NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
376117 |
1fcl   |
5152 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1fcl
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 189
_Distance_constraint_stats_list.Viol_count 591
_Distance_constraint_stats_list.Viol_total 3303.099
_Distance_constraint_stats_list.Viol_max 1.260
_Distance_constraint_stats_list.Viol_rms 0.0606
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0109
_Distance_constraint_stats_list.Viol_average_violations_only 0.1397
_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 3 PHE 10.010 0.291 38 0 "[ . 1 . 2 . 3 . 4]"
1 4 LYS 2.915 0.177 27 0 "[ . 1 . 2 . 3 . 4]"
1 5 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 6 ILE 0.828 0.081 27 0 "[ . 1 . 2 . 3 . 4]"
1 7 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 8 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 9 GLY 0.016 0.010 31 0 "[ . 1 . 2 . 3 . 4]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 11 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 12 LEU 0.039 0.014 21 0 "[ . 1 . 2 . 3 . 4]"
1 13 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 15 GLU 0.828 0.081 27 0 "[ . 1 . 2 . 3 . 4]"
1 18 THR 3.056 0.100 9 0 "[ . 1 . 2 . 3 . 4]"
1 19 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 21 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 22 ASP 10.909 0.798 13 14 "[ . 1* + .****2 . * *3****. -*4]"
1 23 ALA 13.424 0.798 13 14 "[ . 1* + .****2 . * *3****. -*4]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 25 THR 10.215 0.458 39 0 "[ . 1 . 2 . 3 . 4]"
1 26 ALA 2.515 0.078 34 0 "[ . 1 . 2 . 3 . 4]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 28 LYS 10.215 0.458 39 0 "[ . 1 . 2 . 3 . 4]"
1 29 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 30 LEU 8.012 0.159 36 0 "[ . 1 . 2 . 3 . 4]"
1 31 LYS 3.132 0.121 33 0 "[ . 1 . 2 . 3 . 4]"
1 32 GLN 3.132 0.121 33 0 "[ . 1 . 2 . 3 . 4]"
1 33 TYR 10.517 1.260 5 5 "[ + * 1 *. - 2 . 3 * . 4]"
1 34 ILE 0.880 0.880 14 1 "[ . 1 +. 2 . 3 . 4]"
1 35 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 36 ASP 10.517 1.260 5 5 "[ + * 1 *. - 2 . 3 * . 4]"
1 37 ASN 0.880 0.880 14 1 "[ . 1 +. 2 . 3 . 4]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 39 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 41 GLY 0.016 0.009 14 0 "[ . 1 . 2 . 3 . 4]"
1 42 GLU 8.289 0.427 24 0 "[ . 1 . 2 . 3 . 4]"
1 43 TRP 1.818 0.220 24 0 "[ . 1 . 2 . 3 . 4]"
1 44 THR 3.002 0.220 24 0 "[ . 1 . 2 . 3 . 4]"
1 45 TYR 7.587 0.170 39 0 "[ . 1 . 2 . 3 . 4]"
1 46 ASP 6.044 0.963 36 8 "[ . 1 . **2 *. 3** .+ -*]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 49 THR 0.232 0.059 24 0 "[ . 1 . 2 . 3 . 4]"
1 50 LYS 0.078 0.028 29 0 "[ . 1 . 2 . 3 . 4]"
1 51 THR 8.959 0.963 36 8 "[ . 1 . **2 *. 3** .+ -*]"
1 52 TRP 5.024 0.170 39 0 "[ . 1 . 2 . 3 . 4]"
1 53 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 54 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 55 THR 0.898 0.038 28 0 "[ . 1 . 2 . 3 . 4]"
1 56 GLU 0.016 0.009 14 0 "[ . 1 . 2 . 3 . 4]"
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 46 ASP QB 1 48 ALA MB 3.000 . 3.800 2.617 2.438 3.078 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 6 ILE MD 1 15 GLU QB 3.000 . 3.800 1.918 1.719 2.633 0.081 27 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 5 LEU HA 1 5 LEU HB3 3.000 . 3.300 2.998 2.991 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 9 GLY HA3 1 10 LYS H 3.000 . 3.300 2.939 2.831 3.058 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 23 ALA HA 1 26 ALA H 3.000 . 3.300 3.363 3.314 3.378 0.078 34 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 8 ASN HD21 1 53 THR MG 3.000 . 3.800 2.925 2.425 3.168 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 31 LYS HA 1 43 TRP HH2 3.000 . 3.300 1.957 1.923 1.986 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 6 ILE HA 1 6 ILE QG 3.000 . 3.300 2.844 2.759 2.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 7 ILE MG 1 54 VAL MG1 3.000 . 4.300 2.969 2.869 2.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 31 LYS HB2 1 32 GLN H 3.000 . 3.300 3.378 3.366 3.421 0.121 33 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 31 LYS HB2 1 31 LYS QE 3.000 . 3.300 3.135 3.128 3.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 30 LEU HA 1 33 TYR H 3.000 . 3.300 3.238 3.177 3.264 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 32 GLN H 1 32 GLN HA 3.000 . 3.300 2.832 2.815 2.838 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 32 GLN QB 1 33 TYR H 3.000 . 3.300 2.597 2.431 2.644 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 32 GLN HE21 1 32 GLN QG 3.000 . 3.300 2.324 2.210 2.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 30 LEU H 1 30 LEU HG 3.000 . 3.300 3.424 3.335 3.459 0.159 36 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 27 GLU HA 1 30 LEU MD2 3.000 . 3.800 3.291 3.256 3.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 18 THR HB 1 30 LEU HG 3.000 . 3.300 3.376 3.339 3.400 0.100 9 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 29 VAL H 1 30 LEU H 3.000 . 3.300 2.557 2.495 2.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 29 VAL MG1 1 30 LEU HA 3.000 . 3.800 3.242 3.205 3.254 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 27 GLU HA 1 30 LEU HG 3.000 . 3.300 2.738 2.438 2.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 30 LEU H 1 30 LEU MD2 3.000 . 3.800 2.039 1.924 2.106 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 30 LEU H 1 30 LEU QB 3.000 . 3.300 2.192 2.174 2.233 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 30 LEU H 1 30 LEU HA 3.000 . 3.300 2.866 2.840 2.873 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 30 LEU HA 1 33 TYR HB3 3.000 . 3.300 2.725 2.673 2.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 34 ILE QG 1 43 TRP HH2 3.000 . 3.300 2.577 2.422 2.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 34 ILE MD 1 43 TRP HZ2 3.000 . 3.800 3.205 3.187 3.222 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 34 ILE HB 1 43 TRP HZ2 3.000 . 3.300 2.829 2.727 2.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 34 ILE HB 1 34 ILE MD 3.000 . 3.800 3.203 3.193 3.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 34 ILE H 1 34 ILE QG 3.000 . 3.300 1.977 1.964 2.053 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 34 ILE QG 1 43 TRP HZ2 3.000 . 3.300 1.920 1.904 1.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 34 ILE HA 1 37 ASN QB 3.000 . 3.300 2.823 2.421 4.180 0.880 14 1 "[ . 1 +. 2 . 3 . 4]" 1
33 1 33 TYR HA 1 36 ASP QB 3.000 . 3.300 3.556 3.084 4.560 1.260 5 5 "[ + * 1 *. - 2 . 3 * . 4]" 1
34 1 35 ASN H 1 35 ASN QB 3.000 . 3.300 2.135 2.085 2.172 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 34 ILE HA 1 34 ILE QG 3.000 . 3.300 2.741 2.719 2.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 33 TYR H 1 33 TYR HB3 3.000 . 3.300 2.355 2.332 2.375 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 33 TYR H 1 33 TYR HA 3.000 . 3.300 2.889 2.879 2.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 33 TYR HA 1 33 TYR QD 3.000 . 3.300 2.693 2.656 2.720 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 33 TYR HA 1 33 TYR HB3 3.000 . 3.300 3.044 3.042 3.045 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 34 ILE H 1 34 ILE HB 3.000 . 3.300 2.368 2.353 2.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 34 ILE HA 1 34 ILE HB 3.000 . 3.300 3.035 3.034 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 33 TYR QD 1 34 ILE QG 3.000 . 3.300 2.661 2.653 2.678 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 33 TYR QD 1 34 ILE MD 3.000 . 3.800 2.822 2.622 2.840 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 33 TYR H 1 33 TYR HB2 3.000 . 3.300 2.536 2.513 2.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 29 VAL HB 1 30 LEU H 3.000 . 3.300 2.711 2.573 2.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 21 VAL H 1 21 VAL HA 3.000 . 3.300 2.850 2.837 2.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 20 ALA H 1 20 ALA HA 3.000 . 3.300 2.964 2.942 2.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 19 GLU QG 1 20 ALA H 3.000 . 3.300 2.954 2.947 2.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 19 GLU H 1 19 GLU HA 3.000 . 3.300 3.002 2.997 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 21 VAL H 1 22 ASP H 3.000 . 3.300 2.724 2.515 2.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 23 ALA H 1 23 ALA HA 3.000 . 3.300 2.861 2.851 2.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 3 PHE QD 1 23 ALA MB 3.000 . 3.800 2.669 2.492 2.830 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 22 ASP QB 1 23 ALA H . . 2.700 2.936 2.451 3.498 0.798 13 14 "[ . 1* + .****2 . * *3****. -*4]" 1
