NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
380836 |
1imu   |
5055 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1imu
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 43
_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
;
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 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LYS 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 44 VAL O 1 47 GLY N 2.800 2.300 3.300 2.717 2.595 2.759 . 0 0 "[ . 1 . 2]" 1
2 1 24 LEU O 1 28 GLY N 2.800 2.300 3.300 2.756 2.719 2.798 . 0 0 "[ . 1 . 2]" 1
3 1 23 ARG O 1 27 LEU N 2.800 2.300 3.300 2.722 2.646 2.751 . 0 0 "[ . 1 . 2]" 1
4 1 22 GLU O 1 26 LYS N 2.800 2.300 3.300 2.717 2.598 2.755 . 0 0 "[ . 1 . 2]" 1
5 1 21 GLU O 1 25 ALA N 2.800 2.300 3.300 2.732 2.607 2.764 . 0 0 "[ . 1 . 2]" 1
6 1 20 LEU O 1 24 LEU N 2.800 2.300 3.300 2.820 2.734 2.954 . 0 0 "[ . 1 . 2]" 1
7 1 19 HIS O 1 23 ARG N 2.800 2.300 3.300 2.597 2.516 2.723 . 0 0 "[ . 1 . 2]" 1
8 1 18 GLU O 1 22 GLU N 2.800 2.300 3.300 2.606 2.564 2.683 . 0 0 "[ . 1 . 2]" 1
9 1 17 ARG O 1 21 GLU N 2.800 2.300 3.300 2.760 2.725 2.803 . 0 0 "[ . 1 . 2]" 1
10 1 16 ILE O 1 20 LEU N 2.800 2.300 3.300 2.539 2.442 2.644 . 0 0 "[ . 1 . 2]" 1
11 1 15 ALA O 1 19 HIS N 2.800 2.300 3.300 2.627 2.555 2.750 . 0 0 "[ . 1 . 2]" 1
12 1 87 LYS O 1 91 LYS N 2.800 2.300 3.300 2.565 2.482 2.627 . 0 0 "[ . 1 . 2]" 1
13 1 86 ASN O 1 90 HIS N 2.800 2.300 3.300 2.617 2.525 2.710 . 0 0 "[ . 1 . 2]" 1
14 1 85 LEU O 1 89 GLN N 2.800 2.300 3.300 2.848 2.765 2.965 . 0 0 "[ . 1 . 2]" 1
15 1 84 GLN O 1 88 LEU N 2.800 2.300 3.300 2.690 2.581 2.806 . 0 0 "[ . 1 . 2]" 1
16 1 83 ARG O 1 87 LYS N 2.800 2.300 3.300 2.790 2.722 2.837 . 0 0 "[ . 1 . 2]" 1
17 1 82 GLU O 1 86 ASN N 2.800 2.300 3.300 2.747 2.714 2.778 . 0 0 "[ . 1 . 2]" 1
18 1 81 LEU O 1 85 LEU N 2.800 2.300 3.300 2.776 2.742 2.807 . 0 0 "[ . 1 . 2]" 1
19 1 80 LYS O 1 84 GLN N 2.800 2.300 3.300 2.745 2.714 2.778 . 0 0 "[ . 1 . 2]" 1
20 1 79 GLU O 1 83 ARG N 2.800 2.300 3.300 2.695 2.617 2.724 . 0 0 "[ . 1 . 2]" 1
21 1 78 GLU O 1 82 GLU N 2.800 2.300 3.300 2.709 2.662 2.748 . 0 0 "[ . 1 . 2]" 1
22 1 77 VAL O 1 81 LEU N 2.800 2.300 3.300 2.644 2.564 2.760 . 0 0 "[ . 1 . 2]" 1
23 1 76 GLU O 1 80 LYS N 2.800 2.300 3.300 2.802 2.764 2.855 . 0 0 "[ . 1 . 2]" 1
24 1 74 ILE O 1 78 GLU N 2.800 2.300 3.300 2.784 2.757 2.829 . 0 0 "[ . 1 . 2]" 1
25 1 73 ALA O 1 77 VAL N 2.800 2.300 3.300 2.752 2.716 2.785 . 0 0 "[ . 1 . 2]" 1
26 1 72 LYS O 1 76 GLU N 2.800 2.300 3.300 2.487 2.463 2.512 . 0 0 "[ . 1 . 2]" 1
