NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
487111 |
2kwg   |
16852 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kwg
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 222
_Distance_constraint_stats_list.Viol_count 48
_Distance_constraint_stats_list.Viol_total 21.162
_Distance_constraint_stats_list.Viol_max 0.076
_Distance_constraint_stats_list.Viol_rms 0.0069
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0441
_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 . 0.000 0.000 . 0 "[ . 1]"
1 2 OMG 0.000 0.000 . 0 "[ . 1]"
1 3 . 0.294 0.047 8 0 "[ . 1]"
1 4 OMU 0.294 0.047 8 0 "[ . 1]"
1 5 . 0.000 0.000 . 0 "[ . 1]"
1 6 A2M 0.000 0.000 . 0 "[ . 1]"
1 7 . 0.000 0.000 . 0 "[ . 1]"
1 8 OMU 0.000 0.000 . 0 "[ . 1]"
1 9 . 0.000 0.000 . 0 "[ . 1]"
1 10 OMC 0.000 0.000 . 0 "[ . 1]"
1 11 . 0.000 0.000 . 0 "[ . 1]"
1 12 OMU 0.000 0.000 . 0 "[ . 1]"
1 13 . 0.000 0.000 . 0 "[ . 1]"
1 14 OMC 0.000 0.000 . 0 "[ . 1]"
1 15 . 0.000 0.000 . 0 "[ . 1]"
1 16 OMU 0.000 0.000 . 0 "[ . 1]"
1 17 . 0.000 0.000 . 0 "[ . 1]"
1 18 A2M 0.000 0.000 . 0 "[ . 1]"
1 19 . 0.280 0.054 5 0 "[ . 1]"
1 20 OMU 0.280 0.054 5 0 "[ . 1]"
1 21 . 0.439 0.064 4 0 "[ . 1]"
2 1 A2M 0.000 0.000 . 0 "[ . 1]"
2 2 . 0.000 0.000 . 0 "[ . 1]"
2 3 OMG 0.000 0.000 . 0 "[ . 1]"
2 4 . 0.000 0.000 . 0 "[ . 1]"
2 5 A2M 0.000 0.000 . 0 "[ . 1]"
2 6 . 0.000 0.000 . 0 "[ . 1]"
2 7 A2M 0.000 0.000 . 0 "[ . 1]"
2 8 . 0.557 0.076 3 0 "[ . 1]"
2 9 OMU 0.557 0.076 3 0 "[ . 1]"
2 10 . 0.436 0.059 1 0 "[ . 1]"
2 11 OMU 0.436 0.059 1 0 "[ . 1]"
2 12 . 0.000 0.000 . 0 "[ . 1]"
2 13 OMU 0.000 0.000 . 0 "[ . 1]"
2 14 . 0.021 0.021 8 0 "[ . 1]"
2 15 OMU 0.000 0.000 . 0 "[ . 1]"
2 16 . 0.000 0.000 . 0 "[ . 1]"
2 17 OMC 0.000 0.000 . 0 "[ . 1]"
2 18 . 0.000 0.000 . 0 "[ . 1]"
2 19 OMC 0.000 0.000 . 0 "[ . 1]"
2 20 . 0.090 0.050 8 0 "[ . 1]"
2 21 OMU 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 . H1' 1 1 . H8 5.000 2.600 5.500 3.716 3.527 3.758 . 0 0 "[ . 1]" 1
2 1 1 . H1' 1 2 OMG H8 5.000 2.600 5.500 4.943 4.821 5.036 . 0 0 "[ . 1]" 1
3 1 1 . H1' 1 1 . H2' 3.600 . 4.100 2.723 2.688 2.737 . 0 0 "[ . 1]" 1
4 1 1 . H2' 1 1 . H8 5.000 2.600 5.500 4.183 4.103 4.526 . 0 0 "[ . 1]" 1
5 1 1 . H2' 1 2 OMG H8 3.600 . 4.100 2.529 2.327 2.942 . 0 0 "[ . 1]" 1
6 1 1 . H1' 1 1 . H3' 5.000 2.600 5.500 3.779 3.771 3.795 . 0 0 "[ . 1]" 1
7 1 1 . H3' 1 1 . H8 3.600 . 4.100 3.091 2.966 3.638 . 0 0 "[ . 1]" 1
8 1 2 OMG H1' 1 2 OMG H8 5.000 2.600 5.500 3.748 3.672 3.778 . 0 0 "[ . 1]" 1
9 1 2 OMG H1' 1 3 . H8 5.000 2.600 5.500 4.866 4.725 5.015 . 0 0 "[ . 1]" 1
10 1 3 . H1' 1 3 . H8 5.000 2.600 5.500 3.770 3.689 3.786 . 0 0 "[ . 1]" 1
11 1 3 . H1' 1 4 OMU H6 5.000 2.600 5.500 5.018 5.005 5.047 . 0 0 "[ . 1]" 1
12 1 3 . H1' 1 3 . H2' 3.600 . 4.100 2.754 2.720 2.778 . 0 0 "[ . 1]" 1
13 1 3 . H2' 1 4 OMU H6 5.000 2.600 5.500 2.611 2.553 2.868 0.047 8 0 "[ . 1]" 1
14 1 4 OMU H1' 1 4 OMU H6 5.000 2.600 5.500 3.623 3.543 3.658 . 0 0 "[ . 1]" 1