54 1 22 ASP H 1 22 ASP HA 3.000 . 3.300 2.963 2.931 2.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 18 THR MG 1 19 GLU H 3.000 . 3.800 2.216 1.966 2.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 9 GLY H 1 13 LYS QG 3.000 . 3.300 2.451 2.103 2.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 12 LEU H 1 12 LEU HG 3.000 . 3.300 2.605 2.255 3.314 0.014 21 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 12 LEU H 1 12 LEU QB 3.000 . 3.300 2.318 2.229 2.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 15 GLU H 1 15 GLU HA 3.000 . 3.300 2.993 2.932 3.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 18 THR H 1 18 THR MG 3.000 . 3.800 3.333 3.293 3.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 18 THR H 1 18 THR HA 3.000 . 3.300 2.967 2.959 2.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 18 THR HA 1 18 THR HB 3.000 . 3.300 2.934 2.913 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 23 ALA MB 1 24 ALA H 3.000 . 3.800 2.794 2.669 2.874 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 28 LYS H 1 28 LYS HA 3.000 . 3.300 2.888 2.877 2.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 28 LYS HA 1 28 LYS QG 3.000 . 3.300 2.520 2.401 2.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 25 THR HA 1 28 LYS QD 3.000 . 3.300 1.879 1.846 2.068 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 29 VAL HA 1 29 VAL HB 3.000 . 3.300 3.034 3.031 3.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 29 VAL H 1 29 VAL HA 3.000 . 3.300 2.901 2.884 2.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 26 ALA HA 1 29 VAL HB 3.000 . 3.300 2.822 2.712 3.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 28 LYS H 1 29 VAL H 3.000 . 3.300 2.628 2.527 2.690 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 28 LYS HB3 1 29 VAL H 4.000 . 5.000 3.461 2.736 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 28 LYS HB2 1 29 VAL H 4.000 . 5.000 2.548 2.333 4.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 25 THR HA 1 28 LYS HB2 3.000 . 3.300 3.555 3.318 3.758 0.458 39 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 25 THR HA 1 25 THR HB 3.000 . 3.300 3.036 3.026 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 22 ASP H 1 25 THR HB 3.000 . 3.300 2.621 2.444 2.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 23 ALA H 1 24 ALA H 3.000 . 3.300 2.672 2.572 2.723 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 23 ALA MB 1 45 TYR QE 4.000 . 5.500 2.988 2.350 3.403 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 25 THR HB 1 26 ALA H 3.000 . 3.300 2.451 2.399 2.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 26 ALA H 1 26 ALA MB 3.000 . 3.800 2.147 2.132 2.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 26 ALA H 1 26 ALA HA 3.000 . 3.300 2.841 2.837 2.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 25 THR MG 1 26 ALA HA 3.000 . 3.800 3.237 3.231 3.261 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 37 ASN QB 1 37 ASN HD21 3.000 . 3.300 2.258 2.210 2.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 3 PHE QD 1 50 LYS HB2 3.000 . 3.300 2.835 2.273 2.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 3 PHE HA 1 50 LYS HB2 3.000 . 3.300 3.116 2.728 3.328 0.028 29 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 49 THR H 1 49 THR MG 3.000 . 3.800 2.067 1.945 2.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 49 THR H 1 49 THR HB 3.000 . 3.300 3.171 3.072 3.359 0.059 24 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 50 LYS H 1 50 LYS HA 3.000 . 3.300 2.351 2.341 2.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 51 THR HA 1 51 THR HB 3.000 . 3.300 3.027 2.994 3.043 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 5 LEU HA 1 51 THR MG 3.000 . 3.800 3.188 3.075 3.233 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 4 LYS H 1 51 THR HA 3.000 . 3.300 2.567 2.352 2.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 50 LYS HA 1 50 LYS HB2 3.000 . 3.300 2.934 2.403 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 49 THR H 1 49 THR HA 3.000 . 3.300 2.988 2.943 3.001 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 47 ASP H 1 47 ASP HA 3.000 . 3.300 2.908 2.871 2.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 46 ASP QB 1 51 THR HB 3.000 . 3.300 2.693 1.977 4.263 0.963 36 8 "[ . 1 . **2 *. 3** .+ -*]" 1
95 1 46 ASP H 1 46 ASP QB 3.000 . 3.300 2.802 2.611 3.188 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 47 ASP H 1 47 ASP QB 3.000 . 3.300 2.273 1.976 2.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 48 ALA H 1 49 THR H 3.000 . 3.300 3.056 2.730 3.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 48 ALA MB 1 49 THR H 3.000 . 3.800 2.214 2.062 2.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 48 ALA H 1 48 ALA HA 3.000 . 3.300 2.827 2.786 2.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 47 ASP H 1 48 ALA H 3.000 . 3.300 2.636 2.424 2.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 52 TRP QB 1 52 TRP HD1 3.000 . 3.300 2.567 2.553 2.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 10 LYS H 1 56 GLU QB 3.000 . 3.300 2.471 2.155 2.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 9 GLY HA2 1 56 GLU QB 3.000 . 3.300 1.982 1.941 2.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 55 THR MG 1 56 GLU H 3.000 . 3.800 2.649 2.140 2.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 55 THR H 1 55 THR HB 3.000 . 3.300 2.583 2.499 2.646 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 56 GLU H 1 56 GLU HA 3.000 . 3.300 2.886 2.850 3.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 56 GLU H 1 56 GLU QB 3.000 . 3.300 2.107 1.988 2.356 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 8 ASN HD21 1 55 THR MG 3.000 . 3.800 3.116 2.956 3.170 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 34 ILE QG 1 54 VAL MG1 4.000 . 5.500 3.533 3.259 3.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 34 ILE MD 1 54 VAL MG1 4.000 . 6.000 1.931 1.866 2.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 52 TRP H 1 52 TRP QB 3.000 . 3.300 2.503 2.361 2.659 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 34 ILE MD 1 54 VAL MG2 2.500 . 3.700 1.960 1.856 2.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 8 ASN HB3 1 55 THR MG 3.000 . 3.800 2.138 2.031 2.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 8 ASN HB2 1 55 THR MG 2.500 . 3.200 3.150 2.470 3.173 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 43 TRP HD1 1 54 VAL HA 3.000 . 3.300 2.274 2.209 2.425 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 34 ILE QG 1 54 VAL MG2 3.000 . 3.800 2.880 2.861 2.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 46 ASP H 1 46 ASP HA 3.000 . 3.300 2.985 2.948 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 39 ILE MD 1 56 GLU QB 3.000 . 3.800 2.388 1.952 2.819 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 39 ILE H 1 39 ILE QG 3.000 . 3.300 2.621 2.535 2.861 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 40 ASP H 1 40 ASP HA 3.000 . 3.300 3.000 2.901 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 42 GLU H 1 42 GLU HA 3.000 . 3.300 3.001 2.997 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 41 GLY HA3 1 56 GLU HA 3.000 . 3.300 2.930 2.471 3.309 0.009 14 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 41 GLY H 1 41 GLY HA3 3.000 . 3.300 2.640 2.505 2.846 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 41 GLY H 1 41 GLY HA2 3.000 . 3.300 2.967 2.846 2.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 39 ILE HA 1 39 ILE MD 3.000 . 3.800 2.018 1.943 2.066 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 38 GLY QA 1 39 ILE H 3.000 . 3.300 2.778 2.599 2.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 37 ASN H 1 37 ASN QB 3.000 . 3.300 2.327 2.212 2.409 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 10 LYS H 1 39 ILE MD 3.000 . 3.800 2.771 2.508 3.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 39 ILE H 1 39 ILE HB 3.000 . 3.300 2.501 2.404 2.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 39 ILE HA 1 39 ILE HB 3.000 . 3.300 3.039 3.038 3.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 39 ILE H 1 39 ILE HA 3.000 . 3.300 3.001 2.995 3.005 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 37 ASN QB 1 39 ILE QG 3.000 . 3.300 2.293 2.153 2.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 42 GLU H 1 42 GLU HB2 3.000 . 3.300 2.402 2.249 2.518 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 45 TYR H 1 45 TYR QB 3.000 . 3.300 2.219 2.168 2.258 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 44 THR HB 1 45 TYR H 3.000 . 3.300 3.364 3.350 3.392 0.092 19 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 45 TYR HA 1 52 TRP HE3 3.000 . 3.300 3.426 3.399 3.470 0.170 39 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 45 TYR HA 1 52 TRP HA 4.000 . 5.000 2.416 2.252 2.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 43 TRP HA 1 44 THR H 3.000 . 3.300 2.494 2.383 3.520 0.220 24 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 43 TRP QB 1 43 TRP HD1 3.000 . 3.300 3.131 3.086 3.157 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 42 GLU HB2 1 55 THR HB 3.000 . 3.300 3.322 3.310 3.338 0.038 28 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 42 GLU HA 1 43 TRP HD1 3.000 . 3.300 3.334 3.315 3.368 0.068 28 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 42 GLU H 1 42 GLU HB3 3.000 . 3.300 3.447 3.164 3.727 0.427 24 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 43 TRP QB 1 43 TRP HE3 3.000 . 3.300 2.454 2.398 2.490 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 43 TRP H 1 43 TRP HD1 3.000 . 3.300 2.593 2.532 2.786 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 43 TRP H 1 43 TRP QB 3.000 . 3.300 2.279 2.231 2.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 5 LEU HA 1 5 LEU HB2 2.500 . 2.700 2.674 2.654 2.690 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 5 LEU H 1 5 LEU HB3 3.000 . 3.300 3.084 3.038 3.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 5 LEU H 1 5 LEU HB2 3.000 . 3.300 2.980 2.896 3.060 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 7 ILE HA 1 7 ILE QG 3.000 . 