_Distance_constraint_stats_list.Viol_rms 0.0155
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0740
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 DG 0.000 0.000 . 0 "[ . 1]"
1 5 DG 0.000 0.000 . 0 "[ . 1]"
1 6 DT 0.018 0.018 2 0 "[ . 1]"
1 7 DG 0.018 0.018 2 0 "[ . 1]"
1 8 DG 0.000 0.000 . 0 "[ . 1]"
1 9 DG 0.000 0.000 . 0 "[ . 1]"
1 10 DT 0.120 0.120 8 0 "[ . 1]"
1 11 DG 0.120 0.120 8 0 "[ . 1]"
1 12 DG 0.000 0.000 . 0 "[ . 1]"
1 13 DG 0.000 0.000 . 0 "[ . 1]"
1 14 DT 0.232 0.105 4 0 "[ . 1]"
1 15 DG 0.232 0.105 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 6 DT H1' 1 7 DG H3' 7.500 5.000 79.500 6.278 4.982 8.015 0.018 2 0 "[ . 1]" 2
2 1 10 DT H1' 1 11 DG H3' 7.500 5.000 79.500 6.091 4.880 6.936 0.120 8 0 "[ . 1]" 2
3 1 14 DT H1' 1 15 DG H3' 7.500 5.000 79.500 6.106 4.895 7.279 0.105 4 0 "[ . 1]" 2
4 1 5 DG H1' 1 6 DT H4' 7.500 5.000 79.500 6.143 5.047 6.822 . 0 0 "[ . 1]" 2
5 1 9 DG H1' 1 10 DT H4' 7.500 5.000 79.500 6.057 5.021 6.839 . 0 0 "[ . 1]" 2
6 1 13 DG H1' 1 14 DT H4' 7.500 5.000 79.500 6.172 5.362 6.949 . 0 0 "[ . 1]" 2
7 1 5 DG H5' 1 6 DT C7 7.500 5.000 79.500 8.802 6.790 11.259 . 0 0 "[ . 1]" 2
8 1 9 DG H5' 1 10 DT C7 7.500 5.000 79.500 9.498 5.800 11.111 . 0 0 "[ . 1]" 2
9 1 13 DG H5' 1 14 DT C7 7.500 5.000 79.500 8.487 5.993 9.843 . 0 0 "[ . 1]" 2
10 1 5 DG H5'' 1 6 DT C7 7.500 5.000 79.500 8.022 6.630 10.102 . 0 0 "[ . 1]" 2
11 1 9 DG H5'' 1 10 DT C7 7.500 5.000 79.500 8.329 6.177 9.724 . 0 0 "[ . 1]" 2
12 1 13 DG H5'' 1 14 DT C7 7.500 5.000 79.500 7.692 6.238 8.952 . 0 0 "[ . 1]" 2
13 1 4 DG H1' 1 6 DT H3' 7.500 5.000 79.500 6.926 5.094 8.152 . 0 0 "[ . 1]" 2
14 1 8 DG H1' 1 10 DT H3' 7.500 5.000 79.500 7.082 5.275 7.897 . 0 0 "[ . 1]" 2
15 1 12 DG H1' 1 14 DT H3' 7.500 5.000 79.500 6.579 5.143 8.353 . 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 36
_Distance_constraint_stats_list.Viol_count 127
_Distance_constraint_stats_list.Viol_total 8.236
_Distance_constraint_stats_list.Viol_max 0.022
_Distance_constraint_stats_list.Viol_rms 0.0042
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0065
_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 0.117 0.016 8 0 "[ . 1]"
1 4 DG 0.177 0.018 9 0 "[ . 1]"
1 5 DG 0.054 0.014 10 0 "[ . 1]"
1 7 DG 0.135 0.016 8 0 "[ . 1]"
1 8 DG 0.101 0.022 6 0 "[ . 1]"
1 9 DG 0.166 0.019 2 0 "[ . 1]"
1 11 DG 0.083 0.008 9 0 "[ . 1]"
1 12 DG 0.198 0.022 6 0 "[ . 1]"
1 13 DG 0.196 0.019 2 0 "[ . 1]"
1 15 DG 0.064 0.008 9 0 "[ . 1]"
1 16 DG 0.274 0.018 9 0 "[ . 1]"
1 17 DG 0.084 0.011 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 N2 1 7 DG N7 2.900 2.800 3.000 2.859 2.803 2.891 . 0 0 "[ . 1]" 3
2 1 3 DG N1 1 7 DG O6 2.950 2.850 3.050 2.978 2.845 3.066 0.016 8 0 "[ . 1]" 3
