NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
540352 |
2lor   |
18222 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lor
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 82
_Distance_constraint_stats_list.Viol_count 16
_Distance_constraint_stats_list.Viol_total 1.700
_Distance_constraint_stats_list.Viol_max 0.016
_Distance_constraint_stats_list.Viol_rms 0.0007
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0053
_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 4 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.008 0.007 8 0 "[ . 1 . 2]"
1 20 LEU 0.008 0.007 8 0 "[ . 1 . 2]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 PHE 0.075 0.016 15 0 "[ . 1 . 2]"
1 37 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PHE 0.075 0.016 15 0 "[ . 1 . 2]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 THR 0.001 0.001 20 0 "[ . 1 . 2]"
1 96 GLY 0.001 0.001 20 0 "[ . 1 . 2]"
1 97 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 LYS 0.000 0.000 7 0 "[ . 1 . 2]"
1 101 ASP 0.000 0.000 7 0 "[ . 1 . 2]"
1 102 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 SER 0.000 0.000 12 0 "[ . 1 . 2]"
1 104 THR 0.000 0.000 12 0 "[ . 1 . 2]"
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 4 LEU H 1 5 GLY H . . 4.000 3.244 2.279 3.998 . 0 0 "[ . 1 . 2]" 1
2 1 6 LEU H 1 7 SER H . . 4.000 2.479 2.239 2.745 . 0 0 "[ . 1 . 2]" 1
3 1 7 SER H 1 8 ARG H . . 4.000 2.643 2.540 2.746 . 0 0 "[ . 1 . 2]" 1
4 1 8 ARG H 1 9 VAL H . . 4.000 2.690 2.529 2.789 . 0 0 "[ . 1 . 2]" 1
5 1 9 VAL H 1 10 ASP H . . 4.000 2.574 2.426 2.688 . 0 0 "[ . 1 . 2]" 1
6 1 10 ASP H 1 11 ASP H . . 4.000 2.582 2.490 2.640 . 0 0 "[ . 1 . 2]" 1
7 1 11 ASP H 1 12 ALA H . . 4.000 2.569 2.367 2.754 . 0 0 "[ . 1 . 2]" 1
8 1 12 ALA H 1 13 VAL H . . 4.000 2.766 2.611 2.904 . 0 0 "[ . 1 . 2]" 1
9 1 13 VAL H 1 14 ALA H . . 4.000 2.617 2.490 2.778 . 0 0 "[ . 1 . 2]" 1
10 1 14 ALA H 1 15 ALA H . . 4.000 2.682 2.596 2.771 . 0 0 "[ . 1 . 2]" 1
11 1 15 ALA H 1 16 LYS H . . 4.000 2.524 2.432 2.602 . 0 0 "[ . 1 . 2]" 1
12 1 16 LYS H 1 17 HIS H . . 4.000 2.269 2.108 2.350 . 0 0 "[ . 1 . 2]" 1
13 1 19 GLY H 1 20 LEU H . . 4.000 3.172 2.003 4.007 0.007 8 0 "[ . 1 . 2]" 1
14 1 20 LEU H 1 21 GLY H . . 4.000 2.621 2.305 2.903 . 0 0 "[ . 1 . 2]" 1
15 1 21 GLY H 1 22 GLU H . . 4.000 2.744 2.546 2.852 . 0 0 "[ . 1 . 2]" 1
16 1 22 GLU H 1 23 TYR H . . 4.000 2.688 2.602 2.785 . 0 0 "[ . 1 . 2]" 1
17 1 23 TYR H 1 24 ALA H . . 4.000 2.674 2.580 2.830 . 0 0 "[ . 1 . 2]" 1
18 1 24 ALA H 1 25 ALA H . . 4.000 2.674 2.494 2.851 . 0 0 "[ . 1 . 2]" 1
19 1 25 ALA H 1 26 CYS H . . 4.000 2.661 2.546 2.798 . 0 0 "[ . 1 . 2]" 1
20 1 26 CYS H 1 27 GLN H . . 4.000 2.536 2.460 2.582 . 0 0 "[ . 1 . 2]" 1
21 1 27 GLN H 1 28 SER H . . 4.000 2.638 2.425 2.753 . 0 0 "[ . 1 . 2]" 1
22 1 28 SER H 1 29 HIS H . . 4.000 2.646 2.528 2.762 . 0 0 "[ . 1 . 2]" 1
23 1 30 ALA H 1 31 PHE H . . 4.000 2.764 2.627 2.846 . 0 0 "[ . 1 . 2]" 1
24 1 31 PHE H 1 32 MET H . . 4.000 2.725 2.517 2.899 . 0 0 "[ . 1 . 2]" 1
25 1 32 MET H 1 33 LYS H . . 4.000 2.712 2.587 2.832 . 0 0 "[ . 1 . 2]" 1
26 1 33 LYS H 1 34 GLY H . . 4.000 2.644 2.547 2.817 . 0 0 "[ . 1 . 2]" 1
27 1 34 GLY H 1 35 VAL H . . 4.000 2.805 2.676 2.903 . 0 0 "[ . 1 . 2]" 1
28 1 35 VAL H 1 36 PHE H . . 4.000 2.620 2.509 2.716 . 0 0 "[ . 1 . 2]" 1
29 1 36 PHE H 1 37 THR H . . 4.000 2.739 2.619 2.874 . 0 0 "[ . 1 . 2]" 1
30 1 36 PHE H 1 38 PHE H . . 4.000 3.977 3.872 4.016 0.016 15 0 "[ . 1 . 2]" 1
31 1 37 THR H 1 38 PHE H . . 4.000 2.596 2.524 2.701 . 0 0 "[ . 1 . 2]" 1
32 1 38 PHE H 1 39 VAL H . . 4.000 2.687 2.506 2.842 . 0 0 "[ . 1 . 2]" 1
33 1 39 VAL H 1 40 THR H . . 4.000 2.604 2.444 2.776 . 0 0 "[ . 1 . 2]" 1
34 1 42 THR H 1 43 GLY H . . 4.000 2.826 2.233 3.877 . 0 0 "[ . 1 . 2]" 1
35 1 43 GLY H 1 44 MET H . . 4.000 2.565 2.511 2.796 . 0 0 "[ . 1 . 2]" 1
36 1 44 MET H 1 45 ALA H . . 4.000 2.974 2.776 3.102 . 0 0 "[ . 1 . 2]" 1
37 1 45 ALA H 1 46 PHE H . . 4.000 2.824 2.627 2.894 . 0 0 "[ . 1 . 2]" 1
38 1 46 PHE H 1 47 GLY H . . 4.000 2.691 2.625 2.771 . 0 0 "[ . 1 . 2]" 1
39 1 48 LEU H 1 49 GLN H . . 4.000 2.704 2.623 2.767 . 0 0 "[ . 1 . 2]" 1
40 1 49 GLN H 1 50 MET H . . 4.000 2.696 2.570 2.822 . 0 0 "[ . 1 . 2]" 1
41 1 51 PHE H 1 52 ILE H . . 4.000 2.723 2.606 2.804 . 0 0 "[ . 1 . 2]" 1
42 1 52 ILE H 1 53 GLN H . . 4.000 2.500 2.434 2.651 . 0 0 "[ . 1 . 2]" 1
43 1 53 GLN H 1 54 ARG H . . 4.000 2.493 2.371 2.637 . 0 0 "[ . 1 . 2]" 1
44 1 54 ARG H 1 55 LYS H . . 4.000 2.631 2.596 2.699 . 0 0 "[ . 1 . 2]" 1
45 1 55 LYS H 1 56 PHE H . . 4.000 2.413 2.023 2.597 . 0 0 "[ . 1 . 2]" 1
46 1 62 TRP H 1 63 SER H . . 4.000 2.591 2.474 2.750 . 0 0 "[ . 1 . 2]" 1
47 1 63 SER H 1 64 LEU H . . 4.000 2.622 2.515 2.751 . 0 0 "[ . 1 . 2]" 1
48 1 64 LEU H 1 65 LEU H . . 4.000 2.510 2.436 2.670 . 0 0 "[ . 1 . 2]" 1
49 1 65 LEU H 1 66 VAL H . . 4.000 2.592 2.551 2.651 . 0 0 "[ . 1 . 2]" 1
50 1 67 ALA H 1 68 VAL H . . 4.000 2.453 2.443 2.497 . 0 0 "[ . 1 . 2]" 1
51 1 66 VAL H 1 67 ALA H . . 4.000 2.471 2.460 2.483 . 0 0 "[ . 1 . 2]" 1
52 1 68 VAL H 1 69 VAL H . . 4.000 2.542 2.507 2.604 . 0 0 "[ . 1 . 2]" 1
53 1 69 VAL H 1 70 ALA H . . 4.000 2.721 2.689 2.779 . 0 0 "[ . 1 . 2]" 1
54 1 70 ALA H 1 71 GLY H . . 4.000 2.536 2.497 2.608 . 0 0 "[ . 1 . 2]" 1
55 1 71 GLY H 1 72 SER H . . 4.000 2.602 2.549 2.712 . 0 0 "[ . 1 . 2]" 1
56 1 79 THR H 1 80 ARG H . . 4.000 2.498 2.457 2.568 . 0 0 "[ . 1 . 2]" 1
57 1 72 SER H 1 73 VAL H . . 4.000 2.646 2.618 2.719 . 0 0 "[ . 1 . 2]" 1
58 1 78 VAL H 1 79 THR H . . 4.000 2.539 2.433 2.636 . 0 0 "[ . 1 . 2]" 1
59 1 76 TYR H 1 77 GLY H . . 4.000 2.737 2.690 2.811 . 0 0 "[ . 1 . 2]" 1
60 1 80 ARG H 1 81 VAL H . . 4.000 2.551 2.491 2.590 . 0 0 "[ . 1 . 2]" 1
61 1 81 VAL H 1 82 GLU H . . 4.000 2.538 2.408 2.638 . 0 0 "[ . 1 . 2]" 1
62 1 82 GLU H 1 83 SER H . . 4.000 2.543 2.440 2.663 . 0 0 "[ . 1 . 2]" 1
63 1 83 SER H 1 84 GLU H . . 4.000 2.636 2.480 2.774 . 0 0 "[ . 1 . 2]" 1
64 1 85 LYS H 1 86 CYS H . . 4.000 2.542 2.436 2.647 . 0 0 "[ . 1 . 2]" 1
65 1 84 GLU H 1 85 LYS H . . 4.000 2.721 2.597 2.794 . 0 0 "[ . 1 . 2]" 1
66 1 86 CYS H 1 87 ASN H . . 4.000 2.577 2.464 2.678 . 0 0 "[ . 1 . 2]" 1
67 1 87 ASN H 1 88 ASN H . . 4.000 2.681 2.592 2.790 . 0 0 "[ . 1 . 2]" 1
68 1 88 ASN H 1 89 LEU H . . 4.000 2.681 2.562 2.757 . 0 0 "[ . 1 . 2]" 1
69 1 89 LEU H 1 90 TRP H . . 4.000 2.656 2.453 2.755 . 0 0 "[ . 1 . 2]" 1
70 1 90 TRP H 1 91 LEU H . . 4.000 2.629 2.501 2.705 . 0 0 "[ . 1 . 2]" 1
71 1 91 LEU H 1 92 PHE H . . 4.000 2.694 2.587 2.789 . 0 0 "[ . 1 . 2]" 1
72 1 92 PHE H 1 93 LEU H . . 4.000 2.684 2.477 2.820 . 0 0 "[ . 1 . 2]" 1
73 1 93 LEU H 1 94 GLU H . . 4.000 2.675 2.487 2.791 . 0 0 "[ . 1 . 2]" 1