3.300 2.494 2.420 2.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 7 ILE HA 1 7 ILE MD 4.000 . 5.500 3.671 1.951 3.871 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 7 ILE H 1 7 ILE HB 3.000 . 3.300 2.387 2.362 2.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 7 ILE HA 1 7 ILE HB 3.000 . 3.300 3.039 3.035 3.041 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 5 LEU H 1 5 LEU HA 3.000 . 3.300 2.963 2.943 2.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 4 LYS H 1 4 LYS HB2 3.000 . 3.300 3.022 2.720 3.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 4 LYS H 1 4 LYS HB3 3.000 . 3.300 2.833 2.676 3.067 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 9 GLY HA3 1 12 LEU H 3.000 . 3.300 3.052 2.783 3.310 0.010 31 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 7 ILE MG 1 8 ASN H 3.000 . 3.800 3.052 2.891 3.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 7 ILE H 1 7 ILE QG 3.000 . 3.300 2.174 2.029 2.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 4 LYS HE3 1 4 LYS QG 3.000 . 3.300 2.124 1.983 2.644 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 5 LEU MD1 1 52 TRP HD1 3.000 . 3.800 3.222 3.203 3.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 5 LEU MD1 1 52 TRP HE3 3.000 . 3.800 3.331 3.305 3.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 4 LYS HE3 1 6 ILE QG 3.000 . 3.300 2.879 2.499 2.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 10 LYS QB 1 11 THR H 3.000 . 3.300 2.661 2.058 2.828 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 10 LYS H 1 10 LYS QG 3.000 . 3.300 2.017 1.960 2.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 6 ILE HB 1 6 ILE MD 3.000 . 3.800 3.202 3.198 3.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 6 ILE HA 1 6 ILE HB 3.000 . 3.300 3.032 3.026 3.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 5 LEU HB2 1 52 TRP QB 3.000 . 3.300 2.651 2.533 2.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 7 ILE H 1 7 ILE HA 3.000 . 3.300 2.946 2.915 2.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 5 LEU MD1 1 43 TRP HH2 4.000 . 5.500 3.289 3.113 3.433 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 5 LEU MD1 1 43 TRP HZ3 4.000 . 5.500 2.282 1.961 2.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 10 LYS H 1 11 THR H 3.000 . 3.300 2.788 2.753 3.061 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 5 LEU MD2 1 43 TRP HH2 4.000 . 5.500 3.654 3.355 3.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 4 LYS HB2 1 51 THR HA 3.000 . 3.300 3.363 3.097 3.477 0.177 27 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 3 PHE H 1 3 PHE QD 3.000 . 3.300 2.937 2.750 2.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 3 PHE HA 1 3 PHE QD 3.000 . 3.300 2.132 2.056 2.252 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 3 PHE QD 1 20 ALA MB 3.000 . 3.800 2.841 2.834 2.849 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 7 ILE HB 1 13 LYS HA 3.000 . 3.300 2.219 2.006 2.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 7 ILE HB 1 14 GLY H 3.000 . 3.300 2.654 2.382 2.804 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 7 ILE MD 1 33 TYR QD 4.000 . 5.500 3.428 2.552 3.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 3 PHE H 1 3 PHE HB3 3.000 . 3.300 3.548 3.534 3.591 0.291 38 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 8 ASN H 1 8 ASN HB2 3.000 . 3.300 2.273 2.183 2.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 7 ILE MD 1 37 ASN QB 4.000 . 5.500 4.020 3.828 4.166 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 3 PHE H 1 3 PHE HA 3.000 . 3.300 2.908 2.828 2.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 7 ILE MG 1 13 LYS HA 3.000 . 3.800 2.054 1.953 2.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 7 ILE MG 1 9 GLY H 3.000 . 3.800 2.261 2.122 2.435 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 12 LEU H 1 12 LEU HA 3.000 . 3.300 2.967 2.918 3.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 5 LEU MD2 1 43 TRP HZ3 4.000 . 5.500 3.719 3.373 4.081 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 3 PHE HA 1 3 PHE HB3 3.000 . 3.300 2.488 2.448 2.520 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 8 ASN HA 1 8 ASN HB3 3.000 . 3.300 2.624 2.523 2.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 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 118
_Distance_constraint_stats_list.Viol_count 465
_Distance_constraint_stats_list.Viol_total 1806.887
_Distance_constraint_stats_list.Viol_max 0.810
_Distance_constraint_stats_list.Viol_rms 0.0426
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0096
_Distance_constraint_stats_list.Viol_average_violations_only 0.0971
_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 THR 0.020 0.007 22 0 "[ . 1 . 2 . 3 . 4]"
1 2 THR 0.221 0.096 19 0 "[ . 1 . 2 . 3 . 4]"
1 3 PHE 0.354 0.073 19 0 "[ . 1 . 2 . 3 . 4]"
1 4 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 5 LEU 1.456 0.077 29 0 "[ . 1 . 2 . 3 . 4]"
1 6 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 7 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 8 ASN 7.014 0.810 29 1 "[ . 1 . 2 . +3 . 4]"
1 9 GLY 1.297 0.036 6 0 "[ . 1 . 2 . 3 . 4]"
1 10 LYS 4.482 0.118 27 0 "[ . 1 . 2 . 3 . 4]"
1 11 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 12 LEU 0.018 0.009 21 0 "[ . 1 . 2 . 3 . 4]"
1 13 LYS 0.005 0.005 23 0 "[ . 1 . 2 . 3 . 4]"
1 14 GLY 0.005 0.005 23 0 "[ . 1 . 2 . 3 . 4]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 17 THR 2.416 0.076 10 0 "[ . 1 . 2 . 3 . 4]"
1 18 THR 2.423 0.076 10 0 "[ . 1 . 2 . 3 . 4]"
1 19 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 21 VAL 0.930 0.064 7 0 "[ . 1 . 2 . 3 . 4]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 25 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 28 LYS 12.402 0.255 36 0 "[ . 1 . 2 . 3 . 4]"
1 29 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 31 LYS 18.582 0.328 33 0 "[ . 1 . 2 . 3 . 4]"
1 32 GLN 2.978 0.109 33 0 "[ . 1 . 2 . 3 . 4]"
1 33 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 34 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 35 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 39 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 42 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 43 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 44 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 45 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 49 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 50 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 51 THR 0.203 0.029 12 0 "[ . 1 . 2 . 3 . 4]"
1 52 TRP 1.496 0.051 23 0 "[ . 1 . 2 . 3 . 4]"
1 53 THR 6.104 0.810 29 1 "[ . 1 . 2 . +3 . 4]"
1 54 VAL 0.163 0.077 29 0 "[ . 1 . 2 . 3 . 4]"
1 55 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 56 GLU 0.388 0.020 18 0 "[ . 1 . 2 . 3 . 4]"
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 14 GLY H 1 14 GLY QA 2.500 . 2.700 2.436 2.416 2.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
2 1 14 GLY QA 1 15 GLU H 2.500 . 2.700 2.292 2.195 2.321 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
3 1 32 GLN HA 1 35 ASN QB 2.500 . 2.700 2.396 2.191 2.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
4 1 7 ILE MD 1 33 TYR QE 4.000 . 5.500 1.897 1.825 2.421 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
5 1 34 ILE HB 1 34 ILE QG 2.500 . 2.700 2.190 2.187 2.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
6 1 6 ILE HA 1 15 GLU HA 2.500 . 2.700 2.078 1.977 2.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
7 1 6 ILE HB 1 6 ILE QG 2.500 . 2.700 2.200 2.198 2.201 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
8 1 29 VAL H 1 29 VAL MG2 2.500 . 3.200 2.435 2.376 2.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
9 1 18 THR HB 1 30 LEU MD1 2.500 . 3.200 2.793 2.783 2.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
10 1 6 ILE HA 1 7 ILE H 2.500 . 2.700 2.222 2.193 2.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
11 1 35 ASN HA 1 35 ASN QB 2.500 . 2.700 2.425 2.416 2.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
12 1 29 VAL HB 1 30 LEU MD2 2.500 . 3.200 2.560 2.523 2.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
13 1 18 THR HB 1 30 LEU MD2 2.500 . 3.200 1.911 1.886 1.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
14 1 32 GLN HA 1 32 GLN QB 2.500 . 2.700 2.498 2.471 2.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
15 1 29 VAL HA 1 32 GLN QB 2.500 . 2.700 2.493 2.477 2.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
16 1 31 LYS HA 1 43 TRP HZ2 2.500 . 2.700 2.417 2.325 2.695 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
17 1 33 TYR HA 1 33 TYR HB2 2.500 . 2.700 2.452 2.440 2.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
18 1 31 LYS HE3 1 32 GLN HA 2.500 . 2.700 2.774 2.770 2.809 0.109 33 0 "[ . 1 . 2 . 3 . 4]" 2
19 1 33 TYR HB3 1 33 TYR QD 2.500 . 2.700 2.355 2.349 2.360 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
20 1 7 ILE HA 1 7 ILE MG 2.500 . 3.200 2.342 2.283 2.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
21 1 32 GLN H 1 32 GLN QB 2.500 . 2.700 2.050 1.969 2.098 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
22 1 32 GLN HA 1 32 GLN QG 2.500 . 2.700 2.153 2.009 2.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
23 1 7 ILE HA 1 8 ASN H 2.500 . 2.700 2.211 2.202 2.229 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
