NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
388083 |
1mq1   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1mq1
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 22
_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 11 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 12 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 14 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 17 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 59 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 76 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 11 ILE 0.000 0.000 . 0 "[ . 1 . ]"
2 12 ASP 0.000 0.000 . 0 "[ . 1 . ]"
2 13 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 14 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 17 TYR 0.000 0.000 . 0 "[ . 1 . ]"
2 18 SER 0.000 0.000 . 0 "[ . 1 . ]"
2 21 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 22 GLY 0.000 0.000 . 0 "[ . 1 . ]"
2 26 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 27 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 32 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 33 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 51 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 52 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 53 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 59 THR 0.000 0.000 . 0 "[ . 1 . ]"
2 60 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 76 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 77 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 78 ALA 0.000 0.000 . 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 ILE MG 1 12 ASP HA 3.850 . 6.000 4.003 3.076 4.945 . 0 0 "[ . 1 . ]" 1
2 2 11 ILE MG 2 12 ASP HA 3.850 . 6.000 4.003 3.076 4.945 . 0 0 "[ . 1 . ]" 1
3 1 13 VAL QG 1 14 PHE HA 3.620 . 5.540 3.676 3.493 3.992 . 0 0 "[ . 1 . ]" 1
4 2 13 VAL QG 2 14 PHE HA 3.620 . 5.540 3.676 3.492 3.993 . 0 0 "[ . 1 . ]" 1
5 1 17 TYR QB 1 18 SER HA 2.930 . 4.160 3.709 3.618 3.744 . 0 0 "[ . 1 . ]" 1
6 2 17 TYR QB 2 18 SER HA 2.930 . 4.160 3.709 3.618 3.744 . 0 0 "[ . 1 . ]" 1
7 1 21 GLU HA 1 22 GLY QA 3.230 . 4.760 4.090 3.893 4.233 . 0 0 "[ . 1 . ]" 1
8 2 21 GLU HA 2 22 GLY QA 3.230 . 4.760 4.090 3.894 4.233 . 0 0 "[ . 1 . ]" 1
9 1 26 LYS HA 1 27 LEU QD 3.420 . 5.140 2.790 2.536 3.123 . 0 0 "[ . 1 . ]" 1
10 2 26 LYS HA 2 27 LEU QD 3.420 . 5.140 2.790 2.537 3.123 . 0 0 "[ . 1 . ]" 1
11 1 32 LEU QD 1 33 LYS HA 3.680 . 5.660 2.756 2.119 3.697 . 0 0 "[ . 1 . ]" 1
12 2 32 LEU QD 2 33 LYS HA 3.680 . 5.660 2.755 2.119 3.697 . 0 0 "[ . 1 . ]" 1
13 1 51 GLU QG 1 52 VAL QG 3.850 . 6.000 2.405 2.017 2.648 . 0 0 "[ . 1 . ]" 1
14 2 51 GLU QG 2 52 VAL QG 3.850 . 6.000 2.405 2.017 2.647 . 0 0 "[ . 1 . ]" 1
15 1 52 VAL QG 1 53 VAL HA 3.850 . 6.000 3.061 2.811 3.350 . 0 0 "[ . 1 . ]" 1
16 2 52 VAL QG 2 53 VAL HA 3.850 . 6.000 3.061 2.810 3.351 . 0 0 "[ . 1 . ]" 1
17 1 59 THR HB 1 60 LEU QD 3.840 . 5.980 3.363 2.151 4.361 . 0 0 "[ . 1 . ]" 1
18 2 59 THR HB 2 60 LEU QD 3.840 . 5.980 3.362 2.152 4.360 . 0 0 "[ . 1 . ]" 1
19 1 76 PHE QB 1 77 VAL QG 3.850 . 6.000 3.252 2.875 3.907 . 0 0 "[ . 1 . ]" 1
20 2 76 PHE QB 2 77 VAL QG 3.850 . 6.000 3.252 2.875 3.906 . 0 0 "[ . 1 . ]" 1
21 1 77 VAL QG 1 78 ALA HA 3.730 . 5.760 3.482 2.848 3.920 . 0 0 "[ . 1 . ]" 1
22 2 77 VAL QG 2 78 ALA HA 3.730 . 5.760 3.482 2.848 3.920 . 0 0 "[ . 1 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 56
_Distance_constraint_stats_list.Viol_count 41
_Distance_constraint_stats_list.Viol_total 110.868
_Distance_constraint_stats_list.Viol_max 0.506
_Distance_constraint_stats_list.Viol_rms 0.0445
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0069
_Distance_constraint_stats_list.Viol_average_violations_only 0.1591
_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
3 1 THR 2.405 0.506 12 1 "[ . 1 + . ]"
3 2 ARG 0.000 0.000 . 0 "[ . 1 . ]"
3 3 THR 0.000 0.000 . 0 "[ . 1 . ]"
3 4 LYS 0.000 0.000 . 0 "[ . 1 . ]"
3 5 ILE 0.000 0.000 . 0 "[ . 1 . ]"
3 6 ASP 0.000 0.000 . 0 "[ . 1 . ]"
3 7 TRP 0.000 0.000 . 0 "[ . 1 . ]"
3 8 ASN 0.000 0.000 . 0 "[ . 1 . ]"
3 9 LYS 0.000 0.000 . 0 "[ . 1 . ]"
3 10 ILE 0.000 0.000 . 0 "[ . 1 . ]"
3 11 LEU 0.853 0.149 3 0 "[ . 1 . ]"
4 1 THR 2.409 0.506 12 1 "[ . 1 + . ]"
4 2 ARG 0.000 0.000 . 0 "[ . 1 . ]"
4 3 THR 0.000 0.000 . 0 "[ . 1 . ]"
4 4 LYS 0.000 0.000 . 0 "[ . 1 . ]"
4 5 ILE 0.000 0.000 . 0 "[ . 1 . ]"
4 6 ASP 0.000 0.000 . 0 "[ . 1 . ]"
4 7 TRP 0.000 0.000 . 0 "[ . 1 . ]"
4 8 ASN 0.000 0.000 . 0 "[ . 1 . ]"
4 9 LYS 0.000 0.000 . 0 "[ . 1 . ]"
4 10 ILE 0.000 0.000 . 0 "[ . 1 . ]"
4 11 LEU 0.855 0.150 3 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 3 1 THR HA 3 1 THR HB 2.640 . 3.580 2.761 2.659 2.988 . 0 0 "[ . 1 . ]" 2
2 3 1 THR H1 3 1 THR HA 2.990 . 4.280 2.609 2.266 2.936 . 0 0 "[ . 1 . ]" 2
3 3 1 THR H1 3 1 THR HB 2.670 . 3.630 3.556 2.651 4.136 0.506 12 1 "[ . 1 + . ]" 2
4 4 1 THR HA 4 1 THR HB 2.640 . 3.580 2.762 2.659 2.989 . 0 0 "[ . 1 . ]" 2
5 4 1 THR H1 4 1 THR HA 2.990 . 4.280 2.609 2.264 2.937 . 0 0 "[ . 1 . ]" 2
6 4 1 THR H1 4 1 THR HB 2.670 . 3.630 3.556 2.650 4.136 0.506 12 1 "[ . 1 + . ]" 2
7 3 2 ARG H 3 2 ARG QG 3.170 . 4.630 3.036 1.947 4.053 . 0 0 "[ . 1 . ]" 2
8 4 2 ARG H 4 2 ARG QG 3.170 . 4.630 3.035 1.946 4.052 . 0 0 "[ . 1 . ]" 2
9 3 3 THR HA 3 3 THR MG 2.780 . 3.860 2.759 2.083 3.218 . 0 0 "[ . 1 . ]" 2
10 4 3 THR HA 4 3 THR MG 2.780 . 3.860 2.758 2.083 3.218 . 0 0 "[ . 1 . ]" 2
11 3 4 LYS HA 3 4 LYS QD 3.850 . 6.000 3.727 3.432 4.518 . 0 0 "[ . 1 . ]" 2
12 4 4 LYS HA 4 4 LYS QD 3.850 . 6.000 3.727 3.432 4.517 . 0 0 "[ . 1 . ]" 2
13 3 5 ILE HA 3 5 ILE HB 2.940 . 4.170 2.495 2.290 2.678 . 0 0 "[ . 1 . ]" 2
14 3 5 ILE HA 3 5 ILE MD 2.830 . 3.960 3.345 3.032 3.451 . 0 0 "[ . 1 . ]" 2
15 3 5 ILE HA 3 5 ILE QG 3.150 . 4.590 3.480 3.429 3.632 . 0 0 "[ . 1 . ]" 2
16 3 5 ILE H 3 5 ILE HB 3.030 . 4.360 4.033 3.907 4.195 . 0 0 "[ . 1 . ]" 2
17 3 5 ILE H 3 5 ILE MD 3.410 . 4.670 2.823 2.185 3.912 . 0 0 "[ . 1 . ]" 2
18 3 5 ILE H 3 5 ILE MG 3.850 . 6.000 2.710 2.282 3.523 . 0 0 "[ . 1 . ]" 2
19 4 5 ILE HA 4 5 ILE HB 2.940 . 4.170 2.495 2.290 2.677 . 0 0 "[ . 1 . ]" 2
20 4 5 ILE HA 4 5 ILE MD 2.830 . 3.960 3.345 3.032 3.450 . 0 0 "[ . 1 . ]" 2
21 4 5 ILE HA 4 5 ILE QG 3.150 . 4.590 3.480 3.428 3.632 . 0 0 "[ . 1 . ]" 2
22 4 5 ILE H 4 5 ILE HB 3.030 . 4.360 4.033 3.906 4.195 . 0 0 "[ . 1 . ]" 2
23 4 5 ILE H 4 5 ILE MD 3.410 . 4.670 2.823 2.185 3.911 . 0 0 "[ . 1 . ]" 2
24 4 5 ILE H 4 5 ILE MG 3.850 . 6.000 2.710 2.283 3.523 . 0 0 "[ . 1 . ]" 2
25 3 6 ASP H 3 6 ASP QB 2.990 . 4.280 2.641 2.095 2.973 . 0 0 "[ . 1 . ]" 2
26 4 6 ASP H 4 6 ASP QB 2.990 . 4.280 2.641 2.095 2.973 . 0 0 "[ . 1 . ]" 2
27 3 7 TRP HA 3 7 TRP HD1 3.390 . 5.080 2.955 2.357 3.682 . 0 0 "[ . 1 . ]" 2
28 3 7 TRP H 3 7 TRP HA 2.810 . 3.910 2.853 2.686 2.939 . 0 0 "[ . 1 . ]" 2
29 3 7 TRP QB 3 7 TRP HD1 2.720 . 3.740 3.036 2.662 3.224 . 0 0 "[ . 1 . ]" 2
30 3 7 TRP H 3 7 TRP QB 2.730 . 3.750 2.437 2.175 2.664 . 0 0 "[ . 1 . ]" 2
31 4 7 TRP HA 4 7 TRP HD1 3.390 . 5.080 2.956 2.358 3.682 . 0 0 "[ . 1 . ]" 2
32 4 7 TRP H 4 7 TRP HA 2.810 . 3.910 2.854 2.687 2.938 . 0 0 "[ . 1 . ]" 2
33 4 7 TRP QB 4 7 TRP HD1 2.720 . 3.740 3.036 2.662 3.226 . 0 0 "[ . 1 . ]" 2
34 4 7 TRP H 4 7 TRP QB 2.730 . 3.750 2.438 2.175 2.664 . 0 0 "[ . 1 . ]" 2
35 3 8 ASN HA 3 8 ASN QB 2.580 . 3.460 2.448 2.314 2.538 . 0 0 "[ . 1 . ]" 2
36 4 8 ASN HA 4 8 ASN QB 2.580 . 3.460 2.448 2.314 2.538 . 0 0 "[ . 1 . ]" 2
37 3 9 LYS HA 3 9 LYS QD 3.080 . 4.460 3.320 2.830 3.980 . 0 0 "[ . 1 . ]" 2
38 3 9 LYS QE 3 9 LYS QG 2.960 . 4.210 2.109 1.938 2.445 . 0 0 "[ . 1 . ]" 2
39 4 9 LYS HA 4 9 LYS QD 3.080 . 4.460 3.320 2.830 3.980 . 0 0 "[ . 1 . ]" 2
40 4 9 LYS QE 4 9 LYS QG 2.960 . 4.210 2.109 1.939 2.444 . 0 0 "[ . 1 . ]" 2
41 3 10 ILE HA 3 10 ILE MD 3.850 . 6.000 2.961 2.072 3.880 . 0 0 "[ . 1 . ]" 2
42 3 10 ILE H 3 10 ILE MG 2.420 . 3.140 2.339 1.739 2.619 . 0 0 "[ . 1 . ]" 2
43 3 10 ILE H 3 10 ILE HB 3.020 . 4.340 2.433 2.287 2.726 . 0 0 "[ . 1 . ]" 2
44 4 10 ILE HA 4 10 ILE MD 3.850 . 6.000 2.961 2.072 3.879 . 0 0 "[ . 1 . ]" 2
45 4 10 ILE H 4 10 ILE MG 2.420 . 3.140 2.339 1.739 2.619 . 0 0 "[ . 1 . ]" 2
46 4 10 ILE H 4 10 ILE HB 3.020 . 4.340 2.433 2.287 2.726 . 0 0 "[ . 1 . ]" 2
47 3 11 LEU HA 3 11 LEU QB 2.520 . 3.340 2.457 2.278 2.525 . 0 0 "[ . 1 . ]" 2
48 3 11 LEU HA 3 11 LEU HG 3.850 . 6.000 3.182 2.204 3.696 . 0 0 "[ . 1 . ]" 2
49 3 11 LEU H 3 11 LEU HA 2.820 . 3.940 2.910 2.896 2.920 . 0 0 "[ . 1 . ]" 2
50 3 11 LEU H 3 11 LEU QB 2.580 . 3.460 2.259 2.129 2.627 . 0 0 "[ . 1 . ]" 2
51 3 11 LEU H 3 11 LEU HG 2.890 . 4.080 3.801 2.327 4.229 0.149 3 0 "[ . 1 . ]" 2
52 4 11 LEU HA 4 11 LEU QB 2.520 . 3.340 2.457 2.278 2.525 . 0 0 "[ . 1 . ]" 2
53 4 11 LEU HA 4 11 LEU HG 3.850 . 6.000 3.182 2.203 3.697 . 0 0 "[ . 1 . ]" 2
54 4 11 LEU H 4 11 LEU HA 2.820 . 3.940 2.910 2.895 2.921 . 0 0 "[ . 1 . ]" 2
55 4 11 LEU H 4 11 LEU QB 2.580 . 3.460 2.259 2.129 2.627 . 0 0 "[ . 1 . ]" 2
56 4 11 LEU H 4 11 LEU HG 2.890 . 4.080 3.801 2.328 4.230 0.150 3 0 "[ . 1 . ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 16
_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
3 1 THR 0.000 0.000 . 0 "[ . 1 . ]"
3 2 ARG 0.000 0.000 . 0 "[ . 1 . ]"
3 4 LYS 0.000 0.000 . 0 "[ . 1 . ]"
3 5 ILE 0.000 0.000 . 0 "[ . 1 . ]"
3 6 ASP 0.000 0.000 . 0 "[ . 1 . ]"
3 7 TRP 0.000 0.000 . 0 "[ . 1 . ]"
3 8 ASN 0.000 0.000 . 0 "[ . 1 . ]"
3 9 LYS 0.000 0.000 . 0 "[ . 1 . ]"
3 10 ILE 0.000 0.000 . 0 "[ . 1 . ]"
4 1 THR 0.000 0.000 . 0 "[ . 1 . ]"
4 2 ARG 0.000 0.000 . 0 "[ . 1 . ]"
4 4 LYS 0.000 0.000 . 0 "[ . 1 . ]"
4 5 ILE 0.000 0.000 . 0 "[ . 1 . ]"
4 6 ASP 0.000 0.000 . 0 "[ . 1 . ]"
4 7 TRP 0.000 0.000 . 0 "[ . 1 . ]"
4 8 ASN 0.000 0.000 . 0 "[ . 1 . ]"
4 9 LYS 0.000 0.000 . 0 "[ . 1 . ]"
4 10 ILE 0.000 0.000 . 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 3 1 THR H1 3 2 ARG H 2.830 . 3.970 2.474 1.978 3.523 . 0 0 "[ . 1 . ]" 3
2 4 1 THR H1 4 2 ARG H 2.830 . 3.970 2.474 1.979 3.523 . 0 0 "[ . 1 . ]" 3
3 3 4 LYS QD 3 5 ILE HA 3.850 . 6.000 4.970 3.798 5.375 . 0 0 "[ . 1 . ]" 3
4 3 5 ILE MD 3 6 ASP H 3.160 . 4.620 3.376 1.809 3.932 . 0 0 "[ . 1 . ]" 3
5 4 4 LYS QD 4 5 ILE HA 3.850 . 6.000 4.970 3.800 5.376 . 0 0 "[ . 1 . ]" 3
6 4 5 ILE MD 4 6 ASP H 3.160 . 4.620 3.376 1.810 3.932 . 0 0 "[ . 1 . ]" 3
7 3 5 ILE HA 3 6 ASP H 3.220 . 4.740 3.070 2.705 3.357 . 0 0 "[ . 1 . ]" 3
8 3 6 ASP H 3 7 TRP H 3.100 . 4.500 3.422 2.889 4.146 . 0 0 "[ . 1 . ]" 3
9 4 5 ILE HA 4 6 ASP H 3.220 . 4.740 3.070 2.705 3.358 . 0 0 "[ . 1 . ]" 3
10 4 6 ASP H 4 7 TRP H 3.100 . 4.500 3.423 2.889 4.147 . 0 0 "[ . 1 . ]" 3
11 3 7 TRP H 3 8 ASN H 2.870 . 4.040 2.692 2.181 3.160 . 0 0 "[ . 1 . ]" 3
12 4 7 TRP H 4 8 ASN H 2.870 . 4.040 2.691 2.181 3.160 . 0 0 "[ . 1 . ]" 3
13 3 9 LYS H 3 10 ILE MG 3.850 . 6.000 3.780 3.147 4.378 . 0 0 "[ . 1 . ]" 3
14 3 9 LYS HA 3 10 ILE H 3.160 . 4.620 3.563 3.533 3.582 . 0 0 "[ . 1 . ]" 3
15 4 9 LYS H 4 10 ILE MG 3.850 . 6.000 3.780 3.146 4.376 . 0 0 "[ . 1 . ]" 3
16 4 9 LYS HA 4 10 ILE H 3.160 . 4.620 3.563 3.533 3.582 . 0 0 "[ . 1 . ]" 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 140
_Distance_constraint_stats_list.Viol_count 68
_Distance_constraint_stats_list.Viol_total 127.520
_Distance_constraint_stats_list.Viol_max 0.243
_Distance_constraint_stats_list.Viol_rms 0.0214
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.1103
_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 10 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 11 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 13 VAL 0.571 0.179 10 0 "[ . 1 . ]"
1 14 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 17 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 32 LEU 0.048 0.048 14 0 "[ . 1 . ]"
1 33 LYS 0.353 0.095 9 0 "[ . 1 . ]"
1 35 LEU 0.571 0.179 10 0 "[ . 1 . ]"
1 36 ILE 0.002 0.002 10 0 "[ . 1 . ]"
1 38 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 44 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 47 ILE 2.735 0.242 14 0 "[ . 1 . ]"
1 53 VAL 3.087 0.242 14 0 "[ . 1 . ]"
1 57 MET 0.048 0.048 14 0 "[ . 1 . ]"
1 59 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 60 LEU 0.042 0.038 2 0 "[ . 1 . ]"
1 68 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 69 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 70 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 73 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 74 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 76 PHE 0.042 0.038 2 0 "[ . 1 . ]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 79 MET 0.000 0.000 . 0 "[ . 1 . ]"
2 10 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 11 ILE 0.000 0.000 . 0 "[ . 1 . ]"
2 13 VAL 0.571 0.178 10 0 "[ . 1 . ]"
2 14 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 17 TYR 0.000 0.000 . 0 "[ . 1 . ]"
2 18 SER 0.000 0.000 . 0 "[ . 1 . ]"
2 26 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 27 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 29 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 32 LEU 0.049 0.049 14 0 "[ . 1 . ]"
2 33 LYS 0.354 0.095 9 0 "[ . 1 . ]"
2 35 LEU 0.571 0.178 10 0 "[ . 1 . ]"
2 36 ILE 0.002 0.002 10 0 "[ . 1 . ]"
2 38 ASN 0.000 0.000 . 0 "[ . 1 . ]"
2 44 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 47 ILE 2.735 0.243 14 0 "[ . 1 . ]"
2 53 VAL 3.088 0.243 14 0 "[ . 1 . ]"
2 57 MET 0.049 0.049 14 0 "[ . 1 . ]"
2 59 THR 0.000 0.000 . 0 "[ . 1 . ]"
2 60 LEU 0.042 0.038 2 0 "[ . 1 . ]"
2 68 CYS 0.000 0.000 . 0 "[ . 1 . ]"
2 69 ASP 0.000 0.000 . 0 "[ . 1 . ]"
2 70 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 72 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 73 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 74 MET 0.000 0.000 . 0 "[ . 1 . ]"
2 75 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 76 PHE 0.042 0.038 2 0 "[ . 1 . ]"
2 77 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 79 MET 0.000 0.000 . 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 LEU QD 1 70 PHE QE 3.850 . 6.000 3.614 2.486 3.982 . 0 0 "[ . 1 . ]" 4
2 1 10 LEU QD 1 73 PHE QE 3.850 . 6.000 2.983 1.832 3.974 . 0 0 "[ . 1 . ]" 4
3 1 10 LEU QD 1 74 MET HA 3.850 . 6.000 3.324 2.446 4.256 . 0 0 "[ . 1 . ]" 4
4 1 10 LEU QD 1 77 VAL HB 3.850 . 6.000 3.546 2.877 4.364 . 0 0 "[ . 1 . ]" 4
5 1 10 LEU QD 1 77 VAL QG 3.570 . 5.440 2.193 1.798 2.733 . 0 0 "[ . 1 . ]" 4
6 2 10 LEU QD 2 70 PHE QE 3.850 . 6.000 3.615 2.486 3.982 . 0 0 "[ . 1 . ]" 4
7 2 10 LEU QD 2 73 PHE QE 3.850 . 6.000 2.983 1.831 3.974 . 0 0 "[ . 1 . ]" 4
8 2 10 LEU QD 2 74 MET HA 3.850 . 6.000 3.324 2.446 4.256 . 0 0 "[ . 1 . ]" 4
9 2 10 LEU QD 2 77 VAL HB 3.850 . 6.000 3.546 2.875 4.364 . 0 0 "[ . 1 . ]" 4
10 2 10 LEU QD 2 77 VAL QG 3.570 . 5.440 2.193 1.797 2.734 . 0 0 "[ . 1 . ]" 4
11 1 11 ILE MG 1 73 PHE QE 3.850 . 6.000 4.478 4.327 4.514 . 0 0 "[ . 1 . ]" 4
12 2 11 ILE MG 2 73 PHE QE 3.850 . 6.000 4.478 4.327 4.515 . 0 0 "[ . 1 . ]" 4
13 1 14 PHE QB 1 27 LEU QD 2.460 . 3.210 2.142 2.129 2.156 . 0 0 "[ . 1 . ]" 4
14 1 14 PHE QB 1 73 PHE QE 2.150 . 2.610 1.924 1.764 2.105 . 0 0 "[ . 1 . ]" 4
15 2 14 PHE QB 2 27 LEU QD 2.460 . 3.210 2.142 2.128 2.156 . 0 0 "[ . 1 . ]" 4
16 2 14 PHE QB 2 73 PHE QE 2.150 . 2.610 1.924 1.764 2.104 . 0 0 "[ . 1 . ]" 4
17 1 14 PHE QD 1 27 LEU QD 3.850 . 6.000 1.920 1.795 2.077 . 0 0 "[ . 1 . ]" 4
18 1 14 PHE QE 1 27 LEU QD 3.460 . 5.210 3.294 2.424 3.462 . 0 0 "[ . 1 . ]" 4
19 1 17 TYR HA 1 27 LEU QD 3.850 . 6.000 4.403 4.123 4.485 . 0 0 "[ . 1 . ]" 4
20 1 17 TYR QB 1 27 LEU QD 2.710 . 3.730 2.253 1.896 2.473 . 0 0 "[ . 1 . ]" 4
21 1 17 TYR QD 1 27 LEU QD 3.850 . 6.000 3.680 3.163 3.980 . 0 0 "[ . 1 . ]" 4
22 1 18 SER HA 1 27 LEU QD 3.390 . 5.080 2.779 1.961 3.642 . 0 0 "[ . 1 . ]" 4
23 1 18 SER QB 1 27 LEU QD 3.330 . 4.960 1.966 1.729 3.007 . 0 0 "[ . 1 . ]" 4
24 1 27 LEU QD 1 35 LEU QD 3.620 . 5.540 2.664 1.796 3.054 . 0 0 "[ . 1 . ]" 4
25 1 27 LEU QD 1 73 PHE QE 3.850 . 6.000 3.747 3.257 4.011 . 0 0 "[ . 1 . ]" 4
26 2 14 PHE QD 2 27 LEU QD 3.850 . 6.000 1.920 1.794 2.077 . 0 0 "[ . 1 . ]" 4
27 2 14 PHE QE 2 27 LEU QD 3.460 . 5.210 3.294 2.425 3.461 . 0 0 "[ . 1 . ]" 4
28 2 17 TYR HA 2 27 LEU QD 3.850 . 6.000 4.403 4.123 4.485 . 0 0 "[ . 1 . ]" 4
29 2 17 TYR QB 2 27 LEU QD 2.710 . 3.730 2.253 1.896 2.472 . 0 0 "[ . 1 . ]" 4
30 2 17 TYR QD 2 27 LEU QD 3.850 . 6.000 3.679 3.162 3.979 . 0 0 "[ . 1 . ]" 4
31 2 18 SER HA 2 27 LEU QD 3.390 . 5.080 2.779 1.961 3.642 . 0 0 "[ . 1 . ]" 4
32 2 18 SER QB 2 27 LEU QD 3.330 . 4.960 1.966 1.728 3.007 . 0 0 "[ . 1 . ]" 4
33 2 27 LEU QD 2 35 LEU QD 3.620 . 5.540 2.664 1.796 3.054 . 0 0 "[ . 1 . ]" 4
34 2 27 LEU QD 2 73 PHE QE 3.850 . 6.000 3.747 3.257 4.010 . 0 0 "[ . 1 . ]" 4
35 1 33 LYS HA 1 47 ILE MD 3.820 . 5.940 4.293 2.911 4.984 . 0 0 "[ . 1 . ]" 4
36 1 33 LYS HA 1 53 VAL QG 3.790 . 5.880 2.707 2.417 3.506 . 0 0 "[ . 1 . ]" 4
37 1 33 LYS QB 1 53 VAL QG 3.290 . 4.880 2.890 2.073 3.263 . 0 0 "[ . 1 . ]" 4
38 1 33 LYS QD 1 47 ILE MG 3.520 . 5.340 3.970 3.914 4.001 . 0 0 "[ . 1 . ]" 4
39 1 33 LYS QD 1 53 VAL QG 3.270 . 4.840 2.189 1.730 3.063 . 0 0 "[ . 1 . ]" 4
40 1 33 LYS QE 1 53 VAL QG 3.850 . 6.000 2.150 1.831 3.455 . 0 0 "[ . 1 . ]" 4
41 2 33 LYS HA 2 47 ILE MD 3.820 . 5.940 4.293 2.911 4.984 . 0 0 "[ . 1 . ]" 4
42 2 33 LYS HA 2 53 VAL QG 3.790 . 5.880 2.707 2.417 3.506 . 0 0 "[ . 1 . ]" 4
43 2 33 LYS QB 2 53 VAL QG 3.290 . 4.880 2.890 2.074 3.263 . 0 0 "[ . 1 . ]" 4
44 2 33 LYS QD 2 47 ILE MG 3.520 . 5.340 3.970 3.912 4.002 . 0 0 "[ . 1 . ]" 4
45 2 33 LYS QD 2 53 VAL QG 3.270 . 4.840 2.189 1.731 3.063 . 0 0 "[ . 1 . ]" 4
46 2 33 LYS QE 2 53 VAL QG 3.850 . 6.000 2.150 1.830 3.456 . 0 0 "[ . 1 . ]" 4
47 1 17 TYR QE 1 35 LEU HA 3.740 . 5.780 3.790 2.511 4.466 . 0 0 "[ . 1 . ]" 4
48 1 13 VAL QG 1 35 LEU QD 3.480 . 5.260 2.025 1.521 2.433 0.179 10 0 "[ . 1 . ]" 4
49 1 17 TYR QB 1 35 LEU QD 2.680 . 3.660 2.271 2.029 2.430 . 0 0 "[ . 1 . ]" 4
50 1 17 TYR QD 1 35 LEU QD 3.350 . 5.000 2.295 1.763 3.095 . 0 0 "[ . 1 . ]" 4
51 1 17 TYR QE 1 35 LEU QD 3.770 . 5.840 2.686 1.912 3.319 . 0 0 "[ . 1 . ]" 4
52 2 17 TYR QE 2 35 LEU HA 3.740 . 5.780 3.790 2.511 4.466 . 0 0 "[ . 1 . ]" 4
53 2 13 VAL QG 2 35 LEU QD 3.480 . 5.260 2.025 1.522 2.433 0.178 10 0 "[ . 1 . ]" 4
54 2 17 TYR QB 2 35 LEU QD 2.680 . 3.660 2.272 2.029 2.431 . 0 0 "[ . 1 . ]" 4
55 2 17 TYR QD 2 35 LEU QD 3.350 . 5.000 2.295 1.764 3.094 . 0 0 "[ . 1 . ]" 4
56 2 17 TYR QE 2 35 LEU QD 3.770 . 5.840 2.686 1.912 3.319 . 0 0 "[ . 1 . ]" 4
57 1 36 ILE HB 1 47 ILE MD 3.850 . 6.000 3.975 2.508 5.003 . 0 0 "[ . 1 . ]" 4
58 1 36 ILE HB 1 47 ILE MG 2.940 . 4.170 3.434 3.087 3.527 . 0 0 "[ . 1 . ]" 4
59 1 36 ILE MD 1 47 ILE MD 3.850 . 6.000 2.462 1.698 3.987 0.002 10 0 "[ . 1 . ]" 4
60 1 36 ILE MD 1 53 VAL QG 3.120 . 4.540 2.517 1.921 2.822 . 0 0 "[ . 1 . ]" 4
61 1 36 ILE MG 1 44 LEU QB 3.850 . 6.000 3.355 1.801 4.452 . 0 0 "[ . 1 . ]" 4
62 1 36 ILE MG 1 47 ILE MD 3.390 . 5.080 2.842 1.742 3.533 . 0 0 "[ . 1 . ]" 4
63 1 36 ILE MG 1 47 ILE MG 2.650 . 3.590 2.225 1.816 2.505 . 0 0 "[ . 1 . ]" 4
64 2 36 ILE HB 2 47 ILE MD 3.850 . 6.000 3.975 2.507 5.004 . 0 0 "[ . 1 . ]" 4
65 2 36 ILE HB 2 47 ILE MG 2.940 . 4.170 3.434 3.088 3.528 . 0 0 "[ . 1 . ]" 4
66 2 36 ILE MD 2 47 ILE MD 3.850 . 6.000 2.462 1.698 3.986 0.002 10 0 "[ . 1 . ]" 4
67 2 36 ILE MD 2 53 VAL QG 3.120 . 4.540 2.517 1.920 2.823 . 0 0 "[ . 1 . ]" 4
68 2 36 ILE MG 2 44 LEU QB 3.850 . 6.000 3.355 1.801 4.452 . 0 0 "[ . 1 . ]" 4
69 2 36 ILE MG 2 47 ILE MD 3.390 . 5.080 2.842 1.742 3.533 . 0 0 "[ . 1 . ]" 4
70 2 36 ILE MG 2 47 ILE MG 2.650 . 3.590 2.225 1.817 2.507 . 0 0 "[ . 1 . ]" 4
71 1 17 TYR QE 1 38 ASN QB 3.100 . 4.500 3.543 2.926 3.633 . 0 0 "[ . 1 . ]" 4
72 2 17 TYR QE 2 38 ASN QB 3.100 . 4.500 3.543 2.926 3.632 . 0 0 "[ . 1 . ]" 4
73 1 36 ILE MD 1 44 LEU HA 3.850 . 6.000 5.015 4.984 5.031 . 0 0 "[ . 1 . ]" 4
74 1 36 ILE MG 1 44 LEU HA 3.850 . 6.000 3.560 2.662 5.003 . 0 0 "[ . 1 . ]" 4
75 2 36 ILE MD 2 44 LEU HA 3.850 . 6.000 5.015 4.983 5.032 . 0 0 "[ . 1 . ]" 4
76 2 36 ILE MG 2 44 LEU HA 3.850 . 6.000 3.560 2.663 5.002 . 0 0 "[ . 1 . ]" 4
77 1 33 LYS QE 1 47 ILE MG 3.850 . 6.000 4.288 4.085 4.469 . 0 0 "[ . 1 . ]" 4
78 1 33 LYS QG 1 47 ILE MG 3.850 . 6.000 3.286 2.563 4.411 . 0 0 "[ . 1 . ]" 4
79 1 47 ILE MG 1 53 VAL HA 3.850 . 6.000 3.076 2.114 4.592 . 0 0 "[ . 1 . ]" 4
80 1 47 ILE MG 1 53 VAL HB 2.940 . 4.180 3.554 3.494 3.629 . 0 0 "[ . 1 . ]" 4
81 1 47 ILE MG 1 53 VAL QG 3.100 . 4.500 1.546 1.458 1.648 0.242 14 0 "[ . 1 . ]" 4
82 2 33 LYS QE 2 47 ILE MG 3.850 . 6.000 4.288 4.085 4.469 . 0 0 "[ . 1 . ]" 4
83 2 33 LYS QG 2 47 ILE MG 3.850 . 6.000 3.286 2.563 4.409 . 0 0 "[ . 1 . ]" 4
84 2 47 ILE MG 2 53 VAL HA 3.850 . 6.000 3.076 2.114 4.592 . 0 0 "[ . 1 . ]" 4
85 2 47 ILE MG 2 53 VAL HB 2.940 . 4.180 3.553 3.494 3.628 . 0 0 "[ . 1 . ]" 4
86 2 47 ILE MG 2 53 VAL QG 3.100 . 4.500 1.546 1.457 1.648 0.243 14 0 "[ . 1 . ]" 4
87 1 47 ILE MD 1 53 VAL HA 3.850 . 6.000 3.830 1.985 5.015 . 0 0 "[ . 1 . ]" 4
88 1 33 LYS QG 1 53 VAL QG 3.710 . 5.710 1.743 1.615 1.878 0.095 9 0 "[ . 1 . ]" 4
89 1 47 ILE HA 1 53 VAL QG 3.850 . 6.000 3.473 2.695 4.441 . 0 0 "[ . 1 . ]" 4
90 1 47 ILE MD 1 53 VAL QG 3.850 . 6.000 2.071 1.630 3.404 0.070 9 0 "[ . 1 . ]" 4
91 2 47 ILE MD 2 53 VAL HA 3.850 . 6.000 3.830 1.985 5.014 . 0 0 "[ . 1 . ]" 4
92 2 33 LYS QG 2 53 VAL QG 3.710 . 5.710 1.743 1.615 1.877 0.095 9 0 "[ . 1 . ]" 4
93 2 47 ILE HA 2 53 VAL QG 3.850 . 6.000 3.473 2.695 4.441 . 0 0 "[ . 1 . ]" 4
94 2 47 ILE MD 2 53 VAL QG 3.850 . 6.000 2.071 1.630 3.405 0.070 9 0 "[ . 1 . ]" 4
95 1 29 LYS QE 1 57 MET ME 3.530 . 5.360 3.369 1.909 3.982 . 0 0 "[ . 1 . ]" 4
96 1 32 LEU QD 1 57 MET ME 3.340 . 4.980 2.743 1.652 3.084 0.048 14 0 "[ . 1 . ]" 4
97 1 33 LYS QE 1 57 MET ME 3.850 . 6.000 4.090 2.751 4.482 . 0 0 "[ . 1 . ]" 4
98 1 57 MET ME 1 68 CYS HA 3.850 . 6.000 4.292 3.722 4.724 . 0 0 "[ . 1 . ]" 4
99 1 57 MET ME 1 68 CYS QB 3.850 . 6.000 2.530 1.853 3.573 . 0 0 "[ . 1 . ]" 4
100 2 29 LYS QE 2 57 MET ME 3.530 . 5.360 3.369 1.910 3.982 . 0 0 "[ . 1 . ]" 4
101 2 32 LEU QD 2 57 MET ME 3.340 . 4.980 2.742 1.651 3.084 0.049 14 0 "[ . 1 . ]" 4
102 2 33 LYS QE 2 57 MET ME 3.850 . 6.000 4.090 2.751 4.483 . 0 0 "[ . 1 . ]" 4
103 2 57 MET ME 2 68 CYS HA 3.850 . 6.000 4.292 3.721 4.724 . 0 0 "[ . 1 . ]" 4
104 2 57 MET ME 2 68 CYS QB 3.850 . 6.000 2.529 1.852 3.573 . 0 0 "[ . 1 . ]" 4