74 1 94 GLU H 1 95 THR H . . 4.000 2.627 2.379 2.785 . 0 0 "[ . 1 . 2]" 1
75 1 95 THR H 1 96 GLY H . . 4.000 2.280 1.999 2.679 0.001 20 0 "[ . 1 . 2]" 1
76 1 96 GLY H 1 97 GLN H . . 4.000 2.308 2.069 2.611 . 0 0 "[ . 1 . 2]" 1
77 1 100 LYS H 1 101 ASP H . 2.750 4.750 3.530 2.750 4.594 0.000 7 0 "[ . 1 . 2]" 1
78 1 101 ASP H 1 102 ARG H . 2.750 4.750 4.370 4.051 4.673 . 0 0 "[ . 1 . 2]" 1
79 1 102 ARG H 1 103 SER H . 2.750 4.750 4.142 3.522 4.503 . 0 0 "[ . 1 . 2]" 1
80 1 103 SER H 1 104 THR H . 2.750 4.750 4.056 2.750 4.611 0.000 12 0 "[ . 1 . 2]" 1
81 1 34 GLY H 1 36 PHE H . 3.500 5.500 3.969 3.790 4.275 . 0 0 "[ . 1 . 2]" 1
82 1 97 GLN H 1 98 LEU H . 3.500 5.500 4.331 3.680 4.673 . 0 0 "[ . 1 . 2]" 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 158
_Distance_constraint_stats_list.Viol_count 97
_Distance_constraint_stats_list.Viol_total 17.649
_Distance_constraint_stats_list.Viol_max 0.049
_Distance_constraint_stats_list.Viol_rms 0.0023
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0091
_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 15 ALA 0.001 0.001 12 0 "[ . 1 . 2]"
1 16 LYS 0.002 0.002 19 0 "[ . 1 . 2]"
1 17 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.046 0.010 19 0 "[ . 1 . 2]"
1 20 LEU 0.006 0.003 11 0 "[ . 1 . 2]"
1 21 GLY 0.001 0.001 14 0 "[ . 1 . 2]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 0.014 0.008 15 0 "[ . 1 . 2]"
1 27 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 MET 0.064 0.018 14 0 "[ . 1 . 2]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 VAL 0.009 0.009 15 0 "[ . 1 . 2]"
1 40 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLY 0.054 0.026 20 0 "[ . 1 . 2]"
1 42 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLN 0.095 0.026 20 0 "[ . 1 . 2]"
1 50 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 PHE 0.134 0.019 18 0 "[ . 1 . 2]"
1 58 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 0.055 0.015 14 0 "[ . 1 . 2]"
1 61 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 VAL 0.442 0.049 8 0 "[ . 1 . 2]"
1 67 ALA 0.003 0.003 10 0 "[ . 1 . 2]"
1 68 VAL 0.008 0.007 15 0 "[ . 1 . 2]"
1 69 VAL 0.124 0.019 18 0 "[ . 1 . 2]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 SER 0.145 0.018 14 0 "[ . 1 . 2]"
1 76 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 CYS 0.494 0.049 8 0 "[ . 1 . 2]"
1 87 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 LEU 0.049 0.016 16 0 "[ . 1 . 2]"
1 94 GLU 0.003 0.003 11 0 "[ . 1 . 2]"
1 95 THR 0.017 0.008 15 0 "[ . 1 . 2]"
1 96 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 SER 0.000 0.000 9 0 "[ . 1 . 2]"
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 15 ALA H 1 26 CYS CB . . 15.100 13.531 9.986 15.101 0.001 12 0 "[ . 1 . 2]" 2
2 1 16 LYS H 1 26 CYS CB . . 15.100 13.959 11.447 15.102 0.002 19 0 "[ . 1 . 2]" 2
3 1 17 HIS H 1 26 CYS CB . . 15.100 12.995 11.006 14.610 . 0 0 "[ . 1 . 2]" 2
4 1 19 GLY H 1 26 CYS CB . . 15.100 9.655 8.264 11.506 . 0 0 "[ . 1 . 2]" 2
5 1 20 LEU H 1 26 CYS CB . . 15.100 10.550 9.830 11.471 . 0 0 "[ . 1 . 2]" 2
6 1 21 GLY H 1 26 CYS CB . . 15.100 9.637 9.213 10.127 . 0 0 "[ . 1 . 2]" 2
7 1 22 GLU H 1 26 CYS CB . . 15.100 7.522 6.929 7.954 . 0 0 "[ . 1 . 2]" 2
8 1 23 TYR H 1 26 CYS CB . . 15.100 5.838 5.394 6.219 . 0 0 "[ . 1 . 2]" 2
9 1 24 ALA H 1 26 CYS CB . . 15.100 5.976 5.615 6.351 . 0 0 "[ . 1 . 2]" 2
10 1 25 ALA H 1 26 CYS CB . . 15.100 5.128 5.000 5.258 . 0 0 "[ . 1 . 2]" 2
11 1 26 CYS CB 1 27 GLN H . . 15.100 3.366 3.360 3.407 . 0 0 "[ . 1 . 2]" 2
12 1 26 CYS CB 1 28 SER H . . 15.100 5.523 5.113 5.741 . 0 0 "[ . 1 . 2]" 2
13 1 26 CYS CB 1 29 HIS H . . 15.100 5.107 4.976 5.247 . 0 0 "[ . 1 . 2]" 2
14 1 26 CYS CB 1 30 ALA H . . 15.100 5.097 4.995 5.149 . 0 0 "[ . 1 . 2]" 2
15 1 26 CYS CB 1 31 PHE H . . 15.100 7.459 7.124 7.649 . 0 0 "[ . 1 . 2]" 2
16 1 26 CYS CB 1 32 MET H . . 15.100 9.030 8.801 9.263 . 0 0 "[ . 1 . 2]" 2
17 1 26 CYS CB 1 33 LYS H . . 15.100 9.614 9.376 10.011 . 0 0 "[ . 1 . 2]" 2
18 1 26 CYS CB 1 34 GLY H . . 15.100 10.956 10.715 11.118 . 0 0 "[ . 1 . 2]" 2
19 1 26 CYS CB 1 35 VAL H . . 15.100 13.005 12.634 13.327 . 0 0 "[ . 1 . 2]" 2
20 1 26 CYS CB 1 36 PHE H . . 15.100 14.065 13.796 14.382 . 0 0 "[ . 1 . 2]" 2
21 1 26 CYS CB 1 37 THR H . 4.200 19.700 15.260 14.856 15.663 . 0 0 "[ . 1 . 2]" 2
22 1 26 CYS CB 1 38 PHE H . 7.200 23.500 16.948 16.728 17.196 . 0 0 "[ . 1 . 2]" 2
23 1 26 CYS CB 1 39 VAL H . 7.200 23.500 18.578 18.245 18.824 . 0 0 "[ . 1 . 2]" 2
24 1 26 CYS CB 1 40 THR H . 7.200 23.500 19.660 19.200 20.314 . 0 0 "[ . 1 . 2]" 2
25 1 26 CYS CB 1 41 GLY H . 10.200 27.200 21.742 21.321 22.502 . 0 0 "[ . 1 . 2]" 2
26 1 26 CYS CB 1 90 TRP H . 5.200 20.300 11.788 7.818 13.470 . 0 0 "[ . 1 . 2]" 2
27 1 26 CYS CB 1 91 LEU H . 5.200 20.300 13.141 9.964 15.400 . 0 0 "[ . 1 . 2]" 2
28 1 26 CYS CB 1 93 LEU H . 5.200 15.500 12.067 8.304 14.452 . 0 0 "[ . 1 . 2]" 2
29 1 26 CYS CB 1 94 GLU H . 5.200 15.500 12.530 9.311 15.503 0.003 11 0 "[ . 1 . 2]" 2
30 1 26 CYS CB 1 95 THR H . 5.200 15.500 14.278 11.814 15.508 0.008 15 0 "[ . 1 . 2]" 2
31 1 35 VAL H 1 49 GLN CB . 10.200 27.200 23.060 22.513 24.303 . 0 0 "[ . 1 . 2]" 2
32 1 36 PHE H 1 49 GLN CB . 10.200 27.200 21.344 20.930 22.255 . 0 0 "[ . 1 . 2]" 2
33 1 37 THR H 1 49 GLN CB . 7.200 23.500 20.505 20.072 21.352 . 0 0 "[ . 1 . 2]" 2
34 1 38 PHE H 1 49 GLN CB . 7.200 23.500 19.484 19.008 20.478 . 0 0 "[ . 1 . 2]" 2
35 1 39 VAL H 1 49 GLN CB . 4.200 19.700 17.540 16.840 19.709 0.009 15 0 "[ . 1 . 2]" 2
36 1 40 THR H 1 49 GLN CB . 4.200 19.700 16.167 15.748 17.413 . 0 0 "[ . 1 . 2]" 2
37 1 41 GLY H 1 49 GLN CB . . 15.100 15.026 14.796 15.126 0.026 20 0 "[ . 1 . 2]" 2
38 1 42 THR H 1 49 GLN CB . . 15.100 12.757 12.290 13.914 . 0 0 "[ . 1 . 2]" 2
39 1 43 GLY H 1 49 GLN CB . . 15.100 11.246 11.017 11.633 . 0 0 "[ . 1 . 2]" 2
40 1 44 MET H 1 49 GLN CB . . 15.100 9.960 9.695 10.243 . 0 0 "[ . 1 . 2]" 2
41 1 46 PHE H 1 49 GLN CB . . 15.100 5.961 5.591 6.259 . 0 0 "[ . 1 . 2]" 2
42 1 47 GLY H 1 49 GLN CB . . 15.100 5.975 5.750 6.248 . 0 0 "[ . 1 . 2]" 2
43 1 48 LEU H 1 49 GLN CB . . 15.100 5.134 5.063 5.222 . 0 0 "[ . 1 . 2]" 2
44 1 49 GLN CB 1 50 MET H . . 15.100 3.219 3.046 3.326 . 0 0 "[ . 1 . 2]" 2
45 1 49 GLN CB 1 52 ILE H . . 15.100 5.204 5.079 5.296 . 0 0 "[ . 1 . 2]" 2
46 1 49 GLN CB 1 53 GLN H . . 15.100 5.120 4.827 5.358 . 0 0 "[ . 1 . 2]" 2
47 1 49 GLN CB 1 54 ARG H . . 15.100 7.366 6.979 7.598 . 0 0 "[ . 1 . 2]" 2
48 1 49 GLN CB 1 55 LYS H . . 15.100 9.178 8.878 9.470 . 0 0 "[ . 1 . 2]" 2
49 1 49 GLN CB 1 58 TYR H . . 15.100 13.445 10.816 14.500 . 0 0 "[ . 1 . 2]" 2
50 1 49 GLN CB 1 60 LEU H . . 15.100 13.485 8.144 15.115 0.015 14 0 "[ . 1 . 2]" 2