15 1 4 OMU H1' 1 5 . H8 5.000 2.600 5.500 4.903 4.867 5.018 . 0 0 "[ . 1]" 1
16 1 5 . H1' 2 16 . H2 3.600 . 4.100 3.594 3.434 3.622 . 0 0 "[ . 1]" 1
17 1 5 . H1' 1 5 . H8 5.000 2.600 5.500 3.813 3.746 3.831 . 0 0 "[ . 1]" 1
18 1 5 . H1' 1 6 A2M H8 5.000 2.600 5.500 4.891 4.822 5.023 . 0 0 "[ . 1]" 1
19 1 5 . H2 2 16 . H2 5.000 2.600 5.500 4.519 4.325 4.772 . 0 0 "[ . 1]" 1
20 1 5 . H1' 1 5 . H2' 3.600 . 4.100 2.717 2.693 2.731 . 0 0 "[ . 1]" 1
21 1 5 . H2' 1 5 . H8 6.500 3.500 7.000 3.919 3.849 4.129 . 0 0 "[ . 1]" 1
22 1 5 . H2' 1 6 A2M H8 3.600 . 4.100 2.375 2.284 2.685 . 0 0 "[ . 1]" 1
23 1 5 . H1' 1 5 . H3' 5.000 2.600 5.500 3.801 3.793 3.812 . 0 0 "[ . 1]" 1
24 1 5 . H3' 1 5 . H8 3.600 . 4.100 2.785 2.709 2.994 . 0 0 "[ . 1]" 1
25 1 5 . H2 1 6 A2M H1' 5.000 2.600 5.500 3.223 2.623 3.455 . 0 0 "[ . 1]" 1
26 1 6 A2M H1' 1 6 A2M H2 6.500 3.500 7.000 4.712 4.633 4.911 . 0 0 "[ . 1]" 1
27 1 6 A2M H1' 1 6 A2M H8 5.000 2.600 5.500 3.730 3.591 3.775 . 0 0 "[ . 1]" 1
28 1 6 A2M H1' 1 7 . H8 5.000 2.600 5.500 4.853 4.764 5.006 . 0 0 "[ . 1]" 1
29 1 6 A2M H2 1 7 . H2 6.500 3.500 7.000 5.140 4.831 5.243 . 0 0 "[ . 1]" 1
30 1 6 A2M H2 1 7 . H1' 5.000 2.600 5.500 3.692 3.150 5.003 . 0 0 "[ . 1]" 1
31 1 7 . H1' 1 7 . H2 5.000 2.600 5.500 4.641 4.443 4.692 . 0 0 "[ . 1]" 1
32 1 7 . H1' 1 7 . H8 5.000 2.600 5.500 3.789 3.756 3.919 . 0 0 "[ . 1]" 1
33 1 7 . H1' 1 8 OMU H6 5.000 2.600 5.500 4.693 3.258 5.013 . 0 0 "[ . 1]" 1
34 1 7 . H1' 1 7 . H2' 3.600 . 4.100 2.760 2.719 3.057 . 0 0 "[ . 1]" 1
35 1 7 . H2 1 8 OMU H1' 3.600 . 4.100 3.303 2.976 3.570 . 0 0 "[ . 1]" 1
36 1 8 OMU H1' 1 8 OMU H6 5.000 2.600 5.500 3.598 3.495 3.630 . 0 0 "[ . 1]" 1
37 1 8 OMU H1' 1 9 . H8 5.000 2.600 5.500 4.799 4.742 4.908 . 0 0 "[ . 1]" 1
38 1 9 . H1' 1 10 OMC H6 5.000 2.600 5.500 4.836 4.784 5.015 . 0 0 "[ . 1]" 1
39 1 9 . H1' 2 12 . H2 3.600 . 4.100 3.488 3.321 3.614 . 0 0 "[ . 1]" 1
40 1 9 . H1' 1 9 . H8 5.000 2.600 5.500 3.783 3.760 3.801 . 0 0 "[ . 1]" 1
41 1 9 . H1' 1 9 . H2' 3.600 . 4.100 2.717 2.711 2.720 . 0 0 "[ . 1]" 1
42 1 9 . H2' 1 9 . H8 5.000 2.600 5.500 4.048 3.987 4.110 . 0 0 "[ . 1]" 1
43 1 9 . H1' 1 9 . H3' 5.000 2.600 5.500 3.793 3.786 3.812 . 0 0 "[ . 1]" 1
44 1 9 . H3' 1 9 . H8 3.600 . 4.100 2.896 2.826 2.973 . 0 0 "[ . 1]" 1
45 1 10 OMC H1' 1 10 OMC H6 5.000 2.600 5.500 3.596 3.524 3.616 . 0 0 "[ . 1]" 1
46 1 10 OMC H1' 1 11 . H8 5.000 2.600 5.500 4.721 4.640 4.782 . 0 0 "[ . 1]" 1
47 1 9 . H2 1 10 OMC H1' 3.600 . 4.100 3.095 2.933 3.226 . 0 0 "[ . 1]" 1
48 1 9 . H8 1 10 OMC H5 5.000 2.600 5.500 4.761 4.521 5.014 . 0 0 "[ . 1]" 1
49 1 11 . H1' 1 11 . H2 6.500 3.500 7.000 4.701 4.670 4.726 . 0 0 "[ . 1]" 1
50 1 11 . H1' 1 11 . H8 5.000 2.600 5.500 3.752 3.741 3.769 . 0 0 "[ . 1]" 1
51 1 11 . H1' 1 12 OMU H6 5.000 2.600 5.500 4.844 4.784 4.993 . 0 0 "[ . 1]" 1
52 1 11 . H1' 1 11 . H2' 3.600 . 4.100 2.715 2.709 2.723 . 0 0 "[ . 1]" 1