27 1 70 MET O 1 74 ILE N 2.800 2.300 3.300 2.877 2.830 2.957 . 0 0 "[ . 1 . 2]" 1
28 1 48 PHE O 1 67 SER N 2.800 2.300 3.300 2.832 2.783 2.884 . 0 0 "[ . 1 . 2]" 1
29 1 48 PHE N 1 67 SER O 2.800 2.300 3.300 2.489 2.441 2.549 . 0 0 "[ . 1 . 2]" 1
30 1 50 VAL O 1 65 ALA N 2.800 2.300 3.300 2.695 2.629 2.774 . 0 0 "[ . 1 . 2]" 1
31 1 50 VAL N 1 65 ALA O 2.800 2.300 3.300 2.727 2.681 2.766 . 0 0 "[ . 1 . 2]" 1
32 1 52 ALA O 1 63 ALA N 2.800 2.300 3.300 2.737 2.701 2.774 . 0 0 "[ . 1 . 2]" 1
33 1 52 ALA N 1 63 ALA O 2.800 2.300 3.300 2.737 2.690 2.767 . 0 0 "[ . 1 . 2]" 1
34 1 54 ILE O 1 61 LEU N 2.800 2.300 3.300 2.520 2.417 2.596 . 0 0 "[ . 1 . 2]" 1
35 1 54 ILE N 1 61 LEU O 2.800 2.300 3.300 2.634 2.441 2.729 . 0 0 "[ . 1 . 2]" 1
36 1 56 THR O 1 59 GLY N 2.800 2.300 3.300 2.657 2.559 2.731 . 0 0 "[ . 1 . 2]" 1
37 1 40 VAL O 1 51 GLU N 2.800 2.300 3.300 2.707 2.584 2.753 . 0 0 "[ . 1 . 2]" 1
38 1 40 VAL N 1 51 GLU O 2.800 2.300 3.300 2.577 2.491 2.765 . 0 0 "[ . 1 . 2]" 1
39 1 44 VAL N 1 47 GLY O 2.800 2.300 3.300 2.599 2.506 2.754 . 0 0 "[ . 1 . 2]" 1
40 1 42 ASN O 1 49 SER N 2.800 2.300 3.300 2.752 2.687 2.802 . 0 0 "[ . 1 . 2]" 1
41 1 42 ASN N 1 49 SER O 2.800 2.300 3.300 2.587 2.480 2.776 . 0 0 "[ . 1 . 2]" 1
42 1 4 ASN N 1 37 PRO O 2.800 2.300 3.300 2.736 2.624 2.819 . 0 0 "[ . 1 . 2]" 1
43 1 4 ASN O 1 39 PHE N 2.800 2.300 3.300 2.798 2.750 2.830 . 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 45
_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 4 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LYS 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 56 THR OG1 1 58 LEU H 2.000 . 2.500 2.209 2.142 2.313 . 0 0 "[ . 1 . 2]" 2
2 1 56 THR OG1 1 58 LEU N 2.800 2.300 3.300 2.936 2.900 3.008 . 0 0 "[ . 1 . 2]" 2
3 1 44 VAL O 1 47 GLY H 2.000 . 2.500 1.833 1.760 2.034 . 0 0 "[ . 1 . 2]" 2
4 1 24 LEU O 1 28 GLY H 2.000 . 2.500 2.174 2.094 2.230 . 0 0 "[ . 1 . 2]" 2
5 1 23 ARG O 1 27 LEU H 2.000 . 2.500 1.863 1.786 1.919 . 0 0 "[ . 1 . 2]" 2
6 1 22 GLU O 1 26 LYS H 2.000 . 2.500 1.926 1.735 1.994 . 0 0 "[ . 1 . 2]" 2
7 1 21 GLU O 1 25 ALA H 2.000 . 2.500 1.762 1.638 1.799 . 0 0 "[ . 1 . 2]" 2
8 1 20 LEU O 1 24 LEU H 2.000 . 2.500 1.894 1.771 2.030 . 0 0 "[ . 1 . 2]" 2
9 1 19 HIS O 1 23 ARG H 2.000 . 2.500 1.663 1.586 1.786 . 0 0 "[ . 1 . 2]" 2
10 1 18 GLU O 1 22 GLU H 2.000 . 2.500 1.686 1.644 1.748 . 0 0 "[ . 1 . 2]" 2
11 1 17 ARG O 1 21 GLU H 2.000 . 2.500 1.825 1.787 1.880 . 0 0 "[ . 1 . 2]" 2
12 1 16 ILE O 1 20 LEU H 2.000 . 2.500 1.672 1.585 1.767 . 0 0 "[ . 1 . 2]" 2
13 1 15 ALA O 1 19 HIS H 2.000 . 2.500 1.714 1.629 1.822 . 0 0 "[ . 1 . 2]" 2