51 1 49 GLN CB 1 61 GLN H . . 15.100 10.290 5.801 14.427 . 0 0 "[ . 1 . 2]" 2
52 1 49 GLN CB 1 62 TRP H . . 15.100 9.476 7.235 13.393 . 0 0 "[ . 1 . 2]" 2
53 1 49 GLN CB 1 63 SER H . . 15.100 8.249 5.750 14.498 . 0 0 "[ . 1 . 2]" 2
54 1 49 GLN CB 1 64 LEU H . . 15.100 8.393 4.659 13.916 . 0 0 "[ . 1 . 2]" 2
55 1 49 GLN CB 1 65 LEU H . 4.200 11.700 9.729 6.988 11.553 . 0 0 "[ . 1 . 2]" 2
56 1 49 GLN CB 1 66 VAL H . 4.200 11.700 9.963 8.249 11.701 0.001 10 0 "[ . 1 . 2]" 2
57 1 49 GLN CB 1 67 ALA H . 7.200 15.500 10.052 7.826 13.297 . 0 0 "[ . 1 . 2]" 2
58 1 49 GLN CB 1 68 VAL H . 7.200 15.500 11.462 9.068 12.647 . 0 0 "[ . 1 . 2]" 2
59 1 49 GLN CB 1 69 VAL H . 7.200 15.500 12.895 10.461 14.957 . 0 0 "[ . 1 . 2]" 2
60 1 49 GLN CB 1 70 ALA H . 5.200 27.200 13.205 10.278 15.097 . 0 0 "[ . 1 . 2]" 2
61 1 49 GLN CB 1 71 GLY H . 5.200 27.200 13.757 12.021 15.064 . 0 0 "[ . 1 . 2]" 2
62 1 43 GLY H 1 56 PHE CB . 10.200 27.200 21.118 20.524 21.562 . 0 0 "[ . 1 . 2]" 2
63 1 44 MET H 1 56 PHE CB . 10.200 27.200 19.920 18.979 20.300 . 0 0 "[ . 1 . 2]" 2
64 1 46 PHE H 1 56 PHE CB . 4.200 19.700 16.329 15.219 16.855 . 0 0 "[ . 1 . 2]" 2
65 1 47 GLY H 1 56 PHE CB . 4.200 19.700 15.354 14.616 15.755 . 0 0 "[ . 1 . 2]" 2
66 1 48 LEU H 1 56 PHE CB . . 15.100 14.409 13.170 14.936 . 0 0 "[ . 1 . 2]" 2
67 1 49 GLN H 1 56 PHE CB . . 15.100 12.469 11.046 13.166 . 0 0 "[ . 1 . 2]" 2
68 1 50 MET H 1 56 PHE CB . . 15.100 10.874 10.021 11.243 . 0 0 "[ . 1 . 2]" 2
69 1 51 PHE H 1 56 PHE CB . . 15.100 10.401 9.690 10.704 . 0 0 "[ . 1 . 2]" 2
70 1 52 ILE H 1 56 PHE CB . . 15.100 9.051 7.757 9.578 . 0 0 "[ . 1 . 2]" 2
71 1 53 GLN H 1 56 PHE CB . . 15.100 6.907 5.646 7.390 . 0 0 "[ . 1 . 2]" 2
72 1 54 ARG H 1 56 PHE CB . . 15.100 6.145 5.747 6.274 . 0 0 "[ . 1 . 2]" 2
73 1 55 LYS H 1 56 PHE CB . . 15.100 4.627 4.308 4.773 . 0 0 "[ . 1 . 2]" 2
74 1 56 PHE CB 1 58 TYR H . . 15.100 3.318 2.963 4.763 . 0 0 "[ . 1 . 2]" 2
75 1 56 PHE CB 1 60 LEU H . . 15.100 7.511 6.726 8.554 . 0 0 "[ . 1 . 2]" 2
76 1 56 PHE CB 1 61 GLN H . . 15.100 7.980 6.360 11.213 . 0 0 "[ . 1 . 2]" 2
77 1 56 PHE CB 1 62 TRP H . . 15.100 6.754 5.528 10.071 . 0 0 "[ . 1 . 2]" 2
78 1 56 PHE CB 1 63 SER H . . 15.100 8.786 7.654 12.573 . 0 0 "[ . 1 . 2]" 2
79 1 56 PHE CB 1 64 LEU H . . 15.100 9.690 8.353 12.774 . 0 0 "[ . 1 . 2]" 2
80 1 56 PHE CB 1 65 LEU H . . 15.100 9.963 9.364 11.552 . 0 0 "[ . 1 . 2]" 2
81 1 56 PHE CB 1 66 VAL H . . 15.100 11.665 11.208 13.017 . 0 0 "[ . 1 . 2]" 2
82 1 56 PHE CB 1 67 ALA H . . 15.100 13.380 12.793 15.103 0.003 10 0 "[ . 1 . 2]" 2
83 1 56 PHE CB 1 68 VAL H . . 15.100 14.178 13.623 15.107 0.007 15 0 "[ . 1 . 2]" 2
84 1 56 PHE CB 1 69 VAL H . . 15.100 15.056 14.758 15.119 0.019 18 0 "[ . 1 . 2]" 2
85 1 56 PHE CB 1 70 ALA H . 4.200 19.700 16.700 16.320 17.095 . 0 0 "[ . 1 . 2]" 2
86 1 56 PHE CB 1 71 GLY H . 7.200 23.500 17.961 17.655 18.641 . 0 0 "[ . 1 . 2]" 2
87 1 56 PHE CB 1 72 SER H . 7.200 23.500 19.364 19.166 19.582 . 0 0 "[ . 1 . 2]" 2
88 1 56 PHE CB 1 73 VAL H . 7.200 23.500 20.931 19.967 21.166 . 0 0 "[ . 1 . 2]" 2
89 1 56 PHE CB 1 74 VAL H . 7.200 23.500 22.190 21.749 22.516 . 0 0 "[ . 1 . 2]" 2
90 1 56 PHE CB 1 75 SER H . 10.200 27.200 23.305 22.993 23.499 . 0 0 "[ . 1 . 2]" 2
91 1 56 PHE CB 1 76 TYR H . 10.200 27.200 25.159 24.590 25.363 . 0 0 "[ . 1 . 2]" 2
92 1 56 PHE CB 1 77 GLY H . 10.200 27.200 26.805 25.680 27.082 . 0 0 "[ . 1 . 2]" 2
93 1 32 MET H 1 75 SER CB . . 15.500 15.449 15.015 15.518 0.018 14 0 "[ . 1 . 2]" 2
94 1 60 LEU H 1 75 SER CB . 4.200 19.700 19.616 19.365 19.707 0.007 14 0 "[ . 1 . 2]" 2
95 1 61 GLN H 1 75 SER CB . 4.200 19.700 17.319 16.937 18.000 . 0 0 "[ . 1 . 2]" 2
96 1 64 LEU H 1 75 SER CB . . 19.700 15.717 15.348 16.132 . 0 0 "[ . 1 . 2]" 2
97 1 65 LEU H 1 75 SER CB . . 19.700 14.731 14.490 15.137 . 0 0 "[ . 1 . 2]" 2
98 1 66 VAL H 1 75 SER CB . . 15.100 13.668 13.531 14.074 . 0 0 "[ . 1 . 2]" 2
99 1 67 ALA H 1 75 SER CB . . 15.100 11.823 11.672 12.240 . 0 0 "[ . 1 . 2]" 2
100 1 68 VAL H 1 75 SER CB . . 15.100 10.265 10.119 10.693 . 0 0 "[ . 1 . 2]" 2
101 1 69 VAL H 1 75 SER CB . . 15.100 9.795 9.685 10.200 . 0 0 "[ . 1 . 2]" 2
102 1 70 ALA H 1 75 SER CB . . 15.100 8.989 8.887 9.364 . 0 0 "[ . 1 . 2]" 2
103 1 71 GLY H 1 75 SER CB . . 15.100 6.893 6.813 7.335 . 0 0 "[ . 1 . 2]" 2
104 1 72 SER H 1 75 SER CB . . 15.100 5.303 5.191 5.553 . 0 0 "[ . 1 . 2]" 2
105 1 73 VAL H 1 75 SER CB . . 15.100 5.583 5.522 5.728 . 0 0 "[ . 1 . 2]" 2
106 1 74 VAL H 1 75 SER CB . . 15.100 5.047 4.957 5.105 . 0 0 "[ . 1 . 2]" 2
107 1 75 SER CB 1 77 GLY H . . 15.100 5.348 5.233 5.393 . 0 0 "[ . 1 . 2]" 2
108 1 75 SER CB 1 78 VAL H . . 15.100 5.304 4.994 5.370 . 0 0 "[ . 1 . 2]" 2
109 1 75 SER CB 1 79 THR H . . 15.100 5.220 5.022 5.327 . 0 0 "[ . 1 . 2]" 2
110 1 75 SER CB 1 80 ARG H . . 15.100 7.479 7.256 7.596 . 0 0 "[ . 1 . 2]" 2
111 1 75 SER CB 1 81 VAL H . . 15.100 9.260 9.193 9.362 . 0 0 "[ . 1 . 2]" 2
112 1 75 SER CB 1 82 GLU H . . 15.100 9.311 9.228 9.405 . 0 0 "[ . 1 . 2]" 2
113 1 75 SER CB 1 83 SER H . . 15.100 10.251 10.047 10.459 . 0 0 "[ . 1 . 2]" 2
114 1 75 SER CB 1 85 LYS H . . 15.100 13.912 13.726 14.033 . 0 0 "[ . 1 . 2]" 2
115 1 75 SER CB 1 86 CYS H . . 15.100 14.026 13.799 14.198 . 0 0 "[ . 1 . 2]" 2
116 1 75 SER CB 1 93 LEU H . . 23.500 23.445 23.081 23.516 0.016 16 0 "[ . 1 . 2]" 2
117 1 75 SER CB 1 95 THR H . 4.200 27.200 27.132 26.906 27.205 0.005 19 0 "[ . 1 . 2]" 2
118 1 75 SER CB 1 100 LYS H . 10.200 27.200 23.716 20.645 26.740 . 0 0 "[ . 1 . 2]" 2
119 1 75 SER CB 1 101 ASP H . 10.200 27.200 24.068 20.266 27.197 . 0 0 "[ . 1 . 2]" 2
120 1 75 SER CB 1 102 ARG H . 10.200 27.200 23.694 16.917 27.117 . 0 0 "[ . 1 . 2]" 2
121 1 75 SER CB 1 103 SER H . 10.200 27.200 23.543 16.374 27.200 0.000 9 0 "[ . 1 . 2]" 2
122 1 19 GLY H 1 86 CYS CB . 5.200 15.600 15.100 12.822 15.610 0.010 19 0 "[ . 1 . 2]" 2
123 1 20 LEU H 1 86 CYS CB . 5.200 15.600 15.032 13.243 15.603 0.003 11 0 "[ . 1 . 2]" 2
124 1 21 GLY H 1 86 CYS CB . 5.200 15.600 13.667 11.127 15.601 0.001 14 0 "[ . 1 . 2]" 2
125 1 66 VAL H 1 86 CYS CB . 10.200 27.200 27.222 27.204 27.249 0.049 8 0 "[ . 1 . 2]" 2
126 1 67 ALA H 1 86 CYS CB . 10.200 27.200 25.099 25.044 25.181 . 0 0 "[ . 1 . 2]" 2
127 1 68 VAL H 1 86 CYS CB . 7.200 27.200 23.955 23.804 24.086 . 0 0 "[ . 1 . 2]" 2
128 1 70 ALA H 1 86 CYS CB . 4.200 23.500 22.561 22.385 22.681 . 0 0 "[ . 1 . 2]" 2
129 1 71 GLY H 1 86 CYS CB . 4.200 23.500 20.474 20.320 20.562 . 0 0 "[ . 1 . 2]" 2
130 1 72 SER H 1 86 CYS CB . 4.200 19.700 19.331 19.018 19.462 . 0 0 "[ . 1 . 2]" 2
131 1 73 VAL H 1 86 CYS CB . 4.200 19.700 18.942 18.674 19.091 . 0 0 "[ . 1 . 2]" 2