53 1 11 . H2' 1 11 . H8 5.000 2.600 5.500 4.114 4.070 4.169 . 0 0 "[ . 1]" 1
54 1 11 . H1' 1 11 . H3' 5.000 2.600 5.500 3.798 3.792 3.803 . 0 0 "[ . 1]" 1
55 1 11 . H3' 1 11 . H8 3.600 . 4.100 3.010 2.934 3.101 . 0 0 "[ . 1]" 1
56 1 11 . H2 1 12 OMU H1' 3.600 . 4.100 3.096 2.951 3.268 . 0 0 "[ . 1]" 1
57 1 12 OMU H1' 1 12 OMU H6 5.000 2.600 5.500 3.598 3.527 3.623 . 0 0 "[ . 1]" 1
58 1 12 OMU H1' 1 13 . H6 5.000 2.600 5.500 4.759 4.737 4.799 . 0 0 "[ . 1]" 1
59 1 11 . H8 1 12 OMU H5 5.000 2.600 5.500 4.792 4.618 5.012 . 0 0 "[ . 1]" 1
60 1 13 . H1' 1 13 . H6 5.000 2.600 5.500 3.633 3.627 3.640 . 0 0 "[ . 1]" 1
61 1 13 . H1' 1 14 OMC H6 5.000 2.600 5.500 4.796 4.781 4.819 . 0 0 "[ . 1]" 1
62 1 13 . H1' 2 8 . H2 3.600 . 4.100 3.615 3.605 3.626 . 0 0 "[ . 1]" 1
63 1 13 . H1' 1 13 . H2' 3.600 . 4.100 2.739 2.733 2.750 . 0 0 "[ . 1]" 1
64 1 13 . H2' 1 13 . H6 5.000 2.600 5.500 3.871 3.848 3.890 . 0 0 "[ . 1]" 1
65 1 13 . H2' 1 14 OMC H6 3.600 . 4.100 2.259 2.229 2.286 . 0 0 "[ . 1]" 1
66 1 14 OMC H1' 1 14 OMC H6 5.000 2.600 5.500 3.625 3.609 3.644 . 0 0 "[ . 1]" 1
67 1 14 OMC H1' 1 15 . H6 5.000 2.600 5.500 4.830 4.768 4.949 . 0 0 "[ . 1]" 1
68 1 14 OMC H1' 2 7 A2M H2 3.600 . 4.100 3.212 3.009 3.498 . 0 0 "[ . 1]" 1
69 1 15 . H1' 1 15 . H6 5.000 2.600 5.500 3.662 3.621 3.759 . 0 0 "[ . 1]" 1
70 1 15 . H1' 1 16 OMU H6 5.000 2.600 5.500 4.478 3.002 5.013 . 0 0 "[ . 1]" 1
71 1 15 . H1' 1 15 . H2' 3.600 . 4.100 2.796 2.728 3.044 . 0 0 "[ . 1]" 1
72 1 15 . H2' 1 16 OMU H5 5.000 2.600 5.500 4.013 3.877 4.412 . 0 0 "[ . 1]" 1
73 1 14 OMC H6 1 15 . H5 6.500 3.500 7.000 4.291 4.031 4.426 . 0 0 "[ . 1]" 1
74 1 16 OMU H1' 1 16 OMU H6 5.000 2.600 5.500 3.620 3.553 3.646 . 0 0 "[ . 1]" 1
75 1 16 OMU H1' 1 17 . H6 5.000 2.600 5.500 4.980 4.918 5.014 . 0 0 "[ . 1]" 1
76 1 16 OMU H1' 2 5 A2M H2 3.600 . 4.100 3.227 3.066 3.417 . 0 0 "[ . 1]" 1
77 1 15 . H6 1 16 OMU H5 6.500 3.500 7.000 4.679 4.467 4.811 . 0 0 "[ . 1]" 1
78 1 17 . H1' 1 17 . H6 5.000 2.600 5.500 3.654 3.641 3.678 . 0 0 "[ . 1]" 1
79 1 17 . H1' 1 18 A2M H8 5.000 2.600 5.500 4.834 4.792 4.885 . 0 0 "[ . 1]" 1
80 1 17 . H1' 2 4 . H2 3.600 . 4.100 3.461 3.365 3.605 . 0 0 "[ . 1]" 1
81 1 17 . H1' 1 17 . H2' 3.600 . 4.100 2.758 2.747 2.766 . 0 0 "[ . 1]" 1
82 1 18 A2M H1' 1 18 A2M H2 6.500 3.500 7.000 4.642 4.626 4.666 . 0 0 "[ . 1]" 1
83 1 18 A2M H1' 1 18 A2M H8 5.000 2.600 5.500 3.791 3.776 3.807 . 0 0 "[ . 1]" 1
84 1 18 A2M H1' 1 19 . H6 5.000 2.600 5.500 4.972 4.913 5.016 . 0 0 "[ . 1]" 1
85 1 18 A2M H2 1 19 . H1' 3.600 . 4.100 3.573 3.324 3.618 . 0 0 "[ . 1]" 1
86 1 19 . H1' 1 19 . H6 5.000 2.600 5.500 3.673 3.664 3.685 . 0 0 "[ . 1]" 1
87 1 19 . H1' 1 20 OMU H6 5.000 2.600 5.500 5.039 5.026 5.048 . 0 0 "[ . 1]" 1
88 1 19 . H1' 1 19 . H2' 3.600 . 4.100 2.751 2.710 2.782 . 0 0 "[ . 1]" 1
89 1 19 . H2' 1 19 . H6 5.000 2.600 5.500 3.742 3.677 3.797 . 0 0 "[ . 1]" 1
90 1 19 . H2' 1 20 OMU H5 5.000 2.600 5.500 4.359 3.416 4.671 . 0 0 "[ . 1]" 1