105 1 59 THR HB 1 79 MET ME 3.620 . 5.540 4.588 4.089 4.632 . 0 0 "[ . 1 . ]" 4
106 2 59 THR HB 2 79 MET ME 3.620 . 5.540 4.588 4.090 4.632 . 0 0 "[ . 1 . ]" 4
107 1 27 LEU QB 1 68 CYS QB 3.100 . 4.500 2.516 2.049 3.072 . 0 0 "[ . 1 . ]" 4
108 1 27 LEU QD 1 68 CYS QB 3.220 . 4.740 3.149 3.114 3.166 . 0 0 "[ . 1 . ]" 4
109 1 32 LEU QD 1 68 CYS QB 3.150 . 4.590 2.335 1.722 2.800 . 0 0 "[ . 1 . ]" 4
110 2 27 LEU QB 2 68 CYS QB 3.100 . 4.500 2.516 2.049 3.071 . 0 0 "[ . 1 . ]" 4
111 2 27 LEU QD 2 68 CYS QB 3.220 . 4.740 3.149 3.115 3.165 . 0 0 "[ . 1 . ]" 4
112 2 32 LEU QD 2 68 CYS QB 3.150 . 4.590 2.335 1.722 2.800 . 0 0 "[ . 1 . ]" 4
113 1 26 LYS HA 1 69 ASP HA 3.850 . 6.000 1.861 1.764 2.093 . 0 0 "[ . 1 . ]" 4
114 1 26 LYS QB 1 69 ASP HA 3.100 . 4.500 4.056 4.017 4.094 . 0 0 "[ . 1 . ]" 4
115 1 26 LYS QE 1 69 ASP HA 2.750 . 3.790 3.422 3.337 3.468 . 0 0 "[ . 1 . ]" 4
116 1 26 LYS QG 1 69 ASP HA 3.050 . 4.400 3.336 2.967 3.855 . 0 0 "[ . 1 . ]" 4
117 1 26 LYS HA 1 69 ASP QB 2.690 . 3.680 1.970 1.770 2.113 . 0 0 "[ . 1 . ]" 4
118 1 26 LYS QG 1 69 ASP QB 2.820 . 3.940 2.098 1.755 3.147 . 0 0 "[ . 1 . ]" 4
119 2 26 LYS HA 2 69 ASP HA 3.850 . 6.000 1.861 1.764 2.092 . 0 0 "[ . 1 . ]" 4
120 2 26 LYS QB 2 69 ASP HA 3.100 . 4.500 4.055 4.015 4.093 . 0 0 "[ . 1 . ]" 4
121 2 26 LYS QE 2 69 ASP HA 2.750 . 3.790 3.422 3.337 3.466 . 0 0 "[ . 1 . ]" 4
122 2 26 LYS QG 2 69 ASP HA 3.050 . 4.400 3.336 2.967 3.853 . 0 0 "[ . 1 . ]" 4
123 2 26 LYS HA 2 69 ASP QB 2.690 . 3.680 1.971 1.771 2.112 . 0 0 "[ . 1 . ]" 4
124 2 26 LYS QG 2 69 ASP QB 2.820 . 3.940 2.098 1.754 3.149 . 0 0 "[ . 1 . ]" 4
125 1 14 PHE QD 1 70 PHE HA 3.370 . 5.040 3.022 2.568 3.287 . 0 0 "[ . 1 . ]" 4
126 1 14 PHE QD 1 70 PHE QB 3.130 . 4.560 2.928 2.649 3.518 . 0 0 "[ . 1 . ]" 4
127 2 14 PHE QD 2 70 PHE HA 3.370 . 5.040 3.022 2.568 3.286 . 0 0 "[ . 1 . ]" 4
128 2 14 PHE QD 2 70 PHE QB 3.130 . 4.560 2.928 2.649 3.519 . 0 0 "[ . 1 . ]" 4
129 1 60 LEU QB 1 72 GLU QB 2.930 . 4.160 2.277 1.773 3.071 . 0 0 "[ . 1 . ]" 4
130 1 60 LEU QD 1 72 GLU QB 3.850 . 6.000 2.749 1.896 3.873 . 0 0 "[ . 1 . ]" 4
131 2 60 LEU QB 2 72 GLU QB 2.930 . 4.160 2.276 1.773 3.070 . 0 0 "[ . 1 . ]" 4
132 2 60 LEU QD 2 72 GLU QB 3.850 . 6.000 2.749 1.896 3.873 . 0 0 "[ . 1 . ]" 4
133 1 60 LEU QD 1 75 ALA MB 3.850 . 6.000 3.347 2.033 3.721 . 0 0 "[ . 1 . ]" 4
134 2 60 LEU QD 2 75 ALA MB 3.850 . 6.000 3.347 2.032 3.720 . 0 0 "[ . 1 . ]" 4
135 1 60 LEU QD 1 76 PHE HA 3.500 . 5.300 2.379 1.714 3.700 . 0 0 "[ . 1 . ]" 4
136 1 60 LEU QD 1 76 PHE QB 2.580 . 3.460 1.844 1.662 2.233 0.038 2 0 "[ . 1 . ]" 4
137 2 60 LEU QD 2 76 PHE HA 3.500 . 5.300 2.379 1.714 3.700 . 0 0 "[ . 1 . ]" 4
138 2 60 LEU QD 2 76 PHE QB 2.580 . 3.460 1.844 1.662 2.233 0.038 2 0 "[ . 1 . ]" 4
139 1 59 THR MG 1 79 MET ME 3.650 . 5.590 3.298 2.729 3.896 . 0 0 "[ . 1 . ]" 4
140 2 59 THR MG 2 79 MET ME 3.650 . 5.590 3.298 2.728 3.895 . 0 0 "[ . 1 . ]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 360
_Distance_constraint_stats_list.Viol_count 28
_Distance_constraint_stats_list.Viol_total 19.419
_Distance_constraint_stats_list.Viol_max 0.129
_Distance_constraint_stats_list.Viol_rms 0.0041
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0408
_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 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 3 LEU 0.027 0.016 12 0 "[ . 1 . ]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 5 LYS 0.128 0.128 7 0 "[ . 1 . ]"
1 6 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 8 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 10 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 11 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 12 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 14 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 16 GLN 0.007 0.007 5 0 "[ . 1 . ]"
1 17 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 20 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 25 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 30 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 31 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 36 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 37 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 38 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 39 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 40 LEU 0.089 0.039 13 0 "[ . 1 . ]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 42 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 43 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 47 ILE 0.306 0.116 3 0 "[ . 1 . ]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 50 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 56 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 57 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 59 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 60 LEU 0.014 0.007 6 0 "[ . 1 . ]"
1 61 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 62 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 63 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 67 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 68 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 69 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 70 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 73 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 74 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 76 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 79 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 80 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 81 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 84 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 85 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 86 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 88 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 89 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 90 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 91 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 2 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 3 LEU 0.029 0.016 12 0 "[ . 1 . ]"
2 4 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 5 LYS 0.129 0.129 7 0 "[ . 1 . ]"
2 6 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 8 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 9 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 10 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 11 ILE 0.000 0.000 . 0 "[ . 1 . ]"
2 12 ASP 0.000 0.000 . 0 "[ . 1 . ]"
2 13 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 14 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 16 GLN 0.007 0.007 5 0 "[ . 1 . ]"
2 17 TYR 0.000 0.000 . 0 "[ . 1 . ]"
2 18 SER 0.000 0.000 . 0 "[ . 1 . ]"
2 20 ARG 0.000 0.000 . 0 "[ . 1 . ]"
2 21 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 25 HIS 0.000 0.000 . 0 "[ . 1 . ]"
2 26 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 27 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 28 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 29 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 30 SER 0.000 0.000 . 0 "[ . 1 . ]"
2 31 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 32 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 33 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 34 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 35 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 36 ILE 0.000 0.000 . 0 "[ . 1 . ]"
2 37 ASN 0.000 0.000 . 0 "[ . 1 . ]"
2 38 ASN 0.000 0.000 . 0 "[ . 1 . ]"
2 39 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 40 LEU 0.089 0.040 13 0 "[ . 1 . ]"
2 41 SER 0.000 0.000 . 0 "[ . 1 . ]"
2 42 HIS 0.000 0.000 . 0 "[ . 1 . ]"
2 43 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 45 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 46 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 47 ILE 0.305 0.117 3 0 "[ . 1 . ]"
2 49 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 50 GLN 0.000 0.000 . 0 "[ . 1 . ]"
2 51 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 52 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 53 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 54 ASP 0.000 0.000 . 0 "[ . 1 . ]"
2 55 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 56 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 57 MET 0.000 0.000 . 0 "[ . 1 . ]"
2 58 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 59 THR 0.000 0.000 . 0 "[ . 1 . ]"
2 60 LEU 0.012 0.006 6 0 "[ . 1 . ]"
2 61 ASP 0.000 0.000 . 0 "[ . 1 . ]"
2 62 ASN 0.000 0.000 . 0 "[ . 1 . ]"
2 63 ASP 0.000 0.000 . 0 "[ . 1 . ]"
2 65 ASP 0.000 0.000 . 0 "[ . 1 . ]"
2 67 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 68 CYS 0.000 0.000 . 0 "[ . 1 . ]"
2 69 ASP 0.000 0.000 . 0 "[ . 1 . ]"
2 70 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 71 GLN 0.000 0.000 . 0 "[ . 1 . ]"
2 72 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 73 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 74 MET 0.000 0.000 . 0 "[ . 1 . ]"
2 75 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 76 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 77 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 78 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 79 MET 0.000 0.000 . 0 "[ . 1 . ]"
2 80 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 81 THR 0.000 0.000 . 0 "[ . 1 . ]"
2 83 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 84 CYS 0.000 0.000 . 0 "[ . 1 . ]"
2 85 HIS 0.000 0.000 . 0 "[ . 1 . ]"
2 86 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 88 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 89 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 90 HIS 0.000 0.000 . 0 "[ . 1 . ]"
2 91 GLU 0.000 0.000 . 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLU H 1 2 GLU HA 2.820 . 3.840 2.796 2.773 2.835 . 0 0 "[ . 1 . ]" 5
2 1 2 GLU H 1 2 GLU QB 2.600 . 3.390 2.270 2.099 2.427 . 0 0 "[ . 1 . ]" 5
3 1 2 GLU H 1 2 GLU QG 2.640 . 3.470 2.906 2.254 3.109 . 0 0 "[ . 1 . ]" 5
4 2 2 GLU H 2 2 GLU HA 2.820 . 3.840 2.796 2.773 2.837 . 0 0 "[ . 1 . ]" 5
5 2 2 GLU H 2 2 GLU QB 2.600 . 3.390 2.269 2.099 2.427 . 0 0 "[ . 1 . ]" 5
6 2 2 GLU H 2 2 GLU QG 2.640 . 3.470 2.906 2.255 3.111 . 0 0 "[ . 1 . ]" 5
7 1 3 LEU H 1 3 LEU HA 2.830 . 3.850 2.802 2.730 2.884 . 0 0 "[ . 1 . ]" 5
8 1 3 LEU H 1 3 LEU QB 2.690 . 3.580 2.186 2.035 2.654 . 0 0 "[ . 1 . ]" 5
9 1 3 LEU H 1 3 LEU QD 3.660 . 5.520 2.944 1.981 3.723 . 0 0 "[ . 1 . ]" 5
10 1 3 LEU H 1 3 LEU HG 3.070 . 4.340 3.643 2.467 4.356 0.016 12 0 "[ . 1 . ]" 5
11 2 3 LEU H 2 3 LEU HA 2.830 . 3.850 2.802 2.730 2.883 . 0 0 "[ . 1 . ]" 5
12 2 3 LEU H 2 3 LEU QB 2.690 . 3.580 2.186 2.036 2.651 . 0 0 "[ . 1 . ]" 5
13 2 3 LEU H 2 3 LEU QD 3.660 . 5.520 2.944 1.982 3.722 . 0 0 "[ . 1 . ]" 5
14 2 3 LEU H 2 3 LEU HG 3.070 . 4.340 3.643 2.469 4.356 0.016 12 0 "[ . 1 . ]" 5
15 1 4 GLU H 1 4 GLU HA 2.850 . 3.890 2.865 2.802 2.892 . 0 0 "[ . 1 . ]" 5
16 2 4 GLU H 2 4 GLU HA 2.850 . 3.890 2.865 2.802 2.893 . 0 0 "[ . 1 . ]" 5
17 1 5 LYS H 1 5 LYS HA 2.810 . 3.810 2.843 2.784 2.887 . 0 0 "[ . 1 . ]" 5
18 1 5 LYS H 1 5 LYS QB 2.540 . 3.280 2.472 2.119 2.850 . 0 0 "[ . 1 . ]" 5
19 1 5 LYS H 1 5 LYS QD 2.520 . 3.250 2.741 2.393 2.943 . 0 0 "[ . 1 . ]" 5
20 1 5 LYS H 1 5 LYS QG 2.900 . 4.000 2.477 1.672 3.448 0.128 7 0 "[ . 1 . ]" 5
21 2 5 LYS H 2 5 LYS HA 2.810 . 3.810 2.843 2.785 2.888 . 0 0 "[ . 1 . ]" 5
22 2 5 LYS H 2 5 LYS QB 2.540 . 3.280 2.472 2.119 2.850 . 0 0 "[ . 1 . ]" 5
23 2 5 LYS H 2 5 LYS QD 2.520 . 3.250 2.740 2.393 2.943 . 0 0 "[ . 1 . ]" 5
24 2 5 LYS H 2 5 LYS QG 2.900 . 4.000 2.477 1.671 3.447 0.129 7 0 "[ . 1 . ]" 5
25 1 6 ALA H 1 6 ALA HA 2.790 . 3.770 2.805 2.784 2.830 . 0 0 "[ . 1 . ]" 5
26 1 6 ALA H 1 6 ALA MB 2.900 . 4.000 2.212 2.122 2.237 . 0 0 "[ . 1 . ]" 5
27 2 6 ALA H 2 6 ALA HA 2.790 . 3.770 2.805 2.784 2.830 . 0 0 "[ . 1 . ]" 5
28 2 6 ALA H 2 6 ALA MB 2.900 . 4.000 2.212 2.122 2.236 . 0 0 "[ . 1 . ]" 5
29 1 8 VAL H 1 8 VAL HA 2.830 . 3.870 2.850 2.827 2.878 . 0 0 "[ . 1 . ]" 5
30 1 8 VAL H 1 8 VAL HB 2.480 . 3.160 2.621 2.547 2.663 . 0 0 "[ . 1 . ]" 5
31 1 8 VAL H 1 8 VAL QG 3.760 . 5.720 2.070 1.951 2.365 . 0 0 "[ . 1 . ]" 5
32 2 8 VAL H 2 8 VAL HA 2.830 . 3.870 2.850 2.828 2.879 . 0 0 "[ . 1 . ]" 5
33 2 8 VAL H 2 8 VAL HB 2.480 . 3.160 2.621 2.547 2.664 . 0 0 "[ . 1 . ]" 5
34 2 8 VAL H 2 8 VAL QG 3.760 . 5.720 2.070 1.952 2.367 . 0 0 "[ . 1 . ]" 5
35 1 9 ALA H 1 9 ALA HA 2.810 . 3.830 2.806 2.759 2.835 . 0 0 "[ . 1 . ]" 5
36 1 9 ALA H 1 9 ALA MB 2.870 . 3.930 2.151 2.073 2.233 . 0 0 "[ . 1 . ]" 5
37 2 9 ALA H 2 9 ALA HA 2.810 . 3.830 2.806 2.759 2.835 . 0 0 "[ . 1 . ]" 5
38 2 9 ALA H 2 9 ALA MB 2.870 . 3.930 2.151 2.073 2.233 . 0 0 "[ . 1 . ]" 5
39 1 10 LEU H 1 10 LEU HA 2.820 . 3.840 2.850 2.830 2.867 . 0 0 "[ . 1 . ]" 5
40 1 10 LEU H 1 10 LEU QB 3.720 . 5.640 2.442 2.313 2.741 . 0 0 "[ . 1 . ]" 5
41 1 10 LEU H 1 10 LEU QD 3.250 . 4.700 2.789 2.348 2.972 . 0 0 "[ . 1 . ]" 5
42 1 10 LEU H 1 10 LEU HG 2.650 . 3.500 2.524 1.936 2.708 . 0 0 "[ . 1 . ]" 5
43 2 10 LEU H 2 10 LEU HA 2.820 . 3.840 2.850 2.831 2.868 . 0 0 "[ . 1 . ]" 5
44 2 10 LEU H 2 10 LEU QB 3.720 . 5.640 2.442 2.313 2.740 . 0 0 "[ . 1 . ]" 5
45 2 10 LEU H 2 10 LEU QD 3.250 . 4.700 2.789 2.349 2.972 . 0 0 "[ . 1 . ]" 5
46 2 10 LEU H 2 10 LEU HG 2.650 . 3.500 2.524 1.936 2.709 . 0 0 "[ . 1 . ]" 5
47 1 11 ILE H 1 11 ILE HA 2.870 . 3.940 2.789 2.701 2.853 . 0 0 "[ . 1 . ]" 5
48 1 11 ILE H 1 11 ILE HB 2.810 . 3.830 2.832 2.449 3.299 . 0 0 "[ . 1 . ]" 5
49 1 11 ILE H 1 11 ILE MD 3.330 . 4.870 3.310 2.443 4.150 . 0 0 "[ . 1 . ]" 5
50 1 11 ILE H 1 11 ILE MG 3.060 . 4.330 3.480 1.958 3.718 . 0 0 "[ . 1 . ]" 5
51 2 11 ILE H 2 11 ILE HA 2.870 . 3.940 2.789 2.701 2.852 . 0 0 "[ . 1 . ]" 5
52 2 11 ILE H 2 11 ILE HB 2.810 . 3.830 2.832 2.450 3.298 . 0 0 "[ . 1 . ]" 5
53 2 11 ILE H 2 11 ILE MD 3.330 . 4.870 3.310 2.443 4.151 . 0 0 "[ . 1 . ]" 5
54 2 11 ILE H 2 11 ILE MG 3.060 . 4.330 3.480 1.959 3.718 . 0 0 "[ . 1 . ]" 5
55 1 12 ASP H 1 12 ASP HA 2.870 . 3.940 2.756 2.712 2.786 . 0 0 "[ . 1 . ]" 5
56 1 12 ASP H 1 12 ASP QB 2.740 . 3.680 2.146 2.060 2.250 . 0 0 "[ . 1 . ]" 5
57 2 12 ASP H 2 12 ASP HA 2.870 . 3.940 2.756 2.712 2.784 . 0 0 "[ . 1 . ]" 5
58 2 12 ASP H 2 12 ASP QB 2.740 . 3.680 2.146 2.061 2.250 . 0 0 "[ . 1 . ]" 5
59 1 13 VAL H 1 13 VAL HA 2.840 . 3.880 2.801 2.725 2.868 . 0 0 "[ . 1 . ]" 5
60 1 13 VAL H 1 13 VAL HB 2.680 . 3.560 2.698 2.604 2.794 . 0 0 "[ . 1 . ]" 5
61 2 13 VAL H 2 13 VAL HA 2.840 . 3.880 2.801 2.726 2.869 . 0 0 "[ . 1 . ]" 5
62 2 13 VAL H 2 13 VAL HB 2.680 . 3.560 2.698 2.601 2.793 . 0 0 "[ . 1 . ]" 5
63 1 14 PHE H 1 14 PHE HA 2.820 . 3.840 2.861 2.800 2.887 . 0 0 "[ . 1 . ]" 5
64 1 14 PHE H 1 14 PHE QB 2.770 . 3.750 2.082 2.028 2.168 . 0 0 "[ . 1 . ]" 5
65 1 14 PHE H 1 14 PHE QD 3.280 . 4.760 3.202 2.936 3.407 . 0 0 "[ . 1 . ]" 5
66 2 14 PHE H 2 14 PHE HA 2.820 . 3.840 2.860 2.799 2.887 . 0 0 "[ . 1 . ]" 5
67 2 14 PHE H 2 14 PHE QB 2.770 . 3.750 2.082 2.029 2.168 . 0 0 "[ . 1 . ]" 5
68 2 14 PHE H 2 14 PHE QD 3.280 . 4.760 3.202 2.936 3.407 . 0 0 "[ . 1 . ]" 5
69 1 16 GLN H 1 16 GLN HA 2.780 . 3.760 2.887 2.871 2.892 . 0 0 "[ . 1 . ]" 5
70 1 16 GLN H 1 16 GLN QB 2.730 . 3.670 2.211 2.093 2.718 . 0 0 "[ . 1 . ]" 5
71 1 16 GLN H 1 16 GLN HE22 3.900 . 6.000 5.453 4.790 6.007 0.007 5 0 "[ . 1 . ]" 5
72 1 16 GLN H 1 16 GLN QG 3.190 . 4.580 3.463 2.072 4.070 . 0 0 "[ . 1 . ]" 5
73 2 16 GLN H 2 16 GLN HA 2.780 . 3.760 2.887 2.872 2.892 . 0 0 "[ . 1 . ]" 5
74 2 16 GLN H 2 16 GLN QB 2.730 . 3.670 2.211 2.094 2.717 . 0 0 "[ . 1 . ]" 5
75 2 16 GLN H 2 16 GLN HE22 3.900 . 6.000 5.453 4.791 6.007 0.007 5 0 "[ . 1 . ]" 5
76 2 16 GLN H 2 16 GLN QG 3.190 . 4.580 3.463 2.073 4.071 . 0 0 "[ . 1 . ]" 5
77 1 17 TYR H 1 17 TYR HA 2.810 . 3.820 2.887 2.872 2.896 . 0 0 "[ . 1 . ]" 5
78 1 17 TYR H 1 17 TYR QB 2.890 . 3.970 2.155 2.122 2.217 . 0 0 "[ . 1 . ]" 5
79 2 17 TYR H 2 17 TYR HA 2.810 . 3.820 2.887 2.874 2.896 . 0 0 "[ . 1 . ]" 5
80 2 17 TYR H 2 17 TYR QB 2.890 . 3.970 2.154 2.122 2.217 . 0 0 "[ . 1 . ]" 5
81 1 18 SER H 1 18 SER HA 2.900 . 4.000 2.778 2.665 2.840 . 0 0 "[ . 1 . ]" 5
82 1 18 SER H 1 18 SER QB 2.940 . 4.080 2.193 2.082 2.559 . 0 0 "[ . 1 . ]" 5
83 2 18 SER H 2 18 SER HA 2.900 . 4.000 2.778 2.667 2.840 . 0 0 "[ . 1 . ]" 5
84 2 18 SER H 2 18 SER QB 2.940 . 4.080 2.193 2.082 2.558 . 0 0 "[ . 1 . ]" 5
85 1 20 ARG H 1 20 ARG HA 2.810 . 3.830 2.849 2.758 2.940 . 0 0 "[ . 1 . ]" 5
86 1 20 ARG H 1 20 ARG QB 2.870 . 3.940 2.403 2.046 2.743 . 0 0 "[ . 1 . ]" 5
87 1 20 ARG H 1 20 ARG QG 2.960 . 4.120 2.721 1.919 3.673 . 0 0 "[ . 1 . ]" 5
88 2 20 ARG H 2 20 ARG HA 2.810 . 3.830 2.849 2.758 2.941 . 0 0 "[ . 1 . ]" 5
89 2 20 ARG H 2 20 ARG QB 2.870 . 3.940 2.404 2.046 2.746 . 0 0 "[ . 1 . ]" 5
90 2 20 ARG H 2 20 ARG QG 2.960 . 4.120 2.722 1.917 3.673 . 0 0 "[ . 1 . ]" 5
91 1 21 GLU H 1 21 GLU HA 2.920 . 4.040 2.885 2.786 2.948 . 0 0 "[ . 1 . ]" 5
92 1 21 GLU H 1 21 GLU QB 2.660 . 3.520 2.644 2.132 3.157 . 0 0 "[ . 1 . ]" 5
93 1 21 GLU H 1 21 GLU QG 2.720 . 3.640 2.579 1.980 3.245 . 0 0 "[ . 1 . ]" 5
94 2 21 GLU H 2 21 GLU HA 2.920 . 4.040 2.885 2.786 2.949 . 0 0 "[ . 1 . ]" 5
95 2 21 GLU H 2 21 GLU QB 2.660 . 3.520 2.644 2.131 3.158 . 0 0 "[ . 1 . ]" 5
96 2 21 GLU H 2 21 GLU QG 2.720 . 3.640 2.579 1.979 3.245 . 0 0 "[ . 1 . ]" 5
97 1 25 HIS H 1 25 HIS HA 2.880 . 3.960 2.682 2.266 2.944 . 0 0 "[ . 1 . ]" 5
98 1 25 HIS H 1 25 HIS QB 3.270 . 4.750 2.913 2.560 3.124 . 0 0 "[ . 1 . ]" 5
99 2 25 HIS H 2 25 HIS HA 2.880 . 3.960 2.681 2.267 2.944 . 0 0 "[ . 1 . ]" 5
100 2 25 HIS H 2 25 HIS QB 3.270 . 4.750 2.913 2.560 3.123 . 0 0 "[ . 1 . ]" 5
101 1 26 LYS H 1 26 LYS HA 2.900 . 4.000 2.884 2.797 2.938 . 0 0 "[ . 1 . ]" 5
102 2 26 LYS H 2 26 LYS HA 2.900 . 4.000 2.884 2.798 2.937 . 0 0 "[ . 1 . ]" 5
103 1 27 LEU H 1 27 LEU QB 3.400 . 5.000 2.683 2.510 2.825 . 0 0 "[ . 1 . ]" 5
104 1 27 LEU H 1 27 LEU QD 3.900 . 6.000 2.737 2.439 3.118 . 0 0 "[ . 1 . ]" 5
105 1 27 LEU H 1 27 LEU HG 3.290 . 4.780 4.158 3.474 4.758 . 0 0 "[ . 1 . ]" 5
106 2 27 LEU H 2 27 LEU QB 3.400 . 5.000 2.683 2.509 2.825 . 0 0 "[ . 1 . ]" 5
107 2 27 LEU H 2 27 LEU QD 3.900 . 6.000 2.737 2.439 3.117 . 0 0 "[ . 1 . ]" 5
108 2 27 LEU H 2 27 LEU HG 3.290 . 4.780 4.158 3.474 4.759 . 0 0 "[ . 1 . ]" 5
109 1 28 LYS H 1 28 LYS HA 2.980 . 4.160 2.929 2.896 2.950 . 0 0 "[ . 1 . ]" 5
110 2 28 LYS H 2 28 LYS HA 2.980 . 4.160 2.929 2.897 2.947 . 0 0 "[ . 1 . ]" 5
111 1 29 LYS H 1 29 LYS HA 2.880 . 3.960 2.759 2.719 2.794 . 0 0 "[ . 1 . ]" 5
112 1 29 LYS H 1 29 LYS QB 2.980 . 4.160 2.482 2.070 2.774 . 0 0 "[ . 1 . ]" 5
113 2 29 LYS H 2 29 LYS HA 2.880 . 3.960 2.759 2.719 2.794 . 0 0 "[ . 1 . ]" 5
114 2 29 LYS H 2 29 LYS QB 2.980 . 4.160 2.482 2.070 2.773 . 0 0 "[ . 1 . ]" 5
115 1 30 SER H 1 30 SER HA 2.920 . 4.040 2.869 2.784 2.890 . 0 0 "[ . 1 . ]" 5
116 2 30 SER H 2 30 SER HA 2.920 . 4.040 2.869 2.783 2.891 . 0 0 "[ . 1 . ]" 5
117 1 31 GLU H 1 31 GLU HA 2.820 . 3.840 2.847 2.809 2.882 . 0 0 "[ . 1 . ]" 5
118 1 31 GLU H 1 31 GLU QB 2.560 . 3.330 2.317 2.097 2.614 . 0 0 "[ . 1 . ]" 5
119 2 31 GLU H 2 31 GLU HA 2.820 . 3.840 2.847 2.808 2.883 . 0 0 "[ . 1 . ]" 5
120 2 31 GLU H 2 31 GLU QB 2.560 . 3.330 2.317 2.096 2.614 . 0 0 "[ . 1 . ]" 5
121 1 32 LEU H 1 32 LEU HA 2.830 . 3.860 2.735 2.696 2.848 . 0 0 "[ . 1 . ]" 5
122 1 32 LEU H 1 32 LEU QB 2.700 . 3.600 2.204 2.137 2.243 . 0 0 "[ . 1 . ]" 5
123 2 32 LEU H 2 32 LEU HA 2.830 . 3.860 2.735 2.696 2.849 . 0 0 "[ . 1 . ]" 5
124 2 32 LEU H 2 32 LEU QB 2.700 . 3.600 2.204 2.137 2.244 . 0 0 "[ . 1 . ]" 5
125 1 33 LYS H 1 33 LYS HA 2.790 . 3.790 2.752 2.706 2.810 . 0 0 "[ . 1 . ]" 5
126 1 33 LYS H 1 33 LYS QB 2.790 . 3.790 2.330 2.115 2.623 . 0 0 "[ . 1 . ]" 5
127 2 33 LYS H 2 33 LYS HA 2.790 . 3.790 2.752 2.707 2.810 . 0 0 "[ . 1 . ]" 5
128 2 33 LYS H 2 33 LYS QB 2.790 . 3.790 2.331 2.115 2.622 . 0 0 "[ . 1 . ]" 5
129 1 34 GLU H 1 34 GLU HA 2.790 . 3.790 2.762 2.711 2.808 . 0 0 "[ . 1 . ]" 5
130 1 34 GLU H 1 34 GLU QB 2.690 . 3.570 2.207 2.016 2.548 . 0 0 "[ . 1 . ]" 5
131 1 34 GLU H 1 34 GLU QG 2.770 . 3.740 2.843 2.112 3.390 . 0 0 "[ . 1 . ]" 5
132 2 34 GLU H 2 34 GLU HA 2.790 . 3.790 2.762 2.712 2.808 . 0 0 "[ . 1 . ]" 5
133 2 34 GLU H 2 34 GLU QB 2.690 . 3.570 2.207 2.016 2.546 . 0 0 "[ . 1 . ]" 5
134 2 34 GLU H 2 34 GLU QG 2.770 . 3.740 2.843 2.114 3.388 . 0 0 "[ . 1 . ]" 5
135 1 35 LEU H 1 35 LEU HA 2.810 . 3.820 2.777 2.691 2.830 . 0 0 "[ . 1 . ]" 5
136 1 35 LEU H 1 35 LEU QB 2.740 . 3.680 2.393 2.143 2.599 . 0 0 "[ . 1 . ]" 5
137 2 35 LEU H 2 35 LEU HA 2.810 . 3.820 2.777 2.691 2.830 . 0 0 "[ . 1 . ]" 5
138 2 35 LEU H 2 35 LEU QB 2.740 . 3.680 2.393 2.144 2.598 . 0 0 "[ . 1 . ]" 5
139 1 36 ILE H 1 36 ILE HA 2.810 . 3.830 2.781 2.728 2.813 . 0 0 "[ . 1 . ]" 5
140 1 36 ILE H 1 36 ILE HB 2.500 . 3.210 2.488 2.192 2.681 . 0 0 "[ . 1 . ]" 5
141 1 36 ILE H 1 36 ILE QG 2.900 . 4.000 2.426 2.111 3.032 . 0 0 "[ . 1 . ]" 5
142 1 36 ILE H 1 36 ILE MG 3.460 . 5.130 3.749 3.533 3.798 . 0 0 "[ . 1 . ]" 5
143 2 36 ILE H 2 36 ILE HA 2.810 . 3.830 2.780 2.728 2.813 . 0 0 "[ . 1 . ]" 5
144 2 36 ILE H 2 36 ILE HB 2.500 . 3.210 2.488 2.192 2.682 . 0 0 "[ . 1 . ]" 5
145 2 36 ILE H 2 36 ILE QG 2.900 . 4.000 2.426 2.111 3.032 . 0 0 "[ . 1 . ]" 5
146 2 36 ILE H 2 36 ILE MG 3.460 . 5.130 3.749 3.534 3.798 . 0 0 "[ . 1 . ]" 5
147 1 37 ASN H 1 37 ASN HA 2.850 . 3.910 2.863 2.788 2.913 . 0 0 "[ . 1 . ]" 5
148 1 37 ASN H 1 37 ASN QB 2.580 . 3.370 2.391 2.103 2.804 . 0 0 "[ . 1 . ]" 5
149 2 37 ASN H 2 37 ASN HA 2.850 . 3.910 2.863 2.790 2.914 . 0 0 "[ . 1 . ]" 5
150 2 37 ASN H 2 37 ASN QB 2.580 . 3.370 2.391 2.102 2.804 . 0 0 "[ . 1 . ]" 5
151 1 38 ASN H 1 38 ASN HA 2.840 . 3.880 2.889 2.838 2.920 . 0 0 "[ . 1 . ]" 5
152 1 38 ASN H 1 38 ASN QB 2.600 . 3.410 2.307 2.207 2.364 . 0 0 "[ . 1 . ]" 5
153 2 38 ASN H 2 38 ASN HA 2.840 . 3.880 2.890 2.838 2.919 . 0 0 "[ . 1 . ]" 5
154 2 38 ASN H 2 38 ASN QB 2.600 . 3.410 2.307 2.207 2.363 . 0 0 "[ . 1 . ]" 5
155 1 39 GLU H 1 39 GLU HA 2.860 . 3.920 2.911 2.811 2.952 . 0 0 "[ . 1 . ]" 5
156 1 39 GLU H 1 39 GLU QB 2.700 . 3.600 2.816 2.277 3.275 . 0 0 "[ . 1 . ]" 5
157 1 39 GLU H 1 39 GLU QG 2.660 . 3.520 2.831 2.440 3.148 . 0 0 "[ . 1 . ]" 5
158 2 39 GLU H 2 39 GLU HA 2.860 . 3.920 2.911 2.812 2.951 . 0 0 "[ . 1 . ]" 5