132 1 74 VAL H 1 86 CYS CB . . 19.700 17.424 17.107 17.614 . 0 0 "[ . 1 . 2]" 2
133 1 75 SER H 1 86 CYS CB . . 19.700 15.406 15.120 15.567 . 0 0 "[ . 1 . 2]" 2
134 1 76 TYR H 1 86 CYS CB . . 15.100 14.442 14.195 14.602 . 0 0 "[ . 1 . 2]" 2
135 1 77 GLY H 1 86 CYS CB . . 15.100 13.921 13.706 14.149 . 0 0 "[ . 1 . 2]" 2
136 1 78 VAL H 1 86 CYS CB . . 15.100 12.115 11.848 12.419 . 0 0 "[ . 1 . 2]" 2
137 1 79 THR H 1 86 CYS CB . . 15.100 10.263 10.065 10.489 . 0 0 "[ . 1 . 2]" 2
138 1 80 ARG H 1 86 CYS CB . . 15.100 9.662 9.491 9.883 . 0 0 "[ . 1 . 2]" 2
139 1 81 VAL H 1 86 CYS CB . . 15.100 8.972 8.841 9.243 . 0 0 "[ . 1 . 2]" 2
140 1 82 GLU H 1 86 CYS CB . . 15.100 6.943 6.778 7.325 . 0 0 "[ . 1 . 2]" 2
141 1 83 SER H 1 86 CYS CB . . 15.100 5.421 5.284 5.636 . 0 0 "[ . 1 . 2]" 2
142 1 84 GLU H 1 86 CYS CB . . 15.100 5.715 5.587 5.875 . 0 0 "[ . 1 . 2]" 2
143 1 85 LYS H 1 86 CYS CB . . 15.100 5.010 4.901 5.133 . 0 0 "[ . 1 . 2]" 2
144 1 86 CYS CB 1 87 ASN H . . 15.100 3.187 3.062 3.321 . 0 0 "[ . 1 . 2]" 2
145 1 86 CYS CB 1 88 ASN H . . 15.100 5.297 5.192 5.446 . 0 0 "[ . 1 . 2]" 2
146 1 86 CYS CB 1 89 LEU H . . 15.100 5.006 4.876 5.146 . 0 0 "[ . 1 . 2]" 2
147 1 86 CYS CB 1 90 TRP H . . 15.100 5.192 5.033 5.360 . 0 0 "[ . 1 . 2]" 2
148 1 86 CYS CB 1 91 LEU H . . 15.100 7.515 7.273 7.672 . 0 0 "[ . 1 . 2]" 2
149 1 86 CYS CB 1 92 PHE H . . 15.100 9.049 8.856 9.267 . 0 0 "[ . 1 . 2]" 2
150 1 86 CYS CB 1 93 LEU H . . 15.100 9.483 9.146 9.801 . 0 0 "[ . 1 . 2]" 2
151 1 86 CYS CB 1 94 GLU H . 4.200 15.100 10.925 10.642 11.281 . 0 0 "[ . 1 . 2]" 2
152 1 86 CYS CB 1 95 THR H . 4.200 19.700 13.074 12.770 13.489 . 0 0 "[ . 1 . 2]" 2
153 1 86 CYS CB 1 96 GLY H . 7.200 23.500 14.183 13.350 14.770 . 0 0 "[ . 1 . 2]" 2
154 1 86 CYS CB 1 97 GLN H . 7.200 23.500 14.054 13.700 14.509 . 0 0 "[ . 1 . 2]" 2
155 1 86 CYS CB 1 98 LEU H . 7.200 23.500 15.318 14.328 16.189 . 0 0 "[ . 1 . 2]" 2
156 1 86 CYS CB 1 101 ASP H . 10.200 27.200 14.596 11.295 18.015 . 0 0 "[ . 1 . 2]" 2
157 1 86 CYS CB 1 102 ARG H . 10.200 27.200 15.907 12.038 19.396 . 0 0 "[ . 1 . 2]" 2
158 1 86 CYS CB 1 103 SER H . 10.200 27.200 17.068 11.409 20.913 . 0 0 "[ . 1 . 2]" 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 219
_Distance_constraint_stats_list.Viol_count 12
_Distance_constraint_stats_list.Viol_total 3.092
_Distance_constraint_stats_list.Viol_max 0.026
_Distance_constraint_stats_list.Viol_rms 0.0008
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0129
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 0.153 0.026 16 0 "[ . 1 . 2]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLY 0.002 0.002 8 0 "[ . 1 . 2]"
1 42 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLN 0.153 0.026 16 0 "[ . 1 . 2]"
1 50 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 PHE 0.002 0.002 8 0 "[ . 1 . 2]"
1 58 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 SER 0.000 0.000 . 0 "[ . 1 . 2]"
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 26 CYS CB 1 43 GLY H . 24.800 . 25.633 24.807 27.325 . 0 0 "[ . 1 . 2]" 3
2 1 26 CYS CB 1 44 MET H . 24.800 . 28.020 27.163 29.103 . 0 0 "[ . 1 . 2]" 3
3 1 26 CYS CB 1 46 PHE H . 24.800 . 29.538 28.233 30.828 . 0 0 "[ . 1 . 2]" 3
4 1 26 CYS CB 1 47 GLY H . 24.800 . 30.646 29.029 32.232 . 0 0 "[ . 1 . 2]" 3
5 1 26 CYS CB 1 48 LEU H . 24.800 . 33.112 31.672 34.582 . 0 0 "[ . 1 . 2]" 3
6 1 26 CYS CB 1 49 GLN H . 24.800 . 34.070 32.615 35.524 . 0 0 "[ . 1 . 2]" 3
7 1 26 CYS CB 1 50 MET H . 24.800 . 33.966 31.883 35.729 . 0 0 "[ . 1 . 2]" 3
8 1 26 CYS CB 1 51 PHE H . 24.800 . 35.661 33.495 37.837 . 0 0 "[ . 1 . 2]" 3
9 1 26 CYS CB 1 52 ILE H . 24.800 . 37.863 35.956 39.369 . 0 0 "[ . 1 . 2]" 3
10 1 26 CYS CB 1 53 GLN H . 24.800 . 37.936 35.956 39.305 . 0 0 "[ . 1 . 2]" 3
11 1 26 CYS CB 1 54 ARG H . 24.800 . 38.729 36.256 40.948 . 0 0 "[ . 1 . 2]" 3
12 1 26 CYS CB 1 55 LYS H . 24.800 . 41.176 38.716 42.954 . 0 0 "[ . 1 . 2]" 3
13 1 26 CYS CB 1 56 PHE H . 24.800 . 41.603 38.935 43.385 . 0 0 "[ . 1 . 2]" 3
14 1 26 CYS CB 1 58 TYR H . 24.800 . 42.226 37.915 44.608 . 0 0 "[ . 1 . 2]" 3
15 1 26 CYS CB 1 62 TRP H . 9.200 . 37.487 31.477 41.052 . 0 0 "[ . 1 . 2]" 3
16 1 26 CYS CB 1 63 SER H . 9.200 . 35.590 29.026 39.628 . 0 0 "[ . 1 . 2]" 3
17 1 26 CYS CB 1 64 LEU H . 9.200 . 33.578 27.737 37.425 . 0 0 "[ . 1 . 2]" 3
18 1 26 CYS CB 1 65 LEU H . 9.200 . 33.554 28.256 36.824 . 0 0 "[ . 1 . 2]" 3
19 1 26 CYS CB 1 66 VAL H . 9.200 . 32.973 27.252 36.351 . 0 0 "[ . 1 . 2]" 3
20 1 26 CYS CB 1 67 ALA H . 9.200 . 30.716 24.873 34.253 . 0 0 "[ . 1 . 2]" 3
21 1 26 CYS CB 1 69 VAL H . 9.200 . 30.080 25.400 32.745 . 0 0 "[ . 1 . 2]" 3
22 1 26 CYS CB 1 70 ALA H . 9.200 . 29.306 23.871 32.437 . 0 0 "[ . 1 . 2]" 3
23 1 26 CYS CB 1 71 GLY H . 9.200 . 27.010 21.737 30.076 . 0 0 "[ . 1 . 2]" 3
24 1 26 CYS CB 1 72 SER H . 9.200 . 26.164 21.794 28.708 . 0 0 "[ . 1 . 2]" 3
25 1 26 CYS CB 1 73 VAL H . 9.200 . 26.526 22.220 28.912 . 0 0 "[ . 1 . 2]" 3
26 1 26 CYS CB 1 74 VAL H . 9.200 . 25.215 20.030 28.081 . 0 0 "[ . 1 . 2]" 3
27 1 26 CYS CB 1 75 SER H . 9.200 . 23.073 18.473 25.653 . 0 0 "[ . 1 . 2]" 3
28 1 26 CYS CB 1 76 TYR H . 9.200 . 22.688 18.480 24.985 . 0 0 "[ . 1 . 2]" 3
29 1 26 CYS CB 1 77 GLY H . 9.200 . 22.875 17.720 25.378 . 0 0 "[ . 1 . 2]" 3
30 1 26 CYS CB 1 79 THR H . 9.200 . 19.387 15.531 21.589 . 0 0 "[ . 1 . 2]" 3
31 1 26 CYS CB 1 80 ARG H . 9.200 . 19.491 13.501 21.955 . 0 0 "[ . 1 . 2]" 3
32 1 26 CYS CB 1 81 VAL H . 9.200 . 19.151 12.339 21.565 . 0 0 "[ . 1 . 2]" 3
33 1 26 CYS CB 1 83 SER H . 9.200 . 16.137 11.381 18.189 . 0 0 "[ . 1 . 2]" 3
34 1 26 CYS CB 1 85 LYS H . 9.200 . 15.787 9.210 18.101 . 0 0 "[ . 1 . 2]" 3
35 1 26 CYS CB 1 88 ASN H . 9.200 . 14.513 9.306 16.621 . 0 0 "[ . 1 . 2]" 3
36 1 26 CYS CB 1 103 SER H . 9.200 . 15.090 9.514 22.995 . 0 0 "[ . 1 . 2]" 3
37 1 26 CYS CB 1 104 THR H . 9.200 . 16.216 9.972 24.604 . 0 0 "[ . 1 . 2]" 3
38 1 26 CYS CB 1 105 ASP H . 9.200 . 16.066 9.705 25.230 . 0 0 "[ . 1 . 2]" 3
39 1 26 CYS CB 1 106 GLN H . 9.200 . 18.017 9.930 25.370 . 0 0 "[ . 1 . 2]" 3
40 1 26 CYS CB 1 107 ARG H . 9.200 . 18.411 10.824 28.608 . 0 0 "[ . 1 . 2]" 3
41 1 26 CYS CB 1 108 SER H . 9.200 . 20.065 13.552 29.699 . 0 0 "[ . 1 . 2]" 3
42 1 15 ALA H 1 49 GLN CB . 24.800 . 44.497 39.559 48.643 . 0 0 "[ . 1 . 2]" 3
43 1 16 LYS H 1 49 GLN CB . 24.800 . 45.245 40.232 50.057 . 0 0 "[ . 1 . 2]" 3
44 1 17 HIS H 1 49 GLN CB . 24.800 . 45.138 40.627 49.321 . 0 0 "[ . 1 . 2]" 3
45 1 19 GLY H 1 49 GLN CB . 24.800 . 42.583 40.581 44.922 . 0 0 "[ . 1 . 2]" 3
46 1 20 LEU H 1 49 GLN CB . 24.800 . 42.865 41.565 44.156 . 0 0 "[ . 1 . 2]" 3
47 1 21 GLY H 1 49 GLN CB . 24.800 . 41.185 39.784 42.771 . 0 0 "[ . 1 . 2]" 3