91 1 19 . H2' 1 20 OMU H6 5.000 2.600 5.500 2.577 2.546 2.651 0.054 5 0 "[ . 1]" 1
92 1 19 . H5 1 20 OMU H5 5.000 2.600 5.500 3.402 3.071 5.005 . 0 0 "[ . 1]" 1
93 1 20 OMU H1' 1 20 OMU H6 5.000 2.600 5.500 3.618 3.456 3.704 . 0 0 "[ . 1]" 1
94 1 20 OMU H1' 1 21 . H6 5.000 2.600 5.500 4.906 4.769 5.026 . 0 0 "[ . 1]" 1
95 1 20 OMU H1' 2 1 A2M H2 3.600 . 4.100 2.618 2.465 2.854 . 0 0 "[ . 1]" 1
96 1 19 . H6 1 20 OMU H5 6.500 3.500 7.000 4.099 3.782 5.192 . 0 0 "[ . 1]" 1
97 1 21 . H1' 1 21 . H6 5.000 2.600 5.500 3.751 3.731 3.760 . 0 0 "[ . 1]" 1
98 1 21 . H1' 1 21 . H2' 3.600 . 4.100 3.044 3.041 3.054 . 0 0 "[ . 1]" 1
99 1 21 . H2' 1 21 . H6 5.000 2.600 5.500 2.568 2.536 2.717 0.064 4 0 "[ . 1]" 1
100 2 1 A2M H1' 2 1 A2M H2 5.000 2.600 5.500 4.682 4.619 4.740 . 0 0 "[ . 1]" 1
101 2 1 A2M H1' 2 1 A2M H8 6.000 2.600 6.500 3.734 3.701 3.783 . 0 0 "[ . 1]" 1
102 2 1 A2M H1' 2 2 . H6 5.000 2.600 5.500 5.029 5.008 5.056 . 0 0 "[ . 1]" 1
103 2 1 A2M H1' 2 1 A2M H2' 3.600 . 4.100 2.766 2.717 2.835 . 0 0 "[ . 1]" 1
104 2 1 A2M H2' 2 1 A2M H8 5.000 2.600 5.500 4.042 3.935 4.129 . 0 0 "[ . 1]" 1
105 2 1 A2M H2' 2 2 . H6 3.600 . 4.100 2.797 2.636 2.937 . 0 0 "[ . 1]" 1
106 2 1 A2M H2 2 2 . H1' 3.600 . 4.100 3.485 3.278 3.608 . 0 0 "[ . 1]" 1
107 2 2 . H1' 2 2 . H6 5.000 2.600 5.500 3.564 3.402 3.626 . 0 0 "[ . 1]" 1
108 2 2 . H1' 2 3 OMG H8 5.000 2.600 5.500 4.956 4.791 5.032 . 0 0 "[ . 1]" 1
109 2 2 . H1' 2 2 . H2' 3.600 . 4.100 2.723 2.679 2.746 . 0 0 "[ . 1]" 1
110 2 2 . H2' 2 2 . H6 6.500 3.500 7.000 4.091 3.897 4.422 . 0 0 "[ . 1]" 1
111 2 2 . H2' 2 3 OMG H8 3.600 . 4.100 2.584 2.310 2.772 . 0 0 "[ . 1]" 1
112 2 2 . H1' 2 2 . H3' 5.000 2.600 5.500 3.809 3.758 3.937 . 0 0 "[ . 1]" 1
113 2 1 A2M H8 2 2 . H5 5.000 2.600 5.500 4.898 4.181 5.009 . 0 0 "[ . 1]" 1
114 2 1 A2M H8 2 2 . H6 6.500 3.500 7.000 4.939 4.177 5.279 . 0 0 "[ . 1]" 1
115 1 18 A2M H2 2 3 OMG H1' 3.600 . 4.100 3.251 3.089 3.470 . 0 0 "[ . 1]" 1
116 2 3 OMG H1' 2 3 OMG H8 5.000 2.600 5.500 3.696 3.656 3.754 . 0 0 "[ . 1]" 1
117 2 3 OMG H1' 2 4 . H8 5.000 2.600 5.500 4.894 4.796 5.014 . 0 0 "[ . 1]" 1
118 2 4 . H1' 2 4 . H2 6.500 3.500 7.000 4.702 4.653 4.827 . 0 0 "[ . 1]" 1
119 2 4 . H1' 2 4 . H8 5.000 2.600 5.500 3.748 3.655 3.793 . 0 0 "[ . 1]" 1
120 2 4 . H1' 2 5 A2M H8 5.000 2.600 5.500 4.825 4.780 4.886 . 0 0 "[ . 1]" 1
121 2 4 . H1' 2 4 . H2' 3.600 . 4.100 2.699 2.683 2.712 . 0 0 "[ . 1]" 1
122 2 4 . H2 2 5 A2M H2 6.500 3.500 7.000 4.626 4.498 4.774 . 0 0 "[ . 1]" 1
123 2 4 . H1' 2 4 . H3' 5.000 2.600 5.500 3.783 3.769 3.804 . 0 0 "[ . 1]" 1
124 2 4 . H2 2 5 A2M H1' 3.600 . 4.100 3.219 2.948 3.432 . 0 0 "[ . 1]" 1
125 2 5 A2M H1' 2 5 A2M H2 6.500 3.500 7.000 4.682 4.657 4.722 . 0 0 "[ . 1]" 1
126 2 5 A2M H1' 2 5 A2M H8 5.000 2.600 5.500 3.767 3.751 3.784 . 0 0 "[ . 1]" 1
127 2 5 A2M H1' 2 6 . H8 5.000 2.600 5.500 4.781 4.725 4.853 . 0 0 "[ . 1]" 1
128 2 6 . H1' 2 6 . H8 5.000 2.600 5.500 3.769 3.751 3.787 . 0 0 "[ . 1]" 1