159 2 39 GLU H 2 39 GLU QB 2.700 . 3.600 2.816 2.277 3.275 . 0 0 "[ . 1 . ]" 5
160 2 39 GLU H 2 39 GLU QG 2.660 . 3.520 2.831 2.440 3.148 . 0 0 "[ . 1 . ]" 5
161 1 40 LEU H 1 40 LEU HA 2.900 . 4.000 2.909 2.872 2.956 . 0 0 "[ . 1 . ]" 5
162 1 40 LEU H 1 40 LEU QB 2.810 . 3.830 2.629 2.098 2.923 . 0 0 "[ . 1 . ]" 5
163 1 40 LEU H 1 40 LEU QD 3.570 . 5.340 3.207 1.789 3.764 0.011 13 0 "[ . 1 . ]" 5
164 1 40 LEU H 1 40 LEU HG 2.750 . 3.710 3.227 1.948 3.749 0.039 13 0 "[ . 1 . ]" 5
165 2 40 LEU H 2 40 LEU HA 2.900 . 4.000 2.908 2.871 2.954 . 0 0 "[ . 1 . ]" 5
166 2 40 LEU H 2 40 LEU QB 2.810 . 3.830 2.629 2.097 2.922 . 0 0 "[ . 1 . ]" 5
167 2 40 LEU H 2 40 LEU QD 3.570 . 5.340 3.207 1.789 3.768 0.011 13 0 "[ . 1 . ]" 5
168 2 40 LEU H 2 40 LEU HG 2.750 . 3.710 3.227 1.947 3.750 0.040 13 0 "[ . 1 . ]" 5
169 1 41 SER H 1 41 SER HA 2.880 . 3.960 2.716 2.272 2.940 . 0 0 "[ . 1 . ]" 5
170 1 41 SER H 1 41 SER QB 2.770 . 3.740 2.714 2.109 3.280 . 0 0 "[ . 1 . ]" 5
171 2 41 SER H 2 41 SER HA 2.880 . 3.960 2.716 2.271 2.941 . 0 0 "[ . 1 . ]" 5
172 2 41 SER H 2 41 SER QB 2.770 . 3.740 2.715 2.109 3.281 . 0 0 "[ . 1 . ]" 5
173 1 42 HIS H 1 42 HIS HA 2.940 . 4.080 2.774 2.276 2.948 . 0 0 "[ . 1 . ]" 5
174 1 42 HIS H 1 42 HIS QB 2.850 . 3.900 2.714 2.090 3.354 . 0 0 "[ . 1 . ]" 5
175 2 42 HIS H 2 42 HIS HA 2.940 . 4.080 2.774 2.275 2.948 . 0 0 "[ . 1 . ]" 5
176 2 42 HIS H 2 42 HIS QB 2.850 . 3.900 2.713 2.089 3.354 . 0 0 "[ . 1 . ]" 5
177 1 43 PHE H 1 43 PHE HA 2.980 . 4.170 2.887 2.802 2.948 . 0 0 "[ . 1 . ]" 5
178 1 43 PHE H 1 43 PHE QB 2.710 . 3.620 2.582 2.080 3.227 . 0 0 "[ . 1 . ]" 5
179 2 43 PHE H 2 43 PHE HA 2.980 . 4.170 2.887 2.801 2.947 . 0 0 "[ . 1 . ]" 5
180 2 43 PHE H 2 43 PHE QB 2.710 . 3.620 2.582 2.081 3.229 . 0 0 "[ . 1 . ]" 5
181 1 45 GLU H 1 45 GLU HA 2.770 . 3.740 2.677 2.270 2.946 . 0 0 "[ . 1 . ]" 5
182 2 45 GLU H 2 45 GLU HA 2.770 . 3.740 2.677 2.271 2.946 . 0 0 "[ . 1 . ]" 5
183 1 46 GLU H 1 46 GLU HA 2.830 . 3.850 2.675 2.272 2.943 . 0 0 "[ . 1 . ]" 5
184 1 46 GLU H 1 46 GLU QB 2.920 . 4.040 2.717 2.170 3.461 . 0 0 "[ . 1 . ]" 5
185 2 46 GLU H 2 46 GLU HA 2.830 . 3.850 2.675 2.272 2.942 . 0 0 "[ . 1 . ]" 5
186 2 46 GLU H 2 46 GLU QB 2.920 . 4.040 2.717 2.170 3.460 . 0 0 "[ . 1 . ]" 5
187 1 47 ILE H 1 47 ILE HA 2.980 . 4.160 2.639 2.260 2.947 . 0 0 "[ . 1 . ]" 5
188 1 47 ILE H 1 47 ILE HB 2.840 . 3.880 3.427 2.980 3.996 0.116 3 0 "[ . 1 . ]" 5
189 1 47 ILE H 1 47 ILE MG 3.670 . 5.540 3.384 2.454 4.000 . 0 0 "[ . 1 . ]" 5
190 2 47 ILE H 2 47 ILE HA 2.980 . 4.160 2.640 2.261 2.947 . 0 0 "[ . 1 . ]" 5
191 2 47 ILE H 2 47 ILE HB 2.840 . 3.880 3.427 2.979 3.997 0.117 3 0 "[ . 1 . ]" 5
192 2 47 ILE H 2 47 ILE MG 3.670 . 5.540 3.385 2.454 3.999 . 0 0 "[ . 1 . ]" 5
193 1 49 GLU H 1 49 GLU HA 2.790 . 3.780 2.830 2.723 2.945 . 0 0 "[ . 1 . ]" 5
194 1 49 GLU H 1 49 GLU QB 2.880 . 3.960 2.791 2.082 3.064 . 0 0 "[ . 1 . ]" 5
195 2 49 GLU H 2 49 GLU HA 2.790 . 3.780 2.830 2.723 2.946 . 0 0 "[ . 1 . ]" 5
196 2 49 GLU H 2 49 GLU QB 2.880 . 3.960 2.791 2.083 3.064 . 0 0 "[ . 1 . ]" 5
197 1 50 GLN H 1 50 GLN QB 3.400 . 5.000 2.331 2.079 2.740 . 0 0 "[ . 1 . ]" 5
198 2 50 GLN H 2 50 GLN QB 3.400 . 5.000 2.331 2.079 2.740 . 0 0 "[ . 1 . ]" 5
199 1 51 GLU H 1 51 GLU HA 2.780 . 3.760 2.836 2.797 2.881 . 0 0 "[ . 1 . ]" 5
200 1 51 GLU H 1 51 GLU QB 2.590 . 3.380 2.719 2.570 2.832 . 0 0 "[ . 1 . ]" 5
201 1 51 GLU H 1 51 GLU QG 2.690 . 3.580 1.926 1.903 2.030 . 0 0 "[ . 1 . ]" 5
202 2 51 GLU H 2 51 GLU HA 2.780 . 3.760 2.837 2.799 2.881 . 0 0 "[ . 1 . ]" 5
203 2 51 GLU H 2 51 GLU QB 2.590 . 3.380 2.720 2.570 2.831 . 0 0 "[ . 1 . ]" 5
204 2 51 GLU H 2 51 GLU QG 2.690 . 3.580 1.927 1.904 2.030 . 0 0 "[ . 1 . ]" 5
205 1 52 VAL H 1 52 VAL HA 2.820 . 3.840 2.812 2.801 2.841 . 0 0 "[ . 1 . ]" 5
206 1 52 VAL H 1 52 VAL QG 3.350 . 4.910 1.929 1.861 2.008 . 0 0 "[ . 1 . ]" 5
207 2 52 VAL H 2 52 VAL HA 2.820 . 3.840 2.812 2.801 2.842 . 0 0 "[ . 1 . ]" 5
208 2 52 VAL H 2 52 VAL QG 3.350 . 4.910 1.929 1.861 2.008 . 0 0 "[ . 1 . ]" 5
209 1 53 VAL H 1 53 VAL HA 2.830 . 3.870 2.780 2.725 2.826 . 0 0 "[ . 1 . ]" 5
210 1 53 VAL H 1 53 VAL HB 3.900 . 6.000 2.900 2.447 3.259 . 0 0 "[ . 1 . ]" 5
211 1 53 VAL H 1 53 VAL QG 2.900 . 4.000 1.924 1.810 2.113 . 0 0 "[ . 1 . ]" 5
212 2 53 VAL H 2 53 VAL HA 2.830 . 3.870 2.780 2.724 2.826 . 0 0 "[ . 1 . ]" 5
213 2 53 VAL H 2 53 VAL HB 3.900 . 6.000 2.900 2.446 3.259 . 0 0 "[ . 1 . ]" 5
214 2 53 VAL H 2 53 VAL QG 2.900 . 4.000 1.924 1.810 2.114 . 0 0 "[ . 1 . ]" 5
215 1 54 ASP H 1 54 ASP HA 2.780 . 3.760 2.768 2.715 2.862 . 0 0 "[ . 1 . ]" 5
216 2 54 ASP H 2 54 ASP HA 2.780 . 3.760 2.768 2.716 2.861 . 0 0 "[ . 1 . ]" 5
217 1 55 LYS H 1 55 LYS HA 2.790 . 3.770 2.859 2.808 2.896 . 0 0 "[ . 1 . ]" 5
218 1 55 LYS H 1 55 LYS QB 2.650 . 3.500 2.158 2.113 2.211 . 0 0 "[ . 1 . ]" 5
219 1 55 LYS H 1 55 LYS QG 3.040 . 4.290 3.805 3.587 3.891 . 0 0 "[ . 1 . ]" 5
220 2 55 LYS H 2 55 LYS HA 2.790 . 3.770 2.859 2.808 2.895 . 0 0 "[ . 1 . ]" 5
221 2 55 LYS H 2 55 LYS QB 2.650 . 3.500 2.158 2.112 2.211 . 0 0 "[ . 1 . ]" 5
222 2 55 LYS H 2 55 LYS QG 3.040 . 4.290 3.806 3.586 3.891 . 0 0 "[ . 1 . ]" 5
223 1 56 VAL H 1 56 VAL HA 2.920 . 4.040 2.808 2.783 2.845 . 0 0 "[ . 1 . ]" 5
224 1 56 VAL H 1 56 VAL HB 2.450 . 3.100 2.544 2.445 2.704 . 0 0 "[ . 1 . ]" 5
225 1 56 VAL H 1 56 VAL QG 3.380 . 4.960 2.276 1.915 2.452 . 0 0 "[ . 1 . ]" 5
226 2 56 VAL H 2 56 VAL HA 2.920 . 4.040 2.808 2.782 2.844 . 0 0 "[ . 1 . ]" 5
227 2 56 VAL H 2 56 VAL HB 2.450 . 3.100 2.544 2.446 2.704 . 0 0 "[ . 1 . ]" 5
228 2 56 VAL H 2 56 VAL QG 3.380 . 4.960 2.276 1.916 2.453 . 0 0 "[ . 1 . ]" 5
229 1 57 MET H 1 57 MET HA 2.790 . 3.790 2.816 2.791 2.885 . 0 0 "[ . 1 . ]" 5
230 1 57 MET H 1 57 MET QG 2.910 . 4.020 2.662 1.871 3.679 . 0 0 "[ . 1 . ]" 5
231 2 57 MET H 2 57 MET HA 2.790 . 3.790 2.816 2.792 2.887 . 0 0 "[ . 1 . ]" 5
232 2 57 MET H 2 57 MET QG 2.910 . 4.020 2.662 1.870 3.679 . 0 0 "[ . 1 . ]" 5
233 1 58 GLU H 1 58 GLU HA 2.780 . 3.760 2.861 2.819 2.901 . 0 0 "[ . 1 . ]" 5
234 2 58 GLU H 2 58 GLU HA 2.780 . 3.760 2.860 2.818 2.901 . 0 0 "[ . 1 . ]" 5
235 1 59 THR H 1 59 THR HA 2.790 . 3.770 2.838 2.791 2.881 . 0 0 "[ . 1 . ]" 5
236 1 59 THR H 1 59 THR HB 2.830 . 3.850 2.576 2.270 3.010 . 0 0 "[ . 1 . ]" 5
237 1 59 THR H 1 59 THR MG 3.830 . 5.870 3.702 3.576 3.768 . 0 0 "[ . 1 . ]" 5
238 2 59 THR H 2 59 THR HA 2.790 . 3.770 2.838 2.792 2.881 . 0 0 "[ . 1 . ]" 5
239 2 59 THR H 2 59 THR HB 2.830 . 3.850 2.576 2.271 3.010 . 0 0 "[ . 1 . ]" 5
240 2 59 THR H 2 59 THR MG 3.830 . 5.870 3.702 3.576 3.767 . 0 0 "[ . 1 . ]" 5
241 1 60 LEU H 1 60 LEU HA 2.810 . 3.810 2.914 2.878 2.943 . 0 0 "[ . 1 . ]" 5
242 1 60 LEU H 1 60 LEU QB 2.980 . 4.170 2.431 2.107 2.967 . 0 0 "[ . 1 . ]" 5
243 1 60 LEU H 1 60 LEU QD 3.520 . 5.250 2.989 2.427 3.569 . 0 0 "[ . 1 . ]" 5
244 1 60 LEU H 1 60 LEU HG 2.780 . 3.760 2.908 1.952 3.767 0.007 6 0 "[ . 1 . ]" 5
245 2 60 LEU H 2 60 LEU HA 2.810 . 3.810 2.914 2.878 2.944 . 0 0 "[ . 1 . ]" 5
246 2 60 LEU H 2 60 LEU QB 2.980 . 4.170 2.431 2.107 2.966 . 0 0 "[ . 1 . ]" 5
247 2 60 LEU H 2 60 LEU QD 3.520 . 5.250 2.989 2.427 3.570 . 0 0 "[ . 1 . ]" 5
248 2 60 LEU H 2 60 LEU HG 2.780 . 3.760 2.908 1.952 3.766 0.006 6 0 "[ . 1 . ]" 5
249 1 61 ASP H 1 61 ASP HA 2.810 . 3.830 2.700 2.302 2.752 . 0 0 "[ . 1 . ]" 5
250 1 61 ASP H 1 61 ASP QB 3.000 . 4.200 2.229 2.058 2.713 . 0 0 "[ . 1 . ]" 5
251 2 61 ASP H 2 61 ASP HA 2.810 . 3.830 2.700 2.302 2.752 . 0 0 "[ . 1 . ]" 5
252 2 61 ASP H 2 61 ASP QB 3.000 . 4.200 2.229 2.058 2.713 . 0 0 "[ . 1 . ]" 5
253 1 62 ASN H 1 62 ASN HA 2.830 . 3.860 2.923 2.849 2.950 . 0 0 "[ . 1 . ]" 5
254 1 62 ASN H 1 62 ASN QB 2.540 . 3.290 2.345 2.114 2.587 . 0 0 "[ . 1 . ]" 5
255 2 62 ASN H 2 62 ASN HA 2.830 . 3.860 2.923 2.849 2.950 . 0 0 "[ . 1 . ]" 5
256 2 62 ASN H 2 62 ASN QB 2.540 . 3.290 2.345 2.117 2.588 . 0 0 "[ . 1 . ]" 5
257 1 63 ASP H 1 63 ASP HA 2.790 . 3.770 2.801 2.289 2.930 . 0 0 "[ . 1 . ]" 5
258 1 63 ASP H 1 63 ASP QB 2.990 . 4.180 2.929 2.570 3.423 . 0 0 "[ . 1 . ]" 5
259 2 63 ASP H 2 63 ASP HA 2.790 . 3.770 2.801 2.289 2.930 . 0 0 "[ . 1 . ]" 5
260 2 63 ASP H 2 63 ASP QB 2.990 . 4.180 2.929 2.572 3.423 . 0 0 "[ . 1 . ]" 5
261 1 65 ASP H 1 65 ASP HA 2.790 . 3.770 2.426 2.271 2.825 . 0 0 "[ . 1 . ]" 5
262 1 65 ASP H 1 65 ASP QB 2.850 . 3.900 3.153 2.917 3.481 . 0 0 "[ . 1 . ]" 5
263 2 65 ASP H 2 65 ASP HA 2.790 . 3.770 2.426 2.270 2.825 . 0 0 "[ . 1 . ]" 5
264 2 65 ASP H 2 65 ASP QB 2.850 . 3.900 3.153 2.916 3.481 . 0 0 "[ . 1 . ]" 5
265 1 67 GLU H 1 67 GLU HA 2.800 . 3.800 2.918 2.895 2.940 . 0 0 "[ . 1 . ]" 5
266 1 67 GLU H 1 67 GLU QB 3.210 . 4.620 2.424 2.130 3.065 . 0 0 "[ . 1 . ]" 5
267 1 67 GLU H 1 67 GLU QG 3.360 . 4.920 3.641 2.253 4.152 . 0 0 "[ . 1 . ]" 5
268 2 67 GLU H 2 67 GLU HA 2.800 . 3.800 2.919 2.895 2.941 . 0 0 "[ . 1 . ]" 5
269 2 67 GLU H 2 67 GLU QB 3.210 . 4.620 2.425 2.130 3.064 . 0 0 "[ . 1 . ]" 5
270 2 67 GLU H 2 67 GLU QG 3.360 . 4.920 3.641 2.254 4.152 . 0 0 "[ . 1 . ]" 5
271 1 68 CYS H 1 68 CYS HA 2.900 . 4.000 2.946 2.934 2.954 . 0 0 "[ . 1 . ]" 5
272 1 68 CYS H 1 68 CYS QB 2.620 . 3.440 2.447 2.229 2.838 . 0 0 "[ . 1 . ]" 5
273 2 68 CYS H 2 68 CYS HA 2.900 . 4.000 2.946 2.933 2.955 . 0 0 "[ . 1 . ]" 5
274 2 68 CYS H 2 68 CYS QB 2.620 . 3.440 2.448 2.229 2.836 . 0 0 "[ . 1 . ]" 5
275 1 69 ASP H 1 69 ASP HA 2.900 . 4.000 2.895 2.850 2.941 . 0 0 "[ . 1 . ]" 5
276 1 69 ASP H 1 69 ASP QB 2.940 . 4.090 2.825 2.384 3.070 . 0 0 "[ . 1 . ]" 5
277 2 69 ASP H 2 69 ASP HA 2.900 . 4.000 2.895 2.851 2.940 . 0 0 "[ . 1 . ]" 5
278 2 69 ASP H 2 69 ASP QB 2.940 . 4.090 2.825 2.384 3.069 . 0 0 "[ . 1 . ]" 5
279 1 70 PHE H 1 70 PHE HA 2.850 . 3.890 2.827 2.757 2.854 . 0 0 "[ . 1 . ]" 5
280 1 70 PHE H 1 70 PHE QB 2.790 . 3.780 2.154 2.090 2.250 . 0 0 "[ . 1 . ]" 5
281 1 70 PHE H 1 70 PHE QD 3.170 . 4.540 3.926 3.173 4.103 . 0 0 "[ . 1 . ]" 5
282 2 70 PHE H 2 70 PHE HA 2.850 . 3.890 2.827 2.758 2.854 . 0 0 "[ . 1 . ]" 5
283 2 70 PHE H 2 70 PHE QB 2.790 . 3.780 2.154 2.089 2.250 . 0 0 "[ . 1 . ]" 5
284 2 70 PHE H 2 70 PHE QD 3.170 . 4.540 3.925 3.175 4.104 . 0 0 "[ . 1 . ]" 5
285 1 71 GLN H 1 71 GLN HA 2.790 . 3.790 2.835 2.787 2.889 . 0 0 "[ . 1 . ]" 5
286 1 71 GLN H 1 71 GLN QB 2.420 . 3.030 2.440 2.168 2.713 . 0 0 "[ . 1 . ]" 5
287 2 71 GLN H 2 71 GLN HA 2.790 . 3.790 2.835 2.788 2.889 . 0 0 "[ . 1 . ]" 5
288 2 71 GLN H 2 71 GLN QB 2.420 . 3.030 2.440 2.167 2.712 . 0 0 "[ . 1 . ]" 5
289 1 72 GLU H 1 72 GLU HA 2.820 . 3.840 2.872 2.845 2.898 . 0 0 "[ . 1 . ]" 5
290 1 72 GLU H 1 72 GLU QB 2.770 . 3.750 2.574 2.124 2.719 . 0 0 "[ . 1 . ]" 5
291 1 72 GLU H 1 72 GLU QG 2.810 . 3.820 2.123 1.901 3.412 . 0 0 "[ . 1 . ]" 5
292 2 72 GLU H 2 72 GLU HA 2.820 . 3.840 2.873 2.845 2.898 . 0 0 "[ . 1 . ]" 5
293 2 72 GLU H 2 72 GLU QB 2.770 . 3.750 2.574 2.124 2.720 . 0 0 "[ . 1 . ]" 5
294 2 72 GLU H 2 72 GLU QG 2.810 . 3.820 2.123 1.900 3.412 . 0 0 "[ . 1 . ]" 5
295 1 73 PHE H 1 73 PHE HA 2.810 . 3.830 2.818 2.768 2.891 . 0 0 "[ . 1 . ]" 5
296 1 73 PHE H 1 73 PHE QB 2.880 . 3.960 2.153 1.983 2.498 . 0 0 "[ . 1 . ]" 5
297 2 73 PHE H 2 73 PHE HA 2.810 . 3.830 2.819 2.768 2.892 . 0 0 "[ . 1 . ]" 5
298 2 73 PHE H 2 73 PHE QB 2.880 . 3.960 2.153 1.982 2.498 . 0 0 "[ . 1 . ]" 5
299 1 74 MET H 1 74 MET QB 3.460 . 5.130 2.441 2.214 2.692 . 0 0 "[ . 1 . ]" 5
300 2 74 MET H 2 74 MET QB 3.460 . 5.130 2.441 2.213 2.693 . 0 0 "[ . 1 . ]" 5
301 1 75 ALA H 1 75 ALA HA 2.780 . 3.760 2.810 2.749 2.862 . 0 0 "[ . 1 . ]" 5
302 1 75 ALA H 1 75 ALA MB 3.010 . 4.220 2.164 2.064 2.253 . 0 0 "[ . 1 . ]" 5
303 2 75 ALA H 2 75 ALA HA 2.780 . 3.760 2.810 2.748 2.861 . 0 0 "[ . 1 . ]" 5
304 2 75 ALA H 2 75 ALA MB 3.010 . 4.220 2.164 2.063 2.253 . 0 0 "[ . 1 . ]" 5
305 1 76 PHE H 1 76 PHE HA 2.830 . 3.860 2.835 2.779 2.896 . 0 0 "[ . 1 . ]" 5
306 1 76 PHE H 1 76 PHE QB 3.060 . 4.330 2.217 2.047 2.278 . 0 0 "[ . 1 . ]" 5
307 2 76 PHE H 2 76 PHE HA 2.830 . 3.860 2.835 2.779 2.895 . 0 0 "[ . 1 . ]" 5
308 2 76 PHE H 2 76 PHE QB 3.060 . 4.330 2.217 2.046 2.277 . 0 0 "[ . 1 . ]" 5
309 1 77 VAL H 1 77 VAL HA 2.840 . 3.880 2.756 2.722 2.796 . 0 0 "[ . 1 . ]" 5
310 1 77 VAL H 1 77 VAL HB 2.750 . 3.710 2.915 2.203 3.624 . 0 0 "[ . 1 . ]" 5
311 1 77 VAL H 1 77 VAL QG 3.190 . 4.580 2.169 1.898 2.656 . 0 0 "[ . 1 . ]" 5
312 2 77 VAL H 2 77 VAL HA 2.840 . 3.880 2.755 2.722 2.795 . 0 0 "[ . 1 . ]" 5
313 2 77 VAL H 2 77 VAL HB 2.750 . 3.710 2.916 2.203 3.624 . 0 0 "[ . 1 . ]" 5
314 2 77 VAL H 2 77 VAL QG 3.190 . 4.580 2.169 1.899 2.655 . 0 0 "[ . 1 . ]" 5
315 1 78 ALA H 1 78 ALA HA 2.850 . 3.910 2.885 2.823 2.907 . 0 0 "[ . 1 . ]" 5
316 1 78 ALA H 1 78 ALA MB 2.920 . 4.040 2.247 2.146 2.299 . 0 0 "[ . 1 . ]" 5
317 2 78 ALA H 2 78 ALA HA 2.850 . 3.910 2.885 2.824 2.906 . 0 0 "[ . 1 . ]" 5
318 2 78 ALA H 2 78 ALA MB 2.920 . 4.040 2.247 2.146 2.300 . 0 0 "[ . 1 . ]" 5
319 1 79 MET H 1 79 MET HA 2.790 . 3.790 2.853 2.814 2.896 . 0 0 "[ . 1 . ]" 5
320 1 79 MET H 1 79 MET QB 2.830 . 3.860 2.389 2.219 2.543 . 0 0 "[ . 1 . ]" 5
321 1 79 MET H 1 79 MET QG 2.900 . 4.000 2.479 2.247 2.818 . 0 0 "[ . 1 . ]" 5
322 2 79 MET H 2 79 MET HA 2.790 . 3.790 2.853 2.815 2.897 . 0 0 "[ . 1 . ]" 5
323 2 79 MET H 2 79 MET QB 2.830 . 3.860 2.388 2.216 2.543 . 0 0 "[ . 1 . ]" 5
324 2 79 MET H 2 79 MET QG 2.900 . 4.000 2.479 2.248 2.818 . 0 0 "[ . 1 . ]" 5
325 1 80 VAL H 1 80 VAL HA 2.840 . 3.880 2.788 2.701 2.838 . 0 0 "[ . 1 . ]" 5
326 1 80 VAL H 1 80 VAL HB 2.770 . 3.730 2.491 2.360 2.626 . 0 0 "[ . 1 . ]" 5
327 1 80 VAL H 1 80 VAL QG 3.420 . 5.040 2.180 1.931 2.348 . 0 0 "[ . 1 . ]" 5
328 2 80 VAL H 2 80 VAL HA 2.840 . 3.880 2.788 2.703 2.839 . 0 0 "[ . 1 . ]" 5
329 2 80 VAL H 2 80 VAL HB 2.770 . 3.730 2.491 2.361 2.627 . 0 0 "[ . 1 . ]" 5
330 2 80 VAL H 2 80 VAL QG 3.420 . 5.040 2.180 1.931 2.347 . 0 0 "[ . 1 . ]" 5
331 1 81 THR H 1 81 THR HB 2.790 . 3.780 2.499 2.103 3.615 . 0 0 "[ . 1 . ]" 5
332 2 81 THR H 2 81 THR HB 2.790 . 3.780 2.499 2.104 3.614 . 0 0 "[ . 1 . ]" 5
333 1 83 ALA H 1 83 ALA HA 2.790 . 3.790 2.873 2.825 2.888 . 0 0 "[ . 1 . ]" 5
334 1 83 ALA H 1 83 ALA MB 3.100 . 4.400 2.228 2.085 2.300 . 0 0 "[ . 1 . ]" 5
335 2 83 ALA H 2 83 ALA HA 2.790 . 3.790 2.873 2.825 2.888 . 0 0 "[ . 1 . ]" 5
336 2 83 ALA H 2 83 ALA MB 3.100 . 4.400 2.227 2.084 2.299 . 0 0 "[ . 1 . ]" 5
337 1 84 CYS H 1 84 CYS QB 3.690 . 5.580 2.522 2.135 2.868 . 0 0 "[ . 1 . ]" 5
338 2 84 CYS H 2 84 CYS QB 3.690 . 5.580 2.522 2.134 2.868 . 0 0 "[ . 1 . ]" 5
339 1 85 HIS H 1 85 HIS HA 2.890 . 3.970 2.744 2.711 2.785 . 0 0 "[ . 1 . ]" 5
340 1 85 HIS H 1 85 HIS QB 3.190 . 4.580 2.172 2.062 2.252 . 0 0 "[ . 1 . ]" 5
341 2 85 HIS H 2 85 HIS HA 2.890 . 3.970 2.744 2.712 2.785 . 0 0 "[ . 1 . ]" 5
342 2 85 HIS H 2 85 HIS QB 3.190 . 4.580 2.172 2.063 2.251 . 0 0 "[ . 1 . ]" 5
343 1 86 GLU H 1 86 GLU HA 2.880 . 3.960 2.735 2.705 2.784 . 0 0 "[ . 1 . ]" 5
344 2 86 GLU H 2 86 GLU HA 2.880 . 3.960 2.734 2.705 2.784 . 0 0 "[ . 1 . ]" 5
345 1 88 PHE H 1 88 PHE HA 2.870 . 3.930 2.851 2.282 2.923 . 0 0 "[ . 1 . ]" 5
346 1 88 PHE H 1 88 PHE QB 3.130 . 4.460 2.345 2.108 2.842 . 0 0 "[ . 1 . ]" 5
347 2 88 PHE H 2 88 PHE HA 2.870 . 3.930 2.851 2.281 2.926 . 0 0 "[ . 1 . ]" 5
348 2 88 PHE H 2 88 PHE QB 3.130 . 4.460 2.345 2.109 2.841 . 0 0 "[ . 1 . ]" 5
349 1 89 GLU H 1 89 GLU HA 2.810 . 3.810 2.472 2.272 2.947 . 0 0 "[ . 1 . ]" 5
350 1 89 GLU H 1 89 GLU QB 2.940 . 4.080 2.930 2.428 3.249 . 0 0 "[ . 1 . ]" 5
351 2 89 GLU H 2 89 GLU HA 2.810 . 3.810 2.472 2.272 2.948 . 0 0 "[ . 1 . ]" 5
352 2 89 GLU H 2 89 GLU QB 2.940 . 4.080 2.930 2.428 3.251 . 0 0 "[ . 1 . ]" 5
353 1 90 HIS H 1 90 HIS HD2 3.900 . 6.000 5.026 2.109 5.796 . 0 0 "[ . 1 . ]" 5
354 2 90 HIS H 2 90 HIS HD2 3.900 . 6.000 5.026 2.108 5.794 . 0 0 "[ . 1 . ]" 5
355 1 91 GLU H 1 91 GLU HA 2.810 . 3.830 2.814 2.274 2.947 . 0 0 "[ . 1 . ]" 5
356 1 91 GLU H 1 91 GLU QB 2.810 . 3.810 2.510 2.075 3.184 . 0 0 "[ . 1 . ]" 5
357 1 91 GLU H 1 91 GLU QG 3.080 . 4.360 3.260 2.029 3.882 . 0 0 "[ . 1 . ]" 5
358 2 91 GLU H 2 91 GLU HA 2.810 . 3.830 2.814 2.274 2.946 . 0 0 "[ . 1 . ]" 5
359 2 91 GLU H 2 91 GLU QB 2.810 . 3.810 2.510 2.074 3.183 . 0 0 "[ . 1 . ]" 5
360 2 91 GLU H 2 91 GLU QG 3.080 . 4.360 3.260 2.028 3.882 . 0 0 "[ . 1 . ]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 6
_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
3 4 LYS 0.000 0.000 . 0 "[ . 1 . ]"
3 5 ILE 0.000 0.000 . 0 "[ . 1 . ]"
3 11 LEU 0.000 0.000 . 0 "[ . 1 . ]"
4 4 LYS 0.000 0.000 . 0 "[ . 1 . ]"
4 5 ILE 0.000 0.000 . 0 "[ . 1 . ]"
4 11 LEU 0.000 0.000 . 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 3 4 LYS QE 3 11 LEU H 3.850 . 6.000 5.263 4.819 5.389 . 0 0 "[ . 1 . ]" 6
2 4 4 LYS QE 4 11 LEU H 3.850 . 6.000 5.263 4.818 5.390 . 0 0 "[ . 1 . ]" 6
3 3 5 ILE MG 3 11 LEU QB 3.850 . 6.000 4.076 3.432 4.507 . 0 0 "[ . 1 . ]" 6
4 3 5 ILE MG 3 11 LEU HG 3.850 . 6.000 4.356 3.332 5.052 . 0 0 "[ . 1 . ]" 6
5 4 5 ILE MG 4 11 LEU QB 3.850 . 6.000 4.076 3.432 4.507 . 0 0 "[ . 1 . ]" 6
6 4 5 ILE MG 4 11 LEU HG 3.850 . 6.000 4.356 3.332 5.052 . 0 0 "[ . 1 . ]" 6
stop_
save_
save_distance_constraint_statistics_7
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 7
_Distance_constraint_stats_list.Constraint_count 132
_Distance_constraint_stats_list.Viol_count 4
_Distance_constraint_stats_list.Viol_total 1.235
_Distance_constraint_stats_list.Viol_max 0.033
_Distance_constraint_stats_list.Viol_rms 0.0010
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0182
_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 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 5 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 8 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 10 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 11 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 14 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 16 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 17 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 20 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 24 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 36 ILE 0.036 0.032 1 0 "[ . 1 . ]"
1 40 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 50 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 56 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 57 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 59 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 70 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 76 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 79 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 80 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 82 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 85 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 89 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 90 HIS 0.000 0.000 . 0 "[ . 1 . ]"
2 3 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 5 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 8 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 10 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 11 ILE 0.000 0.000 . 0 "[ . 1 . ]"
2 13 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 14 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 16 GLN 0.000 0.000 . 0 "[ . 1 . ]"
2 17 TYR 0.000 0.000 . 0 "[ . 1 . ]"
2 20 ARG 0.000 0.000 . 0 "[ . 1 . ]"
2 24 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 26 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 32 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 33 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 34 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 35 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 36 ILE 0.037 0.033 1 0 "[ . 1 . ]"
2 40 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 47 ILE 0.000 0.000 . 0 "[ . 1 . ]"
2 48 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 50 GLN 0.000 0.000 . 0 "[ . 1 . ]"
2 52 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 53 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 55 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 56 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 57 MET 0.000 0.000 . 0 "[ . 1 . ]"
2 58 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 59 THR 0.000 0.000 . 0 "[ . 1 . ]"
2 60 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 70 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 71 GLN 0.000 0.000 . 0 "[ . 1 . ]"
2 72 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 75 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 76 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 77 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 79 MET 0.000 0.000 . 0 "[ . 1 . ]"
2 80 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 82 THR 0.000 0.000 . 0 "[ . 1 . ]"
2 85 HIS 0.000 0.000 . 0 "[ . 1 . ]"
2 89 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 90 HIS 0.000 0.000 . 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 LEU HA 1 3 LEU QD 3.850 . 6.000 2.687 1.846 3.296 . 0 0 "[ . 1 . ]" 7
2 2 3 LEU HA 2 3 LEU QD 3.850 . 6.000 2.687 1.847 3.297 . 0 0 "[ . 1 . ]" 7
3 1 5 LYS HA 1 5 LYS QD 3.080 . 4.460 3.821 3.237 4.023 . 0 0 "[ . 1 . ]" 7
4 1 5 LYS HA 1 5 LYS QG 3.460 . 5.210 2.743 2.051 3.390 . 0 0 "[ . 1 . ]" 7
5 2 5 LYS HA 2 5 LYS QD 3.080 . 4.460 3.821 3.238 4.023 . 0 0 "[ . 1 . ]" 7
6 2 5 LYS HA 2 5 LYS QG 3.460 . 5.210 2.743 2.051 3.389 . 0 0 "[ . 1 . ]" 7
7 1 8 VAL HA 1 8 VAL HB 2.790 . 3.880 3.019 3.014 3.024 . 0 0 "[ . 1 . ]" 7
8 1 8 VAL HA 1 8 VAL QG 2.870 . 4.040 2.104 2.044 2.167 . 0 0 "[ . 1 . ]" 7
9 2 8 VAL HA 2 8 VAL HB 2.790 . 3.880 3.020 3.015 3.025 . 0 0 "[ . 1 . ]" 7
10 2 8 VAL HA 2 8 VAL QG 2.870 . 4.040 2.104 2.044 2.166 . 0 0 "[ . 1 . ]" 7
11 1 10 LEU QB 1 10 LEU QD 2.480 . 3.250 1.823 1.715 2.000 . 0 0 "[ . 1 . ]" 7
12 2 10 LEU QB 2 10 LEU QD 2.480 . 3.250 1.823 1.715 2.000 . 0 0 "[ . 1 . ]" 7
13 1 11 ILE HA 1 11 ILE MG 3.100 . 4.500 2.197 1.907 3.185 . 0 0 "[ . 1 . ]" 7
14 2 11 ILE HA 2 11 ILE MG 3.100 . 4.500 2.197 1.907 3.185 . 0 0 "[ . 1 . ]" 7
15 1 13 VAL HA 1 13 VAL QG 2.910 . 4.120 2.099 2.031 2.168 . 0 0 "[ . 1 . ]" 7
16 1 13 VAL HA 1 13 VAL HB 2.740 . 3.780 3.017 3.001 3.024 . 0 0 "[ . 1 . ]" 7
17 2 13 VAL HA 2 13 VAL QG 2.910 . 4.120 2.099 2.031 2.168 . 0 0 "[ . 1 . ]" 7
18 2 13 VAL HA 2 13 VAL HB 2.740 . 3.780 3.017 3.001 3.024 . 0 0 "[ . 1 . ]" 7
19 1 14 PHE HA 1 14 PHE QD 3.460 . 5.210 3.491 2.187 3.603 . 0 0 "[ . 1 . ]" 7