24 1 33 TYR HB2 1 33 TYR QD 2.500 . 2.700 2.458 2.448 2.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
25 1 30 LEU HA 1 30 LEU MD2 2.500 . 3.200 2.055 2.015 2.095 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
26 1 30 LEU MD1 1 30 LEU MD2 2.500 . 3.700 2.000 1.969 2.011 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
27 1 30 LEU HA 1 30 LEU MD1 2.500 . 3.200 2.348 2.223 2.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
28 1 34 ILE HA 1 34 ILE MD 2.500 . 3.200 2.165 2.100 2.291 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
29 1 31 LYS HA 1 34 ILE QG 2.500 . 2.700 2.531 2.512 2.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
30 1 31 LYS HA 1 31 LYS HB3 2.500 . 2.700 3.008 3.005 3.028 0.328 33 0 "[ . 1 . 2 . 3 . 4]" 2
31 1 28 LYS HA 1 31 LYS HB2 2.500 . 2.700 2.782 2.766 2.818 0.118 39 0 "[ . 1 . 2 . 3 . 4]" 2
32 1 28 LYS HA 1 31 LYS HB3 4.000 . 5.000 3.407 3.196 3.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
33 1 1 THR HA 1 2 THR H 2.500 . 2.700 2.424 2.207 2.707 0.007 22 0 "[ . 1 . 2 . 3 . 4]" 2
34 1 49 THR H 1 50 LYS H 2.500 . 2.700 2.441 1.993 2.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
35 1 50 LYS HA 1 50 LYS HB3 2.500 . 2.700 2.466 2.427 2.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
36 1 3 PHE HA 1 4 LYS H 2.500 . 2.700 2.432 2.211 2.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
37 1 51 THR HA 1 51 THR MG 2.500 . 3.200 2.237 2.099 2.434 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
38 1 51 THR HA 1 52 TRP H 2.500 . 2.700 2.563 2.445 2.729 0.029 12 0 "[ . 1 . 2 . 3 . 4]" 2
39 1 4 LYS HB2 1 4 LYS QG 2.500 . 2.700 2.358 2.279 2.421 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
40 1 4 LYS HB2 1 4 LYS QD 2.500 . 2.700 2.428 2.269 2.488 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
41 1 48 ALA H 1 48 ALA MB 2.500 . 3.200 2.047 1.994 2.098 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
42 1 3 PHE HB3 1 3 PHE QD 2.500 . 2.700 2.699 2.641 2.773 0.073 19 0 "[ . 1 . 2 . 3 . 4]" 2
43 1 54 VAL MG1 1 54 VAL MG2 2.500 . 3.700 2.003 1.905 2.056 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
44 1 55 THR HA 1 56 GLU H 2.500 . 2.700 2.235 2.205 2.304 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
45 1 2 THR H 1 2 THR HB 2.500 . 2.700 2.631 2.467 2.796 0.096 19 0 "[ . 1 . 2 . 3 . 4]" 2
46 1 3 PHE HB2 1 3 PHE QD 2.500 . 2.700 2.316 2.309 2.341 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
47 1 8 ASN HB2 1 53 THR MG 2.500 . 3.200 3.350 3.134 4.010 0.810 29 1 "[ . 1 . 2 . +3 . 4]" 2
48 1 53 THR HA 1 54 VAL H 2.500 . 2.700 2.529 2.476 2.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
49 1 5 LEU MD2 1 54 VAL MG1 2.500 . 3.700 1.842 1.723 1.952 0.077 29 0 "[ . 1 . 2 . 3 . 4]" 2
50 1 7 ILE HA 1 54 VAL MG1 2.500 . 3.200 1.896 1.852 1.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
51 1 46 ASP HA 1 47 ASP H 2.500 . 2.700 2.204 2.190 2.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
52 1 39 ILE MD 1 56 GLU QG 2.500 . 3.200 2.247 1.938 2.388 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
53 1 40 ASP HA 1 41 GLY H 2.500 . 2.700 2.250 2.208 2.361 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
54 1 41 GLY HA3 1 42 GLU H 2.500 . 2.700 2.323 2.222 2.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
55 1 5 LEU MD2 1 34 ILE MD 2.500 . 3.700 2.564 2.380 2.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
56 1 39 ILE HA 1 40 ASP H 2.500 . 2.700 2.477 2.308 2.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
57 1 38 GLY H 1 38 GLY QA 2.500 . 2.700 2.278 2.260 2.297 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
58 1 6 ILE HA 1 6 ILE MD 2.500 . 3.200 1.992 1.935 2.020 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
59 1 5 LEU MD1 1 52 TRP QB 2.500 . 3.200 1.768 1.749 1.780 0.051 23 0 "[ . 1 . 2 . 3 . 4]" 2
60 1 9 GLY HA3 1 39 ILE QG 2.500 . 2.700 2.418 2.409 2.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
61 1 44 THR HA 1 44 THR HB 2.500 . 2.700 2.470 2.340 2.646 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
62 1 44 THR HA 1 45 TYR H 2.500 . 2.700 2.201 2.189 2.214 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
63 1 45 TYR HA 1 46 ASP H 2.500 . 2.700 2.425 2.331 2.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
64 1 4 LYS HA 1 17 THR HA 2.500 . 2.700 2.117 1.978 2.349 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
65 1 43 TRP HH2 1 43 TRP HZ3 2.500 . 2.700 2.469 2.462 2.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
66 1 42 GLU HA 1 43 TRP H 2.500 . 2.700 2.201 2.193 2.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
67 1 5 LEU HB3 1 5 LEU HG 3.000 . 3.300 2.919 2.903 2.936 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
68 1 12 LEU HA 1 12 LEU QB 2.500 . 2.700 2.402 2.385 2.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
69 1 10 LYS HA 1 10 LYS QB 2.500 . 2.700 2.394 2.381 2.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
70 1 10 LYS H 1 10 LYS HA 2.500 . 2.700 2.812 2.808 2.818 0.118 27 0 "[ . 1 . 2 . 3 . 4]" 2
71 1 21 VAL HA 1 21 VAL QG 2.500 . 3.200 2.292 2.177 2.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
72 1 26 ALA HA 1 27 GLU H 4.000 . 5.000 3.583 3.575 3.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
73 1 21 VAL H 1 21 VAL QG 2.500 . 3.200 1.853 1.736 1.962 0.064 7 0 "[ . 1 . 2 . 3 . 4]" 2
74 1 17 THR HA 1 17 THR HB 2.500 . 2.700 2.512 2.458 2.559 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
75 1 10 LYS H 1 10 LYS QB 2.500 . 2.700 2.379 2.293 2.408 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
76 1 13 LYS HA 1 14 GLY H 2.500 . 2.700 2.634 2.531 2.705 0.005 23 0 "[ . 1 . 2 . 3 . 4]" 2
77 1 28 LYS HA 1 28 LYS HB3 3.000 . 3.300 2.542 2.483 2.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
78 1 28 LYS H 1 28 LYS HB3 3.000 . 3.300 3.394 1.954 3.555 0.255 36 0 "[ . 1 . 2 . 3 . 4]" 2
79 1 28 LYS HA 1 28 LYS HB2 3.000 . 3.300 2.972 2.295 3.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
80 1 28 LYS H 1 28 LYS HB2 3.000 . 3.300 2.484 2.317 3.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
81 1 9 GLY HA2 1 10 LYS H 2.500 . 2.700 2.325 2.239 2.403 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
82 1 10 LYS QG 1 56 GLU QB 2.500 . 2.700 2.148 2.118 2.161 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
83 1 17 THR HA 1 17 THR MG 2.500 . 3.200 2.342 2.282 2.412 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
84 1 9 GLY HA2 1 56 GLU H 2.500 . 2.700 2.710 2.696 2.720 0.020 18 0 "[ . 1 . 2 . 3 . 4]" 2
85 1 19 GLU HA 1 20 ALA H 2.500 . 2.700 2.219 2.212 2.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
86 1 10 LYS QE 1 10 LYS HG2 2.500 . 2.700 2.172 1.993 2.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
87 1 23 ALA H 1 23 ALA MB 2.500 . 3.200 2.021 1.944 2.144 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
88 1 25 THR HA 1 25 THR MG 2.500 . 3.200 2.524 2.516 2.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
89 1 24 ALA H 1 24 ALA MB 2.500 . 3.200 2.109 1.995 2.163 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
90 1 24 ALA MB 1 25 THR H 3.000 . 3.800 2.352 2.289 2.454 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
91 1 5 LEU HB3 1 16 THR MG 2.500 . 3.200 1.876 1.852 1.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
92 1 10 LYS HA 1 10 LYS QG 2.500 . 2.700 2.311 2.203 2.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
93 1 10 LYS QE 1 10 LYS QG 2.500 . 2.700 2.086 1.973 2.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
94 1 15 GLU HA 1 16 THR H 2.500 . 2.700 2.445 2.336 2.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
95 1 3 PHE QD 1 26 ALA MB 2.500 . 3.200 2.082 1.894 2.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
96 1 18 THR HB 1 26 ALA MB 2.500 . 3.200 2.790 2.777 2.815 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
97 1 3 PHE HB2 1 26 ALA MB 2.500 . 3.200 2.968 2.590 3.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
98 1 3 PHE HB3 1 26 ALA MB 3.000 . 3.800 3.401 2.979 3.612 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
99 1 22 ASP HA 1 23 ALA H 2.500 . 2.700 2.407 2.371 2.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
100 1 21 VAL QG 1 25 THR HB 2.500 . 3.200 2.403 2.393 2.412 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
101 1 21 VAL HA 1 21 VAL HB 2.500 . 2.700 2.484 2.472 2.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
102 1 19 GLU H 1 19 GLU QB 2.500 . 2.700 2.401 2.314 2.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
103 1 3 PHE HB2 1 18 THR MG 2.500 . 3.200 3.045 2.877 3.205 0.005 35 0 "[ . 1 . 2 . 3 . 4]" 2
104 1 12 LEU HA 1 12 LEU HG 2.500 . 2.700 2.621 2.261 2.709 0.009 21 0 "[ . 1 . 2 . 3 . 4]" 2
105 1 18 THR HA 1 19 GLU H 2.500 . 2.700 2.427 2.345 2.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
106 1 8 ASN HA 1 9 GLY H 2.500 . 2.700 2.723 2.705 2.736 0.036 6 0 "[ . 1 . 2 . 3 . 4]" 2
107 1 12 LEU HA 1 13 LYS H 2.500 . 2.700 2.274 2.216 2.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
108 1 29 VAL HA 1 29 VAL MG1 2.500 . 3.200 2.605 2.584 2.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
109 1 29 VAL HA 1 29 VAL MG2 2.500 . 3.200 2.231 2.101 2.302 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
110 1 29 VAL H 1 29 VAL HB 2.500 . 2.700 2.170 2.145 2.191 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