14 1 87 LYS O 1 91 LYS H 2.000 . 2.500 1.641 1.568 1.700 . 0 0 "[ . 1 . 2]" 2
15 1 86 ASN O 1 90 HIS H 2.000 . 2.500 1.902 1.778 2.042 . 0 0 "[ . 1 . 2]" 2
16 1 85 LEU O 1 89 GLN H 2.000 . 2.500 1.882 1.805 2.004 . 0 0 "[ . 1 . 2]" 2
17 1 84 GLN O 1 88 LEU H 2.000 . 2.500 1.754 1.635 1.912 . 0 0 "[ . 1 . 2]" 2
18 1 83 ARG O 1 87 LYS H 2.000 . 2.500 1.931 1.798 2.010 . 0 0 "[ . 1 . 2]" 2
19 1 82 GLU O 1 86 ASN H 2.000 . 2.500 1.792 1.750 1.832 . 0 0 "[ . 1 . 2]" 2
20 1 81 LEU O 1 85 LEU H 2.000 . 2.500 1.907 1.828 1.980 . 0 0 "[ . 1 . 2]" 2
21 1 80 LYS O 1 84 GLN H 2.000 . 2.500 1.811 1.759 1.903 . 0 0 "[ . 1 . 2]" 2
22 1 79 GLU O 1 83 ARG H 2.000 . 2.500 1.770 1.706 1.806 . 0 0 "[ . 1 . 2]" 2
23 1 78 GLU O 1 82 GLU H 2.000 . 2.500 1.799 1.739 1.859 . 0 0 "[ . 1 . 2]" 2
24 1 77 VAL O 1 81 LEU H 2.000 . 2.500 1.674 1.607 1.833 . 0 0 "[ . 1 . 2]" 2
25 1 76 GLU O 1 80 LYS H 2.000 . 2.500 1.903 1.862 1.979 . 0 0 "[ . 1 . 2]" 2
26 1 74 ILE O 1 78 GLU H 2.000 . 2.500 1.813 1.787 1.854 . 0 0 "[ . 1 . 2]" 2
27 1 73 ALA O 1 77 VAL H 2.000 . 2.500 1.781 1.745 1.819 . 0 0 "[ . 1 . 2]" 2
28 1 72 LYS O 1 76 GLU H 2.000 . 2.500 1.707 1.659 1.745 . 0 0 "[ . 1 . 2]" 2
29 1 70 MET O 1 74 ILE H 2.000 . 2.500 1.924 1.875 2.004 . 0 0 "[ . 1 . 2]" 2
30 1 48 PHE O 1 67 SER H 2.000 . 2.500 1.911 1.845 1.984 . 0 0 "[ . 1 . 2]" 2
31 1 48 PHE H 1 67 SER O 2.000 . 2.500 1.576 1.531 1.614 . 0 0 "[ . 1 . 2]" 2
32 1 50 VAL O 1 65 ALA H 2.000 . 2.500 1.783 1.704 1.905 . 0 0 "[ . 1 . 2]" 2
33 1 50 VAL H 1 65 ALA O 2.000 . 2.500 1.769 1.730 1.814 . 0 0 "[ . 1 . 2]" 2
34 1 52 ALA O 1 63 ALA H 2.000 . 2.500 1.902 1.840 1.986 . 0 0 "[ . 1 . 2]" 2
35 1 52 ALA H 1 63 ALA O 2.000 . 2.500 1.969 1.870 2.191 . 0 0 "[ . 1 . 2]" 2
36 1 54 ILE O 1 61 LEU H 2.000 . 2.500 1.750 1.580 2.017 . 0 0 "[ . 1 . 2]" 2
37 1 54 ILE H 1 61 LEU O 2.000 . 2.500 1.801 1.509 1.956 . 0 0 "[ . 1 . 2]" 2
38 1 56 THR O 1 59 GLY H 2.000 . 2.500 1.813 1.615 1.961 . 0 0 "[ . 1 . 2]" 2
39 1 40 VAL O 1 51 GLU H 2.000 . 2.500 1.909 1.726 2.110 . 0 0 "[ . 1 . 2]" 2
40 1 40 VAL H 1 51 GLU O 2.000 . 2.500 1.900 1.728 2.098 . 0 0 "[ . 1 . 2]" 2
41 1 44 VAL H 1 47 GLY O 2.000 . 2.500 1.864 1.684 2.329 . 0 0 "[ . 1 . 2]" 2
42 1 42 ASN O 1 49 SER H 2.000 . 2.500 2.145 2.026 2.331 . 0 0 "[ . 1 . 2]" 2
43 1 42 ASN H 1 49 SER O 2.000 . 2.500 1.924 1.694 2.233 . 0 0 "[ . 1 . 2]" 2
44 1 4 ASN H 1 37 PRO O 2.000 . 2.500 1.802 1.689 2.033 . 0 0 "[ . 1 . 2]" 2
45 1 4 ASN O 1 39 PHE H 2.000 . 2.500 2.404 2.314 2.466 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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