20 1 14 PHE HA 1 14 PHE QE 3.850 . 6.000 5.302 4.208 5.419 . 0 0 "[ . 1 . ]" 7
21 1 14 PHE QB 1 14 PHE QD 2.230 . 2.760 2.146 2.131 2.227 . 0 0 "[ . 1 . ]" 7
22 2 14 PHE HA 2 14 PHE QD 3.460 . 5.210 3.491 2.188 3.603 . 0 0 "[ . 1 . ]" 7
23 2 14 PHE HA 2 14 PHE QE 3.850 . 6.000 5.302 4.210 5.420 . 0 0 "[ . 1 . ]" 7
24 2 14 PHE QB 2 14 PHE QD 2.230 . 2.760 2.146 2.130 2.227 . 0 0 "[ . 1 . ]" 7
25 1 16 GLN HA 1 16 GLN QG 2.710 . 3.730 2.398 2.027 3.343 . 0 0 "[ . 1 . ]" 7
26 2 16 GLN HA 2 16 GLN QG 2.710 . 3.730 2.398 2.028 3.344 . 0 0 "[ . 1 . ]" 7
27 1 17 TYR HA 1 17 TYR QD 3.020 . 4.340 2.854 2.464 3.029 . 0 0 "[ . 1 . ]" 7
28 2 17 TYR HA 2 17 TYR QD 3.020 . 4.340 2.854 2.464 3.030 . 0 0 "[ . 1 . ]" 7
29 1 20 ARG HA 1 20 ARG QD 3.850 . 6.000 3.595 1.932 4.577 . 0 0 "[ . 1 . ]" 7
30 2 20 ARG HA 2 20 ARG QD 3.850 . 6.000 3.596 1.931 4.578 . 0 0 "[ . 1 . ]" 7
31 1 24 LYS HA 1 24 LYS QE 3.850 . 6.000 4.529 3.978 5.224 . 0 0 "[ . 1 . ]" 7
32 1 24 LYS HA 1 24 LYS QG 3.000 . 4.300 2.349 1.971 2.622 . 0 0 "[ . 1 . ]" 7
33 2 24 LYS HA 2 24 LYS QE 3.850 . 6.000 4.529 3.977 5.224 . 0 0 "[ . 1 . ]" 7
34 2 24 LYS HA 2 24 LYS QG 3.000 . 4.300 2.349 1.971 2.623 . 0 0 "[ . 1 . ]" 7
35 1 26 LYS HA 1 26 LYS QG 3.060 . 4.420 2.164 2.049 2.346 . 0 0 "[ . 1 . ]" 7
36 2 26 LYS HA 2 26 LYS QG 3.060 . 4.420 2.164 2.048 2.345 . 0 0 "[ . 1 . ]" 7
37 1 32 LEU HA 1 32 LEU HG 3.090 . 4.480 3.394 2.306 3.722 . 0 0 "[ . 1 . ]" 7
38 2 32 LEU HA 2 32 LEU HG 3.090 . 4.480 3.394 2.306 3.723 . 0 0 "[ . 1 . ]" 7
39 1 33 LYS HA 1 33 LYS QD 3.290 . 4.880 3.324 1.923 4.211 . 0 0 "[ . 1 . ]" 7
40 1 33 LYS HA 1 33 LYS QG 3.120 . 4.540 2.439 2.115 2.789 . 0 0 "[ . 1 . ]" 7
41 1 33 LYS QB 1 33 LYS QD 2.790 . 3.880 2.289 2.061 2.618 . 0 0 "[ . 1 . ]" 7
42 2 33 LYS HA 2 33 LYS QD 3.290 . 4.880 3.324 1.924 4.211 . 0 0 "[ . 1 . ]" 7
43 2 33 LYS HA 2 33 LYS QG 3.120 . 4.540 2.439 2.116 2.789 . 0 0 "[ . 1 . ]" 7
44 2 33 LYS QB 2 33 LYS QD 2.790 . 3.880 2.289 2.061 2.617 . 0 0 "[ . 1 . ]" 7
45 1 34 GLU HA 1 34 GLU QG 3.130 . 4.560 2.505 2.175 3.418 . 0 0 "[ . 1 . ]" 7
46 2 34 GLU HA 2 34 GLU QG 3.130 . 4.560 2.505 2.175 3.418 . 0 0 "[ . 1 . ]" 7
47 1 35 LEU HA 1 35 LEU QD 3.570 . 5.440 1.940 1.765 2.473 . 0 0 "[ . 1 . ]" 7
48 2 35 LEU HA 2 35 LEU QD 3.570 . 5.440 1.940 1.766 2.473 . 0 0 "[ . 1 . ]" 7
49 1 36 ILE HA 1 36 ILE MG 3.370 . 5.040 2.548 2.364 2.825 . 0 0 "[ . 1 . ]" 7
50 1 36 ILE HA 1 36 ILE MD 3.050 . 4.400 3.478 3.364 3.667 . 0 0 "[ . 1 . ]" 7
51 1 36 ILE HB 1 36 ILE MD 2.510 . 3.320 2.738 2.477 2.803 . 0 0 "[ . 1 . ]" 7
52 1 36 ILE MD 1 36 ILE MG 2.770 . 3.850 1.766 1.668 1.831 0.032 1 0 "[ . 1 . ]" 7
53 1 36 ILE HA 1 36 ILE QG 2.670 . 3.630 2.207 1.990 2.355 . 0 0 "[ . 1 . ]" 7
54 1 36 ILE QG 1 36 ILE MG 2.790 . 3.890 2.552 2.461 2.590 . 0 0 "[ . 1 . ]" 7
55 2 36 ILE HA 2 36 ILE MG 3.370 . 5.040 2.548 2.365 2.826 . 0 0 "[ . 1 . ]" 7
56 2 36 ILE HA 2 36 ILE MD 3.050 . 4.400 3.479 3.363 3.668 . 0 0 "[ . 1 . ]" 7
57 2 36 ILE HB 2 36 ILE MD 2.510 . 3.320 2.739 2.478 2.804 . 0 0 "[ . 1 . ]" 7
58 2 36 ILE MD 2 36 ILE MG 2.770 . 3.850 1.766 1.667 1.832 0.033 1 0 "[ . 1 . ]" 7
59 2 36 ILE HA 2 36 ILE QG 2.670 . 3.630 2.207 1.990 2.354 . 0 0 "[ . 1 . ]" 7
60 2 36 ILE QG 2 36 ILE MG 2.790 . 3.890 2.552 2.462 2.589 . 0 0 "[ . 1 . ]" 7
61 1 40 LEU HA 1 40 LEU QD 2.980 . 4.250 2.306 1.747 3.227 . 0 0 "[ . 1 . ]" 7
62 1 40 LEU HA 1 40 LEU HG 2.880 . 4.050 3.010 2.368 3.701 . 0 0 "[ . 1 . ]" 7
63 1 40 LEU QB 1 40 LEU QD 2.620 . 3.540 1.891 1.739 1.980 . 0 0 "[ . 1 . ]" 7
64 2 40 LEU HA 2 40 LEU QD 2.980 . 4.250 2.307 1.747 3.227 . 0 0 "[ . 1 . ]" 7
65 2 40 LEU HA 2 40 LEU HG 2.880 . 4.050 3.009 2.367 3.701 . 0 0 "[ . 1 . ]" 7
66 2 40 LEU QB 2 40 LEU QD 2.620 . 3.540 1.891 1.739 1.981 . 0 0 "[ . 1 . ]" 7
67 1 47 ILE HA 1 47 ILE HB 2.790 . 3.880 2.672 2.339 2.995 . 0 0 "[ . 1 . ]" 7
68 1 47 ILE HA 1 47 ILE MG 2.790 . 3.880 2.524 2.073 3.213 . 0 0 "[ . 1 . ]" 7
69 2 47 ILE HA 2 47 ILE HB 2.790 . 3.880 2.672 2.339 2.994 . 0 0 "[ . 1 . ]" 7
70 2 47 ILE HA 2 47 ILE MG 2.790 . 3.880 2.524 2.073 3.213 . 0 0 "[ . 1 . ]" 7
71 1 48 LYS HA 1 48 LYS QG 2.950 . 4.200 2.870 2.459 3.458 . 0 0 "[ . 1 . ]" 7
72 2 48 LYS HA 2 48 LYS QG 2.950 . 4.200 2.870 2.458 3.459 . 0 0 "[ . 1 . ]" 7
73 1 50 GLN HA 1 50 GLN QG 2.710 . 3.710 2.512 2.011 3.344 . 0 0 "[ . 1 . ]" 7
74 2 50 GLN HA 2 50 GLN QG 2.710 . 3.710 2.512 2.012 3.343 . 0 0 "[ . 1 . ]" 7
75 1 52 VAL HA 1 52 VAL HB 2.730 . 3.760 2.431 2.322 2.536 . 0 0 "[ . 1 . ]" 7
76 1 52 VAL HA 1 52 VAL QG 3.000 . 4.300 2.282 2.117 2.405 . 0 0 "[ . 1 . ]" 7
77 2 52 VAL HA 2 52 VAL HB 2.730 . 3.760 2.431 2.323 2.536 . 0 0 "[ . 1 . ]" 7
78 2 52 VAL HA 2 52 VAL QG 3.000 . 4.300 2.282 2.118 2.405 . 0 0 "[ . 1 . ]" 7
79 1 53 VAL HA 1 53 VAL HB 2.750 . 3.810 2.980 2.890 3.015 . 0 0 "[ . 1 . ]" 7
80 2 53 VAL HA 2 53 VAL HB 2.750 . 3.810 2.980 2.890 3.015 . 0 0 "[ . 1 . ]" 7
81 1 55 LYS HA 1 55 LYS QD 3.210 . 4.710 4.053 3.956 4.130 . 0 0 "[ . 1 . ]" 7
82 1 55 LYS HA 1 55 LYS QG 2.960 . 4.210 2.257 2.177 2.324 . 0 0 "[ . 1 . ]" 7
83 2 55 LYS HA 2 55 LYS QD 3.210 . 4.710 4.053 3.955 4.131 . 0 0 "[ . 1 . ]" 7
84 2 55 LYS HA 2 55 LYS QG 2.960 . 4.210 2.257 2.175 2.326 . 0 0 "[ . 1 . ]" 7
85 1 56 VAL HA 1 56 VAL QG 2.860 . 4.020 2.106 2.045 2.335 . 0 0 "[ . 1 . ]" 7
86 2 56 VAL HA 2 56 VAL QG 2.860 . 4.020 2.106 2.045 2.334 . 0 0 "[ . 1 . ]" 7
87 1 57 MET HA 1 57 MET QG 2.890 . 4.080 3.161 2.113 3.463 . 0 0 "[ . 1 . ]" 7
88 1 57 MET HA 1 57 MET ME 3.850 . 6.000 3.859 2.975 4.559 . 0 0 "[ . 1 . ]" 7
89 1 57 MET QB 1 57 MET ME 2.980 . 4.260 2.004 1.872 2.823 . 0 0 "[ . 1 . ]" 7
90 1 57 MET ME 1 57 MET QG 3.160 . 4.620 2.443 2.139 2.619 . 0 0 "[ . 1 . ]" 7
91 2 57 MET HA 2 57 MET QG 2.890 . 4.080 3.160 2.113 3.462 . 0 0 "[ . 1 . ]" 7
92 2 57 MET HA 2 57 MET ME 3.850 . 6.000 3.858 2.974 4.559 . 0 0 "[ . 1 . ]" 7
93 2 57 MET QB 2 57 MET ME 2.980 . 4.260 2.004 1.873 2.824 . 0 0 "[ . 1 . ]" 7
94 2 57 MET ME 2 57 MET QG 3.160 . 4.620 2.443 2.138 2.617 . 0 0 "[ . 1 . ]" 7
95 1 58 GLU HA 1 58 GLU QG 2.860 . 4.020 2.216 2.024 2.552 . 0 0 "[ . 1 . ]" 7
96 2 58 GLU HA 2 58 GLU QG 2.860 . 4.020 2.216 2.026 2.552 . 0 0 "[ . 1 . ]" 7
97 1 59 THR HA 1 59 THR HB 2.850 . 4.000 3.010 2.955 3.028 . 0 0 "[ . 1 . ]" 7
98 2 59 THR HA 2 59 THR HB 2.850 . 4.000 3.010 2.956 3.027 . 0 0 "[ . 1 . ]" 7
99 1 60 LEU HA 1 60 LEU QD 3.100 . 4.500 2.618 2.023 2.977 . 0 0 "[ . 1 . ]" 7
100 1 60 LEU HA 1 60 LEU HG 2.960 . 4.210 2.708 2.108 3.616 . 0 0 "[ . 1 . ]" 7
101 2 60 LEU HA 2 60 LEU QD 3.100 . 4.500 2.618 2.023 2.978 . 0 0 "[ . 1 . ]" 7
102 2 60 LEU HA 2 60 LEU HG 2.960 . 4.210 2.708 2.106 3.614 . 0 0 "[ . 1 . ]" 7
103 1 70 PHE HA 1 70 PHE QD 3.700 . 5.700 2.788 2.110 3.362 . 0 0 "[ . 1 . ]" 7
104 2 70 PHE HA 2 70 PHE QD 3.700 . 5.700 2.788 2.108 3.362 . 0 0 "[ . 1 . ]" 7
105 1 71 GLN HA 1 71 GLN QG 3.290 . 4.880 3.276 2.609 3.362 . 0 0 "[ . 1 . ]" 7
106 2 71 GLN HA 2 71 GLN QG 3.290 . 4.880 3.276 2.608 3.362 . 0 0 "[ . 1 . ]" 7
107 1 72 GLU HA 1 72 GLU QG 3.210 . 4.710 3.022 2.552 3.469 . 0 0 "[ . 1 . ]" 7
108 2 72 GLU HA 2 72 GLU QG 3.210 . 4.710 3.022 2.553 3.470 . 0 0 "[ . 1 . ]" 7
109 1 75 ALA HA 1 75 ALA MB 2.490 . 3.280 2.114 2.093 2.135 . 0 0 "[ . 1 . ]" 7
110 2 75 ALA HA 2 75 ALA MB 2.490 . 3.280 2.115 2.094 2.135 . 0 0 "[ . 1 . ]" 7
111 1 76 PHE HA 1 76 PHE QD 2.820 . 3.940 2.554 2.163 3.146 . 0 0 "[ . 1 . ]" 7
112 1 76 PHE QB 1 76 PHE QD 2.160 . 2.620 2.122 2.114 2.139 . 0 0 "[ . 1 . ]" 7
113 2 76 PHE HA 2 76 PHE QD 2.820 . 3.940 2.554 2.163 3.146 . 0 0 "[ . 1 . ]" 7
114 2 76 PHE QB 2 76 PHE QD 2.160 . 2.620 2.122 2.114 2.138 . 0 0 "[ . 1 . ]" 7
115 1 77 VAL HA 1 77 VAL HB 2.750 . 3.800 2.691 2.549 3.020 . 0 0 "[ . 1 . ]" 7
116 1 77 VAL HA 1 77 VAL QG 2.940 . 4.180 2.114 2.028 2.225 . 0 0 "[ . 1 . ]" 7
117 2 77 VAL HA 2 77 VAL HB 2.750 . 3.800 2.691 2.549 3.021 . 0 0 "[ . 1 . ]" 7
118 2 77 VAL HA 2 77 VAL QG 2.940 . 4.180 2.114 2.029 2.226 . 0 0 "[ . 1 . ]" 7
119 1 79 MET HA 1 79 MET QG 3.250 . 4.800 2.741 2.153 3.445 . 0 0 "[ . 1 . ]" 7
120 2 79 MET HA 2 79 MET QG 3.250 . 4.800 2.741 2.153 3.445 . 0 0 "[ . 1 . ]" 7
121 1 80 VAL HA 1 80 VAL HB 2.770 . 3.850 3.019 3.000 3.023 . 0 0 "[ . 1 . ]" 7
122 1 80 VAL HA 1 80 VAL QG 2.730 . 3.770 2.081 2.043 2.145 . 0 0 "[ . 1 . ]" 7
123 2 80 VAL HA 2 80 VAL HB 2.770 . 3.850 3.019 3.001 3.024 . 0 0 "[ . 1 . ]" 7
124 2 80 VAL HA 2 80 VAL QG 2.730 . 3.770 2.081 2.043 2.145 . 0 0 "[ . 1 . ]" 7
125 1 82 THR HA 1 82 THR MG 2.520 . 3.350 2.369 2.082 2.516 . 0 0 "[ . 1 . ]" 7
126 2 82 THR HA 2 82 THR MG 2.520 . 3.350 2.369 2.082 2.516 . 0 0 "[ . 1 . ]" 7
127 1 85 HIS QB 1 85 HIS HD2 3.350 . 5.000 2.907 2.625 3.299 . 0 0 "[ . 1 . ]" 7
128 2 85 HIS QB 2 85 HIS HD2 3.350 . 5.000 2.907 2.626 3.299 . 0 0 "[ . 1 . ]" 7
129 1 89 GLU HA 1 89 GLU QG 3.570 . 5.440 2.528 2.029 3.368 . 0 0 "[ . 1 . ]" 7
130 2 89 GLU HA 2 89 GLU QG 3.570 . 5.440 2.528 2.030 3.368 . 0 0 "[ . 1 . ]" 7
131 1 90 HIS QB 1 90 HIS HD2 2.910 . 4.120 2.883 2.628 3.262 . 0 0 "[ . 1 . ]" 7
132 2 90 HIS QB 2 90 HIS HD2 2.910 . 4.120 2.884 2.629 3.262 . 0 0 "[ . 1 . ]" 7
stop_
save_
save_distance_constraint_statistics_8
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 8
_Distance_constraint_stats_list.Constraint_count 122
_Distance_constraint_stats_list.Viol_count 63
_Distance_constraint_stats_list.Viol_total 56.795
_Distance_constraint_stats_list.Viol_max 0.231
_Distance_constraint_stats_list.Viol_rms 0.0136
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0530
_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 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 5 LYS 0.002 0.002 17 0 "[ . 1 . ]"
1 6 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 8 VAL 0.175 0.105 4 0 "[ . 1 . ]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 11 ILE 0.173 0.105 4 0 "[ . 1 . ]"
1 12 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 15 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 16 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 17 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 19 GLY 0.027 0.027 17 0 "[ . 1 . ]"
1 20 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 24 LYS 0.027 0.027 17 0 "[ . 1 . ]"
1 25 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 31 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 36 ILE 0.007 0.007 17 0 "[ . 1 . ]"
1 37 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 38 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 40 LEU 0.007 0.007 17 0 "[ . 1 . ]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 50 GLN 0.010 0.010 12 0 "[ . 1 . ]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 53 VAL 1.078 0.231 13 0 "[ . 1 . ]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 56 VAL 1.072 0.231 13 0 "[ . 1 . ]"
1 57 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 59 THR 0.003 0.003 8 0 "[ . 1 . ]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 68 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 70 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 73 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 74 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 76 PHE 0.381 0.052 2 0 "[ . 1 . ]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 79 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 80 VAL 0.381 0.052 2 0 "[ . 1 . ]"
1 81 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 84 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 86 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 3 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 5 LYS 0.002 0.002 17 0 "[ . 1 . ]"
2 6 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 8 VAL 0.171 0.104 4 0 "[ . 1 . ]"
2 9 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 11 ILE 0.169 0.104 4 0 "[ . 1 . ]"
2 12 ASP 0.000 0.000 . 0 "[ . 1 . ]"
2 13 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 15 HIS 0.000 0.000 . 0 "[ . 1 . ]"
2 16 GLN 0.000 0.000 . 0 "[ . 1 . ]"
2 17 TYR 0.000 0.000 . 0 "[ . 1 . ]"
2 19 GLY 0.027 0.027 17 0 "[ . 1 . ]"
2 20 ARG 0.000 0.000 . 0 "[ . 1 . ]"
2 24 LYS 0.027 0.027 17 0 "[ . 1 . ]"
2 25 HIS 0.000 0.000 . 0 "[ . 1 . ]"
2 27 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 31 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 32 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 33 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 34 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 35 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 36 ILE 0.007 0.007 17 0 "[ . 1 . ]"
2 37 ASN 0.000 0.000 . 0 "[ . 1 . ]"
2 38 ASN 0.000 0.000 . 0 "[ . 1 . ]"
2 40 LEU 0.007 0.007 17 0 "[ . 1 . ]"
2 47 ILE 0.000 0.000 . 0 "[ . 1 . ]"
2 49 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 50 GLN 0.009 0.009 12 0 "[ . 1 . ]"
2 51 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 52 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 53 VAL 1.077 0.231 13 0 "[ . 1 . ]"
2 54 ASP 0.000 0.000 . 0 "[ . 1 . ]"
2 55 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 56 VAL 1.071 0.231 13 0 "[ . 1 . ]"
2 57 MET 0.000 0.000 . 0 "[ . 1 . ]"
2 58 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 59 THR 0.003 0.003 8 0 "[ . 1 . ]"
2 60 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 68 CYS 0.000 0.000 . 0 "[ . 1 . ]"
2 70 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 71 GLN 0.000 0.000 . 0 "[ . 1 . ]"
2 72 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 73 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 74 MET 0.000 0.000 . 0 "[ . 1 . ]"
2 75 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 76 PHE 0.383 0.052 2 0 "[ . 1 . ]"
2 77 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 78 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 79 MET 0.000 0.000 . 0 "[ . 1 . ]"
2 80 VAL 0.383 0.052 2 0 "[ . 1 . ]"
2 81 THR 0.000 0.000 . 0 "[ . 1 . ]"
2 83 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 84 CYS 0.000 0.000 . 0 "[ . 1 . ]"
2 86 GLU 0.000 0.000 . 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 LYS HA 1 8 VAL HB 2.750 . 3.790 3.465 3.127 3.792 0.002 17 0 "[ . 1 . ]" 8
2 1 5 LYS HA 1 8 VAL QG 3.850 . 6.000 3.740 3.468 4.130 . 0 0 "[ . 1 . ]" 8
3 2 5 LYS HA 2 8 VAL HB 2.750 . 3.790 3.465 3.128 3.792 0.002 17 0 "[ . 1 . ]" 8
4 2 5 LYS HA 2 8 VAL QG 3.850 . 6.000 3.740 3.469 4.131 . 0 0 "[ . 1 . ]" 8
5 1 3 LEU HA 1 6 ALA MB 3.240 . 4.780 2.961 2.550 3.413 . 0 0 "[ . 1 . ]" 8
6 2 3 LEU HA 2 6 ALA MB 3.240 . 4.780 2.961 2.550 3.413 . 0 0 "[ . 1 . ]" 8
7 1 8 VAL HA 1 11 ILE MG 3.170 . 4.630 3.645 1.694 4.063 0.006 4 0 "[ . 1 . ]" 8
8 2 8 VAL HA 2 11 ILE MG 3.170 . 4.630 3.646 1.694 4.063 0.006 4 0 "[ . 1 . ]" 8
9 1 9 ALA HA 1 12 ASP QB 3.480 . 5.250 2.606 2.306 2.968 . 0 0 "[ . 1 . ]" 8
10 2 9 ALA HA 2 12 ASP QB 3.480 . 5.250 2.605 2.305 2.966 . 0 0 "[ . 1 . ]" 8
11 1 8 VAL HA 1 11 ILE HB 2.620 . 3.540 2.824 2.379 3.645 0.105 4 0 "[ . 1 . ]" 8
12 1 8 VAL HA 1 11 ILE MD 3.800 . 5.900 2.666 1.869 4.860 . 0 0 "[ . 1 . ]" 8
13 2 8 VAL HA 2 11 ILE HB 2.620 . 3.540 2.824 2.381 3.644 0.104 4 0 "[ . 1 . ]" 8
14 2 8 VAL HA 2 11 ILE MD 3.800 . 5.900 2.666 1.878 4.860 . 0 0 "[ . 1 . ]" 8
15 1 12 ASP HA 1 15 HIS QB 3.030 . 4.360 2.347 2.012 2.824 . 0 0 "[ . 1 . ]" 8
16 2 12 ASP HA 2 15 HIS QB 3.030 . 4.360 2.347 2.012 2.825 . 0 0 "[ . 1 . ]" 8
17 1 13 VAL HA 1 16 GLN QB 3.100 . 4.500 3.011 2.601 4.032 . 0 0 "[ . 1 . ]" 8
18 2 13 VAL HA 2 16 GLN QB 3.100 . 4.500 3.011 2.600 4.031 . 0 0 "[ . 1 . ]" 8
19 1 19 GLY QA 1 24 LYS HA 2.730 . 3.760 2.558 1.946 3.469 . 0 0 "[ . 1 . ]" 8
20 1 19 GLY QA 1 24 LYS QB 2.210 . 2.720 2.087 1.673 2.169 0.027 17 0 "[ . 1 . ]" 8
21 1 19 GLY QA 1 24 LYS QG 2.350 . 3.000 2.035 1.833 2.429 . 0 0 "[ . 1 . ]" 8
22 2 19 GLY QA 2 24 LYS HA 2.730 . 3.760 2.559 1.948 3.468 . 0 0 "[ . 1 . ]" 8
23 2 19 GLY QA 2 24 LYS QB 2.210 . 2.720 2.086 1.673 2.168 0.027 17 0 "[ . 1 . ]" 8
24 2 19 GLY QA 2 24 LYS QG 2.350 . 3.000 2.035 1.833 2.429 . 0 0 "[ . 1 . ]" 8
25 1 17 TYR HA 1 20 ARG QD 3.380 . 5.050 3.670 1.978 4.505 . 0 0 "[ . 1 . ]" 8
26 2 17 TYR HA 2 20 ARG QD 3.380 . 5.050 3.670 1.977 4.505 . 0 0 "[ . 1 . ]" 8
27 1 25 HIS HD2 1 27 LEU QD 3.850 . 6.000 4.509 4.487 4.531 . 0 0 "[ . 1 . ]" 8
28 1 27 LEU QD 1 32 LEU HA 3.540 . 5.380 3.279 2.311 3.984 . 0 0 "[ . 1 . ]" 8
29 1 27 LEU QD 1 32 LEU QB 3.700 . 5.700 3.559 2.850 3.794 . 0 0 "[ . 1 . ]" 8
30 2 25 HIS HD2 2 27 LEU QD 3.850 . 6.000 4.509 4.488 4.531 . 0 0 "[ . 1 . ]" 8
31 2 27 LEU QD 2 32 LEU HA 3.540 . 5.380 3.279 2.310 3.985 . 0 0 "[ . 1 . ]" 8
32 2 27 LEU QD 2 32 LEU QB 3.700 . 5.700 3.558 2.850 3.794 . 0 0 "[ . 1 . ]" 8
33 1 31 GLU HA 1 34 GLU QB 3.220 . 4.740 2.785 2.267 4.198 . 0 0 "[ . 1 . ]" 8
34 1 31 GLU HA 1 34 GLU QG 3.160 . 4.620 3.490 2.774 4.127 . 0 0 "[ . 1 . ]" 8
35 2 31 GLU HA 2 34 GLU QB 3.220 . 4.740 2.784 2.266 4.198 . 0 0 "[ . 1 . ]" 8
36 2 31 GLU HA 2 34 GLU QG 3.160 . 4.620 3.490 2.775 4.126 . 0 0 "[ . 1 . ]" 8
37 1 32 LEU HA 1 35 LEU QB 3.060 . 4.420 3.321 2.658 3.879 . 0 0 "[ . 1 . ]" 8
38 1 32 LEU HA 1 35 LEU QD 3.120 . 4.540 2.599 1.918 3.382 . 0 0 "[ . 1 . ]" 8
39 2 32 LEU HA 2 35 LEU QB 3.060 . 4.420 3.321 2.659 3.879 . 0 0 "[ . 1 . ]" 8
40 2 32 LEU HA 2 35 LEU QD 3.120 . 4.540 2.599 1.918 3.381 . 0 0 "[ . 1 . ]" 8
41 1 34 GLU HA 1 37 ASN QB 3.600 . 5.500 3.563 2.749 4.476 . 0 0 "[ . 1 . ]" 8
42 2 34 GLU HA 2 37 ASN QB 3.600 . 5.500 3.563 2.750 4.476 . 0 0 "[ . 1 . ]" 8
43 1 35 LEU QD 1 38 ASN QB 2.710 . 3.730 2.495 2.476 2.510 . 0 0 "[ . 1 . ]" 8
44 2 35 LEU QD 2 38 ASN QB 2.710 . 3.730 2.495 2.475 2.510 . 0 0 "[ . 1 . ]" 8
45 1 36 ILE HA 1 40 LEU QD 3.520 . 5.340 1.920 1.707 3.155 . 0 0 "[ . 1 . ]" 8
46 1 33 LYS HA 1 36 ILE HB 2.900 . 4.090 2.898 2.163 3.467 . 0 0 "[ . 1 . ]" 8
47 1 33 LYS HA 1 36 ILE MD 3.300 . 4.900 3.281 2.747 3.976 . 0 0 "[ . 1 . ]" 8
48 1 36 ILE MD 1 40 LEU QD 2.930 . 4.160 2.578 2.511 2.593 . 0 0 "[ . 1 . ]" 8
49 1 32 LEU QD 1 36 ILE QG 2.960 . 4.210 2.410 1.997 2.789 . 0 0 "[ . 1 . ]" 8
50 1 33 LYS HA 1 36 ILE MG 3.850 . 6.000 4.056 3.398 4.724 . 0 0 "[ . 1 . ]" 8
51 1 36 ILE MG 1 40 LEU QD 2.850 . 4.000 1.851 1.693 2.377 0.007 17 0 "[ . 1 . ]" 8
52 2 36 ILE HA 2 40 LEU QD 3.520 . 5.340 1.920 1.708 3.155 . 0 0 "[ . 1 . ]" 8
53 2 33 LYS HA 2 36 ILE HB 2.900 . 4.090 2.898 2.163 3.467 . 0 0 "[ . 1 . ]" 8
54 2 33 LYS HA 2 36 ILE MD 3.300 . 4.900 3.281 2.746 3.976 . 0 0 "[ . 1 . ]" 8
55 2 36 ILE MD 2 40 LEU QD 2.930 . 4.160 2.578 2.511 2.592 . 0 0 "[ . 1 . ]" 8
56 2 32 LEU QD 2 36 ILE QG 2.960 . 4.210 2.410 1.998 2.790 . 0 0 "[ . 1 . ]" 8
57 2 33 LYS HA 2 36 ILE MG 3.850 . 6.000 4.056 3.398 4.724 . 0 0 "[ . 1 . ]" 8
58 2 36 ILE MG 2 40 LEU QD 2.850 . 4.000 1.851 1.693 2.377 0.007 17 0 "[ . 1 . ]" 8
59 1 36 ILE HA 1 40 LEU QB 3.000 . 4.300 3.031 1.826 3.672 . 0 0 "[ . 1 . ]" 8
60 1 36 ILE MG 1 40 LEU QB 3.820 . 5.940 2.549 1.892 3.236 . 0 0 "[ . 1 . ]" 8
61 2 36 ILE HA 2 40 LEU QB 3.000 . 4.300 3.031 1.827 3.671 . 0 0 "[ . 1 . ]" 8
62 2 36 ILE MG 2 40 LEU QB 3.820 . 5.940 2.549 1.892 3.237 . 0 0 "[ . 1 . ]" 8
63 1 47 ILE HA 1 52 VAL QG 3.600 . 5.500 3.005 2.054 4.138 . 0 0 "[ . 1 . ]" 8
64 1 47 ILE MG 1 52 VAL QG 3.170 . 4.630 2.785 2.440 2.876 . 0 0 "[ . 1 . ]" 8
65 2 47 ILE HA 2 52 VAL QG 3.600 . 5.500 3.005 2.056 4.138 . 0 0 "[ . 1 . ]" 8
66 2 47 ILE MG 2 52 VAL QG 3.170 . 4.630 2.785 2.440 2.877 . 0 0 "[ . 1 . ]" 8
67 1 50 GLN HA 1 53 VAL HB 2.870 . 4.040 3.564 2.916 4.050 0.010 12 0 "[ . 1 . ]" 8
68 1 50 GLN HA 1 53 VAL QG 3.560 . 5.420 2.149 1.782 3.229 . 0 0 "[ . 1 . ]" 8
69 2 50 GLN HA 2 53 VAL HB 2.870 . 4.040 3.565 2.918 4.049 0.009 12 0 "[ . 1 . ]" 8
70 2 50 GLN HA 2 53 VAL QG 3.560 . 5.420 2.150 1.783 3.229 . 0 0 "[ . 1 . ]" 8
71 1 49 GLU QB 1 52 VAL HA 3.580 . 5.460 4.866 4.790 4.907 . 0 0 "[ . 1 . ]" 8
72 1 52 VAL HA 1 55 LYS QD 3.850 . 6.000 3.897 3.186 4.508 . 0 0 "[ . 1 . ]" 8
73 1 52 VAL HA 1 56 VAL QG 3.850 . 6.000 3.810 3.566 4.350 . 0 0 "[ . 1 . ]" 8
74 1 49 GLU QB 1 52 VAL QG 2.820 . 3.940 2.191 1.927 2.399 . 0 0 "[ . 1 . ]" 8
75 1 52 VAL QG 1 56 VAL QG 3.500 . 5.300 2.762 2.320 2.941 . 0 0 "[ . 1 . ]" 8
76 2 49 GLU QB 2 52 VAL HA 3.580 . 5.460 4.866 4.790 4.907 . 0 0 "[ . 1 . ]" 8
77 2 52 VAL HA 2 55 LYS QD 3.850 . 6.000 3.897 3.185 4.509 . 0 0 "[ . 1 . ]" 8
78 2 52 VAL HA 2 56 VAL QG 3.850 . 6.000 3.810 3.565 4.351 . 0 0 "[ . 1 . ]" 8
79 2 49 GLU QB 2 52 VAL QG 2.820 . 3.940 2.191 1.927 2.400 . 0 0 "[ . 1 . ]" 8
80 2 52 VAL QG 2 56 VAL QG 3.500 . 5.300 2.762 2.320 2.941 . 0 0 "[ . 1 . ]" 8
81 1 53 VAL HA 1 56 VAL HB 2.620 . 3.540 2.446 1.803 3.663 0.123 14 0 "[ . 1 . ]" 8
82 1 53 VAL HA 1 56 VAL QG 3.100 . 4.500 1.779 1.469 1.914 0.231 13 0 "[ . 1 . ]" 8
83 1 53 VAL QG 1 56 VAL QG 3.850 . 6.000 2.709 2.381 2.967 . 0 0 "[ . 1 . ]" 8
84 2 53 VAL HA 2 56 VAL HB 2.620 . 3.540 2.446 1.803 3.663 0.123 14 0 "[ . 1 . ]" 8
85 2 53 VAL HA 2 56 VAL QG 3.100 . 4.500 1.779 1.469 1.914 0.231 13 0 "[ . 1 . ]" 8
86 2 53 VAL QG 2 56 VAL QG 3.850 . 6.000 2.709 2.381 2.967 . 0 0 "[ . 1 . ]" 8
87 1 51 GLU HA 1 54 ASP QB 3.050 . 4.400 3.146 2.649 3.508 . 0 0 "[ . 1 . ]" 8
88 2 51 GLU HA 2 54 ASP QB 3.050 . 4.400 3.145 2.649 3.508 . 0 0 "[ . 1 . ]" 8
89 1 52 VAL HA 1 55 LYS QB 3.420 . 5.140 2.829 2.457 3.094 . 0 0 "[ . 1 . ]" 8
90 2 52 VAL HA 2 55 LYS QB 3.420 . 5.140 2.829 2.454 3.093 . 0 0 "[ . 1 . ]" 8
91 1 56 VAL QG 1 60 LEU QD 3.290 . 4.880 2.339 1.787 2.686 . 0 0 "[ . 1 . ]" 8
92 2 56 VAL QG 2 60 LEU QD 3.290 . 4.880 2.339 1.788 2.685 . 0 0 "[ . 1 . ]" 8
93 1 57 MET HA 1 60 LEU QB 2.810 . 3.920 3.054 2.049 3.520 . 0 0 "[ . 1 . ]" 8
94 2 57 MET HA 2 60 LEU QB 2.810 . 3.920 3.054 2.050 3.519 . 0 0 "[ . 1 . ]" 8
95 1 55 LYS HA 1 58 GLU QB 3.280 . 4.860 2.085 1.935 2.300 . 0 0 "[ . 1 . ]" 8
96 2 55 LYS HA 2 58 GLU QB 3.280 . 4.860 2.085 1.936 2.300 . 0 0 "[ . 1 . ]" 8
97 1 56 VAL HA 1 59 THR HB 2.500 . 3.300 2.716 2.178 3.303 0.003 8 0 "[ . 1 . ]" 8
98 1 56 VAL QG 1 59 THR HB 3.250 . 4.800 3.476 3.243 3.573 . 0 0 "[ . 1 . ]" 8
99 1 56 VAL HA 1 59 THR MG 3.850 . 6.000 3.767 3.302 4.057 . 0 0 "[ . 1 . ]" 8
100 2 56 VAL HA 2 59 THR HB 2.500 . 3.300 2.717 2.176 3.303 0.003 8 0 "[ . 1 . ]" 8
101 2 56 VAL QG 2 59 THR HB 3.250 . 4.800 3.476 3.243 3.573 . 0 0 "[ . 1 . ]" 8
102 2 56 VAL HA 2 59 THR MG 3.850 . 6.000 3.767 3.302 4.057 . 0 0 "[ . 1 . ]" 8
103 1 68 CYS HA 1 72 GLU QB 2.970 . 4.240 2.803 2.284 3.295 . 0 0 "[ . 1 . ]" 8