48 1 22 GLU H 1 49 GLN CB . 24.800 . 39.992 38.497 41.937 . 0 0 "[ . 1 . 2]" 3
49 1 23 TYR H 1 49 GLN CB . 24.800 . 39.059 38.192 40.370 . 0 0 "[ . 1 . 2]" 3
50 1 24 ALA H 1 49 GLN CB . 24.800 . 37.524 36.608 38.492 . 0 0 "[ . 1 . 2]" 3
51 1 26 CYS H 1 49 GLN CB . 24.800 . 34.893 33.870 36.324 . 0 0 "[ . 1 . 2]" 3
52 1 28 SER H 1 49 GLN CB . 24.800 . 31.960 31.166 33.282 . 0 0 "[ . 1 . 2]" 3
53 1 30 ALA H 1 49 GLN CB . 24.800 . 29.930 29.426 30.780 . 0 0 "[ . 1 . 2]" 3
54 1 31 PHE H 1 49 GLN CB . 24.800 . 28.575 27.764 29.255 . 0 0 "[ . 1 . 2]" 3
55 1 32 MET H 1 49 GLN CB . 24.800 . 26.612 26.056 27.800 . 0 0 "[ . 1 . 2]" 3
56 1 33 LYS H 1 49 GLN CB . 24.800 . 25.520 25.058 26.553 . 0 0 "[ . 1 . 2]" 3
57 1 34 GLY H 1 49 GLN CB . 24.800 . 24.818 24.774 25.104 0.026 16 0 "[ . 1 . 2]" 3
58 1 49 GLN CB 1 72 SER H . 9.200 . 15.676 13.489 17.413 . 0 0 "[ . 1 . 2]" 3
59 1 49 GLN CB 1 74 VAL H . 9.200 . 17.306 14.298 18.959 . 0 0 "[ . 1 . 2]" 3
60 1 49 GLN CB 1 76 TYR H . 9.200 . 20.514 17.850 22.349 . 0 0 "[ . 1 . 2]" 3
61 1 49 GLN CB 1 77 GLY H . 9.200 . 21.693 18.169 23.623 . 0 0 "[ . 1 . 2]" 3
62 1 49 GLN CB 1 79 THR H . 9.200 . 23.192 21.125 24.573 . 0 0 "[ . 1 . 2]" 3
63 1 49 GLN CB 1 80 ARG H . 9.200 . 25.315 22.803 26.976 . 0 0 "[ . 1 . 2]" 3
64 1 49 GLN CB 1 81 VAL H . 9.200 . 26.157 23.776 27.637 . 0 0 "[ . 1 . 2]" 3
65 1 49 GLN CB 1 82 GLU H . 9.200 . 26.189 23.991 27.246 . 0 0 "[ . 1 . 2]" 3
66 1 49 GLN CB 1 83 SER H . 9.200 . 27.940 25.495 29.135 . 0 0 "[ . 1 . 2]" 3
67 1 49 GLN CB 1 85 LYS H . 9.200 . 30.588 28.483 31.796 . 0 0 "[ . 1 . 2]" 3
68 1 49 GLN CB 1 88 ASN H . 9.200 . 34.811 32.385 36.041 . 0 0 "[ . 1 . 2]" 3
69 1 49 GLN CB 1 90 TRP H . 9.200 . 35.795 32.640 37.737 . 0 0 "[ . 1 . 2]" 3
70 1 49 GLN CB 1 91 LEU H . 9.200 . 38.158 35.224 39.693 . 0 0 "[ . 1 . 2]" 3
71 1 49 GLN CB 1 92 PHE H . 9.200 . 39.010 35.818 40.602 . 0 0 "[ . 1 . 2]" 3
72 1 49 GLN CB 1 94 GLU H . 9.200 . 41.040 37.405 43.595 . 0 0 "[ . 1 . 2]" 3
73 1 49 GLN CB 1 95 THR H . 9.200 . 42.961 39.316 45.172 . 0 0 "[ . 1 . 2]" 3
74 1 49 GLN CB 1 96 GLY H . 9.200 . 43.415 39.539 46.751 . 0 0 "[ . 1 . 2]" 3
75 1 49 GLN CB 1 97 GLN H . 9.200 . 42.754 39.108 45.769 . 0 0 "[ . 1 . 2]" 3
76 1 49 GLN CB 1 98 LEU H . 9.200 . 41.814 37.585 45.887 . 0 0 "[ . 1 . 2]" 3
77 1 49 GLN CB 1 101 ASP H . 9.200 . 34.745 27.978 39.851 . 0 0 "[ . 1 . 2]" 3
78 1 49 GLN CB 1 102 ARG H . 9.200 . 32.999 27.828 37.017 . 0 0 "[ . 1 . 2]" 3
79 1 49 GLN CB 1 103 SER H . 9.200 . 31.795 26.417 37.497 . 0 0 "[ . 1 . 2]" 3
80 1 49 GLN CB 1 104 THR H . 9.200 . 31.300 23.803 36.773 . 0 0 "[ . 1 . 2]" 3
81 1 49 GLN CB 1 105 ASP H . 9.200 . 30.264 21.117 36.559 . 0 0 "[ . 1 . 2]" 3
82 1 49 GLN CB 1 106 GLN H . 9.200 . 29.057 19.256 36.911 . 0 0 "[ . 1 . 2]" 3
83 1 49 GLN CB 1 107 ARG H . 9.200 . 28.691 19.003 35.157 . 0 0 "[ . 1 . 2]" 3
84 1 49 GLN CB 1 108 SER H . 9.200 . 28.029 18.273 37.439 . 0 0 "[ . 1 . 2]" 3
85 1 2 VAL H 1 56 PHE CB . 24.800 . 57.304 50.405 68.671 . 0 0 "[ . 1 . 2]" 3
86 1 3 ASN H 1 56 PHE CB . 24.800 . 56.559 46.097 66.408 . 0 0 "[ . 1 . 2]" 3
87 1 4 LEU H 1 56 PHE CB . 24.800 . 55.595 44.530 66.220 . 0 0 "[ . 1 . 2]" 3
88 1 5 GLY H 1 56 PHE CB . 24.800 . 55.580 46.400 66.220 . 0 0 "[ . 1 . 2]" 3
89 1 6 LEU H 1 56 PHE CB . 24.800 . 55.870 48.836 66.958 . 0 0 "[ . 1 . 2]" 3
90 1 7 SER H 1 56 PHE CB . 24.800 . 54.662 48.268 65.458 . 0 0 "[ . 1 . 2]" 3
91 1 8 ARG H 1 56 PHE CB . 24.800 . 53.947 46.427 63.379 . 0 0 "[ . 1 . 2]" 3
92 1 9 VAL H 1 56 PHE CB . 24.800 . 54.418 46.723 62.610 . 0 0 "[ . 1 . 2]" 3
93 1 10 ASP H 1 56 PHE CB . 24.800 . 53.877 46.982 61.880 . 0 0 "[ . 1 . 2]" 3
94 1 11 ASP H 1 56 PHE CB . 24.800 . 52.616 46.741 59.805 . 0 0 "[ . 1 . 2]" 3
95 1 12 ALA H 1 56 PHE CB . 24.800 . 52.655 46.646 58.048 . 0 0 "[ . 1 . 2]" 3
96 1 15 ALA H 1 56 PHE CB . 24.800 . 51.249 46.659 56.028 . 0 0 "[ . 1 . 2]" 3
97 1 16 LYS H 1 56 PHE CB . 24.800 . 51.816 44.954 57.417 . 0 0 "[ . 1 . 2]" 3
98 1 17 HIS H 1 56 PHE CB . 24.800 . 51.665 44.704 56.440 . 0 0 "[ . 1 . 2]" 3
99 1 19 GLY H 1 56 PHE CB . 24.800 . 49.124 46.149 51.110 . 0 0 "[ . 1 . 2]" 3
100 1 20 LEU H 1 56 PHE CB . 24.800 . 49.319 45.569 51.426 . 0 0 "[ . 1 . 2]" 3
101 1 21 GLY H 1 56 PHE CB . 24.800 . 47.533 45.140 49.239 . 0 0 "[ . 1 . 2]" 3
102 1 22 GLU H 1 56 PHE CB . 24.800 . 46.467 44.342 48.476 . 0 0 "[ . 1 . 2]" 3
103 1 23 TYR H 1 56 PHE CB . 24.800 . 45.917 43.345 47.722 . 0 0 "[ . 1 . 2]" 3
104 1 24 ALA H 1 56 PHE CB . 24.800 . 44.444 41.173 46.174 . 0 0 "[ . 1 . 2]" 3
105 1 25 ALA H 1 56 PHE CB . 24.800 . 42.637 40.759 44.091 . 0 0 "[ . 1 . 2]" 3
106 1 26 CYS H 1 56 PHE CB . 24.800 . 42.009 40.097 43.636 . 0 0 "[ . 1 . 2]" 3
107 1 28 SER H 1 56 PHE CB . 24.800 . 39.356 37.066 41.238 . 0 0 "[ . 1 . 2]" 3
108 1 30 ALA H 1 56 PHE CB . 24.800 . 37.769 36.531 39.017 . 0 0 "[ . 1 . 2]" 3
109 1 31 PHE H 1 56 PHE CB . 24.800 . 36.664 34.042 37.913 . 0 0 "[ . 1 . 2]" 3
110 1 32 MET H 1 56 PHE CB . 24.800 . 34.606 33.110 36.527 . 0 0 "[ . 1 . 2]" 3
111 1 33 LYS H 1 56 PHE CB . 24.800 . 33.709 32.459 34.341 . 0 0 "[ . 1 . 2]" 3
112 1 34 GLY H 1 56 PHE CB . 24.800 . 33.435 32.355 34.271 . 0 0 "[ . 1 . 2]" 3
113 1 35 VAL H 1 56 PHE CB . 24.800 . 31.777 29.852 33.670 . 0 0 "[ . 1 . 2]" 3
114 1 36 PHE H 1 56 PHE CB . 24.800 . 30.008 28.846 31.717 . 0 0 "[ . 1 . 2]" 3
115 1 37 THR H 1 56 PHE CB . 24.800 . 29.499 28.625 30.087 . 0 0 "[ . 1 . 2]" 3
116 1 38 PHE H 1 56 PHE CB . 24.800 . 28.830 27.517 30.249 . 0 0 "[ . 1 . 2]" 3
117 1 39 VAL H 1 56 PHE CB . 24.800 . 26.879 25.489 30.043 . 0 0 "[ . 1 . 2]" 3
118 1 40 THR H 1 56 PHE CB . 24.800 . 25.588 24.807 27.633 . 0 0 "[ . 1 . 2]" 3
119 1 41 GLY H 1 56 PHE CB . 24.800 . 24.986 24.798 25.539 0.002 8 0 "[ . 1 . 2]" 3
120 1 56 PHE CB 1 79 THR H . 24.800 . 28.874 28.434 29.123 . 0 0 "[ . 1 . 2]" 3
121 1 56 PHE CB 1 80 ARG H . 24.800 . 30.938 30.342 31.228 . 0 0 "[ . 1 . 2]" 3
122 1 56 PHE CB 1 81 VAL H . 24.800 . 32.335 31.677 32.681 . 0 0 "[ . 1 . 2]" 3
123 1 56 PHE CB 1 82 GLU H . 24.800 . 32.706 32.093 33.338 . 0 0 "[ . 1 . 2]" 3
124 1 56 PHE CB 1 83 SER H . 24.800 . 34.163 33.515 34.463 . 0 0 "[ . 1 . 2]" 3
125 1 56 PHE CB 1 85 LYS H . 24.800 . 37.415 36.852 37.994 . 0 0 "[ . 1 . 2]" 3
126 1 56 PHE CB 1 88 ASN H . 24.800 . 41.693 41.013 42.189 . 0 0 "[ . 1 . 2]" 3
127 1 56 PHE CB 1 90 TRP H . 24.800 . 42.794 41.814 43.865 . 0 0 "[ . 1 . 2]" 3
128 1 56 PHE CB 1 91 LEU H . 24.800 . 45.133 44.317 46.149 . 0 0 "[ . 1 . 2]" 3
129 1 56 PHE CB 1 92 PHE H . 24.800 . 46.369 45.111 47.311 . 0 0 "[ . 1 . 2]" 3
130 1 56 PHE CB 1 93 LEU H . 24.800 . 46.517 44.978 47.694 . 0 0 "[ . 1 . 2]" 3
131 1 56 PHE CB 1 94 GLU H . 24.800 . 48.234 46.944 49.633 . 0 0 "[ . 1 . 2]" 3