111 1 11 THR H 1 12 LEU H 2.500 . 2.700 2.022 1.974 2.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
112 1 3 PHE QD 1 18 THR MG 2.500 . 3.200 2.254 1.979 2.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
113 1 11 THR HA 1 11 THR MG 2.500 . 3.200 2.259 2.038 2.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
114 1 12 LEU QB 1 12 LEU MD1 2.500 . 3.200 2.036 1.961 2.140 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
115 1 18 THR MG 1 26 ALA HA 2.500 . 3.200 2.262 1.948 2.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
116 1 17 THR HA 1 18 THR H 2.500 . 2.700 2.377 2.360 2.385 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
117 1 17 THR HB 1 18 THR H 2.500 . 2.700 2.760 2.746 2.776 0.076 10 0 "[ . 1 . 2 . 3 . 4]" 2
118 1 9 GLY H 1 9 GLY HA3 2.500 . 2.700 2.374 2.359 2.391 . 0 0 "[ . 1 . 2 . 3 . 4]" 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 263
_Distance_constraint_stats_list.Viol_count 190
_Distance_constraint_stats_list.Viol_total 594.859
_Distance_constraint_stats_list.Viol_max 0.314
_Distance_constraint_stats_list.Viol_rms 0.0148
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0783
_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 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 2 THR 0.049 0.035 19 0 "[ . 1 . 2 . 3 . 4]"
1 3 PHE 0.043 0.038 36 0 "[ . 1 . 2 . 3 . 4]"
1 4 LYS 3.973 0.314 19 0 "[ . 1 . 2 . 3 . 4]"
1 5 LEU 4.023 0.294 34 0 "[ . 1 . 2 . 3 . 4]"
1 6 ILE 0.004 0.004 12 0 "[ . 1 . 2 . 3 . 4]"
1 7 ILE 0.121 0.024 7 0 "[ . 1 . 2 . 3 . 4]"
1 8 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 11 THR 0.383 0.128 9 0 "[ . 1 . 2 . 3 . 4]"
1 12 LEU 0.022 0.019 19 0 "[ . 1 . 2 . 3 . 4]"
1 13 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 14 GLY 0.004 0.004 12 0 "[ . 1 . 2 . 3 . 4]"
1 15 GLU 0.121 0.024 7 0 "[ . 1 . 2 . 3 . 4]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 17 THR 3.973 0.314 19 0 "[ . 1 . 2 . 3 . 4]"
1 18 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 19 GLU 0.049 0.035 19 0 "[ . 1 . 2 . 3 . 4]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 21 VAL 0.565 0.059 30 0 "[ . 1 . 2 . 3 . 4]"
1 22 ASP 0.565 0.059 30 0 "[ . 1 . 2 . 3 . 4]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 25 THR 0.319 0.018 30 0 "[ . 1 . 2 . 3 . 4]"
1 26 ALA 0.519 0.042 37 0 "[ . 1 . 2 . 3 . 4]"
1 27 GLU 4.023 0.294 34 0 "[ . 1 . 2 . 3 . 4]"
1 28 LYS 0.519 0.042 37 0 "[ . 1 . 2 . 3 . 4]"
1 29 VAL 0.319 0.018 30 0 "[ . 1 . 2 . 3 . 4]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 32 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 33 TYR 0.006 0.006 14 0 "[ . 1 . 2 . 3 . 4]"
1 34 ILE 0.006 0.006 14 0 "[ . 1 . 2 . 3 . 4]"
1 35 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 37 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 39 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 40 ASP 0.041 0.026 27 0 "[ . 1 . 2 . 3 . 4]"
1 41 GLY 0.003 0.003 34 0 "[ . 1 . 2 . 3 . 4]"
1 42 GLU 4.822 0.287 37 0 "[ . 1 . 2 . 3 . 4]"
1 43 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 44 THR 4.822 0.287 37 0 "[ . 1 . 2 . 3 . 4]"
1 45 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 49 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 50 LYS 0.043 0.038 36 0 "[ . 1 . 2 . 3 . 4]"
1 51 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 52 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 53 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 54 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 55 THR 0.003 0.003 34 0 "[ . 1 . 2 . 3 . 4]"
1 56 GLU 0.041 0.026 27 0 "[ . 1 . 2 . 3 . 4]"
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 42 GLU HG2 1 44 THR MG 4.000 . 5.500 4.581 4.338 4.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
2 1 42 GLU HG3 1 44 THR MG 4.000 . 5.500 5.504 4.403 5.787 0.287 37 0 "[ . 1 . 2 . 3 . 4]" 3
3 1 18 THR HB 1 29 VAL MG1 4.000 . 5.500 4.605 4.596 4.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
4 1 21 VAL HB 1 22 ASP QB 4.000 . 5.000 4.560 3.672 5.059 0.059 30 0 "[ . 1 . 2 . 3 . 4]" 3
5 1 21 VAL QG 1 22 ASP QB 4.000 . 5.500 2.382 2.175 2.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
6 1 9 GLY H 1 13 LYS QB 4.000 . 5.000 4.334 4.045 4.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
7 1 12 LEU MD1 1 38 GLY HA3 4.000 . 5.500 4.290 4.007 4.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
8 1 5 LEU HB2 1 6 ILE H 4.000 . 5.000 4.418 4.272 4.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
9 1 4 LYS HB3 1 51 THR HA 4.000 . 5.000 1.963 1.848 2.130 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
10 1 3 PHE HB2 1 4 LYS H 4.000 . 5.000 3.732 3.339 4.145 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
11 1 7 ILE MD 1 37 ASN HD21 4.000 . 5.500 3.130 2.380 4.363 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
12 1 51 THR HA 1 52 TRP HD1 4.000 . 5.000 3.317 3.119 3.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
13 1 46 ASP H 1 51 THR HB 4.000 . 5.000 4.209 3.787 4.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
14 1 6 ILE HB 1 54 VAL H 4.000 . 5.000 4.367 4.168 4.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
15 1 4 LYS H 1 52 TRP H 4.000 . 5.000 4.187 3.899 4.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
16 1 43 TRP HA 1 54 VAL HA 4.000 . 5.000 2.422 2.274 2.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
17 1 3 PHE H 1 19 GLU HA 4.000 . 5.000 3.516 3.232 3.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
18 1 8 ASN HD22 1 53 THR MG 4.000 . 5.500 2.870 2.507 3.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
19 1 6 ILE MG 1 8 ASN HD21 4.000 . 5.500 4.530 4.184 4.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
20 1 6 ILE MG 1 8 ASN HD22 4.000 . 5.500 3.434 3.051 3.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
21 1 43 TRP H 1 44 THR HG1 4.000 . 5.500 4.117 3.285 4.397 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
22 1 6 ILE H 1 6 ILE QG 4.000 . 5.000 2.545 2.447 2.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
23 1 4 LYS QE 1 17 THR MG 4.000 . 5.500 3.965 3.285 4.099 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
24 1 32 GLN HA 1 33 TYR H 4.000 . 5.000 3.556 3.551 3.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
25 1 48 ALA MB 1 50 LYS H 4.000 . 5.500 4.050 3.893 4.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
26 1 43 TRP HA 1 55 THR H 4.000 . 5.000 3.591 3.309 3.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
27 1 3 PHE HA 1 50 LYS HB3 4.000 . 5.000 3.555 2.868 5.038 0.038 36 0 "[ . 1 . 2 . 3 . 4]" 3
28 1 16 THR H 1 16 THR MG 4.000 . 5.500 2.420 2.285 2.509 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
29 1 16 THR HA 1 17 THR H 4.000 . 5.000 2.300 2.261 2.368 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
30 1 16 THR HA 1 17 THR HA 4.000 . 5.000 4.526 4.509 4.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
31 1 18 THR HB 1 19 GLU H 4.000 . 5.000 4.176 4.046 4.306 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
32 1 49 THR HB 1 50 LYS H 4.000 . 5.000 4.592 4.550 4.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
33 1 16 THR H 1 16 THR HB 4.000 . 5.000 3.388 3.304 3.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
34 1 49 THR MG 1 50 LYS H 4.000 . 5.500 3.484 3.281 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
35 1 49 THR MG 1 50 LYS HA 4.000 . 5.500 4.614 4.409 4.684 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
36 1 5 LEU H 1 5 LEU MD2 4.000 . 5.500 4.525 4.478 4.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
37 1 5 LEU MD2 1 6 ILE HB 4.000 . 5.500 4.594 4.492 4.619 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
38 1 5 LEU HA 1 6 ILE H 4.000 . 5.000 2.236 2.192 2.309 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
39 1 48 ALA H 1 49 THR MG 4.000 . 5.500 4.496 4.043 4.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
40 1 4 LYS HB2 1 4 LYS QE 4.000 . 5.000 3.981 3.718 4.117 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
41 1 4 LYS HB3 1 4 LYS QE 4.000 . 5.000 3.347 2.584 4.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
42 1 3 PHE QD 1 50 LYS HA 4.000 . 5.000 4.362 4.188 4.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
43 1 3 PHE QD 1 50 LYS HB3 4.000 . 5.000 2.415 1.986 4.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
44 1 49 THR HA 1 50 LYS H 4.000 . 5.000 2.920 2.804 3.086 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
45 1 47 ASP HA 1 48 ALA H 4.000 . 5.000 3.407 3.325 3.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
46 1 46 ASP QB 1 47 ASP H 4.000 . 5.000 3.332 3.234 3.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
47 1 46 ASP HA 1 48 ALA H 4.000 . 5.000 3.602 3.446 3.733 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
48 1 46 ASP QB 1 49 THR H 4.000 . 5.000 3.542 3.213 4.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
49 1 45 TYR QB 1 45 TYR QE 4.000 . 5.000 3.976 3.967 3.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
50 1 17 THR MG 1 18 THR H 4.000 . 5.500 3.821 3.696 3.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
51 1 4 LYS HB3 1 17 THR HA 4.000 . 5.000 5.095 4.956 5.314 0.314 19 0 "[ . 1 . 2 . 3 . 4]" 3
52 1 4 LYS QG 1 5 LEU H 4.000 . 5.000 2.221 2.082 2.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
53 1 4 LYS QE 1 6 ILE HA 4.000 . 5.000 4.441 3.980 4.490 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
54 1 4 LYS QG 1 16 THR H 4.000 . 5.000 3.253 2.996 4.138 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