104 2 68 CYS HA 2 72 GLU QB 2.970 . 4.240 2.803 2.284 3.295 . 0 0 "[ . 1 . ]" 8
105 1 70 PHE HA 1 73 PHE QB 2.880 . 4.060 2.812 1.830 3.717 . 0 0 "[ . 1 . ]" 8
106 2 70 PHE HA 2 73 PHE QB 2.880 . 4.060 2.812 1.830 3.715 . 0 0 "[ . 1 . ]" 8
107 1 71 GLN HA 1 74 MET QB 3.300 . 4.900 3.443 2.434 4.221 . 0 0 "[ . 1 . ]" 8
108 2 71 GLN HA 2 74 MET QB 3.300 . 4.900 3.444 2.434 4.223 . 0 0 "[ . 1 . ]" 8
109 1 75 ALA HA 1 78 ALA MB 3.000 . 4.300 2.524 2.240 2.924 . 0 0 "[ . 1 . ]" 8
110 2 75 ALA HA 2 78 ALA MB 3.000 . 4.300 2.524 2.240 2.925 . 0 0 "[ . 1 . ]" 8
111 1 76 PHE HA 1 79 MET QB 2.810 . 3.910 3.382 2.644 3.602 . 0 0 "[ . 1 . ]" 8
112 2 76 PHE HA 2 79 MET QB 2.810 . 3.910 3.382 2.644 3.603 . 0 0 "[ . 1 . ]" 8
113 1 77 VAL HA 1 80 VAL HB 2.950 . 4.200 3.084 2.759 3.322 . 0 0 "[ . 1 . ]" 8
114 2 77 VAL HA 2 80 VAL HB 2.950 . 4.200 3.084 2.759 3.322 . 0 0 "[ . 1 . ]" 8
115 1 76 PHE HA 1 80 VAL HB 3.130 . 4.560 4.580 4.529 4.612 0.052 2 0 "[ . 1 . ]" 8
116 2 76 PHE HA 2 80 VAL HB 3.130 . 4.560 4.580 4.529 4.612 0.052 2 0 "[ . 1 . ]" 8
117 1 78 ALA HA 1 81 THR MG 2.980 . 4.250 3.119 2.059 3.601 . 0 0 "[ . 1 . ]" 8
118 2 78 ALA HA 2 81 THR MG 2.980 . 4.250 3.119 2.060 3.601 . 0 0 "[ . 1 . ]" 8
119 1 80 VAL HA 1 83 ALA MB 2.880 . 4.060 3.244 2.976 3.411 . 0 0 "[ . 1 . ]" 8
120 2 80 VAL HA 2 83 ALA MB 2.880 . 4.060 3.243 2.975 3.411 . 0 0 "[ . 1 . ]" 8
121 1 84 CYS HA 1 86 GLU QB 2.930 . 4.160 3.788 3.768 3.825 . 0 0 "[ . 1 . ]" 8
122 2 84 CYS HA 2 86 GLU QB 2.930 . 4.160 3.788 3.768 3.825 . 0 0 "[ . 1 . ]" 8
stop_
save_
save_distance_constraint_statistics_9
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 9
_Distance_constraint_stats_list.Constraint_count 144
_Distance_constraint_stats_list.Viol_count 105
_Distance_constraint_stats_list.Viol_total 83.139
_Distance_constraint_stats_list.Viol_max 0.143
_Distance_constraint_stats_list.Viol_rms 0.0123
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0466
_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 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 3 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 5 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 6 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 7 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 10 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 11 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 14 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 17 TYR 0.258 0.040 4 0 "[ . 1 . ]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 25 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 27 LEU 1.889 0.143 1 0 "[ . 1 . ]"
1 28 LYS 0.017 0.015 17 0 "[ . 1 . ]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 35 LEU 0.258 0.040 4 0 "[ . 1 . ]"
1 36 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 37 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 56 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 57 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 59 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 62 ASN 0.274 0.041 12 0 "[ . 1 . ]"
1 67 GLU 1.450 0.143 1 0 "[ . 1 . ]"
1 68 CYS 0.455 0.119 12 0 "[ . 1 . ]"
1 69 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 72 GLU 0.274 0.041 12 0 "[ . 1 . ]"
1 74 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 76 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 80 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 82 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 85 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 86 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 87 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 88 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 2 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 3 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 5 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 6 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 7 MET 0.000 0.000 . 0 "[ . 1 . ]"
2 9 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 10 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 11 ILE 0.000 0.000 . 0 "[ . 1 . ]"
2 13 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 14 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 17 TYR 0.261 0.040 4 0 "[ . 1 . ]"
2 18 SER 0.000 0.000 . 0 "[ . 1 . ]"
2 25 HIS 0.000 0.000 . 0 "[ . 1 . ]"
2 26 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 27 LEU 1.894 0.142 1 0 "[ . 1 . ]"
2 28 LYS 0.019 0.016 17 0 "[ . 1 . ]"
2 29 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 32 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 33 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 35 LEU 0.261 0.040 4 0 "[ . 1 . ]"
2 36 ILE 0.000 0.000 . 0 "[ . 1 . ]"
2 37 ASN 0.000 0.000 . 0 "[ . 1 . ]"
2 47 ILE 0.000 0.000 . 0 "[ . 1 . ]"
2 48 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 52 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 53 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 55 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 56 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 57 MET 0.000 0.000 . 0 "[ . 1 . ]"
2 59 THR 0.000 0.000 . 0 "[ . 1 . ]"
2 60 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 62 ASN 0.278 0.041 12 0 "[ . 1 . ]"
2 67 GLU 1.455 0.142 1 0 "[ . 1 . ]"
2 68 CYS 0.459 0.120 12 0 "[ . 1 . ]"
2 69 ASP 0.000 0.000 . 0 "[ . 1 . ]"
2 71 GLN 0.000 0.000 . 0 "[ . 1 . ]"
2 72 GLU 0.278 0.041 12 0 "[ . 1 . ]"
2 74 MET 0.000 0.000 . 0 "[ . 1 . ]"
2 76 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 77 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 78 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 80 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 82 THR 0.000 0.000 . 0 "[ . 1 . ]"
2 83 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 85 HIS 0.000 0.000 . 0 "[ . 1 . ]"
2 86 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 87 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 88 PHE 0.000 0.000 . 0 "[ . 1 . ]"
3 1 THR 0.000 0.000 . 0 "[ . 1 . ]"
3 3 THR 0.000 0.000 . 0 "[ . 1 . ]"
3 4 LYS 0.000 0.000 . 0 "[ . 1 . ]"
3 5 ILE 0.000 0.000 . 0 "[ . 1 . ]"
3 7 TRP 0.000 0.000 . 0 "[ . 1 . ]"
3 9 LYS 0.000 0.000 . 0 "[ . 1 . ]"
3 10 ILE 0.000 0.000 . 0 "[ . 1 . ]"
3 11 LEU 0.000 0.000 . 0 "[ . 1 . ]"
3 12 SER 0.000 0.000 . 0 "[ . 1 . ]"
4 1 THR 0.000 0.000 . 0 "[ . 1 . ]"
4 3 THR 0.000 0.000 . 0 "[ . 1 . ]"
4 4 LYS 0.000 0.000 . 0 "[ . 1 . ]"
4 5 ILE 0.000 0.000 . 0 "[ . 1 . ]"
4 7 TRP 0.000 0.000 . 0 "[ . 1 . ]"
4 9 LYS 0.000 0.000 . 0 "[ . 1 . ]"
4 10 ILE 0.000 0.000 . 0 "[ . 1 . ]"
4 11 LEU 0.000 0.000 . 0 "[ . 1 . ]"
4 12 SER 0.000 0.000 . 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 17 TYR H 1 35 LEU QD 3.900 . 6.000 3.492 3.278 3.871 . 0 0 "[ . 1 . ]" 9
2 1 17 TYR H 1 35 LEU HG 3.310 . 4.830 4.824 4.637 4.870 0.040 4 0 "[ . 1 . ]" 9
3 2 17 TYR H 2 35 LEU QD 3.900 . 6.000 3.492 3.279 3.871 . 0 0 "[ . 1 . ]" 9
4 2 17 TYR H 2 35 LEU HG 3.310 . 4.830 4.824 4.637 4.870 0.040 4 0 "[ . 1 . ]" 9
5 1 18 SER H 1 27 LEU QD 3.200 . 4.600 2.390 2.126 2.735 . 0 0 "[ . 1 . ]" 9
6 2 18 SER H 2 27 LEU QD 3.200 . 4.600 2.390 2.126 2.736 . 0 0 "[ . 1 . ]" 9
7 1 26 LYS H 1 69 ASP QB 2.980 . 4.170 3.786 3.747 3.825 . 0 0 "[ . 1 . ]" 9
8 2 26 LYS H 2 69 ASP QB 2.980 . 4.170 3.786 3.748 3.825 . 0 0 "[ . 1 . ]" 9
9 1 27 LEU H 1 68 CYS QB 3.770 . 5.740 3.684 3.339 3.955 . 0 0 "[ . 1 . ]" 9
10 1 27 LEU H 1 69 ASP HA 3.900 . 6.000 2.981 2.739 3.223 . 0 0 "[ . 1 . ]" 9
11 2 27 LEU H 2 68 CYS QB 3.770 . 5.740 3.684 3.339 3.955 . 0 0 "[ . 1 . ]" 9
12 2 27 LEU H 2 69 ASP HA 3.900 . 6.000 2.981 2.740 3.224 . 0 0 "[ . 1 . ]" 9
13 1 28 LYS H 1 67 GLU QG 3.720 . 5.640 3.491 3.126 4.414 . 0 0 "[ . 1 . ]" 9
14 2 28 LYS H 2 67 GLU QG 3.720 . 5.640 3.491 3.125 4.413 . 0 0 "[ . 1 . ]" 9
15 1 29 LYS H 1 57 MET ME 3.900 . 6.000 2.756 2.187 3.780 . 0 0 "[ . 1 . ]" 9
16 2 29 LYS H 2 57 MET ME 3.900 . 6.000 2.755 2.186 3.780 . 0 0 "[ . 1 . ]" 9
17 1 32 LEU H 1 57 MET ME 3.330 . 4.860 3.885 3.488 4.074 . 0 0 "[ . 1 . ]" 9
18 2 32 LEU H 2 57 MET ME 3.330 . 4.860 3.885 3.489 4.074 . 0 0 "[ . 1 . ]" 9
19 1 33 LYS H 1 57 MET ME 3.400 . 5.000 4.119 3.495 4.211 . 0 0 "[ . 1 . ]" 9
20 2 33 LYS H 2 57 MET ME 3.400 . 5.000 4.119 3.496 4.211 . 0 0 "[ . 1 . ]" 9
21 1 17 TYR QE 1 35 LEU H 3.690 . 5.580 3.937 2.370 4.973 . 0 0 "[ . 1 . ]" 9
22 2 17 TYR QE 2 35 LEU H 3.690 . 5.580 3.937 2.370 4.973 . 0 0 "[ . 1 . ]" 9
23 1 37 ASN H 1 47 ILE MG 3.900 . 6.000 4.973 4.779 5.052 . 0 0 "[ . 1 . ]" 9
24 2 37 ASN H 2 47 ILE MG 3.900 . 6.000 4.974 4.779 5.052 . 0 0 "[ . 1 . ]" 9
25 1 36 ILE MG 1 47 ILE H 3.550 . 5.300 3.281 2.071 4.450 . 0 0 "[ . 1 . ]" 9
26 2 36 ILE MG 2 47 ILE H 3.550 . 5.300 3.281 2.071 4.451 . 0 0 "[ . 1 . ]" 9
27 1 47 ILE MG 1 53 VAL H 3.080 . 4.360 3.489 3.382 3.660 . 0 0 "[ . 1 . ]" 9
28 2 47 ILE MG 2 53 VAL H 3.080 . 4.360 3.489 3.383 3.660 . 0 0 "[ . 1 . ]" 9
29 1 62 ASN H 1 72 GLU HA 3.330 . 4.870 4.875 4.758 4.911 0.041 12 0 "[ . 1 . ]" 9
30 1 62 ASN H 1 72 GLU QB 3.360 . 4.920 3.984 2.784 4.415 . 0 0 "[ . 1 . ]" 9
31 1 62 ASN H 1 72 GLU QG 3.340 . 4.880 3.715 3.326 4.377 . 0 0 "[ . 1 . ]" 9
32 2 62 ASN H 2 72 GLU HA 3.330 . 4.870 4.876 4.757 4.911 0.041 12 0 "[ . 1 . ]" 9
33 2 62 ASN H 2 72 GLU QB 3.360 . 4.920 3.984 2.785 4.416 . 0 0 "[ . 1 . ]" 9
34 2 62 ASN H 2 72 GLU QG 3.340 . 4.880 3.715 3.326 4.377 . 0 0 "[ . 1 . ]" 9
35 1 27 LEU H 1 67 GLU H 3.650 . 5.500 5.585 5.552 5.643 0.143 1 0 "[ . 1 . ]" 9
36 1 57 MET ME 1 67 GLU H 3.900 . 6.000 5.005 4.829 5.047 . 0 0 "[ . 1 . ]" 9
37 2 27 LEU H 2 67 GLU H 3.650 . 5.500 5.586 5.552 5.642 0.142 1 0 "[ . 1 . ]" 9
38 2 57 MET ME 2 67 GLU H 3.900 . 6.000 5.005 4.829 5.048 . 0 0 "[ . 1 . ]" 9
39 1 27 LEU HA 1 68 CYS H 3.100 . 4.400 4.321 4.015 4.519 0.119 12 0 "[ . 1 . ]" 9
40 1 27 LEU QD 1 68 CYS H 3.730 . 5.670 4.099 3.818 4.216 . 0 0 "[ . 1 . ]" 9
41 1 27 LEU H 1 68 CYS H 2.880 . 3.960 2.474 2.064 2.938 . 0 0 "[ . 1 . ]" 9
42 1 28 LYS HA 1 68 CYS H 2.790 . 3.770 3.562 3.287 3.785 0.015 17 0 "[ . 1 . ]" 9
43 1 57 MET ME 1 68 CYS H 2.610 . 3.420 2.761 2.213 2.884 . 0 0 "[ . 1 . ]" 9
44 2 27 LEU HA 2 68 CYS H 3.100 . 4.400 4.321 4.017 4.520 0.120 12 0 "[ . 1 . ]" 9
45 2 27 LEU QD 2 68 CYS H 3.730 . 5.670 4.099 3.818 4.216 . 0 0 "[ . 1 . ]" 9
46 2 27 LEU H 2 68 CYS H 2.880 . 3.960 2.474 2.062 2.940 . 0 0 "[ . 1 . ]" 9
47 2 28 LYS HA 2 68 CYS H 2.790 . 3.770 3.562 3.287 3.786 0.016 17 0 "[ . 1 . ]" 9
48 2 57 MET ME 2 68 CYS H 2.610 . 3.420 2.761 2.213 2.885 . 0 0 "[ . 1 . ]" 9
49 1 14 PHE QD 1 71 GLN H 3.750 . 5.700 5.135 4.973 5.188 . 0 0 "[ . 1 . ]" 9
50 1 14 PHE QE 1 71 GLN H 3.900 . 6.000 4.629 4.282 5.360 . 0 0 "[ . 1 . ]" 9
51 2 14 PHE QD 2 71 GLN H 3.750 . 5.700 5.135 4.973 5.189 . 0 0 "[ . 1 . ]" 9
52 2 14 PHE QE 2 71 GLN H 3.900 . 6.000 4.630 4.281 5.361 . 0 0 "[ . 1 . ]" 9
53 1 60 LEU QD 1 76 PHE H 3.620 . 5.440 3.194 2.293 3.729 . 0 0 "[ . 1 . ]" 9
54 2 60 LEU QD 2 76 PHE H 3.620 . 5.440 3.194 2.294 3.729 . 0 0 "[ . 1 . ]" 9
55 1 10 LEU QD 1 77 VAL H 3.900 . 6.000 4.477 4.459 4.500 . 0 0 "[ . 1 . ]" 9
56 2 10 LEU QD 2 77 VAL H 3.900 . 6.000 4.477 4.459 4.500 . 0 0 "[ . 1 . ]" 9
57 1 5 LYS QE 2 9 ALA MB 3.850 . 6.000 4.030 2.972 4.462 . 0 0 "[ . 1 . ]" 9
58 1 9 ALA MB 2 5 LYS QE 3.850 . 6.000 4.032 2.972 4.461 . 0 0 "[ . 1 . ]" 9
59 1 6 ALA MB 2 10 LEU QD 3.850 . 6.000 2.726 2.085 3.326 . 0 0 "[ . 1 . ]" 9
60 1 6 ALA MB 2 6 ALA HA 3.850 . 6.000 1.919 1.846 2.016 . 0 0 "[ . 1 . ]" 9
61 1 6 ALA MB 2 9 ALA MB 3.850 . 6.000 2.107 1.864 2.432 . 0 0 "[ . 1 . ]" 9
62 1 10 LEU QD 2 6 ALA MB 3.850 . 6.000 2.729 2.083 3.333 . 0 0 "[ . 1 . ]" 9
63 1 6 ALA HA 2 6 ALA MB 3.850 . 6.000 1.917 1.845 2.011 . 0 0 "[ . 1 . ]" 9
64 1 9 ALA MB 2 6 ALA MB 3.850 . 6.000 2.103 1.861 2.438 . 0 0 "[ . 1 . ]" 9
65 1 7 MET ME 2 77 VAL MG1 3.850 . 6.000 2.606 1.743 3.996 . 0 0 "[ . 1 . ]" 9
66 1 77 VAL MG1 2 7 MET ME 3.850 . 6.000 2.606 1.745 3.991 . 0 0 "[ . 1 . ]" 9
67 1 7 MET ME 2 77 VAL HB 3.850 . 6.000 3.710 2.114 4.958 . 0 0 "[ . 1 . ]" 9
68 1 77 VAL HB 2 7 MET ME 3.850 . 6.000 3.713 2.116 4.957 . 0 0 "[ . 1 . ]" 9
69 1 11 ILE MG 2 85 HIS HD2 3.850 . 6.000 4.000 2.822 5.001 . 0 0 "[ . 1 . ]" 9
70 1 11 ILE MG 2 85 HIS HE1 3.850 . 6.000 4.838 4.140 5.012 . 0 0 "[ . 1 . ]" 9
71 1 85 HIS HD2 2 11 ILE MG 3.850 . 6.000 4.003 2.824 5.000 . 0 0 "[ . 1 . ]" 9
72 1 85 HIS HE1 2 11 ILE MG 3.850 . 6.000 4.835 4.067 5.012 . 0 0 "[ . 1 . ]" 9
73 1 13 VAL QG 2 2 GLU QB 3.850 . 6.000 2.985 1.901 3.974 . 0 0 "[ . 1 . ]" 9
74 1 13 VAL QG 2 2 GLU QG 3.850 . 6.000 3.075 2.268 3.971 . 0 0 "[ . 1 . ]" 9
75 1 2 GLU QB 2 13 VAL QG 3.850 . 6.000 2.984 1.905 3.974 . 0 0 "[ . 1 . ]" 9
76 1 2 GLU QG 2 13 VAL QG 3.850 . 6.000 3.071 2.278 3.971 . 0 0 "[ . 1 . ]" 9
77 1 13 VAL QG 2 3 LEU HA 3.850 . 6.000 4.239 3.846 4.465 . 0 0 "[ . 1 . ]" 9
78 1 3 LEU HA 2 13 VAL QG 3.850 . 6.000 4.245 3.832 4.465 . 0 0 "[ . 1 . ]" 9
79 1 25 HIS HD2 2 87 PHE QD 3.850 . 6.000 5.374 5.355 5.406 . 0 0 "[ . 1 . ]" 9
80 1 87 PHE QD 2 25 HIS HD2 3.850 . 6.000 5.373 5.358 5.406 . 0 0 "[ . 1 . ]" 9
81 1 71 GLN HA 2 82 THR MG 3.850 . 6.000 2.643 1.837 4.085 . 0 0 "[ . 1 . ]" 9
82 1 71 GLN QG 2 82 THR HG1 3.850 . 6.000 3.881 3.197 4.247 . 0 0 "[ . 1 . ]" 9
83 1 82 THR MG 2 71 GLN HA 3.850 . 6.000 2.648 1.830 4.078 . 0 0 "[ . 1 . ]" 9
84 1 82 THR HG1 2 71 GLN QG 3.850 . 6.000 3.882 3.197 4.247 . 0 0 "[ . 1 . ]" 9
85 1 74 MET ME 2 78 ALA HA 3.850 . 6.000 2.813 1.806 4.155 . 0 0 "[ . 1 . ]" 9
86 1 78 ALA HA 2 74 MET ME 3.850 . 6.000 2.820 1.798 4.154 . 0 0 "[ . 1 . ]" 9
87 1 77 VAL QG 2 74 MET ME 3.850 . 6.000 3.193 1.897 3.713 . 0 0 "[ . 1 . ]" 9
88 1 74 MET ME 2 77 VAL QG 3.850 . 6.000 3.195 1.896 3.713 . 0 0 "[ . 1 . ]" 9
89 1 48 LYS QE 3 10 ILE MG 3.850 . 6.000 4.426 4.185 4.484 . 0 0 "[ . 1 . ]" 9
90 2 48 LYS QE 4 10 ILE MG 3.850 . 6.000 4.426 4.186 4.483 . 0 0 "[ . 1 . ]" 9
91 1 52 VAL HB 3 11 LEU QD 3.850 . 6.000 4.456 4.264 4.511 . 0 0 "[ . 1 . ]" 9
92 2 52 VAL HB 4 11 LEU QD 3.850 . 6.000 4.456 4.263 4.512 . 0 0 "[ . 1 . ]" 9
93 1 52 VAL QG 3 10 ILE QG 3.850 . 6.000 3.632 3.305 3.969 . 0 0 "[ . 1 . ]" 9
94 2 52 VAL QG 4 10 ILE QG 3.850 . 6.000 3.632 3.305 3.967 . 0 0 "[ . 1 . ]" 9
95 1 53 VAL HA 3 10 ILE QG 3.850 . 6.000 4.924 4.295 5.376 . 0 0 "[ . 1 . ]" 9
96 2 53 VAL HA 4 10 ILE QG 3.850 . 6.000 4.924 4.296 5.375 . 0 0 "[ . 1 . ]" 9
97 1 55 LYS HA 3 10 ILE HB 3.850 . 6.000 4.573 4.127 5.019 . 0 0 "[ . 1 . ]" 9
98 2 55 LYS HA 4 10 ILE HB 3.850 . 6.000 4.573 4.127 5.020 . 0 0 "[ . 1 . ]" 9
99 1 55 LYS QB 3 9 LYS QD 3.850 . 6.000 4.310 3.519 4.691 . 0 0 "[ . 1 . ]" 9
100 1 55 LYS QB 3 10 ILE MG 3.850 . 6.000 4.023 3.595 4.466 . 0 0 "[ . 1 . ]" 9
101 1 55 LYS QD 3 9 LYS QB 3.850 . 6.000 3.990 3.422 4.767 . 0 0 "[ . 1 . ]" 9
102 1 55 LYS QD 3 9 LYS QD 3.850 . 6.000 2.483 1.939 3.085 . 0 0 "[ . 1 . ]" 9
103 1 55 LYS QD 3 9 LYS QG 3.850 . 6.000 4.359 3.953 4.701 . 0 0 "[ . 1 . ]" 9
104 1 55 LYS QD 3 10 ILE MG 3.850 . 6.000 4.326 4.197 4.454 . 0 0 "[ . 1 . ]" 9
105 1 55 LYS QG 3 10 ILE MG 3.850 . 6.000 4.427 4.172 4.466 . 0 0 "[ . 1 . ]" 9
106 2 55 LYS QB 4 9 LYS QD 3.850 . 6.000 4.310 3.519 4.691 . 0 0 "[ . 1 . ]" 9
107 2 55 LYS QB 4 10 ILE MG 3.850 . 6.000 4.023 3.595 4.465 . 0 0 "[ . 1 . ]" 9
108 2 55 LYS QD 4 9 LYS QB 3.850 . 6.000 3.990 3.422 4.767 . 0 0 "[ . 1 . ]" 9
109 2 55 LYS QD 4 9 LYS QD 3.850 . 6.000 2.484 1.938 3.085 . 0 0 "[ . 1 . ]" 9
110 2 55 LYS QD 4 9 LYS QG 3.850 . 6.000 4.359 3.953 4.701 . 0 0 "[ . 1 . ]" 9
111 2 55 LYS QD 4 10 ILE MG 3.850 . 6.000 4.326 4.197 4.455 . 0 0 "[ . 1 . ]" 9
112 2 55 LYS QG 4 10 ILE MG 3.850 . 6.000 4.427 4.172 4.466 . 0 0 "[ . 1 . ]" 9
113 1 56 VAL HA 3 10 ILE MG 3.850 . 6.000 2.665 2.469 2.855 . 0 0 "[ . 1 . ]" 9
114 1 56 VAL HB 3 10 ILE MG 3.850 . 6.000 4.521 2.938 5.036 . 0 0 "[ . 1 . ]" 9
115 2 56 VAL HA 4 10 ILE MG 3.850 . 6.000 2.665 2.470 2.856 . 0 0 "[ . 1 . ]" 9
116 2 56 VAL HB 4 10 ILE MG 3.850 . 6.000 4.521 2.939 5.036 . 0 0 "[ . 1 . ]" 9
117 1 59 THR HB 3 10 ILE QG 3.850 . 6.000 4.769 4.131 5.380 . 0 0 "[ . 1 . ]" 9
118 1 59 THR HB 3 10 ILE MG 3.850 . 6.000 3.020 2.316 3.449 . 0 0 "[ . 1 . ]" 9
119 1 59 THR MG 3 10 ILE QG 3.850 . 6.000 4.406 4.105 4.485 . 0 0 "[ . 1 . ]" 9
120 1 59 THR MG 3 10 ILE MG 3.850 . 6.000 2.060 1.730 2.581 . 0 0 "[ . 1 . ]" 9
121 1 59 THR MG 3 12 SER HA 3.850 . 6.000 5.069 5.030 5.125 . 0 0 "[ . 1 . ]" 9
122 2 59 THR HB 4 10 ILE QG 3.850 . 6.000 4.770 4.131 5.379 . 0 0 "[ . 1 . ]" 9
123 2 59 THR HB 4 10 ILE MG 3.850 . 6.000 3.020 2.316 3.451 . 0 0 "[ . 1 . ]" 9
124 2 59 THR MG 4 10 ILE QG 3.850 . 6.000 4.406 4.105 4.485 . 0 0 "[ . 1 . ]" 9
125 2 59 THR MG 4 10 ILE MG 3.850 . 6.000 2.060 1.730 2.581 . 0 0 "[ . 1 . ]" 9
126 2 59 THR MG 4 12 SER HA 3.850 . 6.000 5.068 5.030 5.126 . 0 0 "[ . 1 . ]" 9
127 1 80 VAL MG1 3 7 TRP HE3 3.850 . 6.000 4.989 4.498 5.072 . 0 0 "[ . 1 . ]" 9
128 2 80 VAL MG1 4 7 TRP HE3 3.850 . 6.000 4.989 4.499 5.074 . 0 0 "[ . 1 . ]" 9
129 1 83 ALA MB 3 1 THR HB 3.850 . 6.000 3.510 1.972 4.376 . 0 0 "[ . 1 . ]" 9
130 1 83 ALA MB 3 1 THR MG 3.850 . 6.000 2.983 1.833 3.889 . 0 0 "[ . 1 . ]" 9
131 1 83 ALA MB 3 3 THR HA 3.850 . 6.000 5.020 4.877 5.054 . 0 0 "[ . 1 . ]" 9
132 1 83 ALA MB 3 4 LYS QB 3.850 . 6.000 4.171 3.503 4.519 . 0 0 "[ . 1 . ]" 9
133 1 83 ALA MB 3 4 LYS QD 3.850 . 6.000 4.320 3.570 4.499 . 0 0 "[ . 1 . ]" 9
134 2 83 ALA MB 4 1 THR HB 3.850 . 6.000 3.510 1.972 4.377 . 0 0 "[ . 1 . ]" 9
135 2 83 ALA MB 4 1 THR MG 3.850 . 6.000 2.983 1.831 3.889 . 0 0 "[ . 1 . ]" 9
136 2 83 ALA MB 4 3 THR HA 3.850 . 6.000 5.020 4.876 5.054 . 0 0 "[ . 1 . ]" 9
137 2 83 ALA MB 4 4 LYS QB 3.850 . 6.000 4.171 3.504 4.518 . 0 0 "[ . 1 . ]" 9
138 2 83 ALA MB 4 4 LYS QD 3.850 . 6.000 4.320 3.569 4.499 . 0 0 "[ . 1 . ]" 9
139 1 86 GLU QB 3 1 THR HB 3.850 . 6.000 5.318 5.012 5.393 . 0 0 "[ . 1 . ]" 9
140 2 86 GLU QB 4 1 THR HB 3.850 . 6.000 5.318 5.011 5.393 . 0 0 "[ . 1 . ]" 9
141 1 88 PHE HB2 3 5 ILE MG 3.850 . 6.000 5.028 4.995 5.056 . 0 0 "[ . 1 . ]" 9
142 2 88 PHE HB2 4 5 ILE MG 3.850 . 6.000 5.028 4.995 5.055 . 0 0 "[ . 1 . ]" 9
143 1 56 VAL MG2 3 10 ILE QG 3.850 . 6.000 2.390 1.770 4.226 . 0 0 "[ . 1 . ]" 9
144 2 56 VAL MG2 4 10 ILE QG 3.850 . 6.000 2.390 1.769 4.226 . 0 0 "[ . 1 . ]" 9
stop_
save_
save_distance_constraint_statistics_10
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 10
_Distance_constraint_stats_list.Constraint_count 246
_Distance_constraint_stats_list.Viol_count 583
_Distance_constraint_stats_list.Viol_total 372.647
_Distance_constraint_stats_list.Viol_max 0.174
_Distance_constraint_stats_list.Viol_rms 0.0174
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0052
_Distance_constraint_stats_list.Viol_average_violations_only 0.0376
_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 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 2 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 3 LEU 0.069 0.016 15 0 "[ . 1 . ]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 5 LYS 0.069 0.016 15 0 "[ . 1 . ]"
1 6 ALA 0.841 0.092 15 0 "[ . 1 . ]"
1 8 VAL 1.304 0.101 9 0 "[ . 1 . ]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 10 LEU 2.144 0.101 9 0 "[ . 1 . ]"
1 11 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 12 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 14 PHE 0.579 0.088 17 0 "[ . 1 . ]"
1 15 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 16 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 17 TYR 0.579 0.088 17 0 "[ . 1 . ]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 19 GLY 0.196 0.084 7 0 "[ . 1 . ]"
1 24 LYS 0.196 0.084 7 0 "[ . 1 . ]"
1 27 LEU 0.413 0.067 4 0 "[ . 1 . ]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 31 GLU 0.413 0.067 4 0 "[ . 1 . ]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 34 GLU 0.056 0.023 16 0 "[ . 1 . ]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 36 ILE 0.835 0.112 5 0 "[ . 1 . ]"
1 37 ASN 0.360 0.056 5 0 "[ . 1 . ]"
1 38 ASN 0.119 0.025 8 0 "[ . 1 . ]"
1 39 GLU 0.835 0.112 5 0 "[ . 1 . ]"
1 40 LEU 0.423 0.056 5 0 "[ . 1 . ]"
1 47 ILE 0.011 0.011 15 0 "[ . 1 . ]"
1 48 LYS 0.516 0.125 8 0 "[ . 1 . ]"
1 49 GLU 0.267 0.068 13 0 "[ . 1 . ]"
1 50 GLN 0.160 0.032 17 0 "[ . 1 . ]"
1 51 GLU 0.099 0.025 13 0 "[ . 1 . ]"
1 52 VAL 0.932 0.125 8 0 "[ . 1 . ]"
1 53 VAL 0.099 0.025 13 0 "[ . 1 . ]"
1 54 ASP 0.799 0.071 8 0 "[ . 1 . ]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 56 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 57 MET 0.801 0.071 8 0 "[ . 1 . ]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 59 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 60 LEU 0.001 0.001 1 0 "[ . 1 . ]"
1 61 ASP 0.049 0.021 8 0 "[ . 1 . ]"
1 62 ASN 0.381 0.044 12 0 "[ . 1 . ]"
1 63 ASP 0.308 0.159 1 0 "[ . 1 . ]"
1 64 GLY 0.066 0.035 1 0 "[ . 1 . ]"
1 65 ASP 0.575 0.048 1 0 "[ . 1 . ]"
1 66 GLY 0.159 0.159 1 0 "[ . 1 . ]"
1 67 GLU 0.159 0.042 1 0 "[ . 1 . ]"
1 68 CYS 0.080 0.032 11 0 "[ . 1 . ]"
1 69 ASP 0.141 0.069 8 0 "[ . 1 . ]"
1 70 PHE 0.400 0.069 4 0 "[ . 1 . ]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 72 GLU 0.589 0.069 8 0 "[ . 1 . ]"
1 73 PHE 0.554 0.062 3 0 "[ . 1 . ]"
1 74 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 75 ALA 0.020 0.014 17 0 "[ . 1 . ]"
1 76 PHE 0.005 0.005 11 0 "[ . 1 . ]"
1 77 VAL 0.536 0.062 3 0 "[ . 1 . ]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 79 MET 0.007 0.007 17 0 "[ . 1 . ]"
1 80 VAL 0.001 0.001 6 0 "[ . 1 . ]"
1 81 THR 0.007 0.007 17 0 "[ . 1 . ]"
1 82 THR 0.500 0.078 3 0 "[ . 1 . ]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 84 CYS 0.500 0.078 3 0 "[ . 1 . ]"
1 85 HIS 0.175 0.112 6 0 "[ . 1 . ]"
1 86 GLU 1.711 0.174 7 0 "[ . 1 . ]"
1 88 PHE 0.175 0.112 6 0 "[ . 1 . ]"
1 89 GLU 1.711 0.174 7 0 "[ . 1 . ]"
2 1 SER 0.000 0.000 . 0 "[ . 1 . ]"
2 2 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 3 LEU 0.067 0.015 15 0 "[ . 1 . ]"
2 4 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 5 LYS 0.067 0.015 15 0 "[ . 1 . ]"
2 6 ALA 0.840 0.092 15 0 "[ . 1 . ]"
2 8 VAL 1.308 0.102 9 0 "[ . 1 . ]"
2 9 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 10 LEU 2.148 0.102 9 0 "[ . 1 . ]"
2 11 ILE 0.000 0.000 . 0 "[ . 1 . ]"
2 12 ASP 0.000 0.000 . 0 "[ . 1 . ]"
2 13 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 14 PHE 0.581 0.087 17 0 "[ . 1 . ]"
2 15 HIS 0.000 0.000 . 0 "[ . 1 . ]"
2 16 GLN 0.000 0.000 . 0 "[ . 1 . ]"