132 1 56 PHE CB 1 95 THR H . 24.800 . 50.374 48.891 51.502 . 0 0 "[ . 1 . 2]" 3
133 1 56 PHE CB 1 96 GLY H . 24.800 . 50.987 49.369 52.759 . 0 0 "[ . 1 . 2]" 3
134 1 56 PHE CB 1 97 GLN H . 24.800 . 50.553 48.516 51.990 . 0 0 "[ . 1 . 2]" 3
135 1 56 PHE CB 1 98 LEU H . 24.800 . 50.042 46.985 51.635 . 0 0 "[ . 1 . 2]" 3
136 1 56 PHE CB 1 101 ASP H . 24.800 . 43.402 38.349 48.284 . 0 0 "[ . 1 . 2]" 3
137 1 56 PHE CB 1 102 ARG H . 24.800 . 41.699 37.610 46.078 . 0 0 "[ . 1 . 2]" 3
138 1 56 PHE CB 1 103 SER H . 24.800 . 40.405 36.110 46.489 . 0 0 "[ . 1 . 2]" 3
139 1 56 PHE CB 1 104 THR H . 24.800 . 39.850 33.242 46.002 . 0 0 "[ . 1 . 2]" 3
140 1 56 PHE CB 1 105 ASP H . 24.800 . 38.550 30.961 43.201 . 0 0 "[ . 1 . 2]" 3
141 1 56 PHE CB 1 106 GLN H . 24.800 . 37.221 28.642 43.795 . 0 0 "[ . 1 . 2]" 3
142 1 56 PHE CB 1 107 ARG H . 24.800 . 36.346 27.898 42.443 . 0 0 "[ . 1 . 2]" 3
143 1 56 PHE CB 1 108 SER H . 24.800 . 35.422 26.158 44.533 . 0 0 "[ . 1 . 2]" 3
144 1 16 LYS H 1 75 SER CB . 5.200 . 30.090 21.753 35.167 . 0 0 "[ . 1 . 2]" 3
145 1 17 HIS H 1 75 SER CB . 5.200 . 29.828 22.481 34.392 . 0 0 "[ . 1 . 2]" 3
146 1 19 GLY H 1 75 SER CB . 5.200 . 26.899 23.293 28.692 . 0 0 "[ . 1 . 2]" 3
147 1 20 LEU H 1 75 SER CB . 5.200 . 26.928 24.503 28.303 . 0 0 "[ . 1 . 2]" 3
148 1 21 GLY H 1 75 SER CB . 5.200 . 25.226 23.483 26.905 . 0 0 "[ . 1 . 2]" 3
149 1 22 GLU H 1 75 SER CB . 5.200 . 24.561 22.185 27.083 . 0 0 "[ . 1 . 2]" 3
150 1 23 TYR H 1 75 SER CB . 5.200 . 24.148 21.955 25.560 . 0 0 "[ . 1 . 2]" 3
151 1 24 ALA H 1 75 SER CB . 5.200 . 22.569 20.497 23.865 . 0 0 "[ . 1 . 2]" 3
152 1 26 CYS H 1 75 SER CB . 9.200 . 20.925 18.486 22.912 . 0 0 "[ . 1 . 2]" 3
153 1 27 GLN H 1 75 SER CB . 9.200 . 20.120 17.825 21.218 . 0 0 "[ . 1 . 2]" 3
154 1 28 SER H 1 75 SER CB . 9.200 . 18.392 17.293 19.127 . 0 0 "[ . 1 . 2]" 3
155 1 30 ALA H 1 75 SER CB . 9.200 . 18.096 15.688 19.363 . 0 0 "[ . 1 . 2]" 3
156 1 34 GLY H 1 75 SER CB . 9.200 . 16.227 13.513 17.844 . 0 0 "[ . 1 . 2]" 3
157 1 35 VAL H 1 75 SER CB . 9.200 . 14.869 12.601 16.879 . 0 0 "[ . 1 . 2]" 3
158 1 36 PHE H 1 75 SER CB . 9.200 . 14.066 13.268 15.016 . 0 0 "[ . 1 . 2]" 3
159 1 37 THR H 1 75 SER CB . 9.200 . 15.194 12.853 17.226 . 0 0 "[ . 1 . 2]" 3
160 1 38 PHE H 1 75 SER CB . 9.200 . 15.323 12.444 17.771 . 0 0 "[ . 1 . 2]" 3
161 1 39 VAL H 1 75 SER CB . 9.200 . 14.126 11.620 16.366 . 0 0 "[ . 1 . 2]" 3
162 1 40 THR H 1 75 SER CB . 9.200 . 14.582 12.826 16.154 . 0 0 "[ . 1 . 2]" 3
163 1 41 GLY H 1 75 SER CB . 9.200 . 16.182 14.308 18.262 . 0 0 "[ . 1 . 2]" 3
164 1 42 THR H 1 75 SER CB . 9.200 . 16.631 14.251 18.376 . 0 0 "[ . 1 . 2]" 3
165 1 43 GLY H 1 75 SER CB . 9.200 . 17.470 14.369 19.061 . 0 0 "[ . 1 . 2]" 3
166 1 44 MET H 1 75 SER CB . 9.200 . 19.206 16.122 20.865 . 0 0 "[ . 1 . 2]" 3
167 1 46 PHE H 1 75 SER CB . 9.200 . 17.289 14.728 18.961 . 0 0 "[ . 1 . 2]" 3
168 1 47 GLY H 1 75 SER CB . 9.200 . 18.733 15.507 20.359 . 0 0 "[ . 1 . 2]" 3
169 1 48 LEU H 1 75 SER CB . 9.200 . 20.794 18.283 22.636 . 0 0 "[ . 1 . 2]" 3
170 1 49 GLN H 1 75 SER CB . 9.200 . 20.154 17.587 21.966 . 0 0 "[ . 1 . 2]" 3
171 1 50 MET H 1 75 SER CB . 9.200 . 19.605 17.179 21.296 . 0 0 "[ . 1 . 2]" 3
172 1 51 PHE H 1 75 SER CB . 9.200 . 21.777 19.080 23.366 . 0 0 "[ . 1 . 2]" 3
173 1 52 ILE H 1 75 SER CB . 9.200 . 23.165 21.166 24.480 . 0 0 "[ . 1 . 2]" 3
174 1 53 GLN H 1 75 SER CB . 9.200 . 22.166 20.449 23.268 . 0 0 "[ . 1 . 2]" 3
175 1 54 ARG H 1 75 SER CB . 9.200 . 23.150 20.755 24.931 . 0 0 "[ . 1 . 2]" 3
176 1 55 LYS H 1 75 SER CB . 9.200 . 25.015 23.247 26.178 . 0 0 "[ . 1 . 2]" 3
177 1 56 PHE H 1 75 SER CB . 9.200 . 24.722 23.648 25.733 . 0 0 "[ . 1 . 2]" 3
178 1 58 TYR H 1 75 SER CB . 9.200 . 24.321 23.352 24.750 . 0 0 "[ . 1 . 2]" 3
179 1 75 SER CB 1 96 GLY H . 4.200 . 28.116 27.172 28.629 . 0 0 "[ . 1 . 2]" 3
180 1 75 SER CB 1 97 GLN H . 4.200 . 27.842 27.499 28.081 . 0 0 "[ . 1 . 2]" 3
181 1 75 SER CB 1 98 LEU H . 4.200 . 28.254 27.344 29.332 . 0 0 "[ . 1 . 2]" 3
182 1 15 ALA H 1 86 CYS CB . 9.200 . 18.476 12.039 22.285 . 0 0 "[ . 1 . 2]" 3
183 1 16 LYS H 1 86 CYS CB . 9.200 . 19.028 11.510 22.901 . 0 0 "[ . 1 . 2]" 3
184 1 17 HIS H 1 86 CYS CB . 9.200 . 18.560 12.655 21.556 . 0 0 "[ . 1 . 2]" 3
185 1 23 TYR H 1 86 CYS CB . 9.200 . 12.920 11.392 13.849 . 0 0 "[ . 1 . 2]" 3
186 1 24 ALA H 1 86 CYS CB . 9.200 . 11.390 9.708 13.857 . 0 0 "[ . 1 . 2]" 3
187 1 26 CYS H 1 86 CYS CB . 9.200 . 11.114 9.401 12.940 . 0 0 "[ . 1 . 2]" 3
188 1 27 GLN H 1 86 CYS CB . 9.200 . 10.404 9.208 13.486 . 0 0 "[ . 1 . 2]" 3
189 1 30 ALA H 1 86 CYS CB . 9.200 . 11.145 9.200 13.735 . 0 0 "[ . 1 . 2]" 3
190 1 31 PHE H 1 86 CYS CB . 9.200 . 10.901 9.207 16.034 . 0 0 "[ . 1 . 2]" 3
191 1 32 MET H 1 86 CYS CB . 9.200 . 10.876 9.209 15.226 . 0 0 "[ . 1 . 2]" 3
192 1 33 LYS H 1 86 CYS CB . 9.200 . 12.537 11.345 15.004 . 0 0 "[ . 1 . 2]" 3
193 1 34 GLY H 1 86 CYS CB . 9.200 . 13.577 10.481 17.421 . 0 0 "[ . 1 . 2]" 3
194 1 35 VAL H 1 86 CYS CB . 9.200 . 13.634 10.528 18.937 . 0 0 "[ . 1 . 2]" 3
195 1 36 PHE H 1 86 CYS CB . 9.200 . 14.577 12.874 17.843 . 0 0 "[ . 1 . 2]" 3
196 1 37 THR H 1 86 CYS CB . 9.200 . 16.455 14.223 19.206 . 0 0 "[ . 1 . 2]" 3
197 1 38 PHE H 1 86 CYS CB . 9.200 . 17.250 14.016 21.353 . 0 0 "[ . 1 . 2]" 3
198 1 39 VAL H 1 86 CYS CB . 9.200 . 17.689 14.250 21.898 . 0 0 "[ . 1 . 2]" 3
199 1 40 THR H 1 86 CYS CB . 9.200 . 19.178 16.887 21.708 . 0 0 "[ . 1 . 2]" 3
200 1 41 GLY H 1 86 CYS CB . 9.200 . 21.254 17.618 24.302 . 0 0 "[ . 1 . 2]" 3
201 1 42 THR H 1 86 CYS CB . 9.200 . 23.047 19.381 25.924 . 0 0 "[ . 1 . 2]" 3
202 1 43 GLY H 1 86 CYS CB . 9.200 . 24.900 21.593 26.884 . 0 0 "[ . 1 . 2]" 3
203 1 44 MET H 1 86 CYS CB . 9.200 . 27.211 23.793 29.189 . 0 0 "[ . 1 . 2]" 3
204 1 46 PHE H 1 86 CYS CB . 9.200 . 27.182 23.744 29.085 . 0 0 "[ . 1 . 2]" 3
205 1 47 GLY H 1 86 CYS CB . 9.200 . 28.827 26.193 30.314 . 0 0 "[ . 1 . 2]" 3
206 1 48 LEU H 1 86 CYS CB . 9.200 . 31.126 27.806 32.623 . 0 0 "[ . 1 . 2]" 3
207 1 49 GLN H 1 86 CYS CB . 9.200 . 31.262 27.929 32.926 . 0 0 "[ . 1 . 2]" 3
208 1 50 MET H 1 86 CYS CB . 9.200 . 31.220 28.949 32.844 . 0 0 "[ . 1 . 2]" 3
209 1 51 PHE H 1 86 CYS CB . 9.200 . 33.341 31.374 34.785 . 0 0 "[ . 1 . 2]" 3
210 1 52 ILE H 1 86 CYS CB . 9.200 . 35.063 32.656 36.365 . 0 0 "[ . 1 . 2]" 3
211 1 53 GLN H 1 86 CYS CB . 9.200 . 34.625 32.622 35.584 . 0 0 "[ . 1 . 2]" 3
212 1 54 ARG H 1 86 CYS CB . 9.200 . 35.722 34.311 37.257 . 0 0 "[ . 1 . 2]" 3
213 1 55 LYS H 1 86 CYS CB . 24.800 . 37.876 36.391 38.724 . 0 0 "[ . 1 . 2]" 3
214 1 58 TYR H 1 86 CYS CB . 24.800 . 38.002 37.035 38.466 . 0 0 "[ . 1 . 2]" 3