129 2 6 . H1' 2 7 A2M H8 5.000 2.600 5.500 4.754 4.714 4.984 . 0 0 "[ . 1]" 1
130 2 6 . H1' 2 6 . H2' 3.600 . 4.100 2.724 2.717 2.732 . 0 0 "[ . 1]" 1
131 2 6 . H2' 2 6 . H8 6.500 3.500 7.000 4.079 4.007 4.122 . 0 0 "[ . 1]" 1
132 2 6 . H1' 2 6 . H3' 5.000 2.600 5.500 3.776 3.771 3.805 . 0 0 "[ . 1]" 1
133 2 6 . H3' 2 6 . H8 3.600 . 4.100 2.902 2.848 2.951 . 0 0 "[ . 1]" 1
134 2 7 A2M H1' 2 7 A2M H2 6.500 3.500 7.000 4.735 4.716 4.820 . 0 0 "[ . 1]" 1
135 2 7 A2M H1' 2 7 A2M H8 5.000 2.600 5.500 3.735 3.682 3.751 . 0 0 "[ . 1]" 1
136 2 7 A2M H1' 2 8 . H8 5.000 2.600 5.500 4.869 4.819 5.001 . 0 0 "[ . 1]" 1
137 2 7 A2M H2 2 8 . H1' 3.600 . 4.100 3.248 3.121 3.421 . 0 0 "[ . 1]" 1
138 2 8 . H1' 2 8 . H2 6.500 3.500 7.000 4.668 4.639 4.681 . 0 0 "[ . 1]" 1
139 2 8 . H1' 2 8 . H8 5.000 2.600 5.500 3.776 3.769 3.790 . 0 0 "[ . 1]" 1
140 2 8 . H1' 2 9 OMU H6 5.000 2.600 5.500 5.020 5.002 5.040 . 0 0 "[ . 1]" 1
141 2 8 . H1' 2 8 . H2' 3.600 . 4.100 2.700 2.676 2.732 . 0 0 "[ . 1]" 1
142 2 8 . H2' 2 9 OMU H6 5.000 2.600 5.500 2.546 2.524 2.619 0.076 3 0 "[ . 1]" 1
143 2 8 . H2 2 9 OMU H1' 3.600 . 4.100 3.068 2.949 3.194 . 0 0 "[ . 1]" 1
144 2 9 OMU H1' 2 9 OMU H6 5.000 2.600 5.500 3.623 3.539 3.656 . 0 0 "[ . 1]" 1
145 2 9 OMU H1' 2 10 . H8 5.000 2.600 5.500 4.748 4.680 4.972 . 0 0 "[ . 1]" 1
146 1 11 . H2 2 10 . H1' 3.600 . 4.100 3.546 3.406 3.610 . 0 0 "[ . 1]" 1
147 2 10 . H1' 2 10 . H8 5.000 2.600 5.500 3.758 3.682 3.790 . 0 0 "[ . 1]" 1
148 2 10 . H1' 2 11 OMU H6 5.000 2.600 5.500 5.018 5.012 5.032 . 0 0 "[ . 1]" 1
149 2 10 . H1' 2 10 . H2' 3.600 . 4.100 2.716 2.703 2.745 . 0 0 "[ . 1]" 1
150 2 10 . H2' 2 11 OMU H6 5.000 2.600 5.500 2.561 2.541 2.642 0.059 1 0 "[ . 1]" 1
151 2 11 OMU H1' 2 11 OMU H6 5.000 2.600 5.500 3.611 3.537 3.635 . 0 0 "[ . 1]" 1
152 2 11 OMU H1' 2 12 . H8 5.000 2.600 5.500 4.745 4.690 4.927 . 0 0 "[ . 1]" 1
153 2 12 . H1' 2 12 . H8 5.000 2.600 5.500 3.770 3.696 3.797 . 0 0 "[ . 1]" 1
154 2 12 . H1' 2 13 OMU H6 5.000 2.600 5.500 4.825 4.771 4.914 . 0 0 "[ . 1]" 1
155 1 9 . H2 2 12 . H1' 3.600 . 4.100 3.473 3.213 3.613 . 0 0 "[ . 1]" 1
156 2 12 . H1' 2 12 . H2' 3.600 . 4.100 2.685 2.679 2.692 . 0 0 "[ . 1]" 1
157 1 7 . H2 2 12 . H2 6.500 3.500 7.000 5.534 5.343 5.872 . 0 0 "[ . 1]" 1
158 2 12 . H1' 2 12 . H3' 5.000 2.600 5.500 3.793 3.779 3.808 . 0 0 "[ . 1]" 1
159 2 12 . H3' 2 12 . H8 3.600 . 4.100 2.912 2.819 3.222 . 0 0 "[ . 1]" 1
160 2 12 . H2 2 13 OMU H1' 3.600 . 4.100 3.048 2.785 3.319 . 0 0 "[ . 1]" 1
161 2 13 OMU H1' 2 13 OMU H6 5.000 2.600 5.500 3.595 3.543 3.623 . 0 0 "[ . 1]" 1
162 2 13 OMU H1' 2 14 . H6 5.000 2.600 5.500 4.894 4.858 4.963 . 0 0 "[ . 1]" 1
163 2 14 . H1' 2 15 OMU H6 5.000 2.600 5.500 4.748 3.592 4.921 . 0 0 "[ . 1]" 1
164 1 7 . H2 2 14 . H1' 3.600 . 4.100 3.528 3.360 3.652 . 0 0 "[ . 1]" 1
165 2 14 . H1' 2 14 . H2' 3.600 . 4.100 2.777 2.737 3.066 . 0 0 "[ . 1]" 1