2 17 TYR 0.581 0.087 17 0 "[ . 1 . ]"
2 18 SER 0.000 0.000 . 0 "[ . 1 . ]"
2 19 GLY 0.197 0.084 7 0 "[ . 1 . ]"
2 24 LYS 0.197 0.084 7 0 "[ . 1 . ]"
2 27 LEU 0.413 0.066 4 0 "[ . 1 . ]"
2 28 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 29 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 31 GLU 0.413 0.066 4 0 "[ . 1 . ]"
2 32 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 33 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 34 GLU 0.060 0.025 16 0 "[ . 1 . ]"
2 35 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 36 ILE 0.834 0.112 5 0 "[ . 1 . ]"
2 37 ASN 0.363 0.055 5 0 "[ . 1 . ]"
2 38 ASN 0.123 0.026 8 0 "[ . 1 . ]"
2 39 GLU 0.834 0.112 5 0 "[ . 1 . ]"
2 40 LEU 0.427 0.055 5 0 "[ . 1 . ]"
2 47 ILE 0.011 0.011 15 0 "[ . 1 . ]"
2 48 LYS 0.516 0.126 8 0 "[ . 1 . ]"
2 49 GLU 0.265 0.068 13 0 "[ . 1 . ]"
2 50 GLN 0.166 0.032 17 0 "[ . 1 . ]"
2 51 GLU 0.102 0.025 13 0 "[ . 1 . ]"
2 52 VAL 0.937 0.126 8 0 "[ . 1 . ]"
2 53 VAL 0.102 0.025 13 0 "[ . 1 . ]"
2 54 ASP 0.791 0.071 8 0 "[ . 1 . ]"
2 55 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 56 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 57 MET 0.793 0.071 8 0 "[ . 1 . ]"
2 58 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 59 THR 0.000 0.000 . 0 "[ . 1 . ]"
2 60 LEU 0.002 0.002 1 0 "[ . 1 . ]"
2 61 ASP 0.050 0.020 8 0 "[ . 1 . ]"
2 62 ASN 0.379 0.043 12 0 "[ . 1 . ]"
2 63 ASP 0.307 0.159 1 0 "[ . 1 . ]"
2 64 GLY 0.066 0.034 1 0 "[ . 1 . ]"
2 65 ASP 0.568 0.048 1 0 "[ . 1 . ]"
2 66 GLY 0.159 0.159 1 0 "[ . 1 . ]"
2 67 GLU 0.157 0.040 1 0 "[ . 1 . ]"
2 68 CYS 0.079 0.032 11 0 "[ . 1 . ]"
2 69 ASP 0.142 0.069 8 0 "[ . 1 . ]"
2 70 PHE 0.399 0.068 4 0 "[ . 1 . ]"
2 71 GLN 0.000 0.000 . 0 "[ . 1 . ]"
2 72 GLU 0.585 0.069 8 0 "[ . 1 . ]"
2 73 PHE 0.558 0.062 3 0 "[ . 1 . ]"
2 74 MET 0.000 0.000 . 0 "[ . 1 . ]"
2 75 ALA 0.018 0.014 17 0 "[ . 1 . ]"
2 76 PHE 0.005 0.005 11 0 "[ . 1 . ]"
2 77 VAL 0.539 0.062 3 0 "[ . 1 . ]"
2 78 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 79 MET 0.006 0.006 17 0 "[ . 1 . ]"
2 80 VAL 0.003 0.003 6 0 "[ . 1 . ]"
2 81 THR 0.006 0.006 17 0 "[ . 1 . ]"
2 82 THR 0.500 0.076 3 0 "[ . 1 . ]"
2 83 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 84 CYS 0.500 0.076 3 0 "[ . 1 . ]"
2 85 HIS 0.174 0.111 6 0 "[ . 1 . ]"
2 86 GLU 1.701 0.174 7 0 "[ . 1 . ]"
2 88 PHE 0.174 0.111 6 0 "[ . 1 . ]"
2 89 GLU 1.701 0.174 7 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 SER HA 1 3 LEU H 3.190 . 4.590 3.385 3.102 3.903 . 0 0 "[ . 1 . ]" 10
2 2 1 SER HA 2 3 LEU H 3.190 . 4.590 3.385 3.102 3.903 . 0 0 "[ . 1 . ]" 10
3 1 1 SER HA 1 4 GLU H 3.050 . 4.300 3.786 3.441 4.220 . 0 0 "[ . 1 . ]" 10
4 2 1 SER HA 2 4 GLU H 3.050 . 4.300 3.786 3.440 4.219 . 0 0 "[ . 1 . ]" 10
5 1 1 SER HA 1 5 LYS H 3.900 . 6.000 5.172 4.704 5.641 . 0 0 "[ . 1 . ]" 10
6 1 3 LEU HA 1 5 LYS H 3.250 . 4.710 4.611 4.348 4.726 0.016 15 0 "[ . 1 . ]" 10
7 2 1 SER HA 2 5 LYS H 3.900 . 6.000 5.172 4.703 5.640 . 0 0 "[ . 1 . ]" 10
8 2 3 LEU HA 2 5 LYS H 3.250 . 4.710 4.611 4.349 4.725 0.015 15 0 "[ . 1 . ]" 10
9 1 2 GLU HA 1 6 ALA H 2.980 . 4.160 3.516 3.172 3.862 . 0 0 "[ . 1 . ]" 10
10 1 2 GLU QG 1 6 ALA H 3.500 . 5.210 4.635 4.478 4.669 . 0 0 "[ . 1 . ]" 10
11 1 3 LEU HA 1 6 ALA H 3.530 . 5.260 3.931 3.499 4.235 . 0 0 "[ . 1 . ]" 10
12 1 4 GLU H 1 6 ALA H 3.480 . 5.160 4.131 3.734 4.679 . 0 0 "[ . 1 . ]" 10
13 2 2 GLU HA 2 6 ALA H 2.980 . 4.160 3.516 3.174 3.861 . 0 0 "[ . 1 . ]" 10
14 2 2 GLU QG 2 6 ALA H 3.500 . 5.210 4.635 4.479 4.669 . 0 0 "[ . 1 . ]" 10
15 2 3 LEU HA 2 6 ALA H 3.530 . 5.260 3.931 3.501 4.236 . 0 0 "[ . 1 . ]" 10
16 2 4 GLU H 2 6 ALA H 3.480 . 5.160 4.132 3.735 4.679 . 0 0 "[ . 1 . ]" 10
17 1 5 LYS HA 1 8 VAL H 3.160 . 4.520 3.854 3.548 4.183 . 0 0 "[ . 1 . ]" 10
18 2 5 LYS HA 2 8 VAL H 3.160 . 4.520 3.854 3.548 4.184 . 0 0 "[ . 1 . ]" 10
19 1 5 LYS HA 1 9 ALA H 3.210 . 4.620 3.960 3.776 4.107 . 0 0 "[ . 1 . ]" 10
20 1 6 ALA HA 1 9 ALA H 2.650 . 3.500 3.393 3.227 3.486 . 0 0 "[ . 1 . ]" 10
21 2 5 LYS HA 2 9 ALA H 3.210 . 4.620 3.959 3.778 4.104 . 0 0 "[ . 1 . ]" 10
22 2 6 ALA HA 2 9 ALA H 2.650 . 3.500 3.393 3.225 3.489 . 0 0 "[ . 1 . ]" 10
23 1 10 LEU H 1 12 ASP H 3.380 . 4.960 3.993 3.784 4.281 . 0 0 "[ . 1 . ]" 10
24 1 6 ALA HA 1 10 LEU H 2.960 . 4.120 4.169 4.130 4.212 0.092 15 0 "[ . 1 . ]" 10
25 1 8 VAL HA 1 10 LEU H 2.900 . 4.000 4.077 4.045 4.101 0.101 9 0 "[ . 1 . ]" 10
26 2 10 LEU H 2 12 ASP H 3.380 . 4.960 3.993 3.783 4.280 . 0 0 "[ . 1 . ]" 10
27 2 6 ALA HA 2 10 LEU H 2.960 . 4.120 4.169 4.133 4.212 0.092 15 0 "[ . 1 . ]" 10
28 2 8 VAL HA 2 10 LEU H 2.900 . 4.000 4.077 4.043 4.102 0.102 9 0 "[ . 1 . ]" 10
29 1 8 VAL HA 1 11 ILE H 3.050 . 4.300 3.075 2.933 3.498 . 0 0 "[ . 1 . ]" 10
30 2 8 VAL HA 2 11 ILE H 3.050 . 4.300 3.075 2.932 3.499 . 0 0 "[ . 1 . ]" 10
31 1 9 ALA HA 1 12 ASP H 3.000 . 4.200 3.596 3.352 3.957 . 0 0 "[ . 1 . ]" 10
32 2 9 ALA HA 2 12 ASP H 3.000 . 4.200 3.596 3.349 3.955 . 0 0 "[ . 1 . ]" 10
33 1 9 ALA HA 1 13 VAL H 3.360 . 4.920 4.614 4.352 4.740 . 0 0 "[ . 1 . ]" 10
34 2 9 ALA HA 2 13 VAL H 3.360 . 4.920 4.614 4.351 4.739 . 0 0 "[ . 1 . ]" 10
35 1 12 ASP HA 1 16 GLN H 3.670 . 5.550 4.212 3.768 4.592 . 0 0 "[ . 1 . ]" 10
36 1 13 VAL HA 1 16 GLN H 3.310 . 4.830 3.684 3.370 3.903 . 0 0 "[ . 1 . ]" 10
37 1 14 PHE HA 1 16 GLN H 3.640 . 5.480 3.860 3.686 4.022 . 0 0 "[ . 1 . ]" 10
38 1 14 PHE H 1 16 GLN H 3.600 . 5.410 3.942 3.789 4.103 . 0 0 "[ . 1 . ]" 10
39 1 16 GLN H 1 18 SER H 3.630 . 5.460 4.136 3.830 4.446 . 0 0 "[ . 1 . ]" 10
40 2 12 ASP HA 2 16 GLN H 3.670 . 5.550 4.212 3.768 4.591 . 0 0 "[ . 1 . ]" 10
41 2 13 VAL HA 2 16 GLN H 3.310 . 4.830 3.684 3.370 3.902 . 0 0 "[ . 1 . ]" 10
42 2 14 PHE HA 2 16 GLN H 3.640 . 5.480 3.860 3.685 4.022 . 0 0 "[ . 1 . ]" 10
43 2 14 PHE H 2 16 GLN H 3.600 . 5.410 3.942 3.787 4.103 . 0 0 "[ . 1 . ]" 10
44 2 16 GLN H 2 18 SER H 3.630 . 5.460 4.136 3.829 4.443 . 0 0 "[ . 1 . ]" 10
45 1 13 VAL QG 1 17 TYR H 3.900 . 6.000 4.348 4.116 4.464 . 0 0 "[ . 1 . ]" 10
46 1 14 PHE HA 1 17 TYR H 3.250 . 4.700 3.479 3.291 3.734 . 0 0 "[ . 1 . ]" 10
47 1 14 PHE H 1 17 TYR H 3.400 . 5.000 5.015 4.830 5.088 0.088 17 0 "[ . 1 . ]" 10
48 1 15 HIS H 1 17 TYR H 3.400 . 5.000 4.303 4.112 4.533 . 0 0 "[ . 1 . ]" 10
49 2 13 VAL QG 2 17 TYR H 3.900 . 6.000 4.348 4.115 4.464 . 0 0 "[ . 1 . ]" 10
50 2 14 PHE HA 2 17 TYR H 3.250 . 4.700 3.479 3.290 3.735 . 0 0 "[ . 1 . ]" 10
51 2 14 PHE H 2 17 TYR H 3.400 . 5.000 5.016 4.830 5.087 0.087 17 0 "[ . 1 . ]" 10
52 2 15 HIS H 2 17 TYR H 3.400 . 5.000 4.303 4.113 4.532 . 0 0 "[ . 1 . ]" 10
53 1 14 PHE HA 1 18 SER H 2.880 . 3.960 3.174 2.754 3.545 . 0 0 "[ . 1 . ]" 10
54 2 14 PHE HA 2 18 SER H 2.880 . 3.960 3.175 2.755 3.546 . 0 0 "[ . 1 . ]" 10
55 1 17 TYR QB 1 19 GLY H 3.900 . 6.000 5.094 4.454 5.396 . 0 0 "[ . 1 . ]" 10
56 1 19 GLY H 1 24 LYS HA 3.170 . 4.540 3.442 2.579 4.624 0.084 7 0 "[ . 1 . ]" 10
57 2 17 TYR QB 2 19 GLY H 3.900 . 6.000 5.094 4.453 5.397 . 0 0 "[ . 1 . ]" 10
58 2 19 GLY H 2 24 LYS HA 3.170 . 4.540 3.441 2.581 4.624 0.084 7 0 "[ . 1 . ]" 10
59 1 27 LEU HA 1 31 GLU H 3.300 . 4.800 4.805 4.624 4.867 0.067 4 0 "[ . 1 . ]" 10
60 1 28 LYS QE 1 31 GLU H 3.900 . 6.000 4.029 3.030 5.193 . 0 0 "[ . 1 . ]" 10
61 1 28 LYS H 1 31 GLU H 3.250 . 4.700 3.047 2.861 3.160 . 0 0 "[ . 1 . ]" 10
62 1 29 LYS H 1 31 GLU H 3.480 . 5.160 4.454 4.171 4.908 . 0 0 "[ . 1 . ]" 10
63 2 27 LEU HA 2 31 GLU H 3.300 . 4.800 4.805 4.625 4.866 0.066 4 0 "[ . 1 . ]" 10
64 2 28 LYS QE 2 31 GLU H 3.900 . 6.000 4.028 3.031 5.192 . 0 0 "[ . 1 . ]" 10
65 2 28 LYS H 2 31 GLU H 3.250 . 4.700 3.047 2.861 3.161 . 0 0 "[ . 1 . ]" 10
66 2 29 LYS H 2 31 GLU H 3.480 . 5.160 4.455 4.171 4.907 . 0 0 "[ . 1 . ]" 10
67 1 27 LEU QD 1 32 LEU H 3.770 . 5.740 3.451 2.936 4.104 . 0 0 "[ . 1 . ]" 10
68 1 32 LEU H 1 34 GLU H 3.380 . 4.960 4.372 4.037 4.864 . 0 0 "[ . 1 . ]" 10
69 2 27 LEU QD 2 32 LEU H 3.770 . 5.740 3.450 2.936 4.104 . 0 0 "[ . 1 . ]" 10
70 2 32 LEU H 2 34 GLU H 3.380 . 4.960 4.372 4.037 4.863 . 0 0 "[ . 1 . ]" 10
71 1 31 GLU HA 1 34 GLU H 3.330 . 4.860 3.905 3.552 4.726 . 0 0 "[ . 1 . ]" 10
72 1 31 GLU H 1 34 GLU H 3.600 . 5.410 4.737 4.322 5.102 . 0 0 "[ . 1 . ]" 10
73 2 31 GLU HA 2 34 GLU H 3.330 . 4.860 3.905 3.553 4.726 . 0 0 "[ . 1 . ]" 10
74 2 31 GLU H 2 34 GLU H 3.600 . 5.410 4.737 4.320 5.101 . 0 0 "[ . 1 . ]" 10
75 1 32 LEU HA 1 35 LEU H 3.020 . 4.240 3.817 3.626 4.010 . 0 0 "[ . 1 . ]" 10
76 2 32 LEU HA 2 35 LEU H 3.020 . 4.240 3.817 3.626 4.010 . 0 0 "[ . 1 . ]" 10
77 1 33 LYS HA 1 36 ILE H 3.150 . 4.500 3.562 3.189 3.880 . 0 0 "[ . 1 . ]" 10
78 1 36 ILE H 1 39 GLU H 3.160 . 4.520 4.569 4.534 4.632 0.112 5 0 "[ . 1 . ]" 10
79 2 33 LYS HA 2 36 ILE H 3.150 . 4.500 3.563 3.189 3.879 . 0 0 "[ . 1 . ]" 10
80 2 36 ILE H 2 39 GLU H 3.160 . 4.520 4.569 4.533 4.632 0.112 5 0 "[ . 1 . ]" 10
81 1 33 LYS HA 1 37 ASN H 3.500 . 5.200 4.458 4.007 4.780 . 0 0 "[ . 1 . ]" 10
82 1 34 GLU HA 1 37 ASN H 3.360 . 4.920 3.679 3.518 4.024 . 0 0 "[ . 1 . ]" 10
83 1 37 ASN H 1 40 LEU QD 3.900 . 6.000 4.378 4.001 4.507 . 0 0 "[ . 1 . ]" 10
84 2 33 LYS HA 2 37 ASN H 3.500 . 5.200 4.458 4.006 4.780 . 0 0 "[ . 1 . ]" 10
85 2 34 GLU HA 2 37 ASN H 3.360 . 4.920 3.679 3.518 4.022 . 0 0 "[ . 1 . ]" 10
86 2 37 ASN H 2 40 LEU QD 3.900 . 6.000 4.377 4.001 4.507 . 0 0 "[ . 1 . ]" 10
87 1 34 GLU HA 1 38 ASN H 3.090 . 4.380 4.233 4.038 4.403 0.023 16 0 "[ . 1 . ]" 10
88 1 35 LEU HA 1 38 ASN H 2.940 . 4.080 3.143 2.882 3.457 . 0 0 "[ . 1 . ]" 10
89 1 38 ASN H 1 40 LEU H 3.120 . 4.440 4.106 3.552 4.465 0.025 8 0 "[ . 1 . ]" 10
90 2 34 GLU HA 2 38 ASN H 3.090 . 4.380 4.233 4.038 4.405 0.025 16 0 "[ . 1 . ]" 10
91 2 35 LEU HA 2 38 ASN H 2.940 . 4.080 3.144 2.883 3.456 . 0 0 "[ . 1 . ]" 10
92 2 38 ASN H 2 40 LEU H 3.120 . 4.440 4.106 3.551 4.466 0.026 8 0 "[ . 1 . ]" 10
93 1 37 ASN HA 1 40 LEU H 2.900 . 4.000 3.972 3.542 4.056 0.056 5 0 "[ . 1 . ]" 10
94 2 37 ASN HA 2 40 LEU H 2.900 . 4.000 3.972 3.544 4.055 0.055 5 0 "[ . 1 . ]" 10
95 1 48 LYS H 1 52 VAL HB 3.060 . 4.330 4.296 3.791 4.455 0.125 8 0 "[ . 1 . ]" 10
96 1 48 LYS H 1 53 VAL QG 3.900 . 6.000 4.085 2.924 4.441 . 0 0 "[ . 1 . ]" 10
97 2 48 LYS H 2 52 VAL HB 3.060 . 4.330 4.296 3.791 4.456 0.126 8 0 "[ . 1 . ]" 10
98 2 48 LYS H 2 53 VAL QG 3.900 . 6.000 4.086 2.924 4.442 . 0 0 "[ . 1 . ]" 10
99 1 47 ILE HA 1 49 GLU H 3.510 . 5.220 3.955 3.000 5.231 0.011 15 0 "[ . 1 . ]" 10
100 1 47 ILE MG 1 49 GLU H 3.780 . 5.760 3.665 2.224 4.612 . 0 0 "[ . 1 . ]" 10
101 1 49 GLU H 1 52 VAL QG 3.900 . 6.000 1.815 1.732 1.945 0.068 13 0 "[ . 1 . ]" 10
102 1 49 GLU H 1 53 VAL H 3.510 . 5.220 4.123 3.773 4.893 . 0 0 "[ . 1 . ]" 10
103 2 47 ILE HA 2 49 GLU H 3.510 . 5.220 3.955 2.999 5.231 0.011 15 0 "[ . 1 . ]" 10
104 2 47 ILE MG 2 49 GLU H 3.780 . 5.760 3.665 2.225 4.613 . 0 0 "[ . 1 . ]" 10
105 2 49 GLU H 2 52 VAL QG 3.900 . 6.000 1.815 1.732 1.945 0.068 13 0 "[ . 1 . ]" 10
106 2 49 GLU H 2 53 VAL H 3.510 . 5.220 4.123 3.774 4.894 . 0 0 "[ . 1 . ]" 10
107 1 50 GLN HA 1 52 VAL H 3.130 . 4.460 4.459 4.401 4.492 0.032 17 0 "[ . 1 . ]" 10
108 1 52 VAL H 1 54 ASP H 3.530 . 5.260 4.464 4.085 4.880 . 0 0 "[ . 1 . ]" 10
109 2 50 GLN HA 2 52 VAL H 3.130 . 4.460 4.459 4.400 4.492 0.032 17 0 "[ . 1 . ]" 10
110 2 52 VAL H 2 54 ASP H 3.530 . 5.260 4.464 4.085 4.881 . 0 0 "[ . 1 . ]" 10
111 1 50 GLN HA 1 53 VAL H 3.050 . 4.300 3.622 3.443 3.777 . 0 0 "[ . 1 . ]" 10
112 1 51 GLU HA 1 53 VAL H 3.140 . 4.480 4.450 4.296 4.505 0.025 13 0 "[ . 1 . ]" 10
113 1 53 VAL H 1 56 VAL QG 3.190 . 4.580 3.415 3.328 3.483 . 0 0 "[ . 1 . ]" 10
114 2 50 GLN HA 2 53 VAL H 3.050 . 4.300 3.623 3.444 3.777 . 0 0 "[ . 1 . ]" 10
115 2 51 GLU HA 2 53 VAL H 3.140 . 4.480 4.450 4.295 4.505 0.025 13 0 "[ . 1 . ]" 10
116 2 53 VAL H 2 56 VAL QG 3.190 . 4.580 3.415 3.328 3.484 . 0 0 "[ . 1 . ]" 10
117 1 51 GLU HA 1 54 ASP H 3.370 . 4.940 3.739 3.461 4.026 . 0 0 "[ . 1 . ]" 10
118 1 51 GLU H 1 54 ASP H 3.690 . 5.580 5.089 4.582 5.357 . 0 0 "[ . 1 . ]" 10
119 1 52 VAL HA 1 54 ASP H 3.900 . 6.000 4.628 3.893 5.138 . 0 0 "[ . 1 . ]" 10
120 2 51 GLU HA 2 54 ASP H 3.370 . 4.940 3.739 3.461 4.026 . 0 0 "[ . 1 . ]" 10
121 2 51 GLU H 2 54 ASP H 3.690 . 5.580 5.088 4.583 5.356 . 0 0 "[ . 1 . ]" 10
122 2 52 VAL HA 2 54 ASP H 3.900 . 6.000 4.628 3.893 5.138 . 0 0 "[ . 1 . ]" 10
123 1 52 VAL HA 1 55 LYS H 3.180 . 4.560 3.506 3.249 3.703 . 0 0 "[ . 1 . ]" 10
124 1 52 VAL H 1 55 LYS H 3.780 . 5.760 4.966 4.771 5.192 . 0 0 "[ . 1 . ]" 10
125 1 53 VAL H 1 55 LYS H 3.880 . 5.960 4.131 3.920 4.608 . 0 0 "[ . 1 . ]" 10
126 1 55 LYS H 1 58 GLU QB 3.280 . 4.760 4.282 4.264 4.307 . 0 0 "[ . 1 . ]" 10
127 2 52 VAL HA 2 55 LYS H 3.180 . 4.560 3.505 3.247 3.702 . 0 0 "[ . 1 . ]" 10
128 2 52 VAL H 2 55 LYS H 3.780 . 5.760 4.965 4.771 5.190 . 0 0 "[ . 1 . ]" 10
129 2 53 VAL H 2 55 LYS H 3.880 . 5.960 4.131 3.920 4.608 . 0 0 "[ . 1 . ]" 10
130 2 55 LYS H 2 58 GLU QB 3.280 . 4.760 4.282 4.264 4.307 . 0 0 "[ . 1 . ]" 10
131 1 52 VAL HA 1 56 VAL H 3.730 . 5.670 4.008 3.627 4.175 . 0 0 "[ . 1 . ]" 10
132 1 53 VAL HA 1 56 VAL H 3.330 . 4.860 3.058 2.693 3.549 . 0 0 "[ . 1 . ]" 10
133 1 53 VAL QG 1 56 VAL H 3.900 . 6.000 4.046 3.794 4.459 . 0 0 "[ . 1 . ]" 10
134 2 52 VAL HA 2 56 VAL H 3.730 . 5.670 4.008 3.627 4.175 . 0 0 "[ . 1 . ]" 10
135 2 53 VAL HA 2 56 VAL H 3.330 . 4.860 3.058 2.692 3.550 . 0 0 "[ . 1 . ]" 10
136 2 53 VAL QG 2 56 VAL H 3.900 . 6.000 4.046 3.794 4.460 . 0 0 "[ . 1 . ]" 10
137 1 53 VAL HA 1 57 MET H 3.350 . 4.910 3.618 3.291 3.896 . 0 0 "[ . 1 . ]" 10
138 1 53 VAL QG 1 57 MET H 3.190 . 4.580 3.414 3.298 3.461 . 0 0 "[ . 1 . ]" 10
139 1 54 ASP HA 1 57 MET H 2.770 . 3.750 3.797 3.773 3.821 0.071 8 0 "[ . 1 . ]" 10
140 2 53 VAL HA 2 57 MET H 3.350 . 4.910 3.618 3.291 3.896 . 0 0 "[ . 1 . ]" 10
141 2 53 VAL QG 2 57 MET H 3.190 . 4.580 3.414 3.298 3.461 . 0 0 "[ . 1 . ]" 10
142 2 54 ASP HA 2 57 MET H 2.770 . 3.750 3.797 3.773 3.821 0.071 8 0 "[ . 1 . ]" 10
143 1 55 LYS HA 1 58 GLU H 3.140 . 4.480 3.354 3.176 3.544 . 0 0 "[ . 1 . ]" 10
144 2 55 LYS HA 2 58 GLU H 3.140 . 4.480 3.354 3.176 3.545 . 0 0 "[ . 1 . ]" 10
145 1 55 LYS QG 1 59 THR H 3.790 . 5.780 4.390 4.192 4.830 . 0 0 "[ . 1 . ]" 10
146 1 56 VAL HA 1 59 THR H 3.500 . 5.200 3.208 2.979 3.379 . 0 0 "[ . 1 . ]" 10
147 1 56 VAL QG 1 59 THR H 3.900 . 6.000 4.090 3.916 4.233 . 0 0 "[ . 1 . ]" 10
148 1 59 THR H 1 61 ASP QB 3.730 . 5.660 4.802 4.578 5.057 . 0 0 "[ . 1 . ]" 10
149 2 55 LYS QG 2 59 THR H 3.790 . 5.780 4.390 4.192 4.829 . 0 0 "[ . 1 . ]" 10
150 2 56 VAL HA 2 59 THR H 3.500 . 5.200 3.208 2.979 3.380 . 0 0 "[ . 1 . ]" 10
151 2 56 VAL QG 2 59 THR H 3.900 . 6.000 4.090 3.915 4.233 . 0 0 "[ . 1 . ]" 10
152 2 59 THR H 2 61 ASP QB 3.730 . 5.660 4.802 4.577 5.057 . 0 0 "[ . 1 . ]" 10
153 1 56 VAL HA 1 60 LEU H 3.430 . 5.060 4.551 4.161 4.939 . 0 0 "[ . 1 . ]" 10
154 1 57 MET HA 1 60 LEU H 3.190 . 4.580 3.511 3.117 3.767 . 0 0 "[ . 1 . ]" 10
155 1 57 MET H 1 60 LEU H 3.500 . 5.200 4.936 4.441 5.201 0.001 1 0 "[ . 1 . ]" 10
156 2 56 VAL HA 2 60 LEU H 3.430 . 5.060 4.551 4.162 4.939 . 0 0 "[ . 1 . ]" 10
157 2 57 MET HA 2 60 LEU H 3.190 . 4.580 3.511 3.117 3.765 . 0 0 "[ . 1 . ]" 10
158 2 57 MET H 2 60 LEU H 3.500 . 5.200 4.936 4.442 5.202 0.002 1 0 "[ . 1 . ]" 10
159 1 58 GLU HA 1 61 ASP H 2.880 . 3.960 3.223 2.862 3.673 . 0 0 "[ . 1 . ]" 10
160 2 58 GLU HA 2 61 ASP H 2.880 . 3.960 3.223 2.862 3.673 . 0 0 "[ . 1 . ]" 10
161 1 62 ASN H 1 64 GLY H 3.340 . 4.880 3.489 3.036 4.915 0.035 1 0 "[ . 1 . ]" 10
162 2 62 ASN H 2 64 GLY H 3.340 . 4.880 3.489 3.037 4.914 0.034 1 0 "[ . 1 . ]" 10
163 1 61 ASP HA 1 63 ASP H 2.980 . 4.160 3.895 3.246 4.181 0.021 8 0 "[ . 1 . ]" 10
164 1 63 ASP H 1 66 GLY H 3.780 . 5.760 5.232 4.325 5.674 . 0 0 "[ . 1 . ]" 10
165 2 61 ASP HA 2 63 ASP H 2.980 . 4.160 3.894 3.246 4.180 0.020 8 0 "[ . 1 . ]" 10
166 2 63 ASP H 2 66 GLY H 3.780 . 5.760 5.232 4.326 5.673 . 0 0 "[ . 1 . ]" 10
167 1 64 GLY H 1 66 GLY QA 3.750 . 5.700 5.024 4.283 5.120 . 0 0 "[ . 1 . ]" 10
168 1 64 GLY H 1 66 GLY H 3.630 . 5.460 3.304 2.636 3.609 . 0 0 "[ . 1 . ]" 10
169 2 64 GLY H 2 66 GLY QA 3.750 . 5.700 5.024 4.284 5.119 . 0 0 "[ . 1 . ]" 10
170 2 64 GLY H 2 66 GLY H 3.630 . 5.460 3.305 2.637 3.609 . 0 0 "[ . 1 . ]" 10
171 1 62 ASN H 1 65 ASP H 3.570 . 5.340 5.298 4.276 5.384 0.044 12 0 "[ . 1 . ]" 10
172 1 63 ASP HA 1 65 ASP H 3.160 . 4.520 3.682 3.155 4.568 0.048 1 0 "[ . 1 . ]" 10
173 2 62 ASN H 2 65 ASP H 3.570 . 5.340 5.298 4.274 5.383 0.043 12 0 "[ . 1 . ]" 10
174 2 63 ASP HA 2 65 ASP H 3.160 . 4.520 3.682 3.157 4.568 0.048 1 0 "[ . 1 . ]" 10
175 1 63 ASP HA 1 66 GLY H 3.820 . 5.840 5.138 3.472 5.999 0.159 1 0 "[ . 1 . ]" 10
176 1 64 GLY QA 1 66 GLY H 3.450 . 5.100 3.644 3.207 4.372 . 0 0 "[ . 1 . ]" 10
177 2 63 ASP HA 2 66 GLY H 3.820 . 5.840 5.138 3.473 5.999 0.159 1 0 "[ . 1 . ]" 10
178 2 64 GLY QA 2 66 GLY H 3.450 . 5.100 3.644 3.208 4.373 . 0 0 "[ . 1 . ]" 10
179 1 64 GLY QA 1 67 GLU H 3.600 . 5.410 3.572 2.687 4.860 . 0 0 "[ . 1 . ]" 10
180 1 64 GLY H 1 67 GLU H 3.420 . 5.040 4.363 3.586 5.063 0.023 12 0 "[ . 1 . ]" 10
181 1 65 ASP HA 1 67 GLU H 3.250 . 4.710 4.563 4.276 4.731 0.021 3 0 "[ . 1 . ]" 10
182 1 65 ASP H 1 67 GLU H 3.060 . 4.320 3.731 2.675 4.362 0.042 1 0 "[ . 1 . ]" 10
183 2 64 GLY QA 2 67 GLU H 3.600 . 5.410 3.572 2.686 4.860 . 0 0 "[ . 1 . ]" 10
184 2 64 GLY H 2 67 GLU H 3.420 . 5.040 4.363 3.586 5.063 0.023 12 0 "[ . 1 . ]" 10
185 2 65 ASP HA 2 67 GLU H 3.250 . 4.710 4.563 4.276 4.731 0.021 3 0 "[ . 1 . ]" 10
186 2 65 ASP H 2 67 GLU H 3.060 . 4.320 3.731 2.675 4.360 0.040 1 0 "[ . 1 . ]" 10
187 1 69 ASP H 1 71 GLN QG 3.230 . 4.660 3.741 2.997 4.183 . 0 0 "[ . 1 . ]" 10
188 1 69 ASP H 1 72 GLU QB 2.810 . 3.830 3.152 2.562 3.446 . 0 0 "[ . 1 . ]" 10
189 1 69 ASP H 1 72 GLU QG 2.710 . 3.620 2.073 1.731 3.234 0.069 8 0 "[ . 1 . ]" 10
190 2 69 ASP H 2 71 GLN QG 3.230 . 4.660 3.741 2.996 4.182 . 0 0 "[ . 1 . ]" 10
191 2 69 ASP H 2 72 GLU QB 2.810 . 3.830 3.152 2.563 3.445 . 0 0 "[ . 1 . ]" 10
192 2 69 ASP H 2 72 GLU QG 2.710 . 3.620 2.073 1.731 3.233 0.069 8 0 "[ . 1 . ]" 10
193 1 68 CYS HA 1 72 GLU H 3.230 . 4.660 4.545 4.205 4.692 0.032 11 0 "[ . 1 . ]" 10
194 1 69 ASP H 1 72 GLU H 3.350 . 4.910 3.430 3.150 3.716 . 0 0 "[ . 1 . ]" 10
195 1 70 PHE HA 1 72 GLU H 2.950 . 4.100 4.100 3.963 4.169 0.069 4 0 "[ . 1 . ]" 10
196 2 68 CYS HA 2 72 GLU H 3.230 . 4.660 4.545 4.204 4.692 0.032 11 0 "[ . 1 . ]" 10
197 2 69 ASP H 2 72 GLU H 3.350 . 4.910 3.430 3.149 3.716 . 0 0 "[ . 1 . ]" 10
198 2 70 PHE HA 2 72 GLU H 2.950 . 4.100 4.100 3.963 4.168 0.068 4 0 "[ . 1 . ]" 10
199 1 69 ASP H 1 73 PHE H 3.500 . 5.210 4.832 4.249 5.242 0.032 11 0 "[ . 1 . ]" 10
200 1 70 PHE HA 1 73 PHE H 3.060 . 4.330 3.291 3.073 3.660 . 0 0 "[ . 1 . ]" 10
201 2 69 ASP H 2 73 PHE H 3.500 . 5.210 4.832 4.251 5.243 0.033 11 0 "[ . 1 . ]" 10
202 2 70 PHE HA 2 73 PHE H 3.060 . 4.330 3.291 3.074 3.658 . 0 0 "[ . 1 . ]" 10
203 1 71 GLN HA 1 74 MET H 3.520 . 5.240 3.786 3.345 4.064 . 0 0 "[ . 1 . ]" 10
204 2 71 GLN HA 2 74 MET H 3.520 . 5.240 3.786 3.345 4.066 . 0 0 "[ . 1 . ]" 10
205 1 71 GLN HA 1 75 ALA H 3.730 . 5.660 4.423 3.859 4.765 . 0 0 "[ . 1 . ]" 10
206 1 72 GLU H 1 75 ALA H 3.870 . 5.940 4.953 4.438 5.182 . 0 0 "[ . 1 . ]" 10
207 1 73 PHE HA 1 75 ALA H 3.610 . 5.420 4.686 4.112 5.201 . 0 0 "[ . 1 . ]" 10
208 1 75 ALA H 1 77 VAL H 3.480 . 5.160 5.017 4.771 5.174 0.014 17 0 "[ . 1 . ]" 10
209 1 75 ALA H 1 79 MET QG 3.900 . 6.000 5.323 5.072 5.426 . 0 0 "[ . 1 . ]" 10
210 2 71 GLN HA 2 75 ALA H 3.730 . 5.660 4.423 3.860 4.765 . 0 0 "[ . 1 . ]" 10
211 2 72 GLU H 2 75 ALA H 3.870 . 5.940 4.953 4.440 5.181 . 0 0 "[ . 1 . ]" 10
212 2 73 PHE HA 2 75 ALA H 3.610 . 5.420 4.686 4.113 5.201 . 0 0 "[ . 1 . ]" 10
213 2 75 ALA H 2 77 VAL H 3.480 . 5.160 5.017 4.773 5.174 0.014 17 0 "[ . 1 . ]" 10
214 2 75 ALA H 2 79 MET QG 3.900 . 6.000 5.323 5.074 5.426 . 0 0 "[ . 1 . ]" 10
215 1 72 GLU HA 1 76 PHE H 3.210 . 4.620 4.121 3.651 4.625 0.005 11 0 "[ . 1 . ]" 10
216 2 72 GLU HA 2 76 PHE H 3.210 . 4.620 4.121 3.652 4.625 0.005 11 0 "[ . 1 . ]" 10
217 1 73 PHE HA 1 77 VAL H 2.830 . 3.870 3.900 3.863 3.932 0.062 3 0 "[ . 1 . ]" 10
218 2 73 PHE HA 2 77 VAL H 2.830 . 3.870 3.900 3.863 3.932 0.062 3 0 "[ . 1 . ]" 10
219 1 75 ALA HA 1 78 ALA H 3.020 . 4.250 3.820 3.587 4.124 . 0 0 "[ . 1 . ]" 10
220 1 76 PHE QB 1 78 ALA H 3.150 . 4.500 4.080 4.041 4.106 . 0 0 "[ . 1 . ]" 10
221 2 75 ALA HA 2 78 ALA H 3.020 . 4.250 3.820 3.588 4.125 . 0 0 "[ . 1 . ]" 10
222 2 76 PHE QB 2 78 ALA H 3.150 . 4.500 4.079 4.039 4.106 . 0 0 "[ . 1 . ]" 10
223 1 76 PHE HA 1 79 MET H 3.280 . 4.760 3.537 3.156 4.046 . 0 0 "[ . 1 . ]" 10
224 2 76 PHE HA 2 79 MET H 3.280 . 4.760 3.537 3.155 4.046 . 0 0 "[ . 1 . ]" 10
225 1 77 VAL HA 1 80 VAL H 3.130 . 4.460 4.155 3.955 4.461 0.001 6 0 "[ . 1 . ]" 10
226 2 77 VAL HA 2 80 VAL H 3.130 . 4.460 4.155 3.956 4.463 0.003 6 0 "[ . 1 . ]" 10
227 1 77 VAL HA 1 81 THR H 3.300 . 4.800 3.759 3.312 4.194 . 0 0 "[ . 1 . ]" 10
228 1 78 ALA HA 1 81 THR H 3.340 . 4.880 3.893 3.583 4.420 . 0 0 "[ . 1 . ]" 10
229 1 79 MET HA 1 81 THR H 3.330 . 4.870 4.461 4.030 4.877 0.007 17 0 "[ . 1 . ]" 10
230 2 77 VAL HA 2 81 THR H 3.300 . 4.800 3.759 3.312 4.196 . 0 0 "[ . 1 . ]" 10
231 2 78 ALA HA 2 81 THR H 3.340 . 4.880 3.893 3.587 4.420 . 0 0 "[ . 1 . ]" 10
232 2 79 MET HA 2 81 THR H 3.330 . 4.870 4.460 4.030 4.876 0.006 17 0 "[ . 1 . ]" 10
233 1 80 VAL HA 1 83 ALA H 3.500 . 5.200 3.964 3.722 4.192 . 0 0 "[ . 1 . ]" 10
234 1 80 VAL H 1 83 ALA H 3.820 . 5.840 5.045 4.811 5.321 . 0 0 "[ . 1 . ]" 10
235 1 83 ALA H 1 85 HIS H 3.140 . 4.480 4.134 3.958 4.451 . 0 0 "[ . 1 . ]" 10
236 2 80 VAL HA 2 83 ALA H 3.500 . 5.200 3.964 3.722 4.192 . 0 0 "[ . 1 . ]" 10
237 2 80 VAL H 2 83 ALA H 3.820 . 5.840 5.045 4.814 5.320 . 0 0 "[ . 1 . ]" 10
238 2 83 ALA H 2 85 HIS H 3.140 . 4.480 4.134 3.958 4.450 . 0 0 "[ . 1 . ]" 10
239 1 81 THR HA 1 84 CYS H 3.420 . 5.040 3.930 3.744 4.148 . 0 0 "[ . 1 . ]" 10
240 1 82 THR HA 1 84 CYS H 3.610 . 5.420 5.440 5.284 5.498 0.078 3 0 "[ . 1 . ]" 10
241 2 81 THR HA 2 84 CYS H 3.420 . 5.040 3.930 3.743 4.149 . 0 0 "[ . 1 . ]" 10
242 2 82 THR HA 2 84 CYS H 3.610 . 5.420 5.439 5.283 5.496 0.076 3 0 "[ . 1 . ]" 10
243 1 85 HIS HA 1 88 PHE H 3.000 . 4.200 4.057 3.390 4.312 0.112 6 0 "[ . 1 . ]" 10
244 2 85 HIS HA 2 88 PHE H 3.000 . 4.200 4.057 3.390 4.311 0.111 6 0 "[ . 1 . ]" 10
245 1 86 GLU HA 1 89 GLU H 3.270 . 4.740 4.841 4.796 4.914 0.174 7 0 "[ . 1 . ]" 10