215 1 62 TRP H 1 86 CYS CB . 24.800 . 32.506 32.256 32.753 . 0 0 "[ . 1 . 2]" 3
216 1 63 SER H 1 86 CYS CB . 24.800 . 30.628 30.237 30.972 . 0 0 "[ . 1 . 2]" 3
217 1 64 LEU H 1 86 CYS CB . 24.800 . 28.841 28.480 29.062 . 0 0 "[ . 1 . 2]" 3
218 1 65 LEU H 1 86 CYS CB . 24.800 . 28.350 28.145 28.503 . 0 0 "[ . 1 . 2]" 3
219 1 69 VAL H 1 86 CYS CB . 7.200 . 23.793 23.543 23.869 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 120
_Distance_constraint_stats_list.Viol_count 803
_Distance_constraint_stats_list.Viol_total 163.594
_Distance_constraint_stats_list.Viol_max 0.078
_Distance_constraint_stats_list.Viol_rms 0.0080
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0102
_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 6 LEU 0.000 0.000 1 0 "[ . 1 . 2]"
1 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASP 0.001 0.001 13 0 "[ . 1 . 2]"
1 11 ASP 0.011 0.009 14 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ALA 0.001 0.001 13 0 "[ . 1 . 2]"
1 15 ALA 0.011 0.009 14 0 "[ . 1 . 2]"
1 20 LEU 0.010 0.003 8 0 "[ . 1 . 2]"
1 21 GLY 0.055 0.022 14 0 "[ . 1 . 2]"
1 22 GLU 0.024 0.006 19 0 "[ . 1 . 2]"
1 23 TYR 0.023 0.006 4 0 "[ . 1 . 2]"
1 24 ALA 0.034 0.009 4 0 "[ . 1 . 2]"
1 25 ALA 0.081 0.022 14 0 "[ . 1 . 2]"
1 26 CYS 0.074 0.013 19 0 "[ . 1 . 2]"
1 27 GLN 0.070 0.007 14 0 "[ . 1 . 2]"
1 28 SER 0.039 0.009 4 0 "[ . 1 . 2]"
1 29 HIS 0.062 0.013 4 0 "[ . 1 . 2]"
1 30 ALA 0.097 0.013 19 0 "[ . 1 . 2]"
1 31 PHE 0.115 0.014 20 0 "[ . 1 . 2]"
1 32 MET 0.098 0.024 4 0 "[ . 1 . 2]"
1 33 LYS 0.132 0.022 19 0 "[ . 1 . 2]"
1 34 GLY 0.213 0.022 18 0 "[ . 1 . 2]"
1 35 VAL 0.198 0.033 17 0 "[ . 1 . 2]"
1 36 PHE 0.191 0.024 4 0 "[ . 1 . 2]"
1 37 THR 0.096 0.022 19 0 "[ . 1 . 2]"
1 38 PHE 0.167 0.022 18 0 "[ . 1 . 2]"
1 39 VAL 0.130 0.033 17 0 "[ . 1 . 2]"
1 40 THR 0.108 0.016 4 0 "[ . 1 . 2]"
1 43 GLY 0.151 0.021 19 0 "[ . 1 . 2]"
1 44 MET 0.124 0.027 17 0 "[ . 1 . 2]"
1 45 ALA 0.189 0.029 16 0 "[ . 1 . 2]"
1 46 PHE 0.021 0.010 7 0 "[ . 1 . 2]"
1 47 GLY 0.177 0.021 19 0 "[ . 1 . 2]"
1 48 LEU 0.433 0.032 14 0 "[ . 1 . 2]"
1 49 GLN 0.268 0.029 16 0 "[ . 1 . 2]"
1 50 MET 1.428 0.078 14 0 "[ . 1 . 2]"
1 51 PHE 0.026 0.010 8 0 "[ . 1 . 2]"
1 52 ILE 0.310 0.032 14 0 "[ . 1 . 2]"
1 53 GLN 0.079 0.019 4 0 "[ . 1 . 2]"
1 54 ARG 1.407 0.078 14 0 "[ . 1 . 2]"
1 62 TRP 0.037 0.010 18 0 "[ . 1 . 2]"
1 63 SER 0.030 0.007 16 0 "[ . 1 . 2]"
1 64 LEU 0.103 0.018 8 0 "[ . 1 . 2]"
1 65 LEU 0.233 0.036 16 0 "[ . 1 . 2]"
1 66 VAL 0.464 0.031 12 0 "[ . 1 . 2]"
1 67 ALA 0.615 0.035 14 0 "[ . 1 . 2]"
1 68 VAL 0.260 0.019 12 0 "[ . 1 . 2]"
1 69 VAL 0.426 0.036 16 0 "[ . 1 . 2]"
1 70 ALA 0.638 0.031 12 0 "[ . 1 . 2]"
1 71 GLY 0.661 0.035 14 0 "[ . 1 . 2]"
1 72 SER 0.216 0.019 12 0 "[ . 1 . 2]"
1 73 VAL 0.344 0.025 6 0 "[ . 1 . 2]"
1 74 VAL 0.592 0.039 9 0 "[ . 1 . 2]"
1 75 SER 0.344 0.029 20 0 "[ . 1 . 2]"
1 76 TYR 0.229 0.029 12 0 "[ . 1 . 2]"
1 77 GLY 0.487 0.032 9 0 "[ . 1 . 2]"
1 78 VAL 0.625 0.039 9 0 "[ . 1 . 2]"
1 79 THR 0.410 0.031 20 0 "[ . 1 . 2]"
1 80 ARG 0.423 0.029 12 0 "[ . 1 . 2]"
1 81 VAL 0.528 0.044 9 0 "[ . 1 . 2]"
1 82 GLU 0.600 0.037 9 0 "[ . 1 . 2]"
1 83 SER 0.196 0.031 20 0 "[ . 1 . 2]"
1 84 GLU 0.298 0.024 12 0 "[ . 1 . 2]"
1 85 LYS 0.222 0.044 9 0 "[ . 1 . 2]"
1 86 CYS 0.379 0.037 9 0 "[ . 1 . 2]"
1 87 ASN 0.071 0.009 12 0 "[ . 1 . 2]"
1 88 ASN 0.055 0.016 11 0 "[ . 1 . 2]"
1 89 LEU 0.082 0.012 15 0 "[ . 1 . 2]"
1 90 TRP 0.040 0.009 12 0 "[ . 1 . 2]"
1 91 LEU 0.017 0.004 7 0 "[ . 1 . 2]"
1 92 PHE 0.010 0.008 12 0 "[ . 1 . 2]"
1 93 LEU 0.052 0.012 15 0 "[ . 1 . 2]"
1 94 GLU 0.017 0.007 15 0 "[ . 1 . 2]"
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 LEU O 1 10 ASP H . . 2.000 1.924 1.800 1.998 0.000 1 0 "[ . 1 . 2]" 4
2 1 6 LEU O 1 10 ASP N . 2.700 3.000 2.824 2.744 2.944 . 0 0 "[ . 1 . 2]" 4
3 1 7 SER O 1 11 ASP H . . 2.000 1.916 1.802 2.000 . 0 0 "[ . 1 . 2]" 4
4 1 7 SER O 1 11 ASP N . 2.700 3.000 2.781 2.722 2.927 . 0 0 "[ . 1 . 2]" 4
5 1 8 ARG O 1 12 ALA H . . 2.000 1.907 1.801 1.995 . 0 0 "[ . 1 . 2]" 4
6 1 8 ARG O 1 12 ALA N . 2.700 3.000 2.843 2.753 2.978 . 0 0 "[ . 1 . 2]" 4
7 1 9 VAL O 1 13 VAL H . . 2.000 1.919 1.808 1.999 . 0 0 "[ . 1 . 2]" 4
8 1 9 VAL O 1 13 VAL N . 2.700 3.000 2.897 2.808 2.990 . 0 0 "[ . 1 . 2]" 4
9 1 10 ASP O 1 14 ALA H . . 2.000 1.942 1.801 2.001 0.001 13 0 "[ . 1 . 2]" 4
10 1 10 ASP O 1 14 ALA N . 2.700 3.000 2.813 2.703 2.877 . 0 0 "[ . 1 . 2]" 4
11 1 11 ASP O 1 15 ALA H . . 2.000 1.929 1.809 2.009 0.009 14 0 "[ . 1 . 2]" 4
12 1 11 ASP O 1 15 ALA N . 2.700 3.000 2.808 2.699 2.913 0.001 16 0 "[ . 1 . 2]" 4
13 1 20 LEU O 1 24 ALA H . . 2.000 1.867 1.797 2.003 0.003 8 0 "[ . 1 . 2]" 4
14 1 20 LEU O 1 24 ALA N . 2.700 3.000 2.814 2.704 2.979 . 0 0 "[ . 1 . 2]" 4
15 1 21 GLY O 1 25 ALA H . . 2.000 1.920 1.797 2.022 0.022 14 0 "[ . 1 . 2]" 4
16 1 21 GLY O 1 25 ALA N . 2.700 3.000 2.844 2.690 3.006 0.010 11 0 "[ . 1 . 2]" 4
17 1 22 GLU O 1 26 CYS H . . 2.000 1.908 1.798 2.006 0.006 19 0 "[ . 1 . 2]" 4
18 1 22 GLU O 1 26 CYS N . 2.700 3.000 2.839 2.699 2.972 0.001 15 0 "[ . 1 . 2]" 4
19 1 23 TYR O 1 27 GLN H . . 2.000 1.974 1.882 2.005 0.005 8 0 "[ . 1 . 2]" 4
20 1 23 TYR O 1 27 GLN N . 2.700 3.000 2.734 2.694 2.839 0.006 4 0 "[ . 1 . 2]" 4
21 1 24 ALA O 1 28 SER H . . 2.000 1.890 1.794 2.004 0.006 18 0 "[ . 1 . 2]" 4
22 1 24 ALA O 1 28 SER N . 2.700 3.000 2.822 2.691 2.959 0.009 4 0 "[ . 1 . 2]" 4
23 1 25 ALA O 1 29 HIS H . . 2.000 1.944 1.791 2.010 0.010 4 0 "[ . 1 . 2]" 4
24 1 25 ALA O 1 29 HIS N . 2.700 3.000 2.846 2.703 2.979 . 0 0 "[ . 1 . 2]" 4
25 1 26 CYS O 1 30 ALA H . . 2.000 1.987 1.889 2.013 0.013 19 0 "[ . 1 . 2]" 4
26 1 26 CYS O 1 30 ALA N . 2.700 3.000 2.934 2.848 2.975 . 0 0 "[ . 1 . 2]" 4
27 1 27 GLN O 1 31 PHE H . . 2.000 1.935 1.793 2.006 0.007 14 0 "[ . 1 . 2]" 4
28 1 27 GLN O 1 31 PHE N . 2.700 3.000 2.900 2.697 2.999 0.003 4 0 "[ . 1 . 2]" 4
29 1 28 SER O 1 32 MET H . . 2.000 1.888 1.802 2.003 0.003 14 0 "[ . 1 . 2]" 4
30 1 28 SER O 1 32 MET N . 2.700 3.000 2.797 2.694 2.975 0.006 3 0 "[ . 1 . 2]" 4
31 1 29 HIS O 1 33 LYS H . . 2.000 1.918 1.795 2.013 0.013 4 0 "[ . 1 . 2]" 4
32 1 29 HIS O 1 33 LYS N . 2.700 3.000 2.819 2.699 3.001 0.001 1 0 "[ . 1 . 2]" 4
33 1 30 ALA O 1 34 GLY H . . 2.000 1.973 1.814 2.009 0.009 19 0 "[ . 1 . 2]" 4
34 1 30 ALA O 1 34 GLY N . 2.700 3.000 2.932 2.770 2.999 . 0 0 "[ . 1 . 2]" 4
35 1 31 PHE O 1 35 VAL H . . 2.000 1.890 1.788 2.014 0.014 20 0 "[ . 1 . 2]" 4
36 1 31 PHE O 1 35 VAL N . 2.700 3.000 2.865 2.717 3.000 . 10 0 "[ . 1 . 2]" 4
37 1 32 MET O 1 36 PHE H . . 2.000 1.969 1.806 2.024 0.024 4 0 "[ . 1 . 2]" 4
38 1 32 MET O 1 36 PHE N . 2.700 3.000 2.825 2.697 2.961 0.003 12 0 "[ . 1 . 2]" 4
39 1 33 LYS O 1 37 THR H . . 2.000 1.942 1.785 2.022 0.022 19 0 "[ . 1 . 2]" 4