3 1 3 DG H21 1 7 DG N7 1.990 . 2.090 1.891 1.874 1.937 0.016 8 0 "[ . 1]" 3
4 1 7 DG N2 1 11 DG N7 2.900 2.800 3.000 2.953 2.886 3.003 0.003 8 0 "[ . 1]" 3
5 1 7 DG N1 1 11 DG O6 2.950 2.850 3.050 3.029 2.910 3.056 0.006 4 0 "[ . 1]" 3
6 1 7 DG H21 1 11 DG N7 1.990 . 2.090 1.955 1.888 2.007 0.002 1 0 "[ . 1]" 3
7 1 11 DG N2 1 15 DG N7 2.900 2.800 3.000 2.941 2.862 3.004 0.004 10 0 "[ . 1]" 3
8 1 11 DG N1 1 15 DG O6 2.950 2.850 3.050 3.032 2.863 3.058 0.008 9 0 "[ . 1]" 3
9 1 11 DG H21 1 15 DG N7 1.990 . 2.090 1.947 1.885 2.023 0.005 7 0 "[ . 1]" 3
10 1 3 DG N7 1 15 DG N2 2.900 2.800 3.000 2.968 2.914 3.003 0.003 6 0 "[ . 1]" 3
11 1 3 DG O6 1 15 DG N1 2.950 2.850 3.050 2.944 2.856 3.056 0.006 8 0 "[ . 1]" 3
12 1 3 DG N7 1 15 DG H21 1.990 . 2.090 1.971 1.913 2.036 . 0 0 "[ . 1]" 3
13 1 4 DG N2 1 8 DG N7 2.900 2.800 3.000 2.944 2.890 3.004 0.004 6 0 "[ . 1]" 3
14 1 4 DG N1 1 8 DG O6 2.950 2.850 3.050 2.956 2.870 3.052 0.002 10 0 "[ . 1]" 3
15 1 4 DG H21 1 8 DG N7 1.990 . 2.090 1.948 1.887 2.010 0.003 9 0 "[ . 1]" 3
16 1 8 DG N2 1 12 DG N7 2.900 2.800 3.000 2.890 2.835 2.974 . 0 0 "[ . 1]" 3
17 1 8 DG N1 1 12 DG O6 2.950 2.850 3.050 3.036 2.926 3.067 0.017 6 0 "[ . 1]" 3
18 1 8 DG H21 1 12 DG N7 1.990 . 2.090 1.902 1.868 1.971 0.022 6 0 "[ . 1]" 3
19 1 12 DG N2 1 16 DG N7 2.900 2.800 3.000 2.904 2.869 3.002 0.002 1 0 "[ . 1]" 3
20 1 12 DG N1 1 16 DG O6 2.950 2.850 3.050 3.056 3.039 3.066 0.016 9 0 "[ . 1]" 3
21 1 12 DG H21 1 16 DG N7 1.990 . 2.090 1.908 1.878 2.012 0.012 9 0 "[ . 1]" 3
22 1 4 DG N7 1 16 DG N2 2.900 2.800 3.000 2.858 2.838 2.882 . 0 0 "[ . 1]" 3
23 1 4 DG O6 1 16 DG N1 2.950 2.850 3.050 3.055 3.017 3.068 0.018 9 0 "[ . 1]" 3
24 1 4 DG N7 1 16 DG H21 1.990 . 2.090 1.883 1.872 1.905 0.018 9 0 "[ . 1]" 3
25 1 5 DG N2 1 9 DG N7 2.900 2.800 3.000 2.939 2.897 3.007 0.007 10 0 "[ . 1]" 3
26 1 5 DG N1 1 9 DG O6 2.950 2.850 3.050 2.942 2.836 3.050 0.014 10 0 "[ . 1]" 3
27 1 5 DG H21 1 9 DG N7 1.990 . 2.090 1.953 1.892 2.039 . 0 0 "[ . 1]" 3
28 1 9 DG N2 1 13 DG N7 2.900 2.800 3.000 2.860 2.795 2.913 0.005 10 0 "[ . 1]" 3
29 1 9 DG N1 1 13 DG O6 2.950 2.850 3.050 3.059 3.052 3.069 0.019 2 0 "[ . 1]" 3
30 1 9 DG H21 1 13 DG N7 1.990 . 2.090 1.895 1.875 1.931 0.015 8 0 "[ . 1]" 3
31 1 13 DG N2 1 17 DG N7 2.900 2.800 3.000 2.877 2.802 2.938 . 0 0 "[ . 1]" 3
32 1 13 DG N1 1 17 DG O6 2.950 2.850 3.050 3.020 2.941 3.061 0.011 8 0 "[ . 1]" 3
33 1 13 DG H21 1 17 DG N7 1.990 . 2.090 1.899 1.882 1.984 0.008 8 0 "[ . 1]" 3
34 1 5 DG N7 1 17 DG N2 2.900 2.800 3.000 2.897 2.803 2.967 . 0 0 "[ . 1]" 3
35 1 5 DG O6 1 17 DG N1 2.950 2.850 3.050 3.001 2.951 3.054 0.004 8 0 "[ . 1]" 3
36 1 5 DG N7 1 17 DG H21 1.990 . 2.090 1.920 1.883 2.019 0.007 8 0 "[ . 1]" 3
stop_
save_
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