246 2 86 GLU HA 2 89 GLU H 3.270 . 4.740 4.840 4.795 4.914 0.174 7 0 "[ . 1 . ]" 10
stop_
save_
save_distance_constraint_statistics_11
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 11
_Distance_constraint_stats_list.Constraint_count 402
_Distance_constraint_stats_list.Viol_count 276
_Distance_constraint_stats_list.Viol_total 224.313
_Distance_constraint_stats_list.Viol_max 0.146
_Distance_constraint_stats_list.Viol_rms 0.0115
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0019
_Distance_constraint_stats_list.Viol_average_violations_only 0.0478
_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 SER 0.067 0.023 1 0 "[ . 1 . ]"
1 2 GLU 0.773 0.071 12 0 "[ . 1 . ]"
1 3 LEU 0.706 0.071 12 0 "[ . 1 . ]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 5 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 6 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 7 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 8 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 9 ALA 0.225 0.033 10 0 "[ . 1 . ]"
1 10 LEU 0.240 0.033 10 0 "[ . 1 . ]"
1 11 ILE 0.015 0.012 3 0 "[ . 1 . ]"
1 12 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 14 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 15 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 16 GLN 0.678 0.076 8 0 "[ . 1 . ]"
1 17 TYR 0.678 0.076 8 0 "[ . 1 . ]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 20 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 25 HIS 0.014 0.014 4 0 "[ . 1 . ]"
1 26 LYS 0.014 0.014 4 0 "[ . 1 . ]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 30 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 31 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 35 LEU 1.795 0.145 16 0 "[ . 1 . ]"
1 36 ILE 1.795 0.145 16 0 "[ . 1 . ]"
1 37 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 38 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 39 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 40 LEU 0.036 0.036 4 0 "[ . 1 . ]"
1 41 SER 0.036 0.036 4 0 "[ . 1 . ]"
1 42 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 43 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 46 GLU 0.335 0.140 13 0 "[ . 1 . ]"
1 47 ILE 0.715 0.140 13 0 "[ . 1 . ]"
1 48 LYS 0.498 0.118 1 0 "[ . 1 . ]"
1 49 GLU 0.118 0.118 1 0 "[ . 1 . ]"
1 50 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 52 VAL 0.049 0.021 14 0 "[ . 1 . ]"
1 53 VAL 0.049 0.021 14 0 "[ . 1 . ]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 56 VAL 0.036 0.036 14 0 "[ . 1 . ]"
1 57 MET 0.036 0.036 14 0 "[ . 1 . ]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 59 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 61 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 62 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 63 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 66 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 67 GLU 0.088 0.030 17 0 "[ . 1 . ]"
1 68 CYS 0.088 0.030 17 0 "[ . 1 . ]"
1 69 ASP 0.633 0.080 14 0 "[ . 1 . ]"
1 70 PHE 0.633 0.080 14 0 "[ . 1 . ]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 73 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 74 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 76 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 77 VAL 0.589 0.072 8 0 "[ . 1 . ]"
1 78 ALA 0.589 0.072 8 0 "[ . 1 . ]"
1 79 MET 0.645 0.069 12 0 "[ . 1 . ]"
1 80 VAL 0.645 0.069 12 0 "[ . 1 . ]"
1 81 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 82 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 84 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 85 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 86 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 87 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 88 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 89 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 90 HIS 0.192 0.105 17 0 "[ . 1 . ]"
1 91 GLU 0.192 0.105 17 0 "[ . 1 . ]"
2 1 SER 0.068 0.024 1 0 "[ . 1 . ]"
2 2 GLU 0.773 0.071 12 0 "[ . 1 . ]"
2 3 LEU 0.705 0.071 12 0 "[ . 1 . ]"
2 4 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 5 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 6 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 7 MET 0.000 0.000 . 0 "[ . 1 . ]"
2 8 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 9 ALA 0.227 0.032 10 0 "[ . 1 . ]"
2 10 LEU 0.241 0.032 10 0 "[ . 1 . ]"
2 11 ILE 0.014 0.012 3 0 "[ . 1 . ]"
2 12 ASP 0.000 0.000 . 0 "[ . 1 . ]"
2 13 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 14 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 15 HIS 0.000 0.000 . 0 "[ . 1 . ]"
2 16 GLN 0.679 0.076 8 0 "[ . 1 . ]"
2 17 TYR 0.679 0.076 8 0 "[ . 1 . ]"
2 18 SER 0.000 0.000 . 0 "[ . 1 . ]"
2 19 GLY 0.000 0.000 . 0 "[ . 1 . ]"
2 20 ARG 0.000 0.000 . 0 "[ . 1 . ]"
2 21 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 25 HIS 0.014 0.014 4 0 "[ . 1 . ]"
2 26 LYS 0.014 0.014 4 0 "[ . 1 . ]"
2 27 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 28 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 30 SER 0.000 0.000 . 0 "[ . 1 . ]"
2 31 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 32 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 33 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 34 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 35 LEU 1.789 0.146 16 0 "[ . 1 . ]"
2 36 ILE 1.789 0.146 16 0 "[ . 1 . ]"
2 37 ASN 0.000 0.000 . 0 "[ . 1 . ]"
2 38 ASN 0.000 0.000 . 0 "[ . 1 . ]"
2 39 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 40 LEU 0.036 0.036 4 0 "[ . 1 . ]"
2 41 SER 0.036 0.036 4 0 "[ . 1 . ]"
2 42 HIS 0.000 0.000 . 0 "[ . 1 . ]"
2 43 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 45 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 46 GLU 0.335 0.141 13 0 "[ . 1 . ]"
2 47 ILE 0.715 0.141 13 0 "[ . 1 . ]"
2 48 LYS 0.498 0.118 1 0 "[ . 1 . ]"
2 49 GLU 0.118 0.118 1 0 "[ . 1 . ]"
2 50 GLN 0.000 0.000 . 0 "[ . 1 . ]"
2 51 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 52 VAL 0.050 0.020 14 0 "[ . 1 . ]"
2 53 VAL 0.050 0.020 14 0 "[ . 1 . ]"
2 54 ASP 0.000 0.000 . 0 "[ . 1 . ]"
2 55 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 56 VAL 0.035 0.035 14 0 "[ . 1 . ]"
2 57 MET 0.035 0.035 14 0 "[ . 1 . ]"
2 58 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 59 THR 0.000 0.000 . 0 "[ . 1 . ]"
2 60 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 61 ASP 0.000 0.000 . 0 "[ . 1 . ]"
2 62 ASN 0.000 0.000 . 0 "[ . 1 . ]"
2 63 ASP 0.000 0.000 . 0 "[ . 1 . ]"
2 64 GLY 0.000 0.000 . 0 "[ . 1 . ]"
2 65 ASP 0.000 0.000 . 0 "[ . 1 . ]"
2 66 GLY 0.000 0.000 . 0 "[ . 1 . ]"
2 67 GLU 0.088 0.030 17 0 "[ . 1 . ]"
2 68 CYS 0.088 0.030 17 0 "[ . 1 . ]"
2 69 ASP 0.635 0.080 14 0 "[ . 1 . ]"
2 70 PHE 0.635 0.080 14 0 "[ . 1 . ]"
2 71 GLN 0.000 0.000 . 0 "[ . 1 . ]"
2 72 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 73 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 74 MET 0.000 0.000 . 0 "[ . 1 . ]"
2 75 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 76 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 77 VAL 0.590 0.071 8 0 "[ . 1 . ]"
2 78 ALA 0.590 0.071 8 0 "[ . 1 . ]"
2 79 MET 0.638 0.068 12 0 "[ . 1 . ]"
2 80 VAL 0.638 0.068 12 0 "[ . 1 . ]"
2 81 THR 0.000 0.000 . 0 "[ . 1 . ]"
2 82 THR 0.000 0.000 . 0 "[ . 1 . ]"
2 83 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 84 CYS 0.000 0.000 . 0 "[ . 1 . ]"
2 85 HIS 0.000 0.000 . 0 "[ . 1 . ]"
2 86 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 87 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 88 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 89 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 90 HIS 0.193 0.107 17 0 "[ . 1 . ]"
2 91 GLU 0.193 0.107 17 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 SER HA 1 2 GLU H 2.600 . 3.400 2.806 2.203 3.423 0.023 1 0 "[ . 1 . ]" 11
2 1 1 SER QB 1 2 GLU H 3.410 . 5.020 3.794 3.056 4.028 . 0 0 "[ . 1 . ]" 11
3 1 2 GLU H 1 3 LEU H 3.070 . 4.340 2.656 2.558 2.723 . 0 0 "[ . 1 . ]" 11
4 2 1 SER HA 2 2 GLU H 2.600 . 3.400 2.805 2.203 3.424 0.024 1 0 "[ . 1 . ]" 11
5 2 1 SER QB 2 2 GLU H 3.410 . 5.020 3.793 3.056 4.025 . 0 0 "[ . 1 . ]" 11
6 2 2 GLU H 2 3 LEU H 3.070 . 4.340 2.656 2.558 2.723 . 0 0 "[ . 1 . ]" 11
7 1 2 GLU HA 1 3 LEU H 2.610 . 3.420 3.460 3.394 3.491 0.071 12 0 "[ . 1 . ]" 11
8 1 2 GLU QB 1 3 LEU H 2.790 . 3.790 3.206 2.915 3.448 . 0 0 "[ . 1 . ]" 11
9 1 2 GLU QG 1 3 LEU H 3.550 . 5.300 3.377 1.953 4.605 . 0 0 "[ . 1 . ]" 11
10 1 3 LEU H 1 4 GLU H 2.890 . 3.970 2.705 2.408 2.929 . 0 0 "[ . 1 . ]" 11
11 2 2 GLU HA 2 3 LEU H 2.610 . 3.420 3.460 3.395 3.491 0.071 12 0 "[ . 1 . ]" 11
12 2 2 GLU QB 2 3 LEU H 2.790 . 3.790 3.206 2.913 3.448 . 0 0 "[ . 1 . ]" 11
13 2 2 GLU QG 2 3 LEU H 3.550 . 5.300 3.377 1.953 4.606 . 0 0 "[ . 1 . ]" 11
14 2 3 LEU H 2 4 GLU H 2.890 . 3.970 2.705 2.409 2.929 . 0 0 "[ . 1 . ]" 11
15 1 3 LEU HA 1 4 GLU H 3.130 . 4.460 3.509 3.444 3.570 . 0 0 "[ . 1 . ]" 11
16 1 3 LEU QB 1 4 GLU H 2.700 . 3.600 2.757 2.311 3.223 . 0 0 "[ . 1 . ]" 11
17 2 3 LEU HA 2 4 GLU H 3.130 . 4.460 3.509 3.444 3.569 . 0 0 "[ . 1 . ]" 11
18 2 3 LEU QB 2 4 GLU H 2.700 . 3.600 2.756 2.311 3.224 . 0 0 "[ . 1 . ]" 11
19 1 4 GLU H 1 5 LYS H 2.940 . 4.080 2.507 2.343 2.733 . 0 0 "[ . 1 . ]" 11
20 1 5 LYS H 1 6 ALA H 2.880 . 3.960 2.650 2.403 2.966 . 0 0 "[ . 1 . ]" 11
21 2 4 GLU H 2 5 LYS H 2.940 . 4.080 2.507 2.343 2.733 . 0 0 "[ . 1 . ]" 11
22 2 5 LYS H 2 6 ALA H 2.880 . 3.960 2.650 2.403 2.964 . 0 0 "[ . 1 . ]" 11
23 1 5 LYS HA 1 6 ALA H 3.080 . 4.370 3.552 3.501 3.576 . 0 0 "[ . 1 . ]" 11
24 1 5 LYS QB 1 6 ALA H 2.800 . 3.800 2.841 2.321 3.412 . 0 0 "[ . 1 . ]" 11
25 1 5 LYS QG 1 6 ALA H 3.730 . 5.660 3.234 1.848 4.386 . 0 0 "[ . 1 . ]" 11
26 1 6 ALA H 1 7 MET H 3.190 . 4.590 2.733 2.596 2.857 . 0 0 "[ . 1 . ]" 11
27 2 5 LYS HA 2 6 ALA H 3.080 . 4.370 3.551 3.501 3.575 . 0 0 "[ . 1 . ]" 11
28 2 5 LYS QB 2 6 ALA H 2.800 . 3.800 2.841 2.323 3.412 . 0 0 "[ . 1 . ]" 11
29 2 5 LYS QG 2 6 ALA H 3.730 . 5.660 3.234 1.849 4.385 . 0 0 "[ . 1 . ]" 11
30 2 6 ALA H 2 7 MET H 3.190 . 4.590 2.733 2.596 2.858 . 0 0 "[ . 1 . ]" 11
31 1 9 ALA H 1 10 LEU QD 3.810 . 5.820 4.249 3.786 4.330 . 0 0 "[ . 1 . ]" 11
32 1 9 ALA H 1 10 LEU HG 3.240 . 4.680 4.620 4.083 4.713 0.033 10 0 "[ . 1 . ]" 11
33 1 9 ALA H 1 10 LEU H 2.540 . 3.270 2.636 2.534 2.801 . 0 0 "[ . 1 . ]" 11
34 1 8 VAL HA 1 9 ALA H 3.320 . 4.840 3.456 3.412 3.497 . 0 0 "[ . 1 . ]" 11
35 1 8 VAL HB 1 9 ALA H 2.890 . 3.970 3.076 2.937 3.228 . 0 0 "[ . 1 . ]" 11
36 1 8 VAL QG 1 9 ALA H 3.790 . 5.790 3.478 3.418 3.535 . 0 0 "[ . 1 . ]" 11
37 1 8 VAL H 1 9 ALA H 2.540 . 3.270 2.541 2.446 2.613 . 0 0 "[ . 1 . ]" 11
38 2 9 ALA H 2 10 LEU QD 3.810 . 5.820 4.249 3.785 4.331 . 0 0 "[ . 1 . ]" 11
39 2 9 ALA H 2 10 LEU HG 3.240 . 4.680 4.620 4.082 4.712 0.032 10 0 "[ . 1 . ]" 11
40 2 9 ALA H 2 10 LEU H 2.540 . 3.270 2.636 2.534 2.800 . 0 0 "[ . 1 . ]" 11
41 2 8 VAL HA 2 9 ALA H 3.320 . 4.840 3.457 3.413 3.497 . 0 0 "[ . 1 . ]" 11
42 2 8 VAL HB 2 9 ALA H 2.890 . 3.970 3.076 2.937 3.229 . 0 0 "[ . 1 . ]" 11
43 2 8 VAL QG 2 9 ALA H 3.790 . 5.790 3.478 3.418 3.535 . 0 0 "[ . 1 . ]" 11
44 2 8 VAL H 2 9 ALA H 2.540 . 3.270 2.541 2.445 2.613 . 0 0 "[ . 1 . ]" 11
45 1 10 LEU H 1 11 ILE H 2.970 . 4.140 2.589 2.481 2.867 . 0 0 "[ . 1 . ]" 11
46 1 9 ALA MB 1 10 LEU H 3.040 . 4.280 2.602 2.529 2.675 . 0 0 "[ . 1 . ]" 11
47 2 10 LEU H 2 11 ILE H 2.970 . 4.140 2.589 2.481 2.868 . 0 0 "[ . 1 . ]" 11
48 2 9 ALA MB 2 10 LEU H 3.040 . 4.280 2.602 2.528 2.674 . 0 0 "[ . 1 . ]" 11
49 1 10 LEU QB 1 11 ILE H 3.050 . 4.300 2.715 2.030 3.483 . 0 0 "[ . 1 . ]" 11
50 1 10 LEU QD 1 11 ILE H 3.900 . 6.000 3.453 2.853 3.990 . 0 0 "[ . 1 . ]" 11
51 1 10 LEU HG 1 11 ILE H 3.130 . 4.460 3.463 1.871 4.472 0.012 3 0 "[ . 1 . ]" 11
52 1 11 ILE H 1 12 ASP H 2.970 . 4.140 2.707 2.498 2.923 . 0 0 "[ . 1 . ]" 11
53 2 10 LEU QB 2 11 ILE H 3.050 . 4.300 2.715 2.029 3.483 . 0 0 "[ . 1 . ]" 11
54 2 10 LEU QD 2 11 ILE H 3.900 . 6.000 3.453 2.853 3.991 . 0 0 "[ . 1 . ]" 11
55 2 10 LEU HG 2 11 ILE H 3.130 . 4.460 3.463 1.870 4.472 0.012 3 0 "[ . 1 . ]" 11
56 2 11 ILE H 2 12 ASP H 2.970 . 4.140 2.707 2.497 2.922 . 0 0 "[ . 1 . ]" 11
57 1 11 ILE HA 1 12 ASP H 3.350 . 4.900 3.538 3.500 3.566 . 0 0 "[ . 1 . ]" 11
58 1 11 ILE HB 1 12 ASP H 3.030 . 4.260 2.761 2.300 3.944 . 0 0 "[ . 1 . ]" 11
59 1 11 ILE MG 1 12 ASP H 3.660 . 5.520 3.586 1.975 4.176 . 0 0 "[ . 1 . ]" 11
60 1 12 ASP H 1 13 VAL H 2.920 . 4.040 2.814 2.728 3.003 . 0 0 "[ . 1 . ]" 11
61 2 11 ILE HA 2 12 ASP H 3.350 . 4.900 3.538 3.499 3.566 . 0 0 "[ . 1 . ]" 11
62 2 11 ILE HB 2 12 ASP H 3.030 . 4.260 2.761 2.299 3.944 . 0 0 "[ . 1 . ]" 11
63 2 11 ILE MG 2 12 ASP H 3.660 . 5.520 3.586 1.973 4.176 . 0 0 "[ . 1 . ]" 11
64 2 12 ASP H 2 13 VAL H 2.920 . 4.040 2.813 2.730 3.002 . 0 0 "[ . 1 . ]" 11
65 1 12 ASP QB 1 13 VAL H 2.880 . 3.960 2.606 2.330 2.771 . 0 0 "[ . 1 . ]" 11
66 1 13 VAL H 1 14 PHE H 2.970 . 4.140 2.786 2.552 3.001 . 0 0 "[ . 1 . ]" 11
67 2 12 ASP QB 2 13 VAL H 2.880 . 3.960 2.606 2.328 2.770 . 0 0 "[ . 1 . ]" 11
68 2 13 VAL H 2 14 PHE H 2.970 . 4.140 2.786 2.553 3.000 . 0 0 "[ . 1 . ]" 11
69 1 13 VAL HA 1 14 PHE H 2.990 . 4.180 3.556 3.504 3.580 . 0 0 "[ . 1 . ]" 11
70 1 13 VAL HB 1 14 PHE H 2.800 . 3.800 2.447 2.016 2.792 . 0 0 "[ . 1 . ]" 11
71 1 13 VAL QG 1 14 PHE H 3.430 . 5.060 3.192 2.971 3.317 . 0 0 "[ . 1 . ]" 11
72 1 14 PHE H 1 15 HIS H 3.110 . 4.420 2.468 2.350 2.663 . 0 0 "[ . 1 . ]" 11
73 2 13 VAL HA 2 14 PHE H 2.990 . 4.180 3.555 3.503 3.579 . 0 0 "[ . 1 . ]" 11
74 2 13 VAL HB 2 14 PHE H 2.800 . 3.800 2.447 2.014 2.792 . 0 0 "[ . 1 . ]" 11
75 2 13 VAL QG 2 14 PHE H 3.430 . 5.060 3.192 2.970 3.318 . 0 0 "[ . 1 . ]" 11
76 2 14 PHE H 2 15 HIS H 3.110 . 4.420 2.468 2.351 2.663 . 0 0 "[ . 1 . ]" 11
77 1 15 HIS HA 1 16 GLN H 3.520 . 5.240 3.431 3.406 3.460 . 0 0 "[ . 1 . ]" 11
78 1 15 HIS QB 1 16 GLN H 2.990 . 4.180 3.075 2.980 3.169 . 0 0 "[ . 1 . ]" 11
79 1 16 GLN H 1 17 TYR HA 3.410 . 5.020 5.060 5.038 5.096 0.076 8 0 "[ . 1 . ]" 11
80 1 16 GLN H 1 17 TYR QD 3.250 . 4.700 4.620 4.258 4.695 . 0 0 "[ . 1 . ]" 11
81 1 16 GLN H 1 17 TYR H 2.920 . 4.040 2.417 2.365 2.506 . 0 0 "[ . 1 . ]" 11
82 2 15 HIS HA 2 16 GLN H 3.520 . 5.240 3.431 3.406 3.459 . 0 0 "[ . 1 . ]" 11
83 2 15 HIS QB 2 16 GLN H 2.990 . 4.180 3.075 2.981 3.168 . 0 0 "[ . 1 . ]" 11
84 2 16 GLN H 2 17 TYR HA 3.410 . 5.020 5.060 5.038 5.096 0.076 8 0 "[ . 1 . ]" 11
85 2 16 GLN H 2 17 TYR QD 3.250 . 4.700 4.620 4.259 4.694 . 0 0 "[ . 1 . ]" 11
86 2 16 GLN H 2 17 TYR H 2.920 . 4.040 2.418 2.365 2.505 . 0 0 "[ . 1 . ]" 11
87 1 16 GLN HA 1 17 TYR H 2.920 . 4.040 3.547 3.517 3.571 . 0 0 "[ . 1 . ]" 11
88 1 16 GLN QB 1 17 TYR H 2.750 . 3.690 2.587 2.383 3.331 . 0 0 "[ . 1 . ]" 11
89 1 17 TYR H 1 18 SER H 2.970 . 4.140 2.620 2.452 2.794 . 0 0 "[ . 1 . ]" 11
90 2 16 GLN HA 2 17 TYR H 2.920 . 4.040 3.547 3.517 3.571 . 0 0 "[ . 1 . ]" 11
91 2 16 GLN QB 2 17 TYR H 2.750 . 3.690 2.587 2.384 3.332 . 0 0 "[ . 1 . ]" 11
92 2 17 TYR H 2 18 SER H 2.970 . 4.140 2.620 2.452 2.792 . 0 0 "[ . 1 . ]" 11
93 1 17 TYR HA 1 18 SER H 3.430 . 5.060 3.564 3.547 3.577 . 0 0 "[ . 1 . ]" 11
94 1 17 TYR QB 1 18 SER H 3.360 . 4.920 2.397 2.161 2.612 . 0 0 "[ . 1 . ]" 11
95 2 17 TYR HA 2 18 SER H 3.430 . 5.060 3.564 3.547 3.578 . 0 0 "[ . 1 . ]" 11
96 2 17 TYR QB 2 18 SER H 3.360 . 4.920 2.397 2.159 2.611 . 0 0 "[ . 1 . ]" 11
97 1 18 SER HA 1 19 GLY H 3.300 . 4.800 2.561 2.138 3.561 . 0 0 "[ . 1 . ]" 11
98 1 18 SER QB 1 19 GLY H 3.380 . 4.960 3.366 2.380 3.828 . 0 0 "[ . 1 . ]" 11
99 1 18 SER H 1 19 GLY H 3.480 . 5.170 4.028 2.756 4.589 . 0 0 "[ . 1 . ]" 11
100 1 19 GLY H 1 20 ARG H 3.370 . 4.940 2.793 2.019 4.583 . 0 0 "[ . 1 . ]" 11
101 2 18 SER HA 2 19 GLY H 3.300 . 4.800 2.560 2.138 3.561 . 0 0 "[ . 1 . ]" 11
102 2 18 SER QB 2 19 GLY H 3.380 . 4.960 3.366 2.380 3.829 . 0 0 "[ . 1 . ]" 11
103 2 18 SER H 2 19 GLY H 3.480 . 5.170 4.028 2.754 4.588 . 0 0 "[ . 1 . ]" 11
104 2 19 GLY H 2 20 ARG H 3.370 . 4.940 2.795 2.018 4.582 . 0 0 "[ . 1 . ]" 11
105 1 19 GLY QA 1 20 ARG H 3.210 . 4.620 2.636 2.115 2.866 . 0 0 "[ . 1 . ]" 11
106 1 20 ARG H 1 21 GLU H 2.960 . 4.120 2.532 2.063 3.052 . 0 0 "[ . 1 . ]" 11
107 2 19 GLY QA 2 20 ARG H 3.210 . 4.620 2.635 2.116 2.867 . 0 0 "[ . 1 . ]" 11
108 2 20 ARG H 2 21 GLU H 2.960 . 4.120 2.530 2.055 3.052 . 0 0 "[ . 1 . ]" 11
109 1 20 ARG HA 1 21 GLU H 3.060 . 4.320 3.524 3.478 3.575 . 0 0 "[ . 1 . ]" 11
110 2 20 ARG HA 2 21 GLU H 3.060 . 4.320 3.524 3.479 3.575 . 0 0 "[ . 1 . ]" 11
111 1 25 HIS HA 1 26 LYS H 2.940 . 4.090 3.119 2.444 3.523 . 0 0 "[ . 1 . ]" 11
112 1 25 HIS H 1 26 LYS H 3.050 . 4.300 2.327 1.786 3.137 0.014 4 0 "[ . 1 . ]" 11
113 2 25 HIS HA 2 26 LYS H 2.940 . 4.090 3.118 2.443 3.524 . 0 0 "[ . 1 . ]" 11
114 2 25 HIS H 2 26 LYS H 3.050 . 4.300 2.326 1.786 3.138 0.014 4 0 "[ . 1 . ]" 11
115 1 26 LYS HA 1 27 LEU H 3.130 . 4.460 2.374 2.274 2.551 . 0 0 "[ . 1 . ]" 11
116 2 26 LYS HA 2 27 LEU H 3.130 . 4.460 2.374 2.273 2.551 . 0 0 "[ . 1 . ]" 11
117 1 27 LEU HA 1 28 LYS H 2.520 . 3.240 2.177 2.117 2.218 . 0 0 "[ . 1 . ]" 11
118 1 27 LEU QB 1 28 LYS H 2.520 . 3.230 2.930 2.896 2.974 . 0 0 "[ . 1 . ]" 11
119 1 27 LEU QD 1 28 LYS H 3.900 . 6.000 3.669 2.971 4.140 . 0 0 "[ . 1 . ]" 11
120 2 27 LEU HA 2 28 LYS H 2.520 . 3.240 2.177 2.117 2.219 . 0 0 "[ . 1 . ]" 11
121 2 27 LEU QB 2 28 LYS H 2.520 . 3.230 2.930 2.896 2.973 . 0 0 "[ . 1 . ]" 11
122 2 27 LEU QD 2 28 LYS H 3.900 . 6.000 3.668 2.970 4.139 . 0 0 "[ . 1 . ]" 11
123 1 30 SER HA 1 31 GLU H 2.970 . 4.140 3.551 3.496 3.584 . 0 0 "[ . 1 . ]" 11
124 1 30 SER QB 1 31 GLU H 3.430 . 5.060 2.673 2.241 3.429 . 0 0 "[ . 1 . ]" 11
125 1 30 SER H 1 31 GLU H 3.480 . 5.170 2.542 2.370 2.865 . 0 0 "[ . 1 . ]" 11
126 1 31 GLU H 1 32 LEU H 2.840 . 3.880 2.816 2.627 2.992 . 0 0 "[ . 1 . ]" 11
127 2 30 SER HA 2 31 GLU H 2.970 . 4.140 3.551 3.497 3.584 . 0 0 "[ . 1 . ]" 11
128 2 30 SER QB 2 31 GLU H 3.430 . 5.060 2.673 2.241 3.430 . 0 0 "[ . 1 . ]" 11
129 2 30 SER H 2 31 GLU H 3.480 . 5.170 2.542 2.370 2.865 . 0 0 "[ . 1 . ]" 11
130 2 31 GLU H 2 32 LEU H 2.840 . 3.880 2.816 2.627 2.993 . 0 0 "[ . 1 . ]" 11
131 1 31 GLU HA 1 32 LEU H 3.090 . 4.380 3.570 3.552 3.583 . 0 0 "[ . 1 . ]" 11
132 1 31 GLU QB 1 32 LEU H 2.870 . 3.940 2.189 1.962 2.512 . 0 0 "[ . 1 . ]" 11
133 1 32 LEU H 1 33 LYS H 3.050 . 4.300 3.106 2.835 3.319 . 0 0 "[ . 1 . ]" 11
134 2 31 GLU HA 2 32 LEU H 3.090 . 4.380 3.570 3.552 3.585 . 0 0 "[ . 1 . ]" 11
135 2 31 GLU QB 2 32 LEU H 2.870 . 3.940 2.189 1.964 2.511 . 0 0 "[ . 1 . ]" 11
136 2 32 LEU H 2 33 LYS H 3.050 . 4.300 3.107 2.836 3.319 . 0 0 "[ . 1 . ]" 11
137 1 32 LEU HA 1 33 LYS H 3.270 . 4.740 3.570 3.543 3.580 . 0 0 "[ . 1 . ]" 11
138 1 32 LEU QB 1 33 LYS H 3.110 . 4.420 2.215 1.931 3.321 . 0 0 "[ . 1 . ]" 11
139 1 32 LEU QD 1 33 LYS H 3.040 . 4.280 2.733 2.155 3.193 . 0 0 "[ . 1 . ]" 11
140 1 33 LYS H 1 34 GLU H 3.000 . 4.200 2.915 2.674 3.224 . 0 0 "[ . 1 . ]" 11
141 2 32 LEU HA 2 33 LYS H 3.270 . 4.740 3.570 3.544 3.580 . 0 0 "[ . 1 . ]" 11
142 2 32 LEU QB 2 33 LYS H 3.110 . 4.420 2.216 1.932 3.323 . 0 0 "[ . 1 . ]" 11
143 2 32 LEU QD 2 33 LYS H 3.040 . 4.280 2.733 2.156 3.194 . 0 0 "[ . 1 . ]" 11
144 2 33 LYS H 2 34 GLU H 3.000 . 4.200 2.915 2.673 3.222 . 0 0 "[ . 1 . ]" 11
145 1 33 LYS HA 1 34 GLU H 3.220 . 4.640 3.543 3.482 3.588 . 0 0 "[ . 1 . ]" 11
146 1 33 LYS QB 1 34 GLU H 3.290 . 4.780 2.494 2.010 2.917 . 0 0 "[ . 1 . ]" 11
147 1 33 LYS QD 1 34 GLU H 3.440 . 5.080 4.385 4.069 4.588 . 0 0 "[ . 1 . ]" 11
148 1 33 LYS QG 1 34 GLU H 3.690 . 5.580 4.171 3.640 4.614 . 0 0 "[ . 1 . ]" 11
149 1 34 GLU H 1 35 LEU H 2.880 . 3.960 2.928 2.754 3.090 . 0 0 "[ . 1 . ]" 11
150 2 33 LYS HA 2 34 GLU H 3.220 . 4.640 3.543 3.482 3.588 . 0 0 "[ . 1 . ]" 11
151 2 33 LYS QB 2 34 GLU H 3.290 . 4.780 2.494 2.010 2.916 . 0 0 "[ . 1 . ]" 11
152 2 33 LYS QD 2 34 GLU H 3.440 . 5.080 4.385 4.068 4.588 . 0 0 "[ . 1 . ]" 11
153 2 33 LYS QG 2 34 GLU H 3.690 . 5.580 4.171 3.641 4.613 . 0 0 "[ . 1 . ]" 11
154 2 34 GLU H 2 35 LEU H 2.880 . 3.960 2.929 2.754 3.090 . 0 0 "[ . 1 . ]" 11
155 1 34 GLU HA 1 35 LEU H 3.170 . 4.550 3.561 3.473 3.594 . 0 0 "[ . 1 . ]" 11
156 1 34 GLU QB 1 35 LEU H 2.710 . 3.610 2.589 2.249 3.253 . 0 0 "[ . 1 . ]" 11
157 1 35 LEU H 1 36 ILE H 2.880 . 3.960 2.720 2.532 2.906 . 0 0 "[ . 1 . ]" 11
158 2 34 GLU HA 2 35 LEU H 3.170 . 4.550 3.561 3.473 3.594 . 0 0 "[ . 1 . ]" 11
159 2 34 GLU QB 2 35 LEU H 2.710 . 3.610 2.589 2.248 3.253 . 0 0 "[ . 1 . ]" 11
160 2 35 LEU H 2 36 ILE H 2.880 . 3.960 2.721 2.533 2.906 . 0 0 "[ . 1 . ]" 11
161 1 35 LEU HA 1 36 ILE H 2.580 . 3.370 3.476 3.452 3.515 0.145 16 0 "[ . 1 . ]" 11
162 1 35 LEU QB 1 36 ILE H 3.070 . 4.340 2.564 2.186 2.788 . 0 0 "[ . 1 . ]" 11
163 1 35 LEU QD 1 36 ILE H 3.170 . 4.540 3.419 3.377 3.470 . 0 0 "[ . 1 . ]" 11
164 2 35 LEU HA 2 36 ILE H 2.580 . 3.370 3.475 3.452 3.516 0.146 16 0 "[ . 1 . ]" 11
165 2 35 LEU QB 2 36 ILE H 3.070 . 4.340 2.564 2.188 2.789 . 0 0 "[ . 1 . ]" 11
166 2 35 LEU QD 2 36 ILE H 3.170 . 4.540 3.419 3.377 3.470 . 0 0 "[ . 1 . ]" 11
167 1 36 ILE HA 1 37 ASN H 3.310 . 4.830 3.549 3.470 3.580 . 0 0 "[ . 1 . ]" 11
168 1 36 ILE HB 1 37 ASN H 3.060 . 4.330 2.414 2.071 2.807 . 0 0 "[ . 1 . ]" 11
169 1 36 ILE MG 1 37 ASN H 3.900 . 6.000 2.961 2.214 3.574 . 0 0 "[ . 1 . ]" 11
170 1 37 ASN H 1 38 ASN H 2.750 . 3.690 2.475 2.235 2.704 . 0 0 "[ . 1 . ]" 11
171 2 36 ILE HA 2 37 ASN H 3.310 . 4.830 3.549 3.469 3.580 . 0 0 "[ . 1 . ]" 11
172 2 36 ILE HB 2 37 ASN H 3.060 . 4.330 2.414 2.071 2.806 . 0 0 "[ . 1 . ]" 11
173 2 36 ILE MG 2 37 ASN H 3.900 . 6.000 2.961 2.213 3.574 . 0 0 "[ . 1 . ]" 11
174 2 37 ASN H 2 38 ASN H 2.750 . 3.690 2.475 2.236 2.704 . 0 0 "[ . 1 . ]" 11
175 1 37 ASN HA 1 38 ASN H 2.910 . 4.020 3.396 3.340 3.481 . 0 0 "[ . 1 . ]" 11
176 1 38 ASN H 1 39 GLU H 2.660 . 3.520 2.393 2.207 2.675 . 0 0 "[ . 1 . ]" 11
177 2 37 ASN HA 2 38 ASN H 2.910 . 4.020 3.397 3.339 3.481 . 0 0 "[ . 1 . ]" 11
178 2 38 ASN H 2 39 GLU H 2.660 . 3.520 2.393 2.206 2.675 . 0 0 "[ . 1 . ]" 11
179 1 38 ASN HA 1 39 GLU H 2.920 . 4.040 3.517 3.440 3.580 . 0 0 "[ . 1 . ]" 11
180 1 39 GLU H 1 40 LEU QD 3.610 . 5.420 3.921 3.242 4.046 . 0 0 "[ . 1 . ]" 11
181 1 39 GLU H 1 40 LEU H 2.690 . 3.570 2.498 1.864 2.903 . 0 0 "[ . 1 . ]" 11