40 1 33 LYS O 1 37 THR N . 2.700 3.000 2.880 2.711 2.970 . 0 0 "[ . 1 . 2]" 4
41 1 34 GLY O 1 38 PHE H . . 2.000 2.008 1.995 2.022 0.022 18 0 "[ . 1 . 2]" 4
42 1 34 GLY O 1 38 PHE N . 2.700 3.000 2.920 2.861 2.966 . 0 0 "[ . 1 . 2]" 4
43 1 35 VAL O 1 39 VAL H . . 2.000 1.818 1.767 2.004 0.033 17 0 "[ . 1 . 2]" 4
44 1 35 VAL O 1 39 VAL N . 2.700 3.000 2.782 2.696 2.917 0.004 11 0 "[ . 1 . 2]" 4
45 1 36 PHE O 1 40 THR H . . 2.000 1.997 1.954 2.016 0.016 4 0 "[ . 1 . 2]" 4
46 1 36 PHE O 1 40 THR N . 2.700 3.000 2.880 2.769 2.990 . 0 0 "[ . 1 . 2]" 4
47 1 43 GLY O 1 47 GLY H . . 2.000 1.929 1.783 2.021 0.021 19 0 "[ . 1 . 2]" 4
48 1 43 GLY O 1 47 GLY N . 2.700 3.000 2.821 2.681 2.971 0.019 20 0 "[ . 1 . 2]" 4
49 1 44 MET O 1 48 LEU H . . 2.000 1.951 1.792 2.027 0.027 17 0 "[ . 1 . 2]" 4
50 1 44 MET O 1 48 LEU N . 2.700 3.000 2.880 2.684 2.990 0.016 19 0 "[ . 1 . 2]" 4
51 1 45 ALA O 1 49 GLN H . . 2.000 2.004 1.970 2.029 0.029 16 0 "[ . 1 . 2]" 4
52 1 45 ALA O 1 49 GLN N . 2.700 3.000 2.990 2.916 3.007 0.007 14 0 "[ . 1 . 2]" 4
53 1 46 PHE O 1 50 MET H . . 2.000 1.898 1.794 2.010 0.010 7 0 "[ . 1 . 2]" 4
54 1 46 PHE O 1 50 MET N . 2.700 3.000 2.768 2.698 2.889 0.002 17 0 "[ . 1 . 2]" 4
55 1 47 GLY O 1 51 PHE H . . 2.000 1.903 1.797 2.010 0.010 8 0 "[ . 1 . 2]" 4
56 1 47 GLY O 1 51 PHE N . 2.700 3.000 2.839 2.704 2.954 . 0 0 "[ . 1 . 2]" 4
57 1 48 LEU O 1 52 ILE H . . 2.000 1.998 1.797 2.032 0.032 14 0 "[ . 1 . 2]" 4
58 1 48 LEU O 1 52 ILE N . 2.700 3.000 2.955 2.743 3.010 0.010 16 0 "[ . 1 . 2]" 4
59 1 49 GLN O 1 53 GLN H . . 2.000 1.906 1.797 2.007 0.007 20 0 "[ . 1 . 2]" 4
60 1 49 GLN O 1 53 GLN N . 2.700 3.000 2.765 2.681 2.947 0.019 4 0 "[ . 1 . 2]" 4
61 1 50 MET O 1 54 ARG H . . 2.000 2.028 1.919 2.063 0.063 19 0 "[ . 1 . 2]" 4
62 1 50 MET O 1 54 ARG N . 2.700 3.000 2.676 2.622 2.829 0.078 14 0 "[ . 1 . 2]" 4
63 1 62 TRP O 1 66 VAL H . . 2.000 1.866 1.790 2.003 0.010 18 0 "[ . 1 . 2]" 4
64 1 62 TRP O 1 66 VAL N . 2.700 3.000 2.762 2.696 2.854 0.004 17 0 "[ . 1 . 2]" 4
65 1 63 SER O 1 67 ALA H . . 2.000 1.950 1.858 2.007 0.007 16 0 "[ . 1 . 2]" 4
66 1 63 SER O 1 67 ALA N . 2.700 3.000 2.791 2.695 2.860 0.005 18 0 "[ . 1 . 2]" 4
67 1 64 LEU O 1 68 VAL H . . 2.000 1.918 1.828 2.001 0.001 9 0 "[ . 1 . 2]" 4
68 1 64 LEU O 1 68 VAL N . 2.700 3.000 2.703 2.682 2.764 0.018 8 0 "[ . 1 . 2]" 4
69 1 65 LEU O 1 69 VAL H . . 2.000 1.800 1.764 1.892 0.036 16 0 "[ . 1 . 2]" 4
70 1 65 LEU O 1 69 VAL N . 2.700 3.000 2.797 2.756 2.889 . 0 0 "[ . 1 . 2]" 4
71 1 66 VAL O 1 70 ALA H . . 2.000 1.785 1.769 1.792 0.031 12 0 "[ . 1 . 2]" 4
72 1 66 VAL O 1 70 ALA N . 2.700 3.000 2.698 2.681 2.754 0.019 12 0 "[ . 1 . 2]" 4
73 1 67 ALA O 1 71 GLY H . . 2.000 2.003 1.950 2.029 0.029 8 0 "[ . 1 . 2]" 4
74 1 67 ALA O 1 71 GLY N . 2.700 3.000 2.680 2.665 2.696 0.035 14 0 "[ . 1 . 2]" 4
75 1 68 VAL O 1 72 SER H . . 2.000 1.850 1.786 2.005 0.014 20 0 "[ . 1 . 2]" 4
76 1 68 VAL O 1 72 SER N . 2.700 3.000 2.704 2.681 2.800 0.019 12 0 "[ . 1 . 2]" 4
77 1 69 VAL O 1 73 VAL H . . 2.000 1.999 1.922 2.015 0.015 12 0 "[ . 1 . 2]" 4
78 1 69 VAL O 1 73 VAL N . 2.700 3.000 2.995 2.911 3.011 0.011 12 0 "[ . 1 . 2]" 4
79 1 70 ALA O 1 74 VAL H . . 2.000 1.796 1.778 1.897 0.022 8 0 "[ . 1 . 2]" 4
80 1 70 ALA O 1 74 VAL N . 2.700 3.000 2.744 2.696 2.798 0.004 8 0 "[ . 1 . 2]" 4
81 1 71 GLY O 1 75 SER H . . 2.000 1.989 1.941 2.011 0.011 19 0 "[ . 1 . 2]" 4
82 1 71 GLY O 1 75 SER N . 2.700 3.000 2.715 2.690 2.758 0.010 10 0 "[ . 1 . 2]" 4
83 1 72 SER O 1 76 TYR H . . 2.000 1.906 1.782 2.007 0.018 20 0 "[ . 1 . 2]" 4
84 1 72 SER O 1 76 TYR N . 2.700 3.000 2.817 2.706 2.940 . 0 0 "[ . 1 . 2]" 4
85 1 73 VAL O 1 77 GLY H . . 2.000 1.986 1.873 2.025 0.025 6 0 "[ . 1 . 2]" 4
86 1 73 VAL O 1 77 GLY N . 2.700 3.000 2.978 2.869 3.010 0.010 8 0 "[ . 1 . 2]" 4
87 1 74 VAL O 1 78 VAL H . . 2.000 1.784 1.761 1.846 0.039 9 0 "[ . 1 . 2]" 4
88 1 74 VAL O 1 78 VAL N . 2.700 3.000 2.737 2.690 2.785 0.010 16 0 "[ . 1 . 2]" 4
89 1 75 SER O 1 79 THR H . . 2.000 1.983 1.854 2.029 0.029 20 0 "[ . 1 . 2]" 4
90 1 75 SER O 1 79 THR N . 2.700 3.000 2.700 2.675 2.787 0.025 9 0 "[ . 1 . 2]" 4
91 1 76 TYR O 1 80 ARG H . . 2.000 2.005 1.944 2.029 0.029 12 0 "[ . 1 . 2]" 4
92 1 76 TYR O 1 80 ARG N . 2.700 3.000 2.829 2.765 2.905 . 0 0 "[ . 1 . 2]" 4
93 1 77 GLY O 1 81 VAL H . . 2.000 2.016 1.999 2.032 0.032 9 0 "[ . 1 . 2]" 4
94 1 77 GLY O 1 81 VAL N . 2.700 3.000 2.988 2.953 3.003 0.003 8 0 "[ . 1 . 2]" 4
95 1 78 VAL O 1 82 GLU H . . 2.000 1.812 1.774 1.953 0.026 9 0 "[ . 1 . 2]" 4
96 1 78 VAL O 1 82 GLU N . 2.700 3.000 2.716 2.675 2.828 0.025 14 0 "[ . 1 . 2]" 4
97 1 79 THR O 1 83 SER H . . 2.000 1.961 1.829 2.031 0.031 20 0 "[ . 1 . 2]" 4
98 1 79 THR O 1 83 SER N . 2.700 3.000 2.728 2.686 2.784 0.014 9 0 "[ . 1 . 2]" 4
99 1 80 ARG O 1 84 GLU H . . 2.000 2.012 2.002 2.024 0.024 12 0 "[ . 1 . 2]" 4
100 1 80 ARG O 1 84 GLU N . 2.700 3.000 2.982 2.948 3.008 0.008 11 0 "[ . 1 . 2]" 4
101 1 81 VAL O 1 85 LYS H . . 2.000 1.992 1.796 2.044 0.044 9 0 "[ . 1 . 2]" 4
102 1 81 VAL O 1 85 LYS N . 2.700 3.000 2.961 2.789 3.001 0.001 13 0 "[ . 1 . 2]" 4
103 1 82 GLU O 1 86 CYS H . . 2.000 1.880 1.797 1.990 0.003 10 0 "[ . 1 . 2]" 4
104 1 82 GLU O 1 86 CYS N . 2.700 3.000 2.682 2.663 2.700 0.037 9 0 "[ . 1 . 2]" 4
105 1 83 SER O 1 87 ASN H . . 2.000 1.865 1.795 2.007 0.007 20 0 "[ . 1 . 2]" 4
106 1 83 SER O 1 87 ASN N . 2.700 3.000 2.752 2.691 2.889 0.009 12 0 "[ . 1 . 2]" 4
107 1 84 GLU O 1 88 ASN H . . 2.000 1.986 1.934 2.016 0.016 11 0 "[ . 1 . 2]" 4
108 1 84 GLU O 1 88 ASN N . 2.700 3.000 2.952 2.908 3.000 0.000 11 0 "[ . 1 . 2]" 4
109 1 85 LYS O 1 89 LEU H . . 2.000 1.836 1.792 1.982 0.008 19 0 "[ . 1 . 2]" 4
110 1 85 LYS O 1 89 LEU N . 2.700 3.000 2.758 2.698 2.946 0.002 11 0 "[ . 1 . 2]" 4
111 1 86 CYS O 1 90 TRP H . . 2.000 1.914 1.791 2.006 0.009 12 0 "[ . 1 . 2]" 4
112 1 86 CYS O 1 90 TRP N . 2.700 3.000 2.813 2.699 2.939 0.001 15 0 "[ . 1 . 2]" 4
113 1 87 ASN O 1 91 LEU H . . 2.000 1.924 1.798 2.004 0.004 7 0 "[ . 1 . 2]" 4
114 1 87 ASN O 1 91 LEU N . 2.700 3.000 2.845 2.698 2.948 0.002 3 0 "[ . 1 . 2]" 4
115 1 88 ASN O 1 92 PHE H . . 2.000 1.952 1.836 2.008 0.008 12 0 "[ . 1 . 2]" 4
116 1 88 ASN O 1 92 PHE N . 2.700 3.000 2.860 2.740 2.944 . 0 0 "[ . 1 . 2]" 4
117 1 89 LEU O 1 93 LEU H . . 2.000 1.813 1.788 1.904 0.012 15 0 "[ . 1 . 2]" 4
118 1 89 LEU O 1 93 LEU N . 2.700 3.000 2.767 2.692 2.868 0.008 16 0 "[ . 1 . 2]" 4
119 1 90 TRP O 1 94 GLU H . . 2.000 1.925 1.796 2.007 0.007 15 0 "[ . 1 . 2]" 4
120 1 90 TRP O 1 94 GLU N . 2.700 3.000 2.830 2.699 2.975 0.001 4 0 "[ . 1 . 2]" 4
stop_
save_
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