166 2 14 . H2' 2 14 . H6 5.000 2.600 5.500 3.658 2.579 3.828 0.021 8 0 "[ . 1]" 1
167 2 15 OMU H1' 2 15 OMU H6 5.000 2.600 5.500 3.640 3.614 3.654 . 0 0 "[ . 1]" 1
168 2 15 OMU H1' 2 16 . H8 5.000 2.600 5.500 4.838 4.788 4.930 . 0 0 "[ . 1]" 1
169 1 6 A2M H2 2 15 OMU H1' 3.600 . 4.100 3.459 3.259 3.594 . 0 0 "[ . 1]" 1
170 2 16 . H1' 2 16 . H8 5.000 2.600 5.500 3.794 3.684 3.833 . 0 0 "[ . 1]" 1
171 2 16 . H1' 2 17 OMC H6 5.000 2.600 5.500 4.798 4.741 5.015 . 0 0 "[ . 1]" 1
172 2 16 . H1' 2 16 . H2' 3.600 . 4.100 2.719 2.700 2.738 . 0 0 "[ . 1]" 1
173 2 16 . H2' 2 16 . H8 6.500 3.500 7.000 4.025 3.902 4.321 . 0 0 "[ . 1]" 1
174 2 16 . H1' 2 16 . H3' 5.000 2.600 5.500 3.789 3.780 3.806 . 0 0 "[ . 1]" 1
175 2 16 . H3' 2 16 . H8 3.600 . 4.100 2.841 2.701 3.274 . 0 0 "[ . 1]" 1
176 2 16 . H2 2 17 OMC H1' 5.000 2.600 5.500 3.536 3.202 3.965 . 0 0 "[ . 1]" 1
177 2 17 OMC H1' 2 17 OMC H6 5.000 2.600 5.500 3.617 3.514 3.647 . 0 0 "[ . 1]" 1
178 2 16 . H8 2 17 OMC H5 5.000 2.600 5.500 4.310 4.144 4.706 . 0 0 "[ . 1]" 1
179 2 18 . H1' 2 18 . H6 5.000 2.600 5.500 3.743 3.642 3.760 . 0 0 "[ . 1]" 1
180 2 18 . H1' 2 19 OMC H6 5.000 2.600 5.500 4.239 3.620 5.005 . 0 0 "[ . 1]" 1
181 2 18 . H1' 2 18 . H2' 3.600 . 4.100 3.014 2.777 3.044 . 0 0 "[ . 1]" 1
182 2 18 . H2' 2 19 OMC H5 5.000 2.600 5.500 4.225 3.913 4.420 . 0 0 "[ . 1]" 1
183 2 19 OMC H1' 2 19 OMC H6 5.000 2.600 5.500 3.734 3.720 3.758 . 0 0 "[ . 1]" 1
184 2 19 OMC H1' 2 20 . H6 5.000 2.600 5.500 4.965 4.021 5.112 . 0 0 "[ . 1]" 1
185 2 20 . H1' 2 20 . H6 5.000 2.600 5.500 3.731 3.712 3.743 . 0 0 "[ . 1]" 1
186 2 20 . H1' 2 21 OMU H6 5.000 2.600 5.500 4.939 4.508 5.049 . 0 0 "[ . 1]" 1
187 2 20 . H1' 2 20 . H2' 3.600 . 4.100 2.908 2.790 3.033 . 0 0 "[ . 1]" 1
188 2 20 . H2' 2 20 . H6 5.000 2.600 5.500 3.022 2.550 3.438 0.050 8 0 "[ . 1]" 1
189 2 20 . H2' 2 21 OMU H6 3.600 . 4.100 2.672 2.330 3.029 . 0 0 "[ . 1]" 1
190 2 21 OMU H1' 2 21 OMU H6 3.600 . 4.100 3.620 3.459 3.694 . 0 0 "[ . 1]" 1
191 2 20 . H6 2 21 OMU H6 5.000 2.600 5.500 4.805 4.312 5.017 . 0 0 "[ . 1]" 1
192 2 19 OMC H5 2 20 . H5 5.000 2.600 5.500 4.657 3.489 5.038 . 0 0 "[ . 1]" 1
193 2 17 OMC H5 2 18 . H5 5.000 2.600 5.500 3.674 3.477 3.924 . 0 0 "[ . 1]" 1
194 1 15 . H5 1 16 OMU H5 5.000 2.600 5.500 4.404 3.957 5.019 . 0 0 "[ . 1]" 1
195 1 14 OMC H5 1 15 . H5 5.000 2.600 5.500 4.017 3.754 4.165 . 0 0 "[ . 1]" 1
196 1 12 OMU H5 1 13 . H5 5.000 2.600 5.500 4.099 3.976 4.313 . 0 0 "[ . 1]" 1
197 2 13 OMU H5 2 14 . H5 5.000 2.600 5.500 4.007 3.834 4.093 . 0 0 "[ . 1]" 1
198 1 13 . H2' 1 14 OMC H5 5.000 2.600 5.500 3.985 3.902 4.072 . 0 0 "[ . 1]" 1
199 1 1 . H2' 1 2 OMG H1' 5.000 2.600 5.500 4.193 4.089 4.352 . 0 0 "[ . 1]" 1
200 2 20 . H2' 2 20 . H5 5.000 2.600 5.500 4.736 4.466 5.002 . 0 0 "[ . 1]" 1
201 1 1 . H8 1 2 OMG H8 5.000 2.600 5.500 4.960 4.800 5.008 . 0 0 "[ . 1]" 1
202 1 18 A2M H8 1 19 . H6 5.000 2.600 5.500 4.695 4.221 4.865 . 0 0 "[ . 1]" 1