55 1 17 THR H 1 17 THR MG 4.000 . 5.500 2.944 2.795 3.093 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
56 1 4 LYS HB2 1 5 LEU H 4.000 . 5.000 4.159 4.054 4.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
57 1 16 THR H 1 17 THR MG 4.000 . 5.500 3.526 3.449 3.646 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
58 1 4 LYS H 1 17 THR MG 4.000 . 5.500 4.106 3.861 4.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
59 1 47 ASP QB 1 48 ALA H 4.000 . 5.000 3.399 2.975 3.832 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
60 1 11 THR HA 1 12 LEU H 4.000 . 5.000 3.531 3.096 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
61 1 16 THR MG 1 17 THR HA 4.000 . 5.500 3.778 3.706 3.822 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
62 1 3 PHE H 1 18 THR MG 4.000 . 5.500 3.997 3.645 4.501 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
63 1 18 THR MG 1 19 GLU HA 4.000 . 5.500 3.470 3.395 3.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
64 1 17 THR HA 1 18 THR HB 4.000 . 5.000 3.855 3.838 3.877 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
65 1 44 THR HG1 1 53 THR HB 4.000 . 5.500 2.564 1.972 3.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
66 1 45 TYR QE 1 47 ASP QB 4.000 . 5.000 3.901 3.255 3.986 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
67 1 11 THR H 1 11 THR MG 4.000 . 5.500 3.807 3.053 3.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
68 1 18 THR H 1 18 THR HB 4.000 . 5.000 2.577 2.543 2.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
69 1 34 ILE HA 1 37 ASN H 4.000 . 5.000 3.362 3.219 3.771 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
70 1 43 TRP HD1 1 54 VAL MG1 4.000 . 5.500 4.750 4.725 4.769 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
71 1 43 TRP HD1 1 54 VAL MG2 4.000 . 5.500 2.947 2.742 3.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
72 1 43 TRP HZ2 1 54 VAL HB 4.000 . 5.000 3.773 3.576 4.019 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
73 1 43 TRP HE1 1 54 VAL MG1 4.000 . 5.500 4.160 4.074 4.262 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
74 1 43 TRP HE1 1 54 VAL MG2 4.000 . 5.500 1.833 1.817 1.846 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
75 1 11 THR H 1 12 LEU HA 4.000 . 5.000 4.780 4.692 5.019 0.019 19 0 "[ . 1 . 2 . 3 . 4]" 3
76 1 54 VAL H 1 54 VAL MG2 4.000 . 5.500 3.979 3.962 4.021 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
77 1 43 TRP HZ2 1 54 VAL MG2 4.000 . 5.500 2.651 2.453 2.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
78 1 42 GLU H 1 54 VAL MG2 4.000 . 5.500 4.120 3.992 4.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
79 1 7 ILE H 1 14 GLY H 4.000 . 5.000 3.208 2.953 3.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
80 1 8 ASN H 1 54 VAL H 4.000 . 5.000 3.524 3.186 3.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
81 1 8 ASN H 1 54 VAL MG1 4.000 . 5.500 2.018 1.916 2.775 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
82 1 7 ILE H 1 15 GLU HA 4.000 . 5.000 3.034 2.711 3.317 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
83 1 41 GLY H 1 54 VAL MG2 4.000 . 5.500 2.625 2.421 3.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
84 1 41 GLY HA3 1 54 VAL MG2 4.000 . 5.500 4.574 4.387 4.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
85 1 13 LYS HA 1 13 LYS QD 4.000 . 5.000 3.752 2.907 4.080 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
86 1 34 ILE HB 1 54 VAL MG2 4.000 . 5.500 4.000 3.933 4.094 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
87 1 9 GLY H 1 13 LYS HA 4.000 . 5.000 2.945 2.764 3.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
88 1 2 THR H 1 2 THR MG 4.000 . 5.500 3.583 1.980 3.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
89 1 2 THR MG 1 19 GLU QG 4.000 . 5.500 3.976 2.342 4.095 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
90 1 2 THR HA 1 3 PHE QD 4.000 . 5.000 4.435 4.245 4.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
91 1 55 THR H 1 55 THR MG 4.000 . 5.500 3.738 3.704 3.771 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
92 1 50 LYS H 1 51 THR H 4.000 . 5.000 2.912 2.746 3.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
93 1 1 THR HA 1 2 THR HA 4.000 . 5.000 4.510 4.403 4.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
94 1 12 LEU H 1 12 LEU MD1 4.000 . 5.500 3.131 1.972 4.082 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
95 1 40 ASP H 1 56 GLU HG3 4.000 . 5.000 4.259 3.207 5.026 0.026 27 0 "[ . 1 . 2 . 3 . 4]" 3
96 1 2 THR MG 1 18 THR H 4.000 . 5.500 3.062 2.413 4.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
97 1 8 ASN HD21 1 55 THR HA 4.000 . 5.000 3.975 3.750 4.330 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
98 1 54 VAL MG1 1 55 THR H 4.000 . 5.500 4.135 4.031 4.269 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
99 1 54 VAL MG2 1 55 THR H 4.000 . 5.500 3.652 3.471 3.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
100 1 54 VAL H 1 54 VAL QG 4.000 . 5.500 2.405 2.204 2.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
101 1 8 ASN H 1 55 THR HA 4.000 . 5.000 3.449 3.050 3.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
102 1 8 ASN HD22 1 55 THR MG 4.000 . 5.500 4.506 4.237 4.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
103 1 12 LEU QB 1 13 LYS H 4.000 . 5.000 3.015 2.618 3.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
104 1 7 ILE HA 1 13 LYS HA 4.000 . 5.000 4.303 4.169 4.622 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
105 1 8 ASN H 1 13 LYS HA 4.000 . 5.000 4.609 4.397 4.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
106 1 7 ILE HG13 1 54 VAL MG1 4.000 . 5.500 3.743 3.446 4.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
107 1 7 ILE HG12 1 54 VAL MG1 4.000 . 5.500 3.127 2.722 3.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
108 1 6 ILE H 1 51 THR MG 4.000 . 5.500 3.821 3.512 4.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
109 1 3 PHE HB3 1 4 LYS H 4.000 . 5.000 2.673 2.202 3.345 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
110 1 4 LYS H 1 51 THR MG 4.000 . 5.500 4.015 3.710 4.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
111 1 3 PHE QD 1 4 LYS H 4.000 . 5.000 3.795 3.625 4.020 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
112 1 46 ASP H 1 51 THR H 4.000 . 5.000 3.407 2.971 4.168 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
113 1 51 THR MG 1 52 TRP H 4.000 . 5.500 1.887 1.867 1.918 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
114 1 15 GLU QB 1 16 THR H 4.000 . 5.000 2.647 2.436 3.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
115 1 51 THR H 1 51 THR HB 4.000 . 5.000 2.543 2.288 2.815 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
116 1 50 LYS HA 1 51 THR H 4.000 . 5.000 2.776 2.566 3.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
117 1 48 ALA H 1 50 LYS H 4.000 . 5.000 3.938 3.731 4.258 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
118 1 45 TYR QE 1 50 LYS HB2 4.000 . 5.000 4.283 3.397 4.489 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
119 1 3 PHE QD 1 50 LYS HE2 4.000 . 5.000 4.116 2.652 4.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
120 1 49 THR H 1 50 LYS HA 4.000 . 5.000 4.389 4.051 4.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
121 1 50 LYS H 1 50 LYS HB2 4.000 . 5.000 3.604 3.496 3.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
122 1 3 PHE HB2 1 18 THR H 4.000 . 5.000 2.569 2.225 2.839 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
123 1 50 LYS H 1 50 LYS HB3 4.000 . 5.000 3.832 2.788 4.054 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
124 1 15 GLU HA 1 16 THR MG 4.000 . 5.500 3.340 3.285 3.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
125 1 3 PHE QD 1 18 THR H 4.000 . 5.000 4.045 3.699 4.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
126 1 5 LEU HA 1 52 TRP QB 4.000 . 5.000 2.014 1.951 2.138 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
127 1 11 THR HB 1 12 LEU H 4.000 . 5.000 2.715 2.425 4.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
128 1 8 ASN H 1 53 THR MG 4.000 . 5.500 4.331 4.016 4.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
129 1 53 THR MG 1 54 VAL H 4.000 . 5.500 1.927 1.896 2.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
130 1 10 LYS H 1 12 LEU H 4.000 . 5.000 4.099 3.798 4.275 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
131 1 5 LEU HG 1 54 VAL MG1 4.000 . 5.500 3.566 3.255 3.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
132 1 11 THR MG 1 12 LEU H 4.000 . 5.500 3.775 3.477 4.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
133 1 53 THR MG 1 55 THR H 4.000 . 5.500 3.309 2.830 3.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
134 1 52 TRP HA 1 52 TRP HD1 4.000 . 5.000 4.033 3.982 4.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
135 1 46 ASP H 1 52 TRP HA 4.000 . 5.000 3.864 3.525 4.143 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
136 1 15 GLU H 1 15 GLU QG 4.000 . 5.000 2.276 1.944 4.072 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
137 1 6 ILE H 1 53 THR HA 4.000 . 5.000 2.471 2.112 2.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
138 1 52 TRP H 1 52 TRP HD1 4.000 . 5.000 3.534 3.249 3.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
139 1 19 GLU HA 1 19 GLU HG2 4.000 . 5.000 2.612 2.195 3.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