182 2 38 ASN HA 2 39 GLU H 2.920 . 4.040 3.517 3.440 3.580 . 0 0 "[ . 1 . ]" 11
183 2 39 GLU H 2 40 LEU QD 3.610 . 5.420 3.921 3.241 4.046 . 0 0 "[ . 1 . ]" 11
184 2 39 GLU H 2 40 LEU H 2.690 . 3.570 2.498 1.863 2.903 . 0 0 "[ . 1 . ]" 11
185 1 39 GLU HA 1 40 LEU H 2.920 . 4.040 3.001 2.569 3.572 . 0 0 "[ . 1 . ]" 11
186 1 40 LEU H 1 41 SER H 2.850 . 3.900 3.130 2.457 3.936 0.036 4 0 "[ . 1 . ]" 11
187 2 39 GLU HA 2 40 LEU H 2.920 . 4.040 3.000 2.568 3.572 . 0 0 "[ . 1 . ]" 11
188 2 40 LEU H 2 41 SER H 2.850 . 3.900 3.130 2.457 3.936 0.036 4 0 "[ . 1 . ]" 11
189 1 40 LEU HA 1 41 SER H 3.160 . 4.520 2.825 2.125 3.561 . 0 0 "[ . 1 . ]" 11
190 2 40 LEU HA 2 41 SER H 3.160 . 4.520 2.825 2.123 3.562 . 0 0 "[ . 1 . ]" 11
191 1 41 SER H 1 42 HIS H 2.920 . 4.040 2.967 2.138 4.028 . 0 0 "[ . 1 . ]" 11
192 1 42 HIS H 1 43 PHE H 2.760 . 3.720 2.531 1.995 3.706 . 0 0 "[ . 1 . ]" 11
193 2 41 SER H 2 42 HIS H 2.920 . 4.040 2.967 2.137 4.029 . 0 0 "[ . 1 . ]" 11
194 2 42 HIS H 2 43 PHE H 2.760 . 3.720 2.531 1.997 3.705 . 0 0 "[ . 1 . ]" 11
195 1 45 GLU HA 1 46 GLU H 2.940 . 4.080 3.196 2.146 3.575 . 0 0 "[ . 1 . ]" 11
196 2 45 GLU HA 2 46 GLU H 2.940 . 4.080 3.196 2.146 3.575 . 0 0 "[ . 1 . ]" 11
197 1 46 GLU HA 1 47 ILE H 2.500 . 3.210 3.013 2.511 3.350 0.140 13 0 "[ . 1 . ]" 11
198 1 46 GLU QB 1 47 ILE H 3.240 . 4.680 3.693 3.158 3.997 . 0 0 "[ . 1 . ]" 11
199 2 46 GLU HA 2 47 ILE H 2.500 . 3.210 3.013 2.512 3.351 0.141 13 0 "[ . 1 . ]" 11
200 2 46 GLU QB 2 47 ILE H 3.240 . 4.680 3.693 3.157 3.998 . 0 0 "[ . 1 . ]" 11
201 1 47 ILE HA 1 48 LYS H 2.940 . 4.080 2.313 2.132 2.658 . 0 0 "[ . 1 . ]" 11
202 1 47 ILE HB 1 48 LYS H 2.960 . 4.120 3.984 3.454 4.222 0.102 6 0 "[ . 1 . ]" 11
203 1 47 ILE MG 1 48 LYS H 3.900 . 6.000 3.547 2.198 4.253 . 0 0 "[ . 1 . ]" 11
204 2 47 ILE HA 2 48 LYS H 2.940 . 4.080 2.313 2.133 2.657 . 0 0 "[ . 1 . ]" 11
205 2 47 ILE HB 2 48 LYS H 2.960 . 4.120 3.984 3.456 4.220 0.100 6 0 "[ . 1 . ]" 11
206 2 47 ILE MG 2 48 LYS H 3.900 . 6.000 3.547 2.198 4.251 . 0 0 "[ . 1 . ]" 11
207 1 48 LYS HA 1 49 GLU H 3.200 . 4.600 3.468 3.237 3.573 . 0 0 "[ . 1 . ]" 11
208 1 48 LYS QB 1 49 GLU H 3.550 . 5.300 2.859 1.682 3.877 0.118 1 0 "[ . 1 . ]" 11
209 1 48 LYS H 1 49 GLU H 3.520 . 5.250 2.793 2.209 3.191 . 0 0 "[ . 1 . ]" 11
210 2 48 LYS HA 2 49 GLU H 3.200 . 4.600 3.468 3.238 3.573 . 0 0 "[ . 1 . ]" 11
211 2 48 LYS QB 2 49 GLU H 3.550 . 5.300 2.859 1.682 3.877 0.118 1 0 "[ . 1 . ]" 11
212 2 48 LYS H 2 49 GLU H 3.520 . 5.250 2.793 2.208 3.190 . 0 0 "[ . 1 . ]" 11
213 1 50 GLN HA 1 51 GLU H 3.450 . 5.100 3.484 3.399 3.535 . 0 0 "[ . 1 . ]" 11
214 1 51 GLU H 1 52 VAL H 2.960 . 4.120 2.612 2.436 2.755 . 0 0 "[ . 1 . ]" 11
215 2 50 GLN HA 2 51 GLU H 3.450 . 5.100 3.484 3.398 3.535 . 0 0 "[ . 1 . ]" 11
216 2 51 GLU H 2 52 VAL H 2.960 . 4.120 2.612 2.437 2.753 . 0 0 "[ . 1 . ]" 11
217 1 51 GLU HA 1 52 VAL H 2.870 . 3.940 3.544 3.533 3.554 . 0 0 "[ . 1 . ]" 11
218 1 51 GLU QB 1 52 VAL H 2.730 . 3.670 3.293 3.276 3.313 . 0 0 "[ . 1 . ]" 11
219 1 51 GLU QG 1 52 VAL H 2.690 . 3.570 1.943 1.920 1.983 . 0 0 "[ . 1 . ]" 11
220 1 52 VAL H 1 53 VAL QG 3.530 . 5.260 3.768 3.565 3.951 . 0 0 "[ . 1 . ]" 11
221 1 52 VAL H 1 53 VAL H 3.340 . 4.880 2.698 2.571 2.760 . 0 0 "[ . 1 . ]" 11
222 2 51 GLU HA 2 52 VAL H 2.870 . 3.940 3.545 3.533 3.554 . 0 0 "[ . 1 . ]" 11
223 2 51 GLU QB 2 52 VAL H 2.730 . 3.670 3.293 3.276 3.314 . 0 0 "[ . 1 . ]" 11
224 2 51 GLU QG 2 52 VAL H 2.690 . 3.570 1.943 1.919 1.984 . 0 0 "[ . 1 . ]" 11
225 2 52 VAL H 2 53 VAL QG 3.530 . 5.260 3.768 3.565 3.951 . 0 0 "[ . 1 . ]" 11
226 2 52 VAL H 2 53 VAL H 3.340 . 4.880 2.698 2.571 2.762 . 0 0 "[ . 1 . ]" 11
227 1 52 VAL HA 1 53 VAL H 3.190 . 4.590 3.544 3.511 3.562 . 0 0 "[ . 1 . ]" 11
228 1 52 VAL HB 1 53 VAL H 2.840 . 3.880 3.755 3.580 3.901 0.021 14 0 "[ . 1 . ]" 11
229 1 52 VAL QG 1 53 VAL H 3.660 . 5.520 1.918 1.846 2.036 . 0 0 "[ . 1 . ]" 11
230 2 52 VAL HA 2 53 VAL H 3.190 . 4.590 3.544 3.511 3.563 . 0 0 "[ . 1 . ]" 11
231 2 52 VAL HB 2 53 VAL H 2.840 . 3.880 3.756 3.581 3.900 0.020 14 0 "[ . 1 . ]" 11
232 2 52 VAL QG 2 53 VAL H 3.660 . 5.520 1.918 1.845 2.037 . 0 0 "[ . 1 . ]" 11
233 1 53 VAL HB 1 54 ASP H 2.890 . 3.980 2.434 1.946 2.986 . 0 0 "[ . 1 . ]" 11
234 1 53 VAL H 1 54 ASP H 3.150 . 4.500 2.873 2.685 3.128 . 0 0 "[ . 1 . ]" 11
235 2 53 VAL HB 2 54 ASP H 2.890 . 3.980 2.434 1.947 2.986 . 0 0 "[ . 1 . ]" 11
236 2 53 VAL H 2 54 ASP H 3.150 . 4.500 2.873 2.687 3.129 . 0 0 "[ . 1 . ]" 11
237 1 54 ASP QB 1 55 LYS H 3.000 . 4.200 2.636 2.396 2.800 . 0 0 "[ . 1 . ]" 11
238 1 54 ASP H 1 55 LYS H 2.980 . 4.160 2.761 2.556 2.874 . 0 0 "[ . 1 . ]" 11
239 1 55 LYS H 1 56 VAL QG 3.900 . 6.000 3.860 3.506 3.973 . 0 0 "[ . 1 . ]" 11
240 1 55 LYS H 1 56 VAL H 2.790 . 3.790 2.426 2.217 2.704 . 0 0 "[ . 1 . ]" 11
241 2 54 ASP QB 2 55 LYS H 3.000 . 4.200 2.636 2.397 2.800 . 0 0 "[ . 1 . ]" 11
242 2 54 ASP H 2 55 LYS H 2.980 . 4.160 2.761 2.557 2.874 . 0 0 "[ . 1 . ]" 11
243 2 55 LYS H 2 56 VAL QG 3.900 . 6.000 3.861 3.507 3.973 . 0 0 "[ . 1 . ]" 11
244 2 55 LYS H 2 56 VAL H 2.790 . 3.790 2.426 2.218 2.704 . 0 0 "[ . 1 . ]" 11
245 1 56 VAL HA 1 57 MET H 3.350 . 4.910 3.584 3.534 3.605 . 0 0 "[ . 1 . ]" 11
246 1 56 VAL QG 1 57 MET H 3.360 . 4.920 2.715 1.764 3.085 0.036 14 0 "[ . 1 . ]" 11
247 2 56 VAL HA 2 57 MET H 3.350 . 4.910 3.585 3.534 3.606 . 0 0 "[ . 1 . ]" 11
248 2 56 VAL QG 2 57 MET H 3.360 . 4.920 2.715 1.765 3.085 0.035 14 0 "[ . 1 . ]" 11
249 1 57 MET ME 1 58 GLU H 3.900 . 6.000 4.984 4.807 5.037 . 0 0 "[ . 1 . ]" 11
250 2 57 MET ME 2 58 GLU H 3.900 . 6.000 4.983 4.807 5.037 . 0 0 "[ . 1 . ]" 11
251 1 58 GLU HA 1 59 THR H 3.120 . 4.450 3.492 3.459 3.517 . 0 0 "[ . 1 . ]" 11
252 1 58 GLU QB 1 59 THR H 2.850 . 3.890 2.809 2.666 2.917 . 0 0 "[ . 1 . ]" 11
253 1 58 GLU QG 1 59 THR H 3.540 . 5.280 4.398 3.842 4.569 . 0 0 "[ . 1 . ]" 11
254 1 58 GLU H 1 59 THR H 3.040 . 4.290 2.421 2.250 2.586 . 0 0 "[ . 1 . ]" 11
255 2 58 GLU HA 2 59 THR H 3.120 . 4.450 3.493 3.460 3.517 . 0 0 "[ . 1 . ]" 11
256 2 58 GLU QB 2 59 THR H 2.850 . 3.890 2.810 2.666 2.917 . 0 0 "[ . 1 . ]" 11
257 2 58 GLU QG 2 59 THR H 3.540 . 5.280 4.398 3.842 4.570 . 0 0 "[ . 1 . ]" 11
258 2 58 GLU H 2 59 THR H 3.040 . 4.290 2.421 2.252 2.586 . 0 0 "[ . 1 . ]" 11
259 1 59 THR HA 1 60 LEU H 2.980 . 4.160 3.438 3.344 3.488 . 0 0 "[ . 1 . ]" 11
260 1 59 THR HB 1 60 LEU H 2.850 . 3.910 3.084 2.894 3.432 . 0 0 "[ . 1 . ]" 11
261 1 59 THR MG 1 60 LEU H 3.710 . 5.620 3.927 3.573 4.232 . 0 0 "[ . 1 . ]" 11
262 1 60 LEU H 1 61 ASP QB 3.400 . 5.000 3.998 3.748 4.212 . 0 0 "[ . 1 . ]" 11
263 1 60 LEU H 1 61 ASP H 2.790 . 3.790 2.240 2.031 2.524 . 0 0 "[ . 1 . ]" 11
264 2 59 THR HA 2 60 LEU H 2.980 . 4.160 3.439 3.343 3.487 . 0 0 "[ . 1 . ]" 11
265 2 59 THR HB 2 60 LEU H 2.850 . 3.910 3.084 2.895 3.432 . 0 0 "[ . 1 . ]" 11
266 2 59 THR MG 2 60 LEU H 3.710 . 5.620 3.927 3.573 4.232 . 0 0 "[ . 1 . ]" 11
267 2 60 LEU H 2 61 ASP QB 3.400 . 5.000 3.998 3.748 4.213 . 0 0 "[ . 1 . ]" 11
268 2 60 LEU H 2 61 ASP H 2.790 . 3.790 2.240 2.030 2.525 . 0 0 "[ . 1 . ]" 11
269 1 60 LEU HA 1 61 ASP H 2.920 . 4.040 3.442 3.356 3.560 . 0 0 "[ . 1 . ]" 11
270 1 60 LEU QD 1 61 ASP H 3.900 . 6.000 4.108 3.793 4.430 . 0 0 "[ . 1 . ]" 11
271 1 61 ASP H 1 62 ASN H 3.500 . 5.210 4.250 3.420 4.538 . 0 0 "[ . 1 . ]" 11
272 2 60 LEU HA 2 61 ASP H 2.920 . 4.040 3.442 3.356 3.560 . 0 0 "[ . 1 . ]" 11
273 2 60 LEU QD 2 61 ASP H 3.900 . 6.000 4.108 3.793 4.430 . 0 0 "[ . 1 . ]" 11
274 2 61 ASP H 2 62 ASN H 3.500 . 5.210 4.250 3.418 4.539 . 0 0 "[ . 1 . ]" 11
275 1 61 ASP HA 1 62 ASN H 2.830 . 3.860 2.200 2.131 2.391 . 0 0 "[ . 1 . ]" 11
276 1 62 ASN H 1 63 ASP H 2.830 . 3.870 2.253 1.923 2.777 . 0 0 "[ . 1 . ]" 11
277 2 61 ASP HA 2 62 ASN H 2.830 . 3.860 2.200 2.132 2.389 . 0 0 "[ . 1 . ]" 11
278 2 62 ASN H 2 63 ASP H 2.830 . 3.870 2.252 1.923 2.776 . 0 0 "[ . 1 . ]" 11
279 1 62 ASN QB 1 63 ASP H 2.700 . 3.600 2.539 2.090 3.233 . 0 0 "[ . 1 . ]" 11
280 1 63 ASP H 1 64 GLY H 2.730 . 3.670 2.289 1.967 3.542 . 0 0 "[ . 1 . ]" 11
281 2 62 ASN QB 2 63 ASP H 2.700 . 3.600 2.540 2.089 3.234 . 0 0 "[ . 1 . ]" 11
282 2 63 ASP H 2 64 GLY H 2.730 . 3.670 2.288 1.968 3.540 . 0 0 "[ . 1 . ]" 11
283 1 63 ASP HA 1 64 GLY H 3.110 . 4.420 2.846 2.643 3.467 . 0 0 "[ . 1 . ]" 11
284 1 63 ASP QB 1 64 GLY H 3.420 . 5.040 3.784 2.097 4.042 . 0 0 "[ . 1 . ]" 11
285 1 64 GLY H 1 65 ASP HA 3.340 . 4.880 4.492 4.213 4.880 . 0 0 "[ . 1 . ]" 11
286 1 64 GLY H 1 65 ASP H 2.700 . 3.600 2.322 2.005 2.498 . 0 0 "[ . 1 . ]" 11
287 2 63 ASP HA 2 64 GLY H 3.110 . 4.420 2.845 2.644 3.467 . 0 0 "[ . 1 . ]" 11
288 2 63 ASP QB 2 64 GLY H 3.420 . 5.040 3.784 2.095 4.042 . 0 0 "[ . 1 . ]" 11
289 2 64 GLY H 2 65 ASP HA 3.340 . 4.880 4.492 4.213 4.879 . 0 0 "[ . 1 . ]" 11
290 2 64 GLY H 2 65 ASP H 2.700 . 3.600 2.322 2.006 2.499 . 0 0 "[ . 1 . ]" 11
291 1 64 GLY QA 1 65 ASP H 3.280 . 4.760 2.816 2.503 2.926 . 0 0 "[ . 1 . ]" 11
292 1 65 ASP H 1 66 GLY H 2.770 . 3.730 2.417 1.807 2.682 . 0 0 "[ . 1 . ]" 11
293 2 64 GLY QA 2 65 ASP H 3.280 . 4.760 2.816 2.502 2.926 . 0 0 "[ . 1 . ]" 11
294 2 65 ASP H 2 66 GLY H 2.770 . 3.730 2.416 1.807 2.682 . 0 0 "[ . 1 . ]" 11
295 1 65 ASP HA 1 66 GLY H 3.170 . 4.540 2.960 2.816 3.129 . 0 0 "[ . 1 . ]" 11
296 1 65 ASP QB 1 66 GLY H 3.490 . 5.180 3.786 3.624 4.045 . 0 0 "[ . 1 . ]" 11
297 1 66 GLY H 1 67 GLU H 2.750 . 3.690 2.437 1.976 2.823 . 0 0 "[ . 1 . ]" 11
298 2 65 ASP HA 2 66 GLY H 3.170 . 4.540 2.960 2.814 3.129 . 0 0 "[ . 1 . ]" 11
299 2 65 ASP QB 2 66 GLY H 3.490 . 5.180 3.786 3.623 4.045 . 0 0 "[ . 1 . ]" 11
300 2 66 GLY H 2 67 GLU H 2.750 . 3.690 2.437 1.976 2.822 . 0 0 "[ . 1 . ]" 11
301 1 66 GLY QA 1 67 GLU H 3.270 . 4.740 2.862 2.606 2.954 . 0 0 "[ . 1 . ]" 11
302 1 67 GLU H 1 68 CYS HA 3.880 . 5.960 4.947 4.641 5.183 . 0 0 "[ . 1 . ]" 11
303 1 67 GLU H 1 68 CYS H 3.130 . 4.460 4.427 4.351 4.490 0.030 17 0 "[ . 1 . ]" 11
304 2 66 GLY QA 2 67 GLU H 3.270 . 4.740 2.862 2.605 2.953 . 0 0 "[ . 1 . ]" 11
305 2 67 GLU H 2 68 CYS HA 3.880 . 5.960 4.947 4.642 5.184 . 0 0 "[ . 1 . ]" 11
306 2 67 GLU H 2 68 CYS H 3.130 . 4.460 4.427 4.351 4.490 0.030 17 0 "[ . 1 . ]" 11
307 1 67 GLU HA 1 68 CYS H 2.520 . 3.230 2.566 2.312 2.713 . 0 0 "[ . 1 . ]" 11
308 1 67 GLU QB 1 68 CYS H 2.730 . 3.670 2.315 2.107 2.939 . 0 0 "[ . 1 . ]" 11
309 1 67 GLU QG 1 68 CYS H 2.440 . 3.070 2.777 2.739 2.831 . 0 0 "[ . 1 . ]" 11
310 2 67 GLU HA 2 68 CYS H 2.520 . 3.230 2.566 2.311 2.713 . 0 0 "[ . 1 . ]" 11
311 2 67 GLU QB 2 68 CYS H 2.730 . 3.670 2.314 2.106 2.938 . 0 0 "[ . 1 . ]" 11
312 2 67 GLU QG 2 68 CYS H 2.440 . 3.070 2.776 2.739 2.832 . 0 0 "[ . 1 . ]" 11
313 1 68 CYS HA 1 69 ASP H 2.480 . 3.170 2.248 2.142 2.331 . 0 0 "[ . 1 . ]" 11
314 1 68 CYS QB 1 69 ASP H 3.280 . 4.760 3.759 3.383 3.976 . 0 0 "[ . 1 . ]" 11
315 1 69 ASP H 1 70 PHE H 3.100 . 4.400 4.409 4.261 4.480 0.080 14 0 "[ . 1 . ]" 11
316 2 68 CYS HA 2 69 ASP H 2.480 . 3.170 2.248 2.141 2.332 . 0 0 "[ . 1 . ]" 11
317 2 68 CYS QB 2 69 ASP H 3.280 . 4.760 3.759 3.382 3.976 . 0 0 "[ . 1 . ]" 11
318 2 69 ASP H 2 70 PHE H 3.100 . 4.400 4.409 4.262 4.480 0.080 14 0 "[ . 1 . ]" 11
319 1 69 ASP HA 1 70 PHE H 2.910 . 4.020 2.776 2.645 2.965 . 0 0 "[ . 1 . ]" 11
320 1 69 ASP QB 1 70 PHE H 2.940 . 4.080 1.905 1.735 2.109 0.065 6 0 "[ . 1 . ]" 11
321 1 70 PHE H 1 71 GLN H 2.880 . 3.960 2.571 2.468 2.761 . 0 0 "[ . 1 . ]" 11
322 2 69 ASP HA 2 70 PHE H 2.910 . 4.020 2.776 2.645 2.966 . 0 0 "[ . 1 . ]" 11
323 2 69 ASP QB 2 70 PHE H 2.940 . 4.080 1.905 1.737 2.110 0.063 6 0 "[ . 1 . ]" 11
324 2 70 PHE H 2 71 GLN H 2.880 . 3.960 2.571 2.468 2.761 . 0 0 "[ . 1 . ]" 11
325 1 70 PHE HA 1 71 GLN H 3.520 . 5.240 3.459 3.355 3.550 . 0 0 "[ . 1 . ]" 11
326 2 70 PHE HA 2 71 GLN H 3.520 . 5.240 3.459 3.355 3.549 . 0 0 "[ . 1 . ]" 11
327 1 71 GLN HA 1 72 GLU H 3.290 . 4.780 3.498 3.456 3.538 . 0 0 "[ . 1 . ]" 11
328 1 71 GLN H 1 72 GLU H 2.820 . 3.840 2.576 2.382 2.719 . 0 0 "[ . 1 . ]" 11
329 1 72 GLU H 1 73 PHE H 2.810 . 3.820 2.438 2.258 2.607 . 0 0 "[ . 1 . ]" 11
330 2 71 GLN HA 2 72 GLU H 3.290 . 4.780 3.498 3.456 3.537 . 0 0 "[ . 1 . ]" 11
331 2 71 GLN H 2 72 GLU H 2.820 . 3.840 2.576 2.382 2.719 . 0 0 "[ . 1 . ]" 11
332 2 72 GLU H 2 73 PHE H 2.810 . 3.820 2.437 2.257 2.606 . 0 0 "[ . 1 . ]" 11
333 1 72 GLU QG 1 73 PHE H 3.030 . 4.260 3.557 2.192 3.836 . 0 0 "[ . 1 . ]" 11
334 1 73 PHE H 1 74 MET QG 3.330 . 4.870 4.310 3.901 4.391 . 0 0 "[ . 1 . ]" 11
335 1 73 PHE H 1 74 MET H 3.140 . 4.480 2.685 2.339 2.943 . 0 0 "[ . 1 . ]" 11
336 2 72 GLU QG 2 73 PHE H 3.030 . 4.260 3.557 2.190 3.835 . 0 0 "[ . 1 . ]" 11
337 2 73 PHE H 2 74 MET QG 3.330 . 4.870 4.309 3.893 4.391 . 0 0 "[ . 1 . ]" 11
338 2 73 PHE H 2 74 MET H 3.140 . 4.480 2.686 2.339 2.944 . 0 0 "[ . 1 . ]" 11
339 1 74 MET QB 1 75 ALA H 3.280 . 4.760 2.424 2.068 3.438 . 0 0 "[ . 1 . ]" 11
340 1 74 MET H 1 75 ALA H 3.250 . 4.700 2.745 2.547 2.919 . 0 0 "[ . 1 . ]" 11
341 1 75 ALA H 1 76 PHE HA 3.590 . 5.380 5.203 5.016 5.377 . 0 0 "[ . 1 . ]" 11
342 1 75 ALA H 1 76 PHE QB 3.850 . 5.910 4.327 4.136 4.529 . 0 0 "[ . 1 . ]" 11
343 2 74 MET QB 2 75 ALA H 3.280 . 4.760 2.425 2.070 3.438 . 0 0 "[ . 1 . ]" 11
344 2 74 MET H 2 75 ALA H 3.250 . 4.700 2.745 2.545 2.920 . 0 0 "[ . 1 . ]" 11
345 2 75 ALA H 2 76 PHE HA 3.590 . 5.380 5.203 5.016 5.377 . 0 0 "[ . 1 . ]" 11
346 2 75 ALA H 2 76 PHE QB 3.850 . 5.910 4.327 4.137 4.531 . 0 0 "[ . 1 . ]" 11
347 1 75 ALA MB 1 76 PHE H 3.150 . 4.500 2.841 2.560 3.033 . 0 0 "[ . 1 . ]" 11
348 1 76 PHE H 1 77 VAL QG 3.900 . 6.000 3.908 3.393 4.261 . 0 0 "[ . 1 . ]" 11
349 1 76 PHE H 1 77 VAL H 2.870 . 3.940 2.989 2.838 3.162 . 0 0 "[ . 1 . ]" 11
350 2 75 ALA MB 2 76 PHE H 3.150 . 4.500 2.841 2.561 3.032 . 0 0 "[ . 1 . ]" 11
351 2 76 PHE H 2 77 VAL QG 3.900 . 6.000 3.908 3.393 4.260 . 0 0 "[ . 1 . ]" 11
352 2 76 PHE H 2 77 VAL H 2.870 . 3.940 2.989 2.837 3.161 . 0 0 "[ . 1 . ]" 11
353 1 76 PHE HA 1 77 VAL H 3.170 . 4.550 3.560 3.539 3.581 . 0 0 "[ . 1 . ]" 11
354 1 76 PHE QB 1 77 VAL H 2.940 . 4.080 1.899 1.817 1.978 . 0 0 "[ . 1 . ]" 11
355 1 76 PHE QD 1 77 VAL H 3.270 . 4.740 2.809 2.015 3.817 . 0 0 "[ . 1 . ]" 11
356 2 76 PHE HA 2 77 VAL H 3.170 . 4.550 3.560 3.539 3.581 . 0 0 "[ . 1 . ]" 11
357 2 76 PHE QB 2 77 VAL H 2.940 . 4.080 1.899 1.818 1.977 . 0 0 "[ . 1 . ]" 11
358 2 76 PHE QD 2 77 VAL H 3.270 . 4.740 2.808 2.014 3.817 . 0 0 "[ . 1 . ]" 11
359 1 77 VAL HA 1 78 ALA H 3.020 . 4.250 3.468 3.434 3.494 . 0 0 "[ . 1 . ]" 11
360 1 77 VAL HB 1 78 ALA H 2.730 . 3.670 3.541 2.859 3.742 0.072 8 0 "[ . 1 . ]" 11
361 1 77 VAL QG 1 78 ALA H 3.900 . 6.000 2.418 2.003 3.505 . 0 0 "[ . 1 . ]" 11
362 1 78 ALA H 1 79 MET H 3.040 . 4.290 2.537 2.402 2.809 . 0 0 "[ . 1 . ]" 11
363 2 77 VAL HA 2 78 ALA H 3.020 . 4.250 3.468 3.434 3.494 . 0 0 "[ . 1 . ]" 11
364 2 77 VAL HB 2 78 ALA H 2.730 . 3.670 3.542 2.859 3.741 0.071 8 0 "[ . 1 . ]" 11
365 2 77 VAL QG 2 78 ALA H 3.900 . 6.000 2.418 2.002 3.505 . 0 0 "[ . 1 . ]" 11
366 2 78 ALA H 2 79 MET H 3.040 . 4.290 2.537 2.403 2.810 . 0 0 "[ . 1 . ]" 11
367 1 78 ALA HA 1 79 MET H 3.550 . 5.300 3.558 3.519 3.581 . 0 0 "[ . 1 . ]" 11
368 1 78 ALA MB 1 79 MET H 3.210 . 4.630 2.517 2.316 2.735 . 0 0 "[ . 1 . ]" 11
369 1 79 MET H 1 80 VAL HB 3.210 . 4.630 4.668 4.625 4.699 0.069 12 0 "[ . 1 . ]" 11
370 1 79 MET H 1 80 VAL H 2.960 . 4.120 2.597 2.363 2.928 . 0 0 "[ . 1 . ]" 11
371 2 78 ALA HA 2 79 MET H 3.550 . 5.300 3.558 3.518 3.582 . 0 0 "[ . 1 . ]" 11
372 2 78 ALA MB 2 79 MET H 3.210 . 4.630 2.517 2.316 2.734 . 0 0 "[ . 1 . ]" 11
373 2 79 MET H 2 80 VAL HB 3.210 . 4.630 4.667 4.626 4.698 0.068 12 0 "[ . 1 . ]" 11
374 2 79 MET H 2 80 VAL H 2.960 . 4.120 2.596 2.364 2.928 . 0 0 "[ . 1 . ]" 11
375 1 79 MET HA 1 80 VAL H 2.730 . 3.660 3.529 3.501 3.549 . 0 0 "[ . 1 . ]" 11
376 1 79 MET QB 1 80 VAL H 2.880 . 3.960 2.756 2.078 3.434 . 0 0 "[ . 1 . ]" 11
377 2 79 MET HA 2 80 VAL H 2.730 . 3.660 3.528 3.500 3.550 . 0 0 "[ . 1 . ]" 11
378 2 79 MET QB 2 80 VAL H 2.880 . 3.960 2.756 2.077 3.435 . 0 0 "[ . 1 . ]" 11
379 1 80 VAL HA 1 81 THR H 3.250 . 4.700 3.540 3.502 3.584 . 0 0 "[ . 1 . ]" 11
380 1 80 VAL HB 1 81 THR H 3.130 . 4.460 2.599 2.279 3.079 . 0 0 "[ . 1 . ]" 11
381 2 80 VAL HA 2 81 THR H 3.250 . 4.700 3.541 3.501 3.586 . 0 0 "[ . 1 . ]" 11
382 2 80 VAL HB 2 81 THR H 3.130 . 4.460 2.599 2.280 3.081 . 0 0 "[ . 1 . ]" 11
383 1 82 THR HA 1 83 ALA H 3.330 . 4.870 3.487 3.443 3.547 . 0 0 "[ . 1 . ]" 11
384 1 82 THR MG 1 83 ALA H 3.740 . 5.680 3.933 3.601 4.281 . 0 0 "[ . 1 . ]" 11
385 2 82 THR HA 2 83 ALA H 3.330 . 4.870 3.487 3.444 3.546 . 0 0 "[ . 1 . ]" 11
386 2 82 THR MG 2 83 ALA H 3.740 . 5.680 3.933 3.601 4.281 . 0 0 "[ . 1 . ]" 11
387 1 83 ALA MB 1 84 CYS H 3.620 . 5.450 2.067 1.922 2.393 . 0 0 "[ . 1 . ]" 11
388 2 83 ALA MB 2 84 CYS H 3.620 . 5.450 2.067 1.921 2.393 . 0 0 "[ . 1 . ]" 11
389 1 85 HIS H 1 86 GLU H 3.180 . 4.560 2.777 2.685 2.877 . 0 0 "[ . 1 . ]" 11
390 2 85 HIS H 2 86 GLU H 3.180 . 4.560 2.777 2.685 2.877 . 0 0 "[ . 1 . ]" 11
391 1 86 GLU HA 1 87 PHE H 3.190 . 4.590 3.542 3.287 3.565 . 0 0 "[ . 1 . ]" 11
392 2 86 GLU HA 2 87 PHE H 3.190 . 4.590 3.541 3.286 3.564 . 0 0 "[ . 1 . ]" 11
393 1 87 PHE HA 1 88 PHE H 3.130 . 4.460 3.395 2.799 3.491 . 0 0 "[ . 1 . ]" 11
394 2 87 PHE HA 2 88 PHE H 3.130 . 4.460 3.395 2.799 3.492 . 0 0 "[ . 1 . ]" 11
395 1 88 PHE HA 1 89 GLU H 2.970 . 4.140 3.394 2.887 3.470 . 0 0 "[ . 1 . ]" 11
396 1 88 PHE QB 1 89 GLU H 3.250 . 4.700 3.193 2.912 4.056 . 0 0 "[ . 1 . ]" 11
397 2 88 PHE HA 2 89 GLU H 2.970 . 4.140 3.394 2.885 3.471 . 0 0 "[ . 1 . ]" 11
398 2 88 PHE QB 2 89 GLU H 3.250 . 4.700 3.193 2.913 4.056 . 0 0 "[ . 1 . ]" 11
399 1 90 HIS QB 1 91 GLU H 2.770 . 3.740 2.457 1.963 3.435 . 0 0 "[ . 1 . ]" 11
400 1 90 HIS H 1 91 GLU H 2.650 . 3.500 2.579 1.992 3.605 0.105 17 0 "[ . 1 . ]" 11
401 2 90 HIS QB 2 91 GLU H 2.770 . 3.740 2.457 1.962 3.436 . 0 0 "[ . 1 . ]" 11
402 2 90 HIS H 2 91 GLU H 2.650 . 3.500 2.579 1.992 3.607 0.107 17 0 "[ . 1 . ]" 11
stop_
save_
save_distance_constraint_statistics_12
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 12
_Distance_constraint_stats_list.Constraint_count 38
_Distance_constraint_stats_list.Viol_count 111
_Distance_constraint_stats_list.Viol_total 78.883
_Distance_constraint_stats_list.Viol_max 0.129
_Distance_constraint_stats_list.Viol_rms 0.0203
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0072
_Distance_constraint_stats_list.Viol_average_violations_only 0.0418
_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
3 1 THR 0.228 0.044 6 0 "[ . 1 . ]"
3 2 ARG 0.000 0.000 . 0 "[ . 1 . ]"
3 4 LYS 0.688 0.129 12 0 "[ . 1 . ]"
3 5 ILE 0.228 0.044 6 0 "[ . 1 . ]"
3 6 ASP 0.688 0.129 12 0 "[ . 1 . ]"
3 7 TRP 1.411 0.116 15 0 "[ . 1 . ]"
3 9 LYS 0.000 0.000 . 0 "[ . 1 . ]"
3 10 ILE 1.411 0.116 15 0 "[ . 1 . ]"
3 11 LEU 0.000 0.000 . 0 "[ . 1 . ]"
3 12 SER 0.000 0.000 . 0 "[ . 1 . ]"
4 1 THR 0.222 0.046 6 0 "[ . 1 . ]"
4 2 ARG 0.000 0.000 . 0 "[ . 1 . ]"
4 4 LYS 0.682 0.128 12 0 "[ . 1 . ]"
4 5 ILE 0.222 0.046 6 0 "[ . 1 . ]"
4 6 ASP 0.682 0.128 12 0 "[ . 1 . ]"
4 7 TRP 1.410 0.116 15 0 "[ . 1 . ]"
4 9 LYS 0.000 0.000 . 0 "[ . 1 . ]"
4 10 ILE 1.410 0.116 15 0 "[ . 1 . ]"
4 11 LEU 0.000 0.000 . 0 "[ . 1 . ]"
4 12 SER 0.000 0.000 . 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 3 1 THR HA 3 5 ILE H 2.900 . 4.100 3.982 2.656 4.144 0.044 6 0 "[ . 1 . ]" 12
2 4 1 THR HA 4 5 ILE H 2.900 . 4.100 3.981 2.657 4.146 0.046 6 0 "[ . 1 . ]" 12
3 3 2 ARG H 3 4 LYS H 3.280 . 4.860 3.383 2.889 3.551 . 0 0 "[ . 1 . ]" 12
4 4 2 ARG H 4 4 LYS H 3.280 . 4.860 3.383 2.888 3.550 . 0 0 "[ . 1 . ]" 12
5 3 4 LYS QB 3 6 ASP H 3.850 . 6.000 2.712 2.390 3.383 . 0 0 "[ . 1 . ]" 12
6 4 4 LYS QB 4 6 ASP H 3.850 . 6.000 2.712 2.389 3.383 . 0 0 "[ . 1 . ]" 12
7 3 4 LYS H 3 6 ASP H 2.880 . 4.050 4.059 3.901 4.179 0.129 12 0 "[ . 1 . ]" 12
8 4 4 LYS H 4 6 ASP H 2.880 . 4.050 4.059 3.900 4.178 0.128 12 0 "[ . 1 . ]" 12
9 3 7 TRP HE3 3 10 ILE MG 3.400 . 5.090 1.696 1.584 1.853 0.116 15 0 "[ . 1 . ]" 12
10 3 7 TRP HE3 3 11 LEU QD 2.920 . 4.130 2.934 2.338 3.074 . 0 0 "[ . 1 . ]" 12
11 3 7 TRP H 3 11 LEU QD 3.850 . 6.000 4.134 3.243 4.488 . 0 0 "[ . 1 . ]" 12
12 3 7 TRP HZ3 3 10 ILE MD 3.160 . 4.620 3.470 1.893 3.882 . 0 0 "[ . 1 . ]" 12
13 3 7 TRP HZ3 3 10 ILE MG 3.450 . 5.200 2.792 2.370 3.415 . 0 0 "[ . 1 . ]" 12
14 4 7 TRP HE3 4 10 ILE MG 3.400 . 5.090 1.696 1.584 1.851 0.116 15 0 "[ . 1 . ]" 12
15 4 7 TRP HE3 4 11 LEU QD 2.920 . 4.130 2.934 2.338 3.075 . 0 0 "[ . 1 . ]" 12
16 4 7 TRP H 4 11 LEU QD 3.850 . 6.000 4.134 3.243 4.488 . 0 0 "[ . 1 . ]" 12
17 4 7 TRP HZ3 4 10 ILE MD 3.160 . 4.620 3.470 1.893 3.881 . 0 0 "[ . 1 . ]" 12
18 4 7 TRP HZ3 4 10 ILE MG 3.450 . 5.200 2.792 2.370 3.414 . 0 0 "[ . 1 . ]" 12
19 3 9 LYS HA 3 12 SER QB 3.070 . 4.440 3.496 2.233 3.876 . 0 0 "[ . 1 . ]" 12
20 4 9 LYS HA 4 12 SER QB 3.070 . 4.440 3.496 2.234 3.877 . 0 0 "[ . 1 . ]" 12
21 3 7 TRP HE3 3 10 ILE HB 2.740 . 3.780 3.792 3.532 3.849 0.069 2 0 "[ . 1 . ]" 12
22 3 7 TRP HZ3 3 10 ILE HB 3.250 . 4.800 4.743 4.549 4.862 0.062 14 0 "[ . 1 . ]" 12
23 3 7 TRP HA 3 10 ILE MG 3.850 . 6.000 4.515 3.547 5.032 . 0 0 "[ . 1 . ]" 12
24 3 5 ILE QG 3 10 ILE MG 3.850 . 6.000 4.498 4.356 4.553 . 0 0 "[ . 1 . ]" 12
25 3 10 ILE MG 3 12 SER H 3.850 . 6.000 3.426 3.184 3.633 . 0 0 "[ . 1 . ]" 12
26 4 7 TRP HE3 4 10 ILE HB 2.740 . 3.780 3.792 3.530 3.850 0.070 2 0 "[ . 1 . ]" 12
27 4 7 TRP HZ3 4 10 ILE HB 3.250 . 4.800 4.743 4.548 4.862 0.062 14 0 "[ . 1 . ]" 12
28 4 7 TRP HA 4 10 ILE MG 3.850 . 6.000 4.514 3.546 5.032 . 0 0 "[ . 1 . ]" 12
29 4 5 ILE QG 4 10 ILE MG 3.850 . 6.000 4.498 4.356 4.552 . 0 0 "[ . 1 . ]" 12
30 4 10 ILE MG 4 12 SER H 3.850 . 6.000 3.426 3.185 3.634 . 0 0 "[ . 1 . ]" 12
31 3 7 TRP HZ2 3 11 LEU QD 3.180 . 4.660 3.386 2.812 3.516 . 0 0 "[ . 1 . ]" 12
32 3 7 TRP HZ3 3 11 LEU QD 3.160 . 4.620 3.256 2.827 3.460 . 0 0 "[ . 1 . ]" 12
33 4 7 TRP HZ2 4 11 LEU QD 3.180 . 4.660 3.386 2.814 3.516 . 0 0 "[ . 1 . ]" 12
34 4 7 TRP HZ3 4 11 LEU QD 3.160 . 4.620 3.256 2.827 3.460 . 0 0 "[ . 1 . ]" 12
35 3 9 LYS QD 3 12 SER QB 3.850 . 6.000 4.671 4.259 4.776 . 0 0 "[ . 1 . ]" 12
36 3 9 LYS QG 3 12 SER QB 3.850 . 6.000 4.446 3.940 4.775 . 0 0 "[ . 1 . ]" 12
37 4 9 LYS QD 4 12 SER QB 3.850 . 6.000 4.671 4.259 4.777 . 0 0 "[ . 1 . ]" 12
38 4 9 LYS QG 4 12 SER QB 3.850 . 6.000 4.446 3.941 4.774 . 0 0 "[ . 1 . ]" 12
stop_
save_
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