203 1 17 . H6 1 18 A2M H8 5.000 2.600 5.500 4.926 4.816 5.007 . 0 0 "[ . 1]" 1
204 1 4 OMU H6 1 5 . H8 5.000 2.600 5.500 4.832 4.674 5.029 . 0 0 "[ . 1]" 1
205 1 5 . H8 1 6 A2M H8 5.000 2.600 5.500 4.982 4.812 5.023 . 0 0 "[ . 1]" 1
206 1 10 OMC H6 1 11 . H8 5.000 2.600 5.500 4.932 4.817 5.029 . 0 0 "[ . 1]" 1
207 2 16 . H8 2 17 OMC H6 5.000 2.600 5.500 4.824 4.720 5.011 . 0 0 "[ . 1]" 1
208 1 11 . H2 2 8 . H2 5.000 2.600 5.500 5.038 5.032 5.050 . 0 0 "[ . 1]" 1
209 2 7 A2M H2 2 8 . H2 5.000 2.600 5.500 5.012 5.001 5.018 . 0 0 "[ . 1]" 1
210 1 19 . H6 1 20 OMU H6 6.500 3.500 7.000 4.446 4.162 5.861 . 0 0 "[ . 1]" 1
211 1 2 OMG H8 1 3 . H8 6.500 3.500 7.000 4.793 4.605 5.051 . 0 0 "[ . 1]" 1
212 1 18 A2M H2 2 1 A2M H2 6.500 3.500 7.000 5.795 5.536 6.279 . 0 0 "[ . 1]" 1
213 2 10 . H2' 2 11 OMU H1' 5.000 2.600 5.500 4.191 4.097 4.288 . 0 0 "[ . 1]" 1
214 1 3 . H2' 1 4 OMU H1' 5.000 2.600 5.500 4.332 4.213 4.427 . 0 0 "[ . 1]" 1
215 2 2 . H2' 2 3 OMG H1' 6.500 3.500 7.000 4.152 4.080 4.266 . 0 0 "[ . 1]" 1
216 1 17 . H2' 1 18 A2M H1' 6.500 3.500 7.000 4.194 4.117 4.279 . 0 0 "[ . 1]" 1
217 2 12 . H1' 2 13 OMU H5 6.500 3.500 7.000 6.000 5.859 6.230 . 0 0 "[ . 1]" 1
218 1 11 . H1' 1 12 OMU H5 6.500 3.500 7.000 5.910 5.815 6.127 . 0 0 "[ . 1]" 1
219 1 9 . H1' 1 10 OMC H5 6.500 3.500 7.000 6.024 5.947 6.263 . 0 0 "[ . 1]" 1
220 2 18 . H1' 2 19 OMC H5 6.500 3.500 7.000 5.155 4.489 5.775 . 0 0 "[ . 1]" 1
221 2 1 A2M H1' 2 2 . H5 6.500 3.500 7.000 6.260 6.094 6.530 . 0 0 "[ . 1]" 1
222 2 10 . H1' 2 11 OMU H5 6.500 3.500 7.000 6.243 6.129 6.350 . 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 40
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 . 0.000 0.000 . 0 "[ . 1]"
1 2 OMG 0.000 0.000 . 0 "[ . 1]"
1 3 . 0.000 0.000 . 0 "[ . 1]"
1 4 OMU 0.000 0.000 . 0 "[ . 1]"
1 5 . 0.000 0.000 . 0 "[ . 1]"
1 6 A2M 0.000 0.000 . 0 "[ . 1]"
1 7 . 0.000 0.000 . 0 "[ . 1]"
1 8 OMU 0.000 0.000 . 0 "[ . 1]"
1 9 . 0.000 0.000 . 0 "[ . 1]"
1 10 OMC 0.000 0.000 . 0 "[ . 1]"
1 11 . 0.000 0.000 . 0 "[ . 1]"
1 12 OMU 0.000 0.000 . 0 "[ . 1]"
1 13 . 0.000 0.000 . 0 "[ . 1]"
1 14 OMC 0.000 0.000 . 0 "[ . 1]"
1 15 . 0.000 0.000 . 0 "[ . 1]"
1 16 OMU 0.000 0.000 . 0 "[ . 1]"
1 17 . 0.000 0.000 . 0 "[ . 1]"
2 3 OMG 0.000 0.000 . 0 "[ . 1]"
2 4 . 0.000 0.000 . 0 "[ . 1]"
2 5 A2M 0.000 0.000 . 0 "[ . 1]"
2 6 . 0.000 0.000 . 0 "[ . 1]"
2 7 A2M 0.000 0.000 . 0 "[ . 1]"
2 8 . 0.000 0.000 . 0 "[ . 1]"
2 9 OMU 0.000 0.000 . 0 "[ . 1]"
2 10 . 0.000 0.000 . 0 "[ . 1]"
2 11 OMU 0.000 0.000 . 0 "[ . 1]"
2 12 . 0.000 0.000 . 0 "[ . 1]"
2 13 OMU 0.000 0.000 . 0 "[ . 1]"
2 14 . 0.000 0.000 . 0 "[ . 1]"
2 15 OMU 0.000 0.000 . 0 "[ . 1]"
2 16 . 0.000 0.000 . 0 "[ . 1]"
2 17 OMC 0.000 0.000 . 0 "[ . 1]"
2 18 . 0.000 0.000 . 0 "[ . 1]"
2 19 OMC 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 . HN1 2 19 OMC N3 2.100 . 2.600 1.953 1.936 1.966 . 0 0 "[ . 1]" 2
2 1 1 . HN2 2 19 OMC O2 2.100 . 2.600 1.829 1.803 1.846 . 0 0 "[ . 1]" 2