140 1 7 ILE H 1 7 ILE MD 4.000 . 5.500 3.389 3.277 3.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
141 1 25 THR H 1 26 ALA H 4.000 . 5.000 2.686 2.542 2.731 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
142 1 33 TYR HB3 1 33 TYR QE 4.000 . 5.000 4.422 4.419 4.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
143 1 24 ALA H 1 26 ALA H 4.000 . 5.000 4.239 4.125 4.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
144 1 33 TYR HD2 1 34 ILE H 4.000 . 5.000 3.349 3.276 3.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
145 1 33 TYR HB3 1 34 ILE H 4.000 . 5.000 2.500 2.447 2.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
146 1 33 TYR HB2 1 34 ILE H 4.000 . 5.000 3.840 3.807 3.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
147 1 19 GLU H 1 26 ALA MB 4.000 . 5.500 4.448 4.221 4.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
148 1 33 TYR HB2 1 33 TYR QE 4.000 . 5.000 4.441 4.437 4.443 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
149 1 32 GLN QB 1 35 ASN QB 4.000 . 5.000 4.003 3.985 4.054 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
150 1 32 GLN HA 1 35 ASN HD21 4.000 . 5.000 4.098 3.357 4.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
151 1 32 GLN HA 1 34 ILE H 4.000 . 5.000 4.391 4.233 4.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
152 1 32 GLN H 1 33 TYR H 4.000 . 5.000 2.751 2.725 2.801 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
153 1 30 LEU HA 1 33 TYR HB2 4.000 . 5.000 3.214 3.161 3.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
154 1 33 TYR HA 1 33 TYR QE 4.000 . 5.000 4.554 4.542 4.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
155 1 26 ALA MB 1 28 LYS H 4.000 . 5.500 4.267 4.064 4.342 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
156 1 26 ALA HA 1 29 VAL H 4.000 . 5.000 3.445 3.402 3.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
157 1 26 ALA HA 1 30 LEU H 4.000 . 5.000 4.246 4.105 4.363 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
158 1 33 TYR H 1 34 ILE H 4.000 . 5.000 2.587 2.546 2.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
159 1 25 THR HA 1 26 ALA H 4.000 . 5.000 3.589 3.572 3.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
160 1 34 ILE H 1 35 ASN H 4.000 . 5.000 2.566 2.517 2.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
161 1 34 ILE HB 1 35 ASN H 4.000 . 5.000 2.795 2.729 3.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
162 1 34 ILE HA 1 35 ASN H 4.000 . 5.000 3.514 3.414 3.528 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
163 1 34 ILE HB 1 43 TRP HH2 4.000 . 5.000 3.918 3.817 4.027 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
164 1 6 ILE MD 1 14 GLY H 4.000 . 5.500 4.560 4.327 4.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
165 1 34 ILE MD 1 43 TRP HH2 4.000 . 5.500 4.126 3.935 4.247 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
166 1 34 ILE MD 1 43 TRP HE1 4.000 . 5.500 4.008 3.823 4.252 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
167 1 6 ILE HA 1 16 THR H 4.000 . 5.000 3.628 3.483 3.742 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
168 1 6 ILE QG 1 16 THR H 4.000 . 5.000 4.497 4.478 4.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
169 1 25 THR HA 1 29 VAL H 4.000 . 5.000 4.963 4.484 5.018 0.018 30 0 "[ . 1 . 2 . 3 . 4]" 3
170 1 6 ILE HA 1 7 ILE HB 4.000 . 5.000 4.579 4.546 4.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
171 1 33 TYR HD2 1 34 ILE HB 4.000 . 5.000 4.955 4.919 5.006 0.006 14 0 "[ . 1 . 2 . 3 . 4]" 3
172 1 25 THR HA 1 28 LYS H 4.000 . 5.000 3.875 3.805 3.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
173 1 10 LYS HA 1 10 LYS QD 4.000 . 5.000 3.814 2.490 4.129 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
174 1 6 ILE MG 1 54 VAL H 4.000 . 5.500 4.577 4.423 4.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
175 1 34 ILE H 1 34 ILE MD 4.000 . 5.500 3.524 3.470 3.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
176 1 7 ILE H 1 7 ILE MG 4.000 . 5.500 3.731 3.716 3.792 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
177 1 18 THR H 1 30 LEU MD2 4.000 . 5.500 4.152 4.074 4.234 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
178 1 25 THR HB 1 28 LYS QD 4.000 . 5.000 4.488 4.459 4.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
179 1 28 LYS H 1 28 LYS QD 4.000 . 5.000 3.194 3.067 3.857 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
180 1 28 LYS HA 1 31 LYS H 4.000 . 5.000 3.466 3.401 3.549 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
181 1 30 LEU H 1 30 LEU MD1 4.000 . 5.500 3.930 3.854 3.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
182 1 28 LYS H 1 29 VAL MG2 4.000 . 5.500 4.459 4.375 4.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
183 1 7 ILE HB 1 15 GLU HA 4.000 . 5.000 4.821 4.411 5.024 0.024 7 0 "[ . 1 . 2 . 3 . 4]" 3
184 1 29 VAL H 1 29 VAL MG1 4.000 . 5.500 3.657 3.642 3.667 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
185 1 29 VAL MG1 1 30 LEU H 4.000 . 5.500 3.194 3.032 3.235 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
186 1 8 ASN HB3 1 8 ASN HD22 4.000 . 5.000 3.612 3.558 3.786 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
187 1 8 ASN HB2 1 8 ASN HD22 4.000 . 5.000 3.762 3.586 3.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
188 1 29 VAL HA 1 30 LEU H 4.000 . 5.000 3.562 3.540 3.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
189 1 8 ASN H 1 8 ASN HB3 4.000 . 5.000 3.557 3.484 3.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
190 1 29 VAL HA 1 33 TYR H 4.000 . 5.000 4.540 4.481 4.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
191 1 29 VAL MG1 1 32 GLN QB 4.000 . 5.500 3.409 3.282 3.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
192 1 29 VAL HA 1 32 GLN H 4.000 . 5.000 3.291 3.206 3.324 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
193 1 29 VAL HA 1 31 LYS H 4.000 . 5.000 4.131 4.042 4.176 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
194 1 7 ILE MG 1 14 GLY H 4.000 . 5.500 3.946 3.760 4.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
195 1 30 LEU HA 1 32 GLN QB 4.000 . 5.000 4.544 4.473 4.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
196 1 28 LYS H 1 28 LYS QG 4.000 . 5.000 2.199 1.986 3.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
197 1 31 LYS HA 1 34 ILE H 4.000 . 5.000 3.265 3.216 3.331 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
198 1 26 ALA H 1 28 LYS HD3 4.000 . 5.000 5.011 4.949 5.042 0.042 37 0 "[ . 1 . 2 . 3 . 4]" 3
199 1 27 GLU HA 1 28 LYS H 4.000 . 5.000 3.555 3.506 3.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
200 1 32 GLN QB 1 33 TYR HB2 4.000 . 5.000 4.175 3.991 4.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
201 1 7 ILE MG 1 9 GLY HA2 4.000 . 5.500 4.214 4.051 4.318 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
202 1 7 ILE MG 1 9 GLY HA3 4.000 . 5.500 3.324 3.170 3.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
203 1 32 GLN H 1 32 GLN QG 4.000 . 5.000 2.849 2.589 3.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
204 1 30 LEU MD1 1 33 TYR QD 4.000 . 5.500 4.088 4.083 4.099 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
205 1 7 ILE QG 1 14 GLY H 4.000 . 5.000 4.334 3.860 4.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
206 1 30 LEU H 1 31 LYS H 4.000 . 5.000 2.575 2.542 2.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
207 1 30 LEU MD2 1 33 TYR H 4.000 . 5.500 4.621 4.598 4.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
208 1 8 ASN H 1 9 GLY H 4.000 . 5.000 3.171 3.080 3.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
209 1 31 LYS H 1 31 LYS HB3 4.000 . 5.000 2.777 2.609 2.804 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
210 1 8 ASN HB3 1 9 GLY H 4.000 . 5.000 4.399 4.364 4.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
211 1 6 ILE HA 1 14 GLY H 4.000 . 5.000 4.810 4.590 5.004 0.004 12 0 "[ . 1 . 2 . 3 . 4]" 3
212 1 41 GLY HA3 1 55 THR H 4.000 . 5.000 4.714 4.327 5.003 0.003 34 0 "[ . 1 . 2 . 3 . 4]" 3
213 1 41 GLY H 1 43 TRP HE1 4.000 . 5.000 2.912 2.476 3.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
214 1 11 THR HA 1 11 THR HB 3.000 . 3.300 3.005 2.688 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
215 1 5 LEU MD1 1 30 LEU HA 4.000 . 5.500 4.616 4.595 4.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
216 1 5 LEU MD1 1 43 TRP HZ2 4.000 . 5.500 4.585 4.437 4.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
217 1 42 GLU H 1 42 GLU QG 4.000 . 5.000 3.719 2.804 4.059 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
218 1 19 GLU H 1 19 GLU QG 4.000 . 5.000 4.053 3.942 4.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
219 1 19 GLU HA 1 20 ALA MB 4.000 . 5.500 3.930 3.853 3.970 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
220 1 21 VAL H 1 21 VAL HB 4.000 . 5.000 2.984 2.411 3.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
221 1 39 ILE HB 1 40 ASP H 4.000 . 5.000 4.450 3.957 4.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
222 1 5 LEU HA 1 52 TRP H 4.000 . 5.000 2.355 2.229 2.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
223 1 20 ALA H 1 21 VAL H 4.000 . 5.000 4.419 4.378 4.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
224 1 40 ASP QB 1 41 GLY H 4.000 . 5.000 3.731 3.113 4.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