3 1 1 . O6 2 19 OMC HN41 2.100 . 2.600 1.884 1.851 1.900 . 0 0 "[ . 1]" 2
4 1 2 OMG HN1 2 18 . N3 2.100 . 2.600 1.929 1.924 1.938 . 0 0 "[ . 1]" 2
5 1 2 OMG HN21 2 18 . O2 2.100 . 2.600 1.803 1.782 1.825 . 0 0 "[ . 1]" 2
6 1 2 OMG O6 2 18 . HN4 2.100 . 2.600 1.879 1.849 1.910 . 0 0 "[ . 1]" 2
7 1 3 . HN1 2 17 OMC N3 2.100 . 2.600 1.930 1.916 1.937 . 0 0 "[ . 1]" 2
8 1 3 . HN2 2 17 OMC O2 2.100 . 2.600 1.778 1.766 1.794 . 0 0 "[ . 1]" 2
9 1 3 . O6 2 17 OMC HN41 2.100 . 2.600 1.936 1.905 1.971 . 0 0 "[ . 1]" 2
10 1 4 OMU HN3 2 16 . N1 2.100 . 2.600 1.889 1.876 1.910 . 0 0 "[ . 1]" 2
11 1 4 OMU O4 2 16 . HN6A 2.100 . 2.600 1.938 1.905 1.973 . 0 0 "[ . 1]" 2
12 1 5 . N1 2 15 OMU HN3 2.100 . 2.600 1.904 1.864 1.925 . 0 0 "[ . 1]" 2
13 1 5 . HN6A 2 15 OMU O4 2.100 . 2.600 1.956 1.919 1.994 . 0 0 "[ . 1]" 2
14 1 6 A2M N1 2 14 . HN3 2.100 . 2.600 1.911 1.890 1.928 . 0 0 "[ . 1]" 2
15 1 6 A2M H61 2 14 . O4 2.100 . 2.600 1.907 1.887 1.951 . 0 0 "[ . 1]" 2
16 1 7 . N1 2 13 OMU HN3 2.100 . 2.600 1.907 1.880 1.943 . 0 0 "[ . 1]" 2
17 1 7 . HN6A 2 13 OMU O4 2.100 . 2.600 1.906 1.886 1.943 . 0 0 "[ . 1]" 2
18 1 8 OMU HN3 2 12 . N1 2.100 . 2.600 1.910 1.882 1.921 . 0 0 "[ . 1]" 2
19 1 8 OMU O4 2 12 . HN6A 2.100 . 2.600 1.906 1.890 1.917 . 0 0 "[ . 1]" 2
20 1 9 . N1 2 11 OMU HN3 2.100 . 2.600 1.901 1.890 1.909 . 0 0 "[ . 1]" 2
21 1 9 . HN6A 2 11 OMU O4 2.100 . 2.600 1.918 1.908 1.953 . 0 0 "[ . 1]" 2
22 1 10 OMC N3 2 10 . HN1 2.100 . 2.600 1.919 1.915 1.924 . 0 0 "[ . 1]" 2
23 1 10 OMC O2 2 10 . HN2 2.100 . 2.600 1.807 1.791 1.816 . 0 0 "[ . 1]" 2
24 1 10 OMC HN41 2 10 . O6 2.100 . 2.600 1.869 1.854 1.888 . 0 0 "[ . 1]" 2
25 1 11 . N1 2 9 OMU HN3 2.100 . 2.600 1.887 1.880 1.907 . 0 0 "[ . 1]" 2
26 1 11 . HN6A 2 9 OMU O4 2.100 . 2.600 1.941 1.908 1.958 . 0 0 "[ . 1]" 2
27 1 12 OMU HN3 2 8 . N1 2.100 . 2.600 1.897 1.892 1.906 . 0 0 "[ . 1]" 2
28 1 12 OMU O4 2 8 . HN6A 2.100 . 2.600 1.944 1.923 1.969 . 0 0 "[ . 1]" 2
29 1 13 . HN3 2 7 A2M N1 2.100 . 2.600 1.892 1.878 1.905 . 0 0 "[ . 1]" 2
30 1 13 . O4 2 7 A2M H61 2.100 . 2.600 1.909 1.887 1.925 . 0 0 "[ . 1]" 2
31 1 14 OMC N3 2 6 . HN1 2.100 . 2.600 1.927 1.921 1.932 . 0 0 "[ . 1]" 2
32 1 14 OMC O2 2 6 . HN2 2.100 . 2.600 1.792 1.782 1.800 . 0 0 "[ . 1]" 2
33 1 14 OMC HN41 2 6 . O6 2.100 . 2.600 1.901 1.885 1.923 . 0 0 "[ . 1]" 2
34 1 15 . HN3 2 5 A2M N1 2.100 . 2.600 1.916 1.886 1.965 . 0 0 "[ . 1]" 2
35 1 15 . O4 2 5 A2M H61 2.100 . 2.600 1.883 1.849 1.929 . 0 0 "[ . 1]" 2
36 1 16 OMU HN3 2 4 . N1 2.100 . 2.600 1.914 1.884 1.933 . 0 0 "[ . 1]" 2
37 1 16 OMU O4 2 4 . HN6A 2.100 . 2.600 1.903 1.877 1.931 . 0 0 "[ . 1]" 2
38 1 17 . N3 2 3 OMG HN1 2.100 . 2.600 1.922 1.916 1.931 . 0 0 "[ . 1]" 2
39 1 17 . O2 2 3 OMG HN21 2.100 . 2.600 1.813 1.799 1.833 . 0 0 "[ . 1]" 2
40 1 17 . HN4 2 3 OMG O6 2.100 . 2.600 1.865 1.851 1.879 . 0 0 "[ . 1]" 2
stop_
save_
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