225 1 11 THR H 1 11 THR HB 3.000 . 3.300 2.713 2.506 3.428 0.128 9 0 "[ . 1 . 2 . 3 . 4]" 3
226 1 5 LEU MD1 1 6 ILE H 4.000 . 5.500 4.384 4.146 4.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
227 1 5 LEU MD2 1 6 ILE H 4.000 . 5.500 2.997 2.636 3.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
228 1 5 LEU HG 1 6 ILE H 4.000 . 5.000 2.782 2.492 3.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
229 1 18 THR MG 1 30 LEU H 4.000 . 5.500 4.397 4.284 4.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
230 1 3 PHE HD2 1 19 GLU HA 4.000 . 5.000 3.637 3.046 3.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
231 1 43 TRP HA 1 43 TRP HE3 4.000 . 5.000 4.700 4.600 4.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
232 1 42 GLU HB2 1 55 THR H 4.000 . 5.000 4.050 3.765 4.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
233 1 42 GLU HB3 1 55 THR HB 4.000 . 5.000 4.147 3.596 4.970 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
234 1 42 GLU QG 1 43 TRP H 4.000 . 5.000 3.724 3.502 4.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
235 1 5 LEU HB3 1 16 THR H 4.000 . 5.000 3.875 3.601 4.169 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
236 1 43 TRP HA 1 43 TRP HD1 4.000 . 5.000 2.806 2.703 2.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
237 1 31 LYS H 1 43 TRP HH2 4.000 . 5.000 2.791 2.688 3.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
238 1 42 GLU H 1 55 THR H 4.000 . 5.000 2.873 2.594 3.178 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
239 1 42 GLU HB3 1 55 THR H 4.000 . 5.000 4.286 3.694 4.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
240 1 39 ILE H 1 39 ILE MD 4.000 . 5.500 3.608 3.520 3.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
241 1 35 ASN HA 1 38 GLY H 4.000 . 5.000 3.697 3.426 3.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
242 1 35 ASN QB 1 36 ASP H 4.000 . 5.000 2.694 2.164 2.805 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
243 1 6 ILE MD 1 7 ILE H 4.000 . 5.500 3.420 3.234 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
244 1 35 ASN HA 1 39 ILE H 4.000 . 5.000 4.665 4.307 4.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
245 1 36 ASP HA 1 38 GLY H 4.000 . 5.000 4.313 4.154 4.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
246 1 36 ASP QB 1 37 ASN H 4.000 . 5.000 2.424 2.026 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
247 1 36 ASP HA 1 37 ASN H 4.000 . 5.000 3.573 3.502 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
248 1 34 ILE QG 1 43 TRP HZ3 4.000 . 5.000 4.502 4.418 4.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
249 1 6 ILE MG 1 8 ASN HA 4.000 . 5.500 3.986 3.789 4.136 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
250 1 37 ASN H 1 37 ASN HA 3.000 . 3.300 2.886 2.840 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
251 1 37 ASN HD21 1 39 ILE QG 4.000 . 5.000 3.992 2.542 4.443 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
252 1 6 ILE H 1 6 ILE HB 4.000 . 5.000 2.353 2.230 2.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
253 1 10 LYS QB 1 12 LEU H 4.000 . 5.000 4.438 4.113 4.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
254 1 21 VAL HA 1 22 ASP H 4.000 . 5.000 3.547 3.517 3.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
255 1 5 LEU HB2 1 27 GLU HA 4.000 . 5.000 5.048 4.534 5.294 0.294 34 0 "[ . 1 . 2 . 3 . 4]" 3
256 1 5 LEU MD1 1 53 THR HA 4.000 . 5.500 4.635 4.607 4.653 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
257 1 38 GLY H 1 39 ILE H 4.000 . 5.000 2.408 2.274 2.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
258 1 23 ALA HA 1 24 ALA H 4.000 . 5.000 3.520 3.503 3.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
259 1 22 ASP QB 1 24 ALA H 4.000 . 5.000 2.791 2.563 3.282 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
260 1 37 ASN H 1 38 GLY H 4.000 . 5.000 2.579 2.347 2.732 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
261 1 10 LYS HA 1 11 THR H 4.000 . 5.000 3.531 3.504 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
262 1 3 PHE H 1 18 THR H 4.000 . 5.000 3.108 2.579 3.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
263 1 2 THR HA 1 19 GLU HA 4.000 . 5.000 3.373 2.657 5.035 0.035 19 0 "[ . 1 . 2 . 3 . 4]" 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 35
_Distance_constraint_stats_list.Viol_count 192
_Distance_constraint_stats_list.Viol_total 214.984
_Distance_constraint_stats_list.Viol_max 0.099
_Distance_constraint_stats_list.Viol_rms 0.0151
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0280
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 PHE 0.006 0.006 35 0 "[ . 1 . 2 . 3 . 4]"
1 4 LYS 0.020 0.020 18 0 "[ . 1 . 2 . 3 . 4]"
1 5 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 6 ILE 0.154 0.028 27 0 "[ . 1 . 2 . 3 . 4]"
1 7 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 8 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 18 THR 0.006 0.006 35 0 "[ . 1 . 2 . 3 . 4]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 24 ALA 0.613 0.071 10 0 "[ . 1 . 2 . 3 . 4]"
1 25 THR 3.217 0.099 15 0 "[ . 1 . 2 . 3 . 4]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 28 LYS 0.613 0.071 10 0 "[ . 1 . 2 . 3 . 4]"
1 29 VAL 3.217 0.099 15 0 "[ . 1 . 2 . 3 . 4]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 34 ILE 0.429 0.032 6 0 "[ . 1 . 2 . 3 . 4]"
1 39 ILE 0.429 0.032 6 0 "[ . 1 . 2 . 3 . 4]"
1 42 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 46 ASP 0.935 0.055 39 0 "[ . 1 . 2 . 3 . 4]"
1 50 LYS 0.234 0.039 19 0 "[ . 1 . 2 . 3 . 4]"
1 51 THR 0.721 0.055 39 0 "[ . 1 . 2 . 3 . 4]"
1 52 TRP 0.154 0.028 27 0 "[ . 1 . 2 . 3 . 4]"
1 55 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 PHE N 1 18 THR O 3.300 2.400 3.500 3.029 2.682 3.506 0.006 35 0 "[ . 1 . 2 . 3 . 4]" 4
2 1 5 LEU N 1 16 THR O 3.300 2.400 3.500 2.591 2.568 2.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
3 1 7 ILE N 1 14 GLY O 3.300 2.400 3.500 2.747 2.590 3.252 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
4 1 4 LYS N 1 50 LYS O 3.300 2.400 3.500 3.218 2.909 3.520 0.020 18 0 "[ . 1 . 2 . 3 . 4]" 4
5 1 4 LYS O 1 52 TRP N 3.300 2.400 3.500 2.579 2.569 2.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
6 1 6 ILE N 1 52 TRP O 3.300 2.400 3.500 3.438 3.214 3.528 0.028 27 0 "[ . 1 . 2 . 3 . 4]" 4
7 1 42 GLU O 1 55 THR N 3.300 2.400 3.500 3.082 2.885 3.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
8 1 46 ASP N 1 51 THR O 3.300 2.400 3.500 3.317 3.065 3.547 0.047 27 0 "[ . 1 . 2 . 3 . 4]" 4
9 1 46 ASP O 1 50 LYS N 3.300 2.400 3.500 3.254 2.837 3.391 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
10 1 46 ASP O 1 51 THR N 3.300 2.400 3.500 3.501 3.380 3.555 0.055 39 0 "[ . 1 . 2 . 3 . 4]" 4
11 1 22 ASP O 1 26 ALA N 3.300 2.400 3.500 3.200 3.157 3.250 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
12 1 24 ALA O 1 28 LYS N 3.300 2.400 3.500 3.513 3.419 3.571 0.071 10 0 "[ . 1 . 2 . 3 . 4]" 4
13 1 25 THR O 1 29 VAL N 3.300 2.400 3.500 3.557 3.189 3.599 0.099 15 0 "[ . 1 . 2 . 3 . 4]" 4
14 1 26 ALA O 1 30 LEU N 3.300 2.400 3.500 2.873 2.802 2.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
15 1 27 GLU O 1 31 LYS N 3.300 2.400 3.500 2.801 2.741 2.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
16 1 30 LEU O 1 34 ILE N 3.300 2.400 3.500 2.991 2.884 3.072 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
17 1 34 ILE O 1 39 ILE N 3.300 2.400 3.500 3.507 3.439 3.532 0.032 6 0 "[ . 1 . 2 . 3 . 4]" 4
18 1 3 PHE H 1 18 THR O 2.300 . 2.800 2.176 1.713 2.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
19 1 5 LEU H 1 16 THR O 2.300 . 2.800 1.792 1.690 1.924 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
20 1 7 ILE H 1 14 GLY O 2.300 . 2.800 1.800 1.613 2.345 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
21 1 4 LYS H 1 50 LYS O 2.300 . 2.800 2.367 2.039 2.684 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
22 1 4 LYS O 1 52 TRP H 2.300 . 2.800 2.196 2.018 2.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
23 1 6 ILE H 1 52 TRP O 2.300 . 2.800 2.529 2.279 2.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
24 1 42 GLU O 1 55 THR H 2.300 . 2.800 2.138 1.941 2.404 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
25 1 8 ASN O 1 56 GLU H 2.300 . 2.800 2.248 2.152 2.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
26 1 46 ASP H 1 51 THR O 2.300 . 2.800 2.538 2.318 2.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
27 1 46 ASP O 1 50 LYS H 2.300 . 2.800 2.733 2.329 2.839 0.039 19 0 "[ . 1 . 2 . 3 . 4]" 4
28 1 46 ASP O 1 51 THR H 2.300 . 2.800 2.704 2.506 2.824 0.024 18 0 "[ . 1 . 2 . 3 . 4]" 4
29 1 22 ASP O 1 26 ALA H 2.300 . 2.800 2.222 2.176 2.285 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
30 1 24 ALA O 1 28 LYS H 2.300 . 2.800 2.683 2.654 2.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
31 1 25 THR O 1 29 VAL H 2.300 . 2.800 2.631 2.261 2.678 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
32 1 26 ALA O 1 30 LEU H 2.300 . 2.800 1.936 1.844 2.050 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
33 1 27 GLU O 1 31 LYS H 2.300 . 2.800 1.975 1.904 2.111 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
34 1 30 LEU O 1 34 ILE H 2.300 . 2.800 2.082 1.961 2.178 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
35 1 34 ILE O 1 39 ILE H 2.300 . 2.800 2.600 2.537 2.649 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
stop_